-ISIS- 12091012012D 30 32 0 0 0 0 0 0 0 0999 V2000 2.0792 -3.9042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5667 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -3.9875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7417 -2.7667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8625 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.1792 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 16 2 0 0 0 0 14 12 2 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 1 1 0 0 0 0 19 4 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 10 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 21 2 0 0 0 0 27 20 2 0 0 0 0 28 27 1 0 0 0 0 29 23 2 0 0 0 0 9 6 1 0 0 0 0 28 22 2 0 0 0 0 8 10 2 0 0 0 0 26 29 1 0 0 0 0 M CHG 2 1 1 30 -1 M END > (D0318) D0318 > (D0318) 3-Ethyl-2-{(1E,3E,5E)-7-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1,3,5-heptatrienyl}-1,3-benzothiazol-3-ium iodide > (D0318) 3071-70-3 > (D0318) 183-184 œC (ref. 1) > (D0318) 764.0 > (D0318) DY > (D0318) 3,3'-Diethyl-2,2'-thiatricarbocyanine iodide; Thiatricarbocyanine iodide, 3,3'-diethyl- (8CI); Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]-, iodide (8CI); 3-Ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]benzothiazolium iodide (6CI, 7CI); 3,3'-Diethylthiatricarbocyanine iodide; DTTC; DTTCI ; 3,3'-Diethyl-2,2'-thiatricarbocyanine iodide; Thiatricarbocyanine iodide, 3,3'-diethyl- (8CI); Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]-, iodide (8CI); 3-Ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]benzothiazolium iodide (6CI, 7CI); 3,3'-Diethylthiatricarbocyanine iodide; DTTC; DTTCI ; 3,3'-Diethyl-2,2'-thiatricarbocyanine iodide; Thiatricarbocyanine iodide, 3,3'-diethyl- (8CI); Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]-, iodide (8CI); 3-Ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]benzothiazolium iodide (6CI, 7CI); 3,3'-Diethylthiatricarbocyanine iodide; DTTC; DTTCI ; 3,3'-Diethyl-2,2'-thiatricarbocyanine iodide; Thiatricarbocyanine iodide, 3,3'-diethyl- (8CI); Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]-, iodide (8CI); 3-Ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]benzothiazolium iodide (6CI, 7CI); 3,3'-Diethylthiatricarbocyanine iodide; DTTC; DTTCI > (D0318) true $$$$ -ISIS- 11270914432D 36 39 0 0 0 0 0 0 0 0999 V2000 1.4250 -3.1667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7292 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 -3.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -5.1542 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 2.1292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -3.1875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 14 1 0 0 0 0 9 2 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 13 4 1 0 0 0 0 14 16 2 0 0 0 0 15 7 2 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 18 1 2 0 0 0 0 20 18 1 0 0 0 0 21 2 1 0 0 0 0 22 1 1 0 0 0 0 23 3 1 0 0 0 0 24 8 1 0 0 0 0 25 30 1 0 0 0 0 26 5 1 0 0 0 0 27 6 1 0 0 0 0 28 7 1 0 0 0 0 29 15 1 0 0 0 0 30 24 1 0 0 0 0 31 22 1 0 0 0 0 32 23 1 0 0 0 0 33 27 2 0 0 0 0 34 33 1 0 0 0 0 35 28 2 0 0 0 0 36 35 1 0 0 0 0 15 17 1 0 0 0 0 36 29 2 0 0 0 0 25 9 1 0 0 0 0 3 5 1 0 0 0 0 26 34 2 0 0 0 0 M CHG 2 1 1 19 -1 M END > (D0322) D0322 > (D0322) 4-(2-{2-Chloro-3-[2-(1-ethyl-1,4-dihydro-4-quinolinyliden)ethylidene]-1-cyclohexenyl}-1-ethenyl)-1-ethylquinolinium bromide > (D0322) 151648-23-6 > (D0322) 965.0 > (D0322) DY > (D0322) Quinolinium, 4-[(E)-2-[2-chloro-3-[(E)-2-[1-ethyl-4(1H)-quinolinylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-1-ethyl-, bromide > (D0322) true $$$$ -ISIS- 11270914432D 34 36 0 0 0 0 0 0 0 0999 V2000 3.4792 -3.5667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0167 -3.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9042 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -2.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8792 -2.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6625 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -4.7167 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.1667 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -3.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -4.7250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -5.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -4.7042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2625 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 12 2 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 16 2 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 17 1 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 2 1 0 0 0 0 23 5 1 0 0 0 0 24 5 1 0 0 0 0 25 6 1 0 0 0 0 26 6 1 0 0 0 0 27 7 1 0 0 0 0 28 8 1 0 0 0 0 29 9 1 0 0 0 0 30 10 1 0 0 0 0 31 27 2 0 0 0 0 32 28 2 0 0 0 0 33 30 2 0 0 0 0 34 31 1 0 0 0 0 9 6 1 0 0 0 0 34 29 2 0 0 0 0 8 10 2 0 0 0 0 32 33 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (D0530) D0530 > (D0530) 1,3,3-Trimethyl-2-[5-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)-1,3-pentadienyl]-3H-indolium tetrafluoroborat > (D0530) 38575-74-5 > (D0530) 637.0 > (D0530) DY > (D0530) 1,1',3,3,3',3'-Hexamethylindodicarbocyanine tetrafluoroborate, Borate(1-), tetrafluoro-, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,4-pentadienyl]-1,3,3-trimethyl-3H-indolium > (D0530) true $$$$ -ISIS- 11270914432D 36 38 0 0 0 0 0 0 0 0999 V2000 2.7417 -3.7875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7375 -3.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -2.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0667 -2.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9292 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -4.4167 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.8000 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -4.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -5.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.4167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -3.5875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1917 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 12 2 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 17 2 0 0 0 0 15 13 2 0 0 0 0 16 18 2 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 1 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 11 1 0 0 0 0 23 11 1 0 0 0 0 24 2 1 0 0 0 0 25 5 1 0 0 0 0 26 5 1 0 0 0 0 27 6 1 0 0 0 0 28 6 1 0 0 0 0 29 7 1 0 0 0 0 30 8 1 0 0 0 0 31 9 1 0 0 0 0 32 10 1 0 0 0 0 33 32 2 0 0 0 0 34 30 2 0 0 0 0 35 36 1 0 0 0 0 36 29 2 0 0 0 0 9 6 1 0 0 0 0 35 31 2 0 0 0 0 8 10 2 0 0 0 0 34 33 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (D0531) D0531 > (D0531) 1,3,3-Trimethyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)-1,3,5-heptatrienyl]-3H-indolium tetrafluoroborat > (D0531) 61575-73-3 > (D0531) 741.0 > (D0531) DY > (D0531) 1,1',3,3,3',3'-Hexamethylindotricarbocyanine tetrafluoroborate > (D0531) true $$$$ -ISIS- 11270914432D 45 49 0 0 0 0 0 0 0 0999 V2000 2.1167 -2.8125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6042 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -3.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5667 -6.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -1.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8375 -1.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5917 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -6.0792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5667 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -6.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7167 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 3 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 17 18 1 0 0 0 0 18 13 2 0 0 0 0 19 5 1 0 0 0 0 20 5 2 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 14 1 0 0 0 0 24 1 1 0 0 0 0 25 4 1 0 0 0 0 26 6 1 0 0 0 0 27 6 1 0 0 0 0 28 7 1 0 0 0 0 29 7 1 0 0 0 0 30 8 1 0 0 0 0 31 9 1 0 0 0 0 32 10 1 0 0 0 0 33 11 1 0 0 0 0 34 17 1 0 0 0 0 35 36 1 0 0 0 0 36 34 1 0 0 0 0 37 23 1 0 0 0 0 38 23 2 0 0 0 0 39 30 2 0 0 0 0 40 33 2 0 0 0 0 41 31 2 0 0 0 0 42 39 1 0 0 0 0 43 38 1 0 0 0 0 44 37 2 0 0 0 0 45 43 2 0 0 0 0 10 7 1 0 0 0 0 42 32 2 0 0 0 0 35 16 1 0 0 0 0 45 44 1 0 0 0 0 9 11 2 0 0 0 0 41 40 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (D0533) D0533 > (D0533) 1,3,3-Trimethyl-2-(2-{2-phenyl-3-[2-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)ethylidene]-1-cyclohexenyl}-1-ethenyl)-3H-indolium perchloride > (D0533) 70446-36-5 > (D0533) 265-266 œC (ref. 1) > (D0533) 754.0 > (D0533) DY > (D0533) 3H-Indolium, 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, perchlorate (9CI) > (D0533) true $$$$ -ISIS- 11270914432D 44 48 0 0 0 0 0 0 0 0999 V2000 2.1167 -2.8125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6042 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -3.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5667 -6.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -1.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8375 -1.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5917 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -6.0792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5667 -6.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7167 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 14 1 0 0 0 0 17 16 2 0 0 0 0 18 13 2 0 0 0 0 19 5 1 0 0 0 0 20 5 2 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 14 1 0 0 0 0 24 25 1 0 0 0 0 25 15 1 0 0 0 0 26 1 1 0 0 0 0 27 4 1 0 0 0 0 28 6 1 0 0 0 0 29 6 1 0 0 0 0 30 7 1 0 0 0 0 31 7 1 0 0 0 0 32 8 1 0 0 0 0 33 9 1 0 0 0 0 34 11 1 0 0 0 0 35 10 1 0 0 0 0 36 23 2 0 0 0 0 37 23 1 0 0 0 0 38 33 2 0 0 0 0 39 40 1 0 0 0 0 40 32 2 0 0 0 0 41 34 2 0 0 0 0 42 37 2 0 0 0 0 43 36 1 0 0 0 0 44 42 1 0 0 0 0 10 7 1 0 0 0 0 39 35 2 0 0 0 0 24 16 1 0 0 0 0 44 43 2 0 0 0 0 9 11 2 0 0 0 0 38 41 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (D0534) D0534 > (D0534) 1,3,3-Trimethyl-2-(2-{2-phenyl-3-[2-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)ethylidene]-1-cyclopentenyl}-1-ethenyl)-3H-indolium perchloride > (D0534) 70446-30-9 > (D0534) 255-256 œC (ref. 2) > (D0534) 785.0 > (D0534) DY > (D0534) 3H-Indolium, 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, perchlorate (9CI) > (D0534) true $$$$ -ISIS- 11270914432D 40 43 0 0 0 0 0 0 0 0999 V2000 -1.0333 -0.3542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4542 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -0.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4917 0.5333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3125 0.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5583 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -2.3750 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.0250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.6708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -2.3625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -3.1917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.3750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 17 2 0 0 0 0 15 18 2 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 1 1 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 14 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 4 1 0 0 0 0 26 5 1 0 0 0 0 27 5 1 0 0 0 0 28 6 1 0 0 0 0 29 6 1 0 0 0 0 30 7 1 0 0 0 0 31 8 1 0 0 0 0 32 9 1 0 0 0 0 33 10 1 0 0 0 0 34 17 1 0 0 0 0 35 36 1 0 0 0 0 36 34 1 0 0 0 0 37 31 2 0 0 0 0 38 39 1 0 0 0 0 39 30 2 0 0 0 0 40 33 2 0 0 0 0 6 9 1 0 0 0 0 32 38 2 0 0 0 0 18 35 1 0 0 0 0 10 8 2 0 0 0 0 40 37 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (D0642) D0642 > (D0642) 2-(2-{2-Chloro-3-[2-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolyliden)ethylidene]-1-cyclohexenyl}-1-ethenyl)-1,3,3-trimethyl-3H-indolium > (D0642) 439859-04-8 > (D0642) 775.0 > (D0642) DY > (D0642) 3H-Indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (9CI) > (D0642) true $$$$ -ISIS- 11270914432D 54 60 0 0 0 0 0 0 0 0999 V2000 2.1125 -3.3875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5875 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -3.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6917 -2.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7875 -2.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7792 -6.3292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9792 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -7.1542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6042 -6.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1417 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -2.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1542 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 15 1 0 0 0 0 13 3 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 10 1 0 0 0 0 20 9 1 0 0 0 0 21 4 1 0 0 0 0 22 8 1 0 0 0 0 23 11 1 0 0 0 0 24 8 1 0 0 0 0 25 8 2 0 0 0 0 26 8 2 0 0 0 0 27 19 1 0 0 0 0 28 30 1 0 0 0 0 29 23 2 0 0 0 0 30 21 2 0 0 0 0 31 1 1 0 0 0 0 32 22 2 0 0 0 0 33 22 1 0 0 0 0 34 14 1 0 0 0 0 35 5 1 0 0 0 0 36 6 1 0 0 0 0 37 6 1 0 0 0 0 38 7 1 0 0 0 0 39 7 1 0 0 0 0 40 32 1 0 0 0 0 41 33 2 0 0 0 0 42 41 1 0 0 0 0 43 47 1 0 0 0 0 44 17 1 0 0 0 0 45 20 2 0 0 0 0 46 19 2 0 0 0 0 47 44 1 0 0 0 0 48 27 2 0 0 0 0 49 28 2 0 0 0 0 50 42 1 0 0 0 0 51 45 1 0 0 0 0 52 46 1 0 0 0 0 53 52 2 0 0 0 0 54 49 1 0 0 0 0 9 7 1 0 0 0 0 28 20 1 0 0 0 0 51 54 2 0 0 0 0 43 18 1 0 0 0 0 11 10 2 0 0 0 0 29 27 1 0 0 0 0 53 48 1 0 0 0 0 40 42 2 0 0 0 0 M CHG 2 1 1 24 -1 M END > (D0646) D0646 > (D0646) 2-(2-{2-Chloro-3-[2-(1,1,3-trimethyl-2,3-dihydro-1H-benzo[e]indol-2-yliden)ethylidene]-1-cyclohexenyl}-1-ethenyl)-1,1,3-trimethyl-1H-benzo[e]indolium 4-methyl-1-benzenesulfonate > (D0646) 134127-48-3 > (D0646) 815.0 > (D0646) DY > (D0646) SDB 7047; EC 2117; ADS 830A; 1H-Benz[e]indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI) > (D0646) true $$$$ -ISIS- 11270914432D 42 49 0 0 0 0 0 0 0 0999 V2000 4.9125 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -1.2542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4917 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.2000 -3.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -3.7167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0667 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4875 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -1.0375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8417 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 2.0458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 21 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 11 2 0 0 0 0 14 2 1 0 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 20 7 1 0 0 0 0 21 30 1 0 0 0 0 22 17 1 0 0 0 0 23 11 1 0 0 0 0 24 5 1 0 0 0 0 25 5 2 0 0 0 0 26 5 2 0 0 0 0 27 9 2 0 0 0 0 28 9 2 0 0 0 0 29 9 1 0 0 0 0 30 23 2 0 0 0 0 31 4 1 0 0 0 0 32 16 1 0 0 0 0 33 39 1 0 0 0 0 34 12 1 0 0 0 0 35 15 1 0 0 0 0 36 19 1 0 0 0 0 37 22 1 0 0 0 0 38 41 1 0 0 0 0 39 31 1 0 0 0 0 40 32 1 0 0 0 0 41 34 1 0 0 0 0 42 37 1 0 0 0 0 3 7 1 0 0 0 0 14 15 2 0 0 0 0 19 20 2 0 0 0 0 16 33 1 0 0 0 0 40 35 1 0 0 0 0 38 22 1 0 0 0 0 21 18 2 0 0 0 0 42 36 1 0 0 0 0 M CHG 2 16 1 24 -1 M END > (S0028) S0028 > (S0028) 5-(Chlorosulfonyl)-2-(1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzenesulfonate > (S0028) 82354-19-6 > (S0028) DY > (S0028) Texas Red; Sulforhodamine 101 acid chloride; 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-[2(or 4)-(chlorosulfonyl)-4(or 2)-sulfophenyl]-2,3,6,7,12,13,16,17-octahydro-, inner salt (9CI) > (S0028) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 1.5917 -0.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.8708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0542 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 4 2 1 0 0 0 0 6 8 1 0 0 0 0 15 16 2 0 0 0 0 M END > (S0106) S0106 > (S0106) 2,3,3-Trimethyl-4,5-benzo-3H-indole > (S0106) 41532-84-7 > (S0106) DY > (S0106) 1,1,2-Trimethylbenz[e]indole; 1,1,2-Trimethyl-1H-benz[e]indole; 1H-Benzo[e]indole, 1,1,2-trimethyl- > (S0106) true $$$$ -ISIS- 11270914432D 14 16 0 0 0 0 0 0 0 0999 V2000 1.0500 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.1833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3375 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 2.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 7 2 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 14 1 0 0 0 0 14 5 1 0 0 0 0 11 13 1 0 0 0 0 4 6 1 0 0 0 0 12 8 1 0 0 0 0 M END > (S0108) S0108 > (S0108) 2,3,6,7-Tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol > (S0108) 41175-50-2 > (S0108) HC; DY > (S0108) 8-Hydroxyjulolidine > (S0108) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 1.7750 0.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 1.5583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 2 5 1 0 0 0 0 7 9 2 0 0 0 0 M END > (S0112) S0112 > (S0112) 2-Methyl-1,3-benzothiazol-5-ol > (S0112) 68867-14-1 > (S0112) HC; DY > (S0112) 2-Methylbenzothiazol-5-ol; 2-Methyl-5-hydroxybenzothiazole; 5-Hydroxy-2-methylbenzothiazole: 2-Methyl-1,3-benzothiazol-5-ol > (S0112) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 2.2167 0.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 1.4583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 2 4 1 0 0 0 0 6 8 2 0 0 0 0 M END > (S0113) S0113 > (S0113) 6-Methoxy-2-methyl-1,3-benzothiazole > (S0113) 2941-72-2 > (S0113) HC; DY > (S0113) 2-Methyl-6-methoxybenzothiazole; 6-Methoxy-2-methylbenzothiazole > (S0113) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 1.6042 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 2.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 2 5 1 0 0 0 0 7 9 2 0 0 0 0 M END > (S0114) S0114 > (S0114) 5-Methoxy-2-methyl-1,3-benzothiazole > (S0114) 2941-69-7 > (S0114) HC; DY > (S0114) 5-Methoxy-2-methylbenzothiazole > (S0114) true $$$$ -ISIS- 11270914432D 54 59 0 0 0 0 0 0 0 0999 V2000 2.7917 -2.3667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9917 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -2.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3042 -1.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5750 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5917 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -5.6875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.4167 -5.9667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7750 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -6.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8875 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -5.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -6.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1792 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -5.5917 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8750 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 19 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 2 2 0 0 0 0 16 10 1 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 25 1 0 0 0 0 20 6 1 0 0 0 0 21 11 2 0 0 0 0 22 11 2 0 0 0 0 23 12 2 0 0 0 0 24 12 2 0 0 0 0 25 29 2 0 0 0 0 26 20 2 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 30 1 1 0 0 0 0 31 34 2 0 0 0 0 32 14 1 0 0 0 0 33 16 2 0 0 0 0 34 15 1 0 0 0 0 35 3 1 0 0 0 0 36 4 1 0 0 0 0 37 4 1 0 0 0 0 38 7 1 0 0 0 0 39 7 1 0 0 0 0 40 17 1 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 43 13 1 0 0 0 0 44 14 2 0 0 0 0 45 32 2 0 0 0 0 46 31 1 0 0 0 0 47 30 1 0 0 0 0 48 35 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 44 1 0 0 0 0 52 43 2 0 0 0 0 53 46 2 0 0 0 0 54 51 2 0 0 0 0 7 8 1 0 0 0 0 13 31 1 0 0 0 0 52 53 1 0 0 0 0 9 10 2 0 0 0 0 33 32 1 0 0 0 0 45 54 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S0201) S0201 > (S0201) 1H-Benz[e]indolium, 2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (9CI) > (S0201) 3599-32-4 > (S0201) 785.0 > (S0201) DY > (S0201) Cardio Green; 4,5-Benzoindotricarbocyanine; 1H-Benz[e]indolium, 2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-, hydroxide, inner salt, sodium salt; 1H-Benz[e]indolium, 2-[7-[1,1-dimethyl-3-(4-sulfobutyl)benz[e]indolin-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-, hydroxide, inner salt, sodium salt (8CI); HWD Indocyanine Green; ICG; Indocyanin green; Indocyanine green; IR 125; NK 2611; NK 2612; Ujoviridin > (S0201) true $$$$ -ISIS- 11270914432D 25 28 0 0 0 0 0 0 0 0999 V2000 6.2417 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -2.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -3.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -4.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -4.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1167 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 17 1 0 0 0 0 14 4 2 0 0 0 0 15 13 1 0 0 0 0 16 9 1 0 0 0 0 17 16 2 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 19 2 0 0 0 0 25 18 2 0 0 0 0 7 8 1 0 0 0 0 12 11 2 0 0 0 0 13 10 2 0 0 0 0 24 25 1 0 0 0 0 M END > (S0204) S0204 > (S0204) 3-(1,3-Benzothiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one > (S0204) 38215-36-0 > (S0204) 444.0 > (S0204) DY > (S0204) Coumarin 540; 3-(2-Benzothiazolyl-7-(diethylamino)coumarin; 3-(2'-Benzothiazolyl)-7-N,N-diethylaminocoumarin; Coumarin, 3-(2-benzothiazolyl)-7-(diethylamino)- (6CI, 7CI); Coumarin 6 > (S0204) true $$$$ -ISIS- 11270914432D 21 24 0 0 0 0 0 0 0 0999 V2000 5.6250 -4.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1167 -4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -6.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 3 2 0 0 0 0 12 5 2 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 13 1 0 0 0 0 18 17 2 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 9 5 1 0 0 0 0 4 8 2 0 0 0 0 14 18 1 0 0 0 0 20 21 2 0 0 0 0 M END > (S0205) S0205 > (S0205) 4'-Phenyl-spiro[2-benzofuran-1(3H),2'(3'H)- furan]-2',3-dione > (S0205) 38183-12-9 > (S0205) 154-155 ?C (ref. 1) > (S0205) DY > (S0205) Fluram; Fluorescamine; 4-Phenylspiro[furan-2(3H),1'-phthalan]-3,3'-dione; Spiro[furan-2(3H),1'(3'H)-isobenzofuran]-3,3'-dione, 4-phenyl- (9CI); Ro 20-7234 > (S0205) true $$$$ -ISIS- 11270914432D 35 39 0 0 0 0 0 0 0 0999 V2000 4.2250 -3.0417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1667 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -3.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4167 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -1.8750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -1.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -4.6042 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 9.2917 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 8 1 0 0 0 0 15 12 2 0 0 0 0 16 10 1 0 0 0 0 17 9 1 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 1 1 0 0 0 0 22 20 1 0 0 0 0 23 16 2 0 0 0 0 24 4 1 0 0 0 0 25 13 2 0 0 0 0 26 14 2 0 0 0 0 27 15 1 0 0 0 0 28 19 2 0 0 0 0 29 20 2 0 0 0 0 30 21 1 0 0 0 0 31 24 1 0 0 0 0 32 25 1 0 0 0 0 33 26 1 0 0 0 0 34 33 2 0 0 0 0 35 32 2 0 0 0 0 7 9 1 0 0 0 0 17 22 2 0 0 0 0 29 35 1 0 0 0 0 10 8 2 0 0 0 0 23 19 1 0 0 0 0 28 34 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S0207) S0207 > (S0207) 1-Ethyl-2-{(E)-3-[1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]-2-methyl-1-propenyl}naphtho[1,2-d][1,3]thiazol-1-ium bromide > (S0207) 7423-31-6 > (S0207) 597.0 > (S0207) DY > (S0207) 1-Ethyl-2-[3-(1-ethylnaphtho[1,2d]thiazolin-2-ylidene)-2-methylpropenyl]naphtho[1,2-d]thiazolium bromide; Naphtho[1,2-d]thiazolium, 1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazolin-2-ylidene)-2-methylpropenyl]-, bromide (8CI); 4,5,4',5'-Dibenzothiacarbocyanine bromide, 3,3'-diethyl-9-methyl- (8CI); 1-Ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazolin-2-ylidene)-2-methylpropenyl]naphtho[1,2-d]thiazolium bromide (6CI, 7CI); 3,3'-Diethyl-9-methyl-4,5,4',5'-dibenzothiacarbocyanine bromide; 3,3'-Diethyl-9-methyl-4,5,4',5'-naphthothiacarbocyanine bromide; 4,5,4',5'-Dibenzo-3,3'-diethyl-9-methylthiacarbocyanine bromide; Carbocyanin DBTC; DBTC > (S0207) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 3.5000 -3.5125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8750 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -3.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6167 -2.3625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -2.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.8750 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 17 1 1 0 0 0 0 18 4 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 20 2 0 0 0 0 26 19 2 0 0 0 0 27 26 1 0 0 0 0 28 22 2 0 0 0 0 6 9 1 0 0 0 0 21 27 2 0 0 0 0 10 8 2 0 0 0 0 28 25 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S0209) S0209 > (S0209) 3-Ethyl-2-{5-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl}-1,3-benzothiazol-3-ium iodide > (S0209) 514-73-8 > (S0209) 255-256 œC (ref. 2) > (S0209) 655.0 > (S0209) DY > (S0209) 3,3'-Diethyl-2,2'-thiadicarbocyanine iodide; Benzothiazolium, 3-ethyl-2-[5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl]-, iodide (8CI); 3-Ethyl-2-[5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl]benzothiazolium iodide (6CI, 7CI); 3,3'-Diethyldithiacarbodicyanine iodide; 3,3'-Diethylthiadicarbocyanine iodide; 3-Ethyl-2-[5-[3-ethyl-2(3H)-benzothiazolylidene]-1,3-pentadienyl]benzothiazolium iodide; Abminthic; Anelmid; Anguifugan; Compound 01748; Dejo; Delvex; Di-S-C2(5); Diethylthiadicarbocyanine iodide; Dilombrin; Dilombrine; Dithiazanin iodide; Dithiazanine iodide; Dithiazine; Dithiazine (dye); DTDC; DTDCI; Eastman 7663; Netocyd; NK 136; Omni-Passin; Partel; Telmicid; Telmid; Telmide > (S0209) true $$$$ -ISIS- 11270914432D 40 43 0 0 0 0 0 0 0 0999 V2000 2.9417 -3.9042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6000 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -3.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.4125 -2.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1000 -2.8750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1750 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -5.1042 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 5.7500 -3.9167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 14 1 0 0 0 0 12 3 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 18 1 1 0 0 0 0 20 13 1 0 0 0 0 21 4 1 0 0 0 0 22 5 1 0 0 0 0 23 5 1 0 0 0 0 24 6 1 0 0 0 0 25 6 1 0 0 0 0 26 7 1 0 0 0 0 27 8 1 0 0 0 0 28 10 1 0 0 0 0 29 9 1 0 0 0 0 30 32 1 0 0 0 0 31 16 1 0 0 0 0 32 31 1 0 0 0 0 33 18 1 0 0 0 0 34 21 1 0 0 0 0 35 26 2 0 0 0 0 36 27 2 0 0 0 0 37 28 2 0 0 0 0 38 35 1 0 0 0 0 39 34 1 0 0 0 0 40 33 1 0 0 0 0 6 9 1 0 0 0 0 29 38 2 0 0 0 0 17 30 1 0 0 0 0 10 8 2 0 0 0 0 37 36 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S0220) S0220 > (S0220) 2-(2-{2-Chloro-3-[2-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-3,3-dimethyl-1-propyl-3H-indolium iodide > (S0220) 528584-83-0 > (S0220) 780.0 > (S0220) DY > (S0220) 1H-Benz[e]indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,1-dimethyl-3-propyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-propyl-, iodide (9CI) > (S0220) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 2.9500 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 1.4833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6667 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.2958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1875 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 2 2 0 0 0 0 13 3 2 0 0 0 0 14 9 1 0 0 0 0 5 6 1 0 0 0 0 8 14 2 0 0 0 0 M CHG 2 4 1 10 -1 M END > (S0226) S0226 > (S0226) 5-Nitro-1H-isoindole-1,3(2H)-dione > (S0226) 89-40-7 > (S0226) 194.5-195 ?C (ref. 1) > (S0226) AC; DY; NT > (S0226) 5-Nitroisoindole-1,3-dione; Phthalimide, 4-nitro- (6CI, 7CI, 8CI); 4-Nitrophthalimide; 5-Nitrophthalimide > (S0226) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 0.3417 -0.3875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0542 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 3 0 0 0 0 6 7 3 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 1 2 0 0 0 0 11 3 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 9 13 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (S0227) S0227 > (S0227) 3-Nitrophthalonitrile > (S0227) 51762-67-5 > (S0227) AC; DY; NT > (S0227) 2,3-Dicyanonitrobenzene; 1,2-Dicyano-3-nitrobenzene; 3-Nitrophthalonitrile > (S0227) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 1.7792 0.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 1.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 2 4 1 0 0 0 0 6 8 2 0 0 0 0 M END > (S0230) S0230 > (S0230) 2-Methyl-1,3-benzothiazol-6-ol > (S0230) 68867-18-5 > (S0230) HC; DY > (S0230) 2-Methyl-6-benzothiazolol; 6-Hydroxy-2-methylbenzothiazole > (S0230) true $$$$ -ISIS- 11270914432D 38 40 0 0 0 0 0 0 0 0999 V2000 5.3875 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -6.2542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.0917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5792 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -6.2542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1667 -7.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -4.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 10 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 12 1 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 4 1 0 0 0 0 15 8 1 0 0 0 0 16 11 2 0 0 0 0 17 13 1 0 0 0 0 18 15 2 0 0 0 0 19 14 2 0 0 0 0 20 5 1 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 5 2 0 0 0 0 24 17 2 0 0 0 0 25 18 1 0 0 0 0 26 17 1 0 0 0 0 27 7 2 0 0 0 0 28 16 1 0 0 0 0 29 12 1 0 0 0 0 30 13 2 0 0 0 0 31 19 1 0 0 0 0 32 25 1 0 0 0 0 33 26 1 0 0 0 0 34 28 1 0 0 0 0 35 27 1 0 0 0 0 36 32 1 0 0 0 0 37 35 2 0 0 0 0 38 33 1 0 0 0 0 11 9 1 0 0 0 0 8 4 2 0 0 0 0 18 19 1 0 0 0 0 30 37 1 0 0 0 0 M CHG 2 16 1 20 -1 M END > (S0238) S0238 > (S0238) N-[9-[2-(Ethoxycarbonyl)phenyl]-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-ylidene]-1-ethanaminium perchlorate > (S0238) 13161-28-9 > (S0238) 528.0 > (S0238) DY > (S0238) Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monoperchlorate (8CI); Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monoperchlorate; Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (9CI); LC 5901; Rhodamine 590 perchlorate > (S0238) true $$$$ -ISIS- 11270914432D 34 36 0 0 0 0 0 0 0 0999 V2000 -2.6083 1.3208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8667 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3542 -0.7750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 2.3708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 2.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.7750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1417 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 18 1 0 0 0 0 14 3 1 0 0 0 0 15 5 2 0 0 0 0 16 5 2 0 0 0 0 17 5 2 0 0 0 0 18 20 2 0 0 0 0 19 14 2 0 0 0 0 20 22 1 0 0 0 0 21 19 1 0 0 0 0 22 21 2 0 0 0 0 23 1 1 0 0 0 0 24 4 1 0 0 0 0 25 8 1 0 0 0 0 26 9 1 0 0 0 0 27 11 1 0 0 0 0 28 10 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 26 2 0 0 0 0 32 25 2 0 0 0 0 33 27 2 0 0 0 0 34 32 1 0 0 0 0 10 7 1 0 0 0 0 34 28 2 0 0 0 0 9 11 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 2 1 1 12 -1 M END > (S0243) S0243 > (S0243) 3-Ethyl-2-{(1E,3E,5E)-7-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1,3,5-heptatrienyl}-1,3-benzothiazol-3-ium perchlorate > (S0243) 22268-66-2 > (S0243) 760.0 > (S0243) DY > (S0243) Benzothiazolium, 3-ethyl-2-[7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl]-, perchlorate (8CI); 3,3'-Diethylthiatricarbocyanine perchlorate > (S0243) true $$$$ -ISIS- 11270914432D 21 24 0 0 0 0 0 0 0 0999 V2000 4.8167 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -3.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6750 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 10 8 1 0 0 0 0 11 7 2 0 0 0 0 12 1 1 0 0 0 0 13 2 2 0 0 0 0 14 12 2 0 0 0 0 15 4 1 0 0 0 0 16 9 1 0 0 0 0 17 20 1 0 0 0 0 18 10 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 12 1 0 0 0 0 5 3 1 0 0 0 0 8 4 1 0 0 0 0 18 19 1 0 0 0 0 10 17 1 0 0 0 0 M END > (S0244) S0244 > (S0244) 10-Acetyl-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one > (S0244) 55804-67-6 > (S0244) 452.0 > (S0244) AK; HC; DY > (S0244) Coumarin 334; C 334; 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 10-acetyl-2,3,6,7-tetrahydro- (9CI); Coumarin 521 > (S0244) true $$$$ -ISIS- 11270914432D 23 26 0 0 0 0 0 0 0 0999 V2000 6.8042 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -4.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6625 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 9 2 0 0 0 0 9 12 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 7 2 0 0 0 0 13 2 2 0 0 0 0 14 10 2 0 0 0 0 15 4 1 0 0 0 0 16 10 1 0 0 0 0 17 9 1 0 0 0 0 18 11 1 0 0 0 0 19 21 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 23 22 1 0 0 0 0 5 3 1 0 0 0 0 8 4 1 0 0 0 0 18 20 1 0 0 0 0 11 19 1 0 0 0 0 M END > (S0245) S0245 > (S0245) Ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate > (S0245) 55804-66-5 > (S0245) 436.0 > (S0245) AC; HC; DY > (S0245) Coumarin 314; C 314; 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester (9CI); Coumarin 504 > (S0245) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 1.4792 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -1.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.6292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -2.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 14 12 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 10 1 0 0 0 0 18 10 2 0 0 0 0 19 16 1 0 0 0 0 20 15 2 0 0 0 0 21 18 1 0 0 0 0 22 17 2 0 0 0 0 23 21 2 0 0 0 0 24 19 2 0 0 0 0 11 14 1 0 0 0 0 24 20 1 0 0 0 0 23 22 1 0 0 0 0 M END > (S0246) S0246 > (S0246) N-({3-[Anilinomethylidene]-2-chloro-1-cyclohexen-1-yl}methylidene)aniline hydrochloride > (S0246) 63857-00-1 > (S0246) DY > (S0246) Benzenamine, N-[[2-chloro-3-[(phenylamino)methylene]-1-cyclohexen-1-yl]methylene]-, monohydrochloride (9CI) > (S0246) true $$$$ -ISIS- 11270914432D 30 32 0 0 0 0 0 0 0 0999 V2000 3.5375 -3.5167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5792 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -3.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7667 -2.4417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -2.3625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.4375 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 3.3792 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2167 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 17 1 1 0 0 0 0 18 4 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 10 1 0 0 0 0 22 9 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 20 2 0 0 0 0 26 19 2 0 0 0 0 27 21 2 0 0 0 0 28 26 1 0 0 0 0 29 24 1 0 0 0 0 30 23 1 0 0 0 0 6 9 1 0 0 0 0 22 28 2 0 0 0 0 10 8 2 0 0 0 0 27 25 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S0247) S0247 > (S0247) 3-Propyl-2-{5-[3-propyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl}-1,3-benzothiazol-3-ium iodide > (S0247) 53213-94-8 > (S0247) 654.0 > (S0247) DY > (S0247) 3,3'-Dipropyl-2,2'-thiadicarbocyanine iodide; benzothiazol-3-ium, 3-propyl-2-[(1E,3E)-5-[3-propyl-2(3H)-benzothiazolylidene]-1,3-pentadienyl]-, iodide; 3,3'-Dipropylthiadicarbocyanine iodide; 3,3'-Dipropylthiadicarbocyanine iodide; Di-S-C3-5 > (S0247) true $$$$ -ISIS- 11270914432D 32 34 0 0 0 0 0 0 0 0999 V2000 -1.1833 1.4750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1917 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 -0.8417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 2.6250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.6458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.8417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4792 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 18 1 0 0 0 0 14 3 1 0 0 0 0 15 5 2 0 0 0 0 16 5 2 0 0 0 0 17 5 2 0 0 0 0 18 20 2 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 1 1 0 0 0 0 22 4 1 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 24 2 0 0 0 0 30 23 2 0 0 0 0 31 30 1 0 0 0 0 32 26 2 0 0 0 0 7 10 1 0 0 0 0 25 31 2 0 0 0 0 11 9 2 0 0 0 0 32 29 1 0 0 0 0 M CHG 2 1 1 12 -1 M END > (S0248) S0248 > (S0248) 3-Ethyl-2-[5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl]benzothiazolium perchlorate > (S0248) 22268-65-1 > (S0248) DY > (S0248) 3,3'-Diethyl-2,2'-thiadicarbocyanine perchlorate; Benzothiazolium, 3-ethyl-2-[5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl]-, perchlorate (8CI); 3-Ethyl-2-[5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl]benzothiazolium perchlorate (6CI) > (S0248) true $$$$ -ISIS- 11270914432D 13 12 0 0 0 0 0 0 0 0999 V2000 1.8667 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 5 2 0 0 0 0 8 10 2 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 13 3 1 0 0 0 0 4 2 1 0 0 0 0 8 6 1 0 0 0 0 M END > (S0249) S0249 > (S0249) 2-Methyl-1,3-benzothiazol-6-amine dihydrochloride > (S0249) 32770-99-3 > (S0249) AM; HC; DY > (S0249) 2-Methyl-5-aminobenzothiazole dihydrochloride; Benzothiazole, 5-amino-2-methyl-, dihydrochloride (8CI); 6-Benzothiazolamine, 2-methyl-, dihydrochloride > (S0249) true $$$$ -ISIS- 11270914432D 25 28 0 0 0 0 0 0 0 0999 V2000 2.3792 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -1.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -2.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -3.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2417 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 6 1 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 17 2 0 0 0 0 14 4 2 0 0 0 0 15 13 1 0 0 0 0 16 9 2 0 0 0 0 17 16 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 19 2 0 0 0 0 25 18 2 0 0 0 0 7 8 1 0 0 0 0 12 11 2 0 0 0 0 13 10 1 0 0 0 0 25 24 1 0 0 0 0 M END > (S0253) S0253 > (S0253) 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one > (S0253) 27425-55-4 > (S0253) 438.0 > (S0253) HC; DY > (S0253) C.I. 551200; 3-(2-Benzimidazolyl)-7-(diethylamino)coumarin; Coumarin, 3-(2-benzimidazolyl)-7-(diethylamino)- (6CI, 7CI, 8CI); C.I. Disperse Yellow 82; C.I. Solvent Yellow 145; C.I. Solvent Yellow 185; Coumarin 535; Coumarin 7; Disperse Yellow 82; Disperse Yellow 8GFF; K 7; Kayaset Yellow SF-G; Keystone Fluorescent Yellow 10G; NSC 303254; Oracet Yellow 8GF; Polycron Brilliant Yellow 10GF; Setaron Brilliant Flavine 8GFF; Solvent Yellow 145; Solvent Yellow 185; Sumikaron Brilliant Flavine S 10G; Terasil Brilliant Flavine 8GFF; Terasil Flavine 8GFF > (S0253) true $$$$ -ISIS- 07201111452D 20 23 0 0 0 0 0 0 0 0999 V2000 5.4417 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -3.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -3.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1542 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -1.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -3.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 1 2 0 0 0 0 9 12 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 7 2 0 0 0 0 13 11 3 0 0 0 0 14 5 2 0 0 0 0 15 3 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 20 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 17 19 1 0 0 0 0 10 18 1 0 0 0 0 M END > (S0254) S0254 > (S0254) 11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonitrile > (S0254) 55804-68-7 > (S0254) HC; DY > (S0254) true $$$$ -ISIS- 11270914432D 21 24 0 0 0 0 0 0 0 0999 V2000 7.1667 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0250 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 9 2 0 0 0 0 9 12 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 7 2 0 0 0 0 13 2 2 0 0 0 0 14 10 2 0 0 0 0 15 4 1 0 0 0 0 16 10 1 0 0 0 0 17 9 1 0 0 0 0 18 21 1 0 0 0 0 19 11 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 5 3 1 0 0 0 0 8 4 1 0 0 0 0 19 20 1 0 0 0 0 11 18 1 0 0 0 0 M END > (S0255) S0255 > (S0255) 11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid > (S0255) 55804-65-4 > (S0255) 443.0 > (S0255) AC; HC; DY > (S0255) Coumarin 519; Coumarin 343 > (S0255) true $$$$ -ISIS- 11270914432D 32 34 0 0 0 0 0 0 0 0999 V2000 0.4167 -2.2917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6750 -2.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8875 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -1.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0875 -1.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1333 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -3.5042 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 0.2375 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 11 2 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 16 2 0 0 0 0 14 12 2 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 19 1 1 0 0 0 0 20 2 1 0 0 0 0 21 5 1 0 0 0 0 22 5 1 0 0 0 0 23 6 1 0 0 0 0 24 6 1 0 0 0 0 25 7 2 0 0 0 0 26 8 2 0 0 0 0 27 10 2 0 0 0 0 28 9 2 0 0 0 0 29 26 1 0 0 0 0 30 25 1 0 0 0 0 31 30 2 0 0 0 0 32 27 1 0 0 0 0 9 6 1 0 0 0 0 31 28 1 0 0 0 0 8 10 1 0 0 0 0 29 32 2 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S0256) S0256 > (S0256) 1,3,3-Trimethyl-2-[7-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3H-indolium iodide > (S0256) 19764-96-6 > (S0256) 204-206 œC (ref. 2) > (S0256) 740.0 > (S0256) DY > (S0256) 1,1',3,3,3',3'-Hexamethyl-2,2'-indotricarbocyanine iodide; 3H-Indolium, 1,3,3-trimethyl-2-[7-(1,3,3-trimethyl-2-indolinylidene)-1,3,5-heptatrienyl]-, iodide (8CI); 1,1,3,3,3',3'-Hexamethylindotricarbocyanine iodide; 1,1',3,3,3',3'-Hexamethylindoletricarbocyanine iodide; 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide; 1,3,3,1',3',3'-Hexamethyl-2,2'-indotricarbocyanine iodide; 1,3,3,1',3',3'-Hexamethylindoletricarbocyanine iodide; 2-[7-(1,3,3-Trimethylindoline-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indolium iodide; HEXA; Hexacyanin 3; Hexacyanine 3; HITC; HITCI; LC 8500 > (S0256) true $$$$ -ISIS- 11270914432D 36 38 0 0 0 0 0 0 0 0999 V2000 2.1792 -4.0042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4417 -3.9750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6542 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -6.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -2.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8542 -2.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -6.2750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9375 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -5.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -7.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 13 2 0 0 0 0 4 1 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 18 1 0 0 0 0 14 4 1 0 0 0 0 15 5 2 0 0 0 0 16 5 2 0 0 0 0 17 5 2 0 0 0 0 18 20 2 0 0 0 0 19 14 2 0 0 0 0 20 22 1 0 0 0 0 21 19 1 0 0 0 0 22 21 2 0 0 0 0 23 1 1 0 0 0 0 24 2 1 0 0 0 0 25 6 1 0 0 0 0 26 6 1 0 0 0 0 27 7 1 0 0 0 0 28 7 1 0 0 0 0 29 8 2 0 0 0 0 30 9 2 0 0 0 0 31 11 2 0 0 0 0 32 10 2 0 0 0 0 33 30 1 0 0 0 0 34 29 1 0 0 0 0 35 34 2 0 0 0 0 36 31 1 0 0 0 0 10 7 1 0 0 0 0 35 32 1 0 0 0 0 9 11 1 0 0 0 0 33 36 2 0 0 0 0 M CHG 2 1 1 12 -1 M END > (S0257) S0257 > (S0257) 1,3,3-Trimethyl-2-[7-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3H-indolium perchlorate > (S0257) 16595-48-5 > (S0257) 740.0 > (S0257) DY > (S0257) 1,1',3,3,3',3'-Hexamethyl-2,2'-indotricarbocyanine perchlorate; 3H-Indolium, 1,3,3-trimethyl-2-[7-(1,3,3-trimethyl-2-indolinylidene)-1,3,5-heptatrienyl]-, monoperchlorate (8CI); 1,1,3,3,3',3'-Hexamethylindotricarbocyanine perchlorate; HITCP > (S0257) true $$$$ -ISIS- 11270914432D 38 42 0 0 0 0 0 0 0 0999 V2000 1.9667 -4.2917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -4.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9292 -3.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9417 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -3.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -5.2750 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.8417 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 15 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 2 2 0 0 0 0 14 10 2 0 0 0 0 15 17 1 0 0 0 0 16 6 1 0 0 0 0 17 19 2 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 20 22 2 0 0 0 0 21 12 1 0 0 0 0 22 13 1 0 0 0 0 23 14 1 0 0 0 0 25 1 1 0 0 0 0 26 3 1 0 0 0 0 27 4 1 0 0 0 0 28 4 1 0 0 0 0 29 7 1 0 0 0 0 30 7 1 0 0 0 0 31 12 1 0 0 0 0 32 11 1 0 0 0 0 33 20 1 0 0 0 0 34 21 1 0 0 0 0 35 32 2 0 0 0 0 36 31 2 0 0 0 0 37 36 1 0 0 0 0 38 33 2 0 0 0 0 8 7 1 0 0 0 0 11 20 1 0 0 0 0 38 35 1 0 0 0 0 10 9 1 0 0 0 0 23 21 2 0 0 0 0 37 34 2 0 0 0 0 M CHG 2 1 1 24 -1 M END > (S0258) S0258 > (S0258) 1,1,3-Trimethyl-2-[5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-1H-benzo[e]indolium iodide > (S0258) 56289-64-6 > (S0258) 676.0 > (S0258) DY > (S0258) 1,3,3,1',3',3'-Hexamethyl-4,5,4',5'-dibenzoindodicarbocyanine iodide; IR-676 iodide, 1,1',3,3,3',3'-Hexamethyl-4,4',5,5'-dibenzoindodicarbocyanine iodide > (S0258) true $$$$ -ISIS- 11270914432D 40 43 0 0 0 0 0 0 0 0999 V2000 7.7125 -5.1167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9125 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -5.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4625 -6.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -3.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3792 -3.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5167 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -6.7125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6375 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -7.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.1167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 3 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 5 1 0 0 0 0 20 5 2 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 1 1 0 0 0 0 24 14 1 0 0 0 0 25 4 1 0 0 0 0 26 6 1 0 0 0 0 27 6 1 0 0 0 0 28 7 1 0 0 0 0 29 7 1 0 0 0 0 30 8 1 0 0 0 0 31 9 1 0 0 0 0 32 11 1 0 0 0 0 33 10 1 0 0 0 0 34 36 1 0 0 0 0 35 17 1 0 0 0 0 36 35 1 0 0 0 0 37 31 2 0 0 0 0 38 30 2 0 0 0 0 39 38 1 0 0 0 0 40 32 2 0 0 0 0 7 10 1 0 0 0 0 33 39 2 0 0 0 0 18 34 1 0 0 0 0 11 9 2 0 0 0 0 37 40 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S0259) S0259 > (S0259) 2-(2-{2-Chloro-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate > (S0259) 102185-03-5 > (S0259) DY > (S0259) IR 786; CY 2; IR-786 perchlorate > (S0259) true $$$$ -ISIS- 11270914432D 36 39 0 0 0 0 0 0 0 0999 V2000 8.6875 -3.5500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8875 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -3.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1292 -2.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3542 -2.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4917 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -4.7417 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 8.0750 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -3.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 14 1 0 0 0 0 12 3 1 0 0 0 0 13 17 2 0 0 0 0 14 16 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 19 1 1 0 0 0 0 20 13 1 0 0 0 0 21 4 1 0 0 0 0 22 5 1 0 0 0 0 23 5 1 0 0 0 0 24 6 1 0 0 0 0 25 6 1 0 0 0 0 26 7 1 0 0 0 0 27 8 1 0 0 0 0 28 10 1 0 0 0 0 29 9 1 0 0 0 0 30 32 1 0 0 0 0 31 17 1 0 0 0 0 32 31 1 0 0 0 0 33 27 2 0 0 0 0 34 26 2 0 0 0 0 35 34 1 0 0 0 0 36 28 2 0 0 0 0 6 9 1 0 0 0 0 29 35 2 0 0 0 0 16 30 1 0 0 0 0 10 8 2 0 0 0 0 33 36 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S0260) S0260 > (S0260) 2-(2-{2-Chloro-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium iodide > (S0260) 56289-67-9 > (S0260) DY > (S0260) 1,1',3,3,3',3'-Hexamethyl-11-chloro-10,12-trimethyleneindotricarbocyanine iodide > (S0260) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 5.6125 -3.3417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3250 -3.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0417 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -4.3667 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.8917 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 11 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 5 2 0 0 0 0 15 7 1 0 0 0 0 16 15 2 0 0 0 0 17 1 1 0 0 0 0 18 2 1 0 0 0 0 19 4 2 0 0 0 0 20 5 1 0 0 0 0 21 9 2 0 0 0 0 22 13 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 20 2 0 0 0 0 27 21 1 0 0 0 0 28 26 1 0 0 0 0 16 13 1 0 0 0 0 22 28 2 0 0 0 0 4 9 1 0 0 0 0 25 27 2 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S0261) S0261 > (S0261) 1-Ethyl-2-{3-[1-ethyl-2(1H)-quinolinylidene]-1-propenyl}quinolinium iodide > (S0261) 605-91-4 > (S0261) 285-286 œC (ref. 4) > (S0261) 614.0 > (S0261) DY > (S0261) 1,1'-Diethyl-2,2'-carbocyanine iodide; Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]-, iodide (8CI); Pinacyanol (6CI); 1,1'-Diethyl-2,2'-quinocarbocyanine iodide; 1-Ethyl-2-[3-[1-ethyl-2(1H)-quinolylidene]-1-propenyl]quinolinium iodide; G 1700; NK 3; NK 3 (dye); Pinacyanol iodide; Pinacyanole > (S0261) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 3.6042 -3.8000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8792 -3.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1750 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -5.5542 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 4.3167 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0167 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0167 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 11 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 5 2 0 0 0 0 15 7 1 0 0 0 0 16 15 2 0 0 0 0 17 1 1 0 0 0 0 18 2 1 0 0 0 0 19 4 1 0 0 0 0 20 5 1 0 0 0 0 21 9 1 0 0 0 0 22 13 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 19 2 0 0 0 0 26 20 2 0 0 0 0 27 21 2 0 0 0 0 28 26 1 0 0 0 0 16 13 1 0 0 0 0 28 22 2 0 0 0 0 4 9 2 0 0 0 0 27 25 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S0263) S0263 > (S0263) 1-Ethyl-2-{3-[1-ethyl-2(1H)-quinolinylidene]-1-propenyl}quinolinium bromide > (S0263) 2670-67-9 > (S0263) 607.0 > (S0263) DY > (S0263) Quinolinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]-, bromide (8CI); 2,2'-Carbocyanine bromide, 1,1'-diethyl- (8CI); 1-Ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)propenyl]quinolinium bromide (6CI, 7CI); 1,1'-Diethyl-2,2'-carbocyanine bromide > (S0263) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 3.5625 -4.0792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1792 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -4.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2667 -2.9167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.9250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -5.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 3.3917 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 15 1 1 0 0 0 0 16 4 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 10 1 0 0 0 0 20 9 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 18 2 0 0 0 0 24 17 2 0 0 0 0 25 24 1 0 0 0 0 26 19 2 0 0 0 0 9 6 1 0 0 0 0 25 20 2 0 0 0 0 8 10 2 0 0 0 0 26 23 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S0264) S0264 > (S0264) 3-Ethyl-2-{3-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1-propenyl}-1,3-benzothiazol-3-ium iodide > (S0264) 905-97-5 > (S0264) 267-268 ?C (ref. 1) > (S0264) 560.0 > (S0264) DY > (S0264) Thiacarbocyanine iodide, 3,3'-diethyl- (8CI); Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-, iodide (8CI); 3-Ethyl-2-[(3-ethyl-2-benzothiazolinylidene)propenyl]benzothiazolium iodide (6CI); 3,3'-Diethyl-2,2'-thiacarbocyanine iodide; 3,3'-Diethylbenzothiazoliumcarbocyanine iodide; 3,3'-Diethylthiacarbocyanine iodide; D 283; DTCI; LC 8760; NK 180; NK 180 (dye); NK 76; Thiacarbocyanine iodide > (S0264) true $$$$ -ISIS- 11270914432D 14 16 0 0 0 0 0 0 0 0999 V2000 1.5792 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -0.4667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 5 3 1 0 0 0 0 7 9 1 0 0 0 0 14 12 2 0 0 0 0 M END > (S0277) S0277 > (S0277) 2-Methylnaphtho[1,2-d][1,3]thiazole > (S0277) 2682-45-3 > (S0277) HC; DY > (S0277) 2-Methylnaphtho[1,2-d]thiazole; 2-Methyl-b-naphthothiazole; 2-Methyl-b-naphthiazole > (S0277) true $$$$ -ISIS- 11270914432D 42 49 0 0 0 0 0 0 0 0999 V2000 6.4500 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -3.3917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0167 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -0.9250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.7375 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -5.8542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5917 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -5.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0125 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -3.8042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7375 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 21 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 11 2 0 0 0 0 14 2 1 0 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 17 2 0 0 0 0 20 7 2 0 0 0 0 21 29 1 0 0 0 0 22 17 1 0 0 0 0 23 11 1 0 0 0 0 24 5 1 0 0 0 0 25 5 2 0 0 0 0 26 5 2 0 0 0 0 27 9 2 0 0 0 0 28 9 2 0 0 0 0 29 23 2 0 0 0 0 30 9 1 0 0 0 0 31 4 1 0 0 0 0 32 39 1 0 0 0 0 33 16 1 0 0 0 0 34 12 1 0 0 0 0 35 15 1 0 0 0 0 36 19 1 0 0 0 0 37 22 1 0 0 0 0 38 41 1 0 0 0 0 39 31 1 0 0 0 0 40 33 1 0 0 0 0 41 34 1 0 0 0 0 42 37 1 0 0 0 0 3 7 1 0 0 0 0 15 14 2 0 0 0 0 19 20 1 0 0 0 0 16 32 1 0 0 0 0 35 40 1 0 0 0 0 22 38 1 0 0 0 0 18 21 2 0 0 0 0 36 42 1 0 0 0 0 M CHG 2 16 1 24 -1 M END > (S0278) S0278 > (S0278) 2-(1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-Pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)-5-sulfobenzenesulfonate > (S0278) 123333-78-8 > (S0278) 576.0 > (S0278) HC; DY > (S0278) 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-(2,4-disulfophenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt, hydrate (9CI) > (S0278) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 3.6125 -1.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0625 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 4 2 0 0 0 0 16 5 2 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 18 1 0 0 0 0 22 17 2 0 0 0 0 23 21 2 0 0 0 0 5 3 1 0 0 0 0 19 16 1 0 0 0 0 23 22 1 0 0 0 0 M END > (S1013) S1013 > (S1013) (2E,4E)-1-phenyl-4-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)but-2-en-1-one > (S1013) 14575-25-8 > (S1013) 163-164 ?C > (S1013) 460.0 > (S1013) DY > (S1013) Crotonophenone, 4-(1,3,3-trimethyl-2-indolinylidene)- (8CI); 2-Buten-1-one, 4-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-phenyl- (9CI) > (S1013) true $$$$ -ISIS- 11270914432D 31 34 0 0 0 0 0 0 0 0999 V2000 7.0417 0.5458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5917 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -0.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -2.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7917 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4750 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 1.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 7 1 0 0 0 0 7 13 2 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 3 2 0 0 0 0 13 16 1 0 0 0 0 14 4 2 0 0 0 0 15 10 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 1 1 0 0 0 0 19 6 1 0 0 0 0 20 8 1 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 11 1 0 0 0 0 24 17 2 0 0 0 0 25 17 1 0 0 0 0 26 18 1 0 0 0 0 27 22 2 0 0 0 0 28 23 2 0 0 0 0 29 24 1 0 0 0 0 30 25 2 0 0 0 0 31 30 1 0 0 0 0 2 5 1 0 0 0 0 31 29 2 0 0 0 0 9 11 2 0 0 0 0 27 28 1 0 0 0 0 M END > (S1014) S1014 > (S1014) 3-ethyl-5-[(E,2E)-1-phenyl-4-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-2-butenylidene]-2-thioxo-1,3-thiazolidin-4-one > (S1014) 14664-55-2 > (S1014) 239-240 ?C > (S1014) 575.0 > (S1014) HC; DY > (S1014) Rhodanine, 3-ethyl-5-[1-phenyl-4-(1,3,3-trimethyl-2-indolinylidene)-2-butenylidene]- (8CI) > (S1014) true $$$$ -ISIS- 07201111452D 21 23 0 0 0 0 0 0 0 0999 V2000 4.8917 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -2.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5917 -0.9542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0417 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 13 2 0 0 0 0 18 14 2 0 0 0 0 19 16 1 0 0 0 0 20 15 2 0 0 0 0 21 19 2 0 0 0 0 5 4 2 0 0 0 0 18 17 1 0 0 0 0 20 21 1 0 0 0 0 M END > (S1018) S1018 > (S1018) (2E,4Z)-4-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1-phenylbut-2-en-1-one > (S1018) 108717-10-8 > (S1018) DY > (S1018) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 4.4292 -3.4167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1542 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -1.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5000 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -4.4167 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.3292 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 8 2 0 0 0 0 11 12 1 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 16 1 1 0 0 0 0 17 9 2 0 0 0 0 18 17 1 0 0 0 0 19 17 1 0 0 0 0 20 10 1 0 0 0 0 21 11 1 0 0 0 0 22 11 1 0 0 0 0 23 16 1 0 0 0 0 5 4 1 0 0 0 0 18 13 2 0 0 0 0 14 10 1 0 0 0 0 M CHG 2 1 1 15 -1 M END > (S1020) S1020 > (S1020) 5-chloro-3-ethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide > (S1020) 124145-84-2 > (S1020) 231-232 ?C > (S1020) HC; DY > (S1020) Benzothiazolium, 5-chloro-3-ethyl-2-[(3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]- (9CI) > (S1020) true $$$$ -ISIS- 11270914432D 35 39 0 0 0 0 0 0 0 0999 V2000 1.9167 -2.0292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3292 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -1.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4750 -0.6292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.7917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1708 -3.0625 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.8500 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4583 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 14 2 0 0 0 0 8 1 1 0 0 0 0 9 16 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 17 1 0 0 0 0 15 7 1 0 0 0 0 16 15 2 0 0 0 0 17 11 2 0 0 0 0 18 21 1 0 0 0 0 20 1 1 0 0 0 0 21 24 1 0 0 0 0 22 18 1 0 0 0 0 23 22 1 0 0 0 0 24 17 1 0 0 0 0 25 4 1 0 0 0 0 26 8 1 0 0 0 0 27 10 1 0 0 0 0 28 13 1 0 0 0 0 29 12 1 0 0 0 0 30 20 1 0 0 0 0 31 25 1 0 0 0 0 32 26 2 0 0 0 0 33 27 2 0 0 0 0 34 32 1 0 0 0 0 35 28 2 0 0 0 0 12 6 1 0 0 0 0 34 29 2 0 0 0 0 7 18 1 0 0 0 0 23 16 1 0 0 0 0 10 13 2 0 0 0 0 35 33 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1021) S1021 > (S1021) 3-ethyl-2-{[7-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl}-1,3-benzothiazol-3-ium iodide > (S1021) 19208-25-4 > (S1021) 163-164 ?C > (S1021) 460.0 > (S1021) HC; DY > (S1021) 3,3'-Diethyl-9,11,13-(penta-1'',3'',5''-triyl)thiacarbocyanine iodide; 3,3'-Diethyl-9,11,13(penta-1'',3'',5''-triyl)-thiatricarbocyanine iodide; Benzothiazolium, 3-ethyl-2-[[7-[(3-ethyl-2-benzothiazolinylidene)methyl]-4,4a,5,6-tetrahydro-2(3H)-naphthylidene]methyl]-, iodide (8CI) > (S1021) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 0.3292 -3.5917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6750 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4583 -3.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2333 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -2.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -2.4375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -1.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2042 -1.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3750 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -5.1042 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 0.1750 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0875 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6042 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9042 -1.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -2.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 13 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 18 1 0 0 0 0 16 14 1 0 0 0 0 17 16 2 0 0 0 0 18 24 2 0 0 0 0 19 5 1 0 0 0 0 20 8 1 0 0 0 0 21 31 1 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 24 23 1 0 0 0 0 25 17 1 0 0 0 0 26 14 1 0 0 0 0 27 21 1 0 0 0 0 28 10 1 0 0 0 0 29 11 1 0 0 0 0 30 22 1 0 0 0 0 31 18 1 0 0 0 0 33 1 1 0 0 0 0 34 20 2 0 0 0 0 35 19 2 0 0 0 0 36 4 1 0 0 0 0 37 35 1 0 0 0 0 38 29 2 0 0 0 0 39 34 1 0 0 0 0 40 35 1 0 0 0 0 41 22 1 0 0 0 0 42 21 1 0 0 0 0 43 21 1 0 0 0 0 44 22 1 0 0 0 0 45 33 1 0 0 0 0 46 36 1 0 0 0 0 10 7 1 0 0 0 0 37 28 2 0 0 0 0 30 17 1 0 0 0 0 27 13 1 0 0 0 0 8 11 2 0 0 0 0 38 34 1 0 0 0 0 M CHG 2 1 1 32 -1 M END > (S1024) S1024 > (S1024) 5-chloro-2-({3-[(E)-3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol -3-ium iodide > (S1024) 108626-72-8 > (S1024) 194-196 ?C > (S1024) 990.0 > (S1024) HC; DY > (S1024) 5-Chloro-2-[[3-[3-[3-[(5-chloro-3-ethyl-2-benzothiazolinylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-ethylbenzothiazolium iodide (6CI) > (S1024) true $$$$ -ISIS- 11270914432D 39 44 0 0 0 0 0 0 0 0999 V2000 1.8042 -3.3250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5542 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -3.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.1875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -2.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -4.7667 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 0.0292 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4375 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 10 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 2 0 0 0 0 9 14 2 0 0 0 0 10 16 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 7 1 0 0 0 0 14 17 1 0 0 0 0 15 9 1 0 0 0 0 16 15 2 0 0 0 0 17 12 2 0 0 0 0 18 5 1 0 0 0 0 19 25 1 0 0 0 0 20 8 1 0 0 0 0 22 18 1 0 0 0 0 23 1 1 0 0 0 0 24 22 1 0 0 0 0 25 28 1 0 0 0 0 26 19 1 0 0 0 0 27 26 1 0 0 0 0 28 17 1 0 0 0 0 29 4 1 0 0 0 0 30 11 1 0 0 0 0 31 13 1 0 0 0 0 32 18 2 0 0 0 0 33 22 2 0 0 0 0 34 23 1 0 0 0 0 35 29 1 0 0 0 0 36 30 2 0 0 0 0 37 31 2 0 0 0 0 38 32 1 0 0 0 0 39 38 2 0 0 0 0 8 6 1 0 0 0 0 24 20 2 0 0 0 0 39 33 1 0 0 0 0 9 19 1 0 0 0 0 27 16 1 0 0 0 0 11 13 2 0 0 0 0 37 36 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1025) S1025 > (S1025) 1-ethyl-2-{[7-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium iodide > (S1025) 19208-27-6 > (S1025) 175-177 ?C > (S1025) 760.0 > (S1025) HC; DY > (S1025) Benzothiazolium, 3-ethyl-2-[[7-[(1-ethylnaphtho[1,2-d]thiazolin-2-ylidene)methyl]-4,4a,5,6-tetrahydro-2(3H)-naphthylidene)methyl]-, iodide (8CI) > (S1025) true $$$$ -ISIS- 11270914432D 37 41 0 0 0 0 0 0 0 0999 V2000 3.5125 -2.9917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9667 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 -3.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9125 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -1.9292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -1.7875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3000 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9792 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1167 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -1.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8042 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -4.1417 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 3.4000 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4375 -2.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 14 2 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 17 1 0 0 0 0 15 9 1 0 0 0 0 16 15 2 0 0 0 0 17 13 2 0 0 0 0 18 5 1 0 0 0 0 19 8 1 0 0 0 0 20 25 1 0 0 0 0 21 10 1 0 0 0 0 22 11 1 0 0 0 0 24 1 1 0 0 0 0 25 29 1 0 0 0 0 26 20 1 0 0 0 0 27 19 2 0 0 0 0 28 18 2 0 0 0 0 29 17 1 0 0 0 0 30 26 1 0 0 0 0 31 4 1 0 0 0 0 32 28 1 0 0 0 0 33 22 2 0 0 0 0 34 27 1 0 0 0 0 35 28 1 0 0 0 0 36 24 1 0 0 0 0 37 31 1 0 0 0 0 10 7 1 0 0 0 0 32 21 2 0 0 0 0 9 20 1 0 0 0 0 30 16 1 0 0 0 0 8 11 2 0 0 0 0 33 27 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1030) S1030 > (S1030) 5-chloro-2-{[7-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl}-3-ethyl-1,3-benzothiazol-3-ium iodide > (S1030) none > (S1030) 244-246 ?C > (S1030) 749.0 > (S1030) HC; DY > (S1030) true $$$$ -ISIS- 11270914432D 43 47 0 0 0 0 0 0 0 0999 V2000 4.1292 -3.3375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5667 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -3.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5167 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -2.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8917 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5417 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7125 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -2.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8792 -5.1417 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.0500 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -0.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3667 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 17 2 0 0 0 0 12 5 1 0 0 0 0 13 7 1 0 0 0 0 14 20 1 0 0 0 0 15 3 1 0 0 0 0 16 11 1 0 0 0 0 17 21 1 0 0 0 0 18 9 1 0 0 0 0 19 10 1 0 0 0 0 20 16 2 0 0 0 0 21 15 2 0 0 0 0 22 13 2 0 0 0 0 23 12 2 0 0 0 0 24 19 2 0 0 0 0 25 23 1 0 0 0 0 26 29 1 0 0 0 0 28 1 1 0 0 0 0 29 32 1 0 0 0 0 30 26 1 0 0 0 0 31 30 1 0 0 0 0 32 21 1 0 0 0 0 33 24 1 0 0 0 0 34 25 1 0 0 0 0 35 4 1 0 0 0 0 36 22 1 0 0 0 0 37 23 1 0 0 0 0 38 33 1 0 0 0 0 39 34 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 28 1 0 0 0 0 43 35 1 0 0 0 0 9 8 1 0 0 0 0 25 18 2 0 0 0 0 11 26 1 0 0 0 0 31 20 1 0 0 0 0 7 10 2 0 0 0 0 24 22 1 0 0 0 0 M CHG 2 1 1 27 -1 M END > (S1031) S1031 > (S1031) 3-ethyl-2-{[7-{[3-ethyl-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl}-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-3-ium iodi de > (S1031) none > (S1031) 226-227 ?C > (S1031) 781.0 > (S1031) HC; DY > (S1031) true $$$$ -ISIS- 11270914432D 39 43 0 0 0 0 0 0 0 0999 V2000 3.4125 -4.5917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8542 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.0542 -3.5542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.3875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1917 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -3.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5667 -5.9792 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 3.3000 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5042 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6792 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5042 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3875 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 17 1 0 0 0 0 15 11 1 0 0 0 0 16 15 2 0 0 0 0 17 13 2 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 7 1 0 0 0 0 21 10 1 0 0 0 0 22 25 1 0 0 0 0 24 1 1 0 0 0 0 25 29 1 0 0 0 0 26 22 1 0 0 0 0 27 19 2 0 0 0 0 28 33 1 0 0 0 0 29 17 1 0 0 0 0 30 26 1 0 0 0 0 31 4 1 0 0 0 0 32 21 2 0 0 0 0 33 20 2 0 0 0 0 34 27 1 0 0 0 0 35 28 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 24 1 0 0 0 0 39 31 1 0 0 0 0 8 6 1 0 0 0 0 28 18 2 0 0 0 0 11 22 1 0 0 0 0 30 16 1 0 0 0 0 10 9 2 0 0 0 0 27 32 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1032) S1032 > (S1032) 3-ethyl-2-{[7-{[3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl}-6-methoxy-1,3-benzothiazol-3-ium iodide > (S1032) none > (S1032) 242-243 ?C > (S1032) 757.0 > (S1032) HC; DY > (S1032) true $$$$ -ISIS- 11270914432D 43 49 0 0 0 0 0 0 0 0999 V2000 3.4667 -4.4292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9125 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -4.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8500 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -3.1125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -3.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0542 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -3.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3542 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -5.5167 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.5417 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5292 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1750 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4042 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3417 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2292 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7000 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 17 1 0 0 0 0 15 11 1 0 0 0 0 16 15 2 0 0 0 0 17 13 2 0 0 0 0 18 5 1 0 0 0 0 19 8 1 0 0 0 0 20 30 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 1 1 0 0 0 0 27 22 2 0 0 0 0 28 24 1 0 0 0 0 29 20 1 0 0 0 0 30 31 1 0 0 0 0 31 17 1 0 0 0 0 32 29 1 0 0 0 0 33 4 1 0 0 0 0 34 19 2 0 0 0 0 35 18 2 0 0 0 0 36 25 2 0 0 0 0 37 24 2 0 0 0 0 38 26 1 0 0 0 0 39 33 1 0 0 0 0 40 35 1 0 0 0 0 41 34 1 0 0 0 0 42 40 2 0 0 0 0 43 41 2 0 0 0 0 9 7 1 0 0 0 0 28 21 2 0 0 0 0 42 37 1 0 0 0 0 11 20 1 0 0 0 0 32 16 1 0 0 0 0 8 10 2 0 0 0 0 25 27 1 0 0 0 0 36 43 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1033) S1033 > (S1033) 1-ethyl-2-{[7-{[1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl}naphtho[1,2-d][1,3]thiazol-1-ium iodide > (S1033) 151567-53-2 > (S1033) 230-232 ?C > (S1033) 778.0 > (S1033) HC; DY > (S1033) Naphtho[1,2-d]thiazolium, 1-ethyl-2-[[7-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl]-, iodide (9CI) > (S1033) true $$$$ -ISIS- 11270914432D 47 52 0 0 0 0 0 0 0 0999 V2000 1.3792 -4.1292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8125 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.0500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.5292 -4.1042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9917 -2.8875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -2.9125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -7.8792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0458 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -7.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -6.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -2.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2917 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -7.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -1.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -1.5375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 18 1 0 0 0 0 17 15 2 0 0 0 0 18 14 2 0 0 0 0 19 4 1 0 0 0 0 20 9 1 0 0 0 0 21 10 1 0 0 0 0 22 4 1 0 0 0 0 23 8 1 0 0 0 0 24 4 2 0 0 0 0 25 4 2 0 0 0 0 26 11 1 0 0 0 0 27 32 1 0 0 0 0 28 1 1 0 0 0 0 29 19 1 0 0 0 0 30 19 2 0 0 0 0 31 27 1 0 0 0 0 32 36 1 0 0 0 0 33 38 1 0 0 0 0 34 21 2 0 0 0 0 35 31 1 0 0 0 0 36 18 1 0 0 0 0 37 5 1 0 0 0 0 38 23 2 0 0 0 0 39 26 2 0 0 0 0 40 29 2 0 0 0 0 41 30 1 0 0 0 0 42 33 1 0 0 0 0 43 34 1 0 0 0 0 44 41 2 0 0 0 0 45 44 1 0 0 0 0 46 28 1 0 0 0 0 47 37 1 0 0 0 0 9 7 1 0 0 0 0 33 20 2 0 0 0 0 12 27 1 0 0 0 0 35 17 1 0 0 0 0 11 10 2 0 0 0 0 34 39 1 0 0 0 0 40 44 1 0 0 0 0 M CHG 2 1 1 22 -1 M END > (S1053) S1053 > (S1053) 6-chloro-2-{[7-{[6-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl}-3-ethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1053) none > (S1053) 237-238 ?C > (S1053) 756.0 > (S1053) HC; DY > (S1053) true $$$$ -ISIS- 11270914432D 34 37 0 0 0 0 0 0 0 0999 V2000 1.2042 -4.1917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6875 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -4.3750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8667 -3.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -3.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -5.2500 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.0250 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -3.0750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 15 2 0 0 0 0 10 7 2 0 0 0 0 11 5 1 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 17 1 0 0 0 0 16 14 2 0 0 0 0 17 13 2 0 0 0 0 19 1 1 0 0 0 0 20 9 1 0 0 0 0 21 4 1 0 0 0 0 22 7 1 0 0 0 0 23 15 1 0 0 0 0 24 28 1 0 0 0 0 25 8 1 0 0 0 0 26 11 1 0 0 0 0 27 10 1 0 0 0 0 28 23 1 0 0 0 0 29 19 1 0 0 0 0 30 21 1 0 0 0 0 31 25 2 0 0 0 0 32 22 2 0 0 0 0 33 26 2 0 0 0 0 34 32 1 0 0 0 0 10 6 1 0 0 0 0 34 27 2 0 0 0 0 14 24 1 0 0 0 0 8 11 2 0 0 0 0 33 31 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1063) S1063 > (S1063) 2-[(E)-2-(2-chloro-3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium iodide > (S1063) 65303-15-3 > (S1063) 255-256 ?C > (S1063) 797.0 > (S1063) HC; DY > (S1063) Benzothiazolium, 2-[2-[2-chloro-3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-ethyl-, iodide (9CI) > (S1063) true $$$$ -ISIS- 11270914432D 36 39 0 0 0 0 0 0 0 0999 V2000 1.5292 -3.7292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6875 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9667 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -3.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8167 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -2.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1125 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -4.7042 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 10.1125 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.5042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 2 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 13 1 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 11 1 0 0 0 0 11 8 2 0 0 0 0 12 3 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 20 16 1 0 0 0 0 21 17 2 0 0 0 0 22 20 2 0 0 0 0 23 9 1 0 0 0 0 24 23 2 0 0 0 0 25 4 1 0 0 0 0 26 1 1 0 0 0 0 27 2 1 0 0 0 0 28 7 1 0 0 0 0 29 31 1 0 0 0 0 30 6 2 0 0 0 0 31 28 1 0 0 0 0 32 18 2 0 0 0 0 33 26 1 0 0 0 0 34 27 1 0 0 0 0 35 30 1 0 0 0 0 36 35 2 0 0 0 0 18 24 1 0 0 0 0 36 32 1 0 0 0 0 29 8 1 0 0 0 0 5 16 1 0 0 0 0 22 21 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1069) S1069 > (S1069) 2-[(E)-2-(2-chloro-3-{(E)-2-[1-ethyl-4a,8a-dihydro-2(1H)-quinolinylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-1-ethylquinolinium iodide > (S1069) none > (S1069) 254-255 ?C > (S1069) 847.0 > (S1069) HC; DY > (S1069) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 1.4250 -3.6625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9042 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -6.6125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.6167 -3.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -2.5792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4417 -6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -7.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.5250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5417 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 -2.7750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -2.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 14 3 1 0 0 0 0 15 18 1 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 14 2 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 9 1 0 0 0 0 22 4 1 0 0 0 0 23 4 2 0 0 0 0 24 4 2 0 0 0 0 25 11 1 0 0 0 0 26 10 1 0 0 0 0 27 1 1 0 0 0 0 28 19 1 0 0 0 0 29 19 2 0 0 0 0 30 12 1 0 0 0 0 31 20 2 0 0 0 0 32 21 2 0 0 0 0 33 5 1 0 0 0 0 34 31 1 0 0 0 0 35 25 2 0 0 0 0 36 28 2 0 0 0 0 37 29 1 0 0 0 0 38 32 1 0 0 0 0 39 31 1 0 0 0 0 40 37 2 0 0 0 0 41 43 1 0 0 0 0 42 15 1 0 0 0 0 43 42 1 0 0 0 0 44 40 1 0 0 0 0 45 27 1 0 0 0 0 46 33 1 0 0 0 0 10 8 1 0 0 0 0 34 26 2 0 0 0 0 41 16 1 0 0 0 0 9 11 2 0 0 0 0 35 32 1 0 0 0 0 36 40 1 0 0 0 0 M CHG 2 1 1 22 -1 M END > (S1070) S1070 > (S1070) 5-chloro-2-[(E)-2-(2-chloro-3-{(E)-2-[5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1070) none > (S1070) 218-219 ?C > (S1070) 817.0 > (S1070) HC; DY > (S1070) true $$$$ -ISIS- 11270914432D 42 45 0 0 0 0 0 0 0 0999 V2000 2.1875 -4.6375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6500 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -4.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.9750 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -3.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2792 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -5.6875 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0250 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -3.4792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -2.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1125 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 15 3 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 19 21 1 0 0 0 0 20 18 2 0 0 0 0 21 15 2 0 0 0 0 22 12 2 0 0 0 0 23 11 2 0 0 0 0 24 17 2 0 0 0 0 25 23 1 0 0 0 0 27 1 1 0 0 0 0 28 13 1 0 0 0 0 29 24 1 0 0 0 0 30 25 1 0 0 0 0 31 5 1 0 0 0 0 32 23 1 0 0 0 0 33 22 1 0 0 0 0 34 36 1 0 0 0 0 35 19 1 0 0 0 0 36 35 1 0 0 0 0 37 29 1 0 0 0 0 38 30 1 0 0 0 0 39 33 1 0 0 0 0 40 32 1 0 0 0 0 41 27 1 0 0 0 0 42 31 1 0 0 0 0 9 8 1 0 0 0 0 25 16 2 0 0 0 0 34 18 1 0 0 0 0 6 10 2 0 0 0 0 24 22 1 0 0 0 0 M CHG 2 1 1 26 -1 M END > (S1071) S1071 > (S1071) 2-[(E)-2-(2-chloro-3-{(E)-2-[3-ethyl-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-3-ethyl-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-3-ium chlo ride > (S1071) none > (S1071) 255 ?C > (S1071) 848.0 > (S1071) HC; DY > (S1071) true $$$$ -ISIS- 07201111452D 37 40 0 0 0 0 0 0 0 0999 V2000 5.2167 -5.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6250 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2417 -5.3750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.9542 -4.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -3.9250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9542 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7667 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8417 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -3.5167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1667 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7417 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3750 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4167 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3500 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1667 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -6.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -6.2292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8042 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -7.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -5.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 14 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 5 1 0 0 0 0 12 16 1 0 0 0 0 13 8 1 0 0 0 0 14 17 1 0 0 0 0 15 3 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 22 4 1 0 0 0 0 23 7 1 0 0 0 0 24 9 1 0 0 0 0 25 11 1 0 0 0 0 26 10 1 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 23 2 0 0 0 0 30 24 2 0 0 0 0 31 29 1 0 0 0 0 32 25 2 0 0 0 0 6 10 1 0 0 0 0 26 31 2 0 0 0 0 18 13 1 0 0 0 0 11 9 2 0 0 0 0 30 32 1 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 34 33 1 0 0 0 0 35 33 2 0 0 0 0 36 33 2 0 0 0 0 37 33 2 0 0 0 0 M CHG 2 1 1 34 -1 M END > (S1073) S1073 > (S1073) 2-[(E)-2-(2-chloro-3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-1-cyclopenten-1-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium perchlorate > (S1073) 69415-16-3 > (S1073) DY > (S1073) true $$$$ -ISIS- 11270914432D 34 37 0 0 0 0 0 0 0 0999 V2000 0.6875 -5.4167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -5.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8417 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -6.1250 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.1042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -5.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0208 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9625 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 14 1 0 0 0 0 9 2 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 13 4 1 0 0 0 0 14 16 2 0 0 0 0 15 6 2 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 18 1 2 0 0 0 0 20 18 1 0 0 0 0 21 2 1 0 0 0 0 22 1 1 0 0 0 0 23 3 1 0 0 0 0 24 30 1 0 0 0 0 25 8 1 0 0 0 0 26 5 1 0 0 0 0 27 7 1 0 0 0 0 28 6 1 0 0 0 0 29 15 1 0 0 0 0 30 25 1 0 0 0 0 31 27 2 0 0 0 0 32 31 1 0 0 0 0 33 28 2 0 0 0 0 34 33 1 0 0 0 0 17 15 1 0 0 0 0 34 29 2 0 0 0 0 24 9 1 0 0 0 0 3 5 1 0 0 0 0 32 26 2 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1080) S1080 > (S1080) 4-[(E)-2-(2-chloro-3-{(E)-2-[1-methyl-4(1H)-quinolinylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-1-methylquinolinium iodide > (S1080) none > (S1080) 230-232 ?C > (S1080) 959.0 > (S1080) HC; DY > (S1080) true $$$$ -ISIS- 11270914432D 33 36 0 0 0 0 0 0 0 0999 V2000 0.6875 -5.4167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2917 -5.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8417 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -5.6917 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.1042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0208 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9625 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 9 2 0 0 0 0 4 6 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 9 13 1 0 0 0 0 10 5 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 11 2 0 0 0 0 15 21 2 0 0 0 0 16 14 1 0 0 0 0 17 12 1 0 0 0 0 18 1 2 0 0 0 0 19 24 1 0 0 0 0 21 18 1 0 0 0 0 22 1 1 0 0 0 0 23 19 1 0 0 0 0 24 16 1 0 0 0 0 25 2 1 0 0 0 0 26 4 1 0 0 0 0 27 6 1 0 0 0 0 28 5 1 0 0 0 0 29 10 1 0 0 0 0 30 31 1 0 0 0 0 31 27 2 0 0 0 0 32 33 1 0 0 0 0 33 28 2 0 0 0 0 10 15 1 0 0 0 0 32 29 2 0 0 0 0 23 17 1 0 0 0 0 2 4 1 0 0 0 0 30 26 2 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1081) S1081 > (S1081) 1-methyl-4-{(E)-2-[5-{(Z)-2-[1-methyl-4(1H)-quinolinylidene]ethylidene}-2H-pyran-3(6H)-yl]ethenyl}quinolinium iodide > (S1081) none > (S1081) 948.0 > (S1081) HC; DY > (S1081) true $$$$ -ISIS- 11270914432D 35 38 0 0 0 0 0 0 0 0999 V2000 1.4750 -3.1417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9292 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -3.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9292 -2.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1292 -1.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -4.5292 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.3042 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0167 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3625 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 17 2 0 0 0 0 14 12 2 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 19 1 1 0 0 0 0 20 4 1 0 0 0 0 21 5 1 0 0 0 0 22 5 1 0 0 0 0 23 6 1 0 0 0 0 24 6 1 0 0 0 0 25 7 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 10 1 0 0 0 0 29 31 1 0 0 0 0 30 16 1 0 0 0 0 31 30 1 0 0 0 0 32 28 2 0 0 0 0 33 34 1 0 0 0 0 34 25 2 0 0 0 0 35 26 2 0 0 0 0 6 9 1 0 0 0 0 27 33 2 0 0 0 0 29 17 1 0 0 0 0 10 8 2 0 0 0 0 35 32 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1083) S1083 > (S1083) 1,3,3-trimethyl-2-((E)-2-{3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-3H-indolium iodide > (S1083) 140648-15-3 > (S1083) 746.0 > (S1083) HC; DY > (S1083) 3H-Indolium, 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, iodide (9CI) > (S1083) true $$$$ -ISIS- 11270914432D 50 54 0 0 0 0 0 0 0 0999 V2000 5.7417 -4.4750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.8042 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -6.6125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 11.4917 -4.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2125 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -3.4792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -3.3417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8167 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -4.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3250 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1417 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -7.3250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5417 -6.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -5.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.6667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6625 -2.2292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -2.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5500 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2750 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3542 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7750 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 16 1 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 3 1 0 0 0 0 16 20 2 0 0 0 0 17 15 2 0 0 0 0 18 11 1 0 0 0 0 19 10 1 0 0 0 0 20 17 1 0 0 0 0 21 13 2 0 0 0 0 22 14 2 0 0 0 0 23 21 1 0 0 0 0 24 18 2 0 0 0 0 25 4 1 0 0 0 0 26 4 1 0 0 0 0 27 4 2 0 0 0 0 28 4 2 0 0 0 0 29 17 1 0 0 0 0 30 36 1 0 0 0 0 31 1 1 0 0 0 0 32 25 1 0 0 0 0 33 25 2 0 0 0 0 34 23 1 0 0 0 0 35 24 1 0 0 0 0 36 29 1 0 0 0 0 37 5 1 0 0 0 0 38 21 1 0 0 0 0 39 22 1 0 0 0 0 40 32 2 0 0 0 0 41 33 1 0 0 0 0 42 41 2 0 0 0 0 43 35 1 0 0 0 0 44 34 1 0 0 0 0 45 36 1 0 0 0 0 46 42 1 0 0 0 0 47 39 1 0 0 0 0 48 38 1 0 0 0 0 49 31 1 0 0 0 0 50 37 1 0 0 0 0 10 9 1 0 0 0 0 23 19 2 0 0 0 0 30 16 1 0 0 0 0 8 11 2 0 0 0 0 24 22 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 2 1 1 26 -1 M END > (S1089) S1089 > (S1089) 3-ethyl-2-[(3-{[3-ethyl-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-5-methyl-2-cyclohexen-1-ylidene)methyl]-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-3-ium 4-methylbenzenes ulfonate > (S1089) none > (S1089) 688.0 > (S1089) HC; DY > (S1089) true $$$$ -ISIS- 11270914432D 39 42 0 0 0 0 0 0 0 0999 V2000 1.4375 -3.4042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8417 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -3.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7000 -5.6042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -2.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9875 -2.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8292 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -5.1917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9917 -6.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -1.8875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 18 1 0 0 0 0 17 15 2 0 0 0 0 18 13 2 0 0 0 0 19 5 1 0 0 0 0 20 5 2 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 24 1 0 0 0 0 24 16 1 0 0 0 0 25 1 1 0 0 0 0 26 14 1 0 0 0 0 27 4 1 0 0 0 0 28 6 1 0 0 0 0 29 6 1 0 0 0 0 30 7 1 0 0 0 0 31 7 1 0 0 0 0 32 8 1 0 0 0 0 33 9 1 0 0 0 0 34 10 1 0 0 0 0 35 11 1 0 0 0 0 36 32 2 0 0 0 0 37 33 2 0 0 0 0 38 35 2 0 0 0 0 39 36 1 0 0 0 0 7 10 1 0 0 0 0 34 39 2 0 0 0 0 23 15 1 0 0 0 0 11 9 2 0 0 0 0 37 38 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1093) S1093 > (S1093) 2-((E)-2-{2-chloro-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate > (S1093) 69415-30-1 > (S1093) 217 ?C > (S1093) 800.0 > (S1093) HC; DY > (S1093) 3H-Indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, perchlorate (9CI) > (S1093) true $$$$ -ISIS- 11270914432D 34 38 0 0 0 0 0 0 0 0999 V2000 2.1667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -3.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5750 -3.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -2.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0375 -2.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8417 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -4.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 17 1 0 0 0 0 12 1 2 0 0 0 0 13 15 1 0 0 0 0 14 13 1 0 0 0 0 15 16 2 0 0 0 0 16 12 1 0 0 0 0 17 14 2 0 0 0 0 18 13 2 0 0 0 0 19 15 1 0 0 0 0 20 19 1 0 0 0 0 21 3 1 0 0 0 0 22 4 1 0 0 0 0 23 6 1 0 0 0 0 24 5 1 0 0 0 0 25 5 1 0 0 0 0 26 6 1 0 0 0 0 27 8 1 0 0 0 0 28 7 1 0 0 0 0 29 9 1 0 0 0 0 30 10 1 0 0 0 0 31 27 2 0 0 0 0 32 29 2 0 0 0 0 33 28 2 0 0 0 0 34 30 2 0 0 0 0 7 10 2 0 0 0 0 33 34 1 0 0 0 0 14 20 1 0 0 0 0 8 9 2 0 0 0 0 32 31 1 0 0 0 0 M END > (S1099) S1099 > (S1099) 2,5-bis[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclopentanone > (S1099) 27713-85-5 > (S1099) 242-243; š262-263 œC (ref 1) > (S1099) 562.0 > (S1099) HC; DY > (S1099) Cyclopentanone, 2,5-bis[2-(1,3,3-trimethyl-2-indolinylidene)ethylidene]- (8CI); 2,5-Bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-cyclopentanone; Cyclopentanone, 2,5-bis[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]- (9CI) > (S1099) true $$$$ -ISIS- 11270914432D 35 39 0 0 0 0 0 0 0 0999 V2000 7.8875 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -4.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6292 -4.3667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9667 -3.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1667 -3.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9042 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0167 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4292 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 1 2 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 17 15 2 0 0 0 0 18 13 2 0 0 0 0 19 4 1 0 0 0 0 20 3 1 0 0 0 0 21 6 1 0 0 0 0 22 5 1 0 0 0 0 23 5 1 0 0 0 0 24 6 1 0 0 0 0 25 7 1 0 0 0 0 26 8 1 0 0 0 0 27 9 1 0 0 0 0 28 10 1 0 0 0 0 29 31 1 0 0 0 0 30 17 1 0 0 0 0 31 30 1 0 0 0 0 32 26 2 0 0 0 0 33 28 2 0 0 0 0 34 25 2 0 0 0 0 35 27 2 0 0 0 0 8 9 2 0 0 0 0 35 32 1 0 0 0 0 29 16 1 0 0 0 0 7 10 2 0 0 0 0 34 33 1 0 0 0 0 M END > (S1100) S1100 > (S1100) 2,6-bis[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohexanone > (S1100) 53115-04-1 > (S1100) 269-271 œC (ref 1) > (S1100) 521.0 > (S1100) HC; DY > (S1100) Cyclohexanone, 2,6-bis[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]- (9CI) > (S1100) true $$$$ -ISIS- 11270914432D 24 27 0 0 0 0 0 0 0 0999 V2000 3.3125 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -4.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0667 -3.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9875 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 10 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 1 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 2 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 9 1 0 0 0 0 20 11 1 0 0 0 0 21 17 2 0 0 0 0 22 18 2 0 0 0 0 23 19 2 0 0 0 0 24 20 2 0 0 0 0 4 6 2 0 0 0 0 21 22 1 0 0 0 0 11 9 2 0 0 0 0 23 24 1 0 0 0 0 M END > (S1102) S1102 > (S1102) (2E)-2-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]indan-1-one > (S1102) 53704-23-7 > (S1102) 179-180 ?C > (S1102) HC; DY > (S1102) 1H-Inden-1-one, 2-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro- (9CI) > (S1102) true $$$$ -ISIS- 11270914432D 25 28 0 0 0 0 0 0 0 0999 V2000 3.6792 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -6.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4167 -5.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3417 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 14 1 0 0 0 0 12 7 2 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 2 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 9 1 0 0 0 0 21 11 1 0 0 0 0 22 19 2 0 0 0 0 23 18 2 0 0 0 0 24 20 2 0 0 0 0 25 21 2 0 0 0 0 4 5 2 0 0 0 0 23 22 1 0 0 0 0 11 9 2 0 0 0 0 25 24 1 0 0 0 0 M END > (S1103) S1103 > (S1103) (2E)-2-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-3,4-dihydronaphthalen-1(2H)-one > (S1103) 53704-25-9 > (S1103) 206-207 ?C > (S1103) HC; DY > (S1103) 1(2H)-Naphthalenone, 2-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-3,4-dihydro- (9CI) > (S1103) true $$$$ -ISIS- 11270914432D 38 43 0 0 0 0 0 0 0 0999 V2000 6.0000 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -5.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.4000 -4.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1667 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -4.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8292 -3.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6792 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0042 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4917 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0292 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8250 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2625 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2917 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9542 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 16 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 13 2 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 19 1 0 0 0 0 17 1 2 0 0 0 0 18 17 1 0 0 0 0 19 6 2 0 0 0 0 20 7 2 0 0 0 0 21 3 1 0 0 0 0 22 4 1 0 0 0 0 23 9 1 0 0 0 0 24 8 1 0 0 0 0 25 8 1 0 0 0 0 26 9 1 0 0 0 0 27 11 1 0 0 0 0 28 10 1 0 0 0 0 29 12 1 0 0 0 0 30 13 1 0 0 0 0 31 14 1 0 0 0 0 32 15 1 0 0 0 0 33 28 2 0 0 0 0 34 32 2 0 0 0 0 35 30 2 0 0 0 0 36 35 1 0 0 0 0 37 27 2 0 0 0 0 38 31 2 0 0 0 0 10 15 2 0 0 0 0 33 34 1 0 0 0 0 6 12 1 0 0 0 0 29 36 2 0 0 0 0 11 14 2 0 0 0 0 38 37 1 0 0 0 0 M END > (S1104) S1104 > (S1104) 1,3-bis[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1,3-dihydro-2H-inden-2-one > (S1104) 53115-05-2 > (S1104) 232-233, 210-235 œC(Ref. 2) > (S1104) HC; DY > (S1104) 2H-Inden-2-one, 1,3-bis[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1,3-dihydro- (9CI) > (S1104) true $$$$ -ISIS- 11270914432D 32 35 0 0 0 0 0 0 0 0999 V2000 1.9667 -5.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2250 -5.6250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4375 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -4.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4292 -4.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4125 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 11 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 14 1 0 0 0 0 12 4 2 0 0 0 0 13 12 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 1 1 0 0 0 0 20 2 1 0 0 0 0 21 6 1 0 0 0 0 22 6 1 0 0 0 0 23 5 1 0 0 0 0 24 5 1 0 0 0 0 25 7 1 0 0 0 0 26 8 1 0 0 0 0 27 10 1 0 0 0 0 28 9 1 0 0 0 0 29 25 2 0 0 0 0 30 26 2 0 0 0 0 31 28 2 0 0 0 0 32 29 1 0 0 0 0 10 5 1 0 0 0 0 32 27 2 0 0 0 0 8 9 2 0 0 0 0 31 30 1 0 0 0 0 M END > (S1105) S1105 > (S1105) (2E,5E)-1,7-bis(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-2,5-heptadien-4-one > (S1105) 53115-03-0 > (S1105) 193-194, 265-267 œC (Ref 2) > (S1105) 520.0 > (S1105) HC; DY > (S1105) 2,5-Heptadien-4-one, 1,7-bis(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)- (9CI) > (S1105) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 6.6042 -4.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2375 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8292 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7500 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2292 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 2 2 0 0 0 0 10 8 2 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 1 1 0 0 0 0 14 3 1 0 0 0 0 15 6 1 0 0 0 0 16 12 2 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 16 1 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 5 4 2 0 0 0 0 20 15 2 0 0 0 0 23 21 2 0 0 0 0 M END > (S1106) S1106 > (S1106) (2E,4E)-4-(1-ethylquinolin-2(1H)-ylidene)-1-phenylbut-2-en-1-one > (S1106) 53704-24-8 > (S1106) 156-157 ?C > (S1106) HC; DY > (S1106) 2-Buten-1-one, 4-(1-ethyl-2(1H)-quinolinylidene)-1-phenyl- (9CI) > (S1106) true $$$$ -ISIS- 11270914432D 25 28 0 0 0 0 0 0 0 0999 V2000 7.2667 -4.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.8417 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8417 -3.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8333 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2667 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2667 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9792 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9792 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 4 2 0 0 0 0 12 15 1 0 0 0 0 13 2 2 0 0 0 0 14 5 1 0 0 0 0 15 14 1 0 0 0 0 16 1 1 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 16 1 0 0 0 0 22 17 2 0 0 0 0 23 18 2 0 0 0 0 24 20 2 0 0 0 0 25 22 1 0 0 0 0 10 9 2 0 0 0 0 25 19 2 0 0 0 0 12 6 2 0 0 0 0 24 23 1 0 0 0 0 M END > (S1107) S1107 > (S1107) (2E)-2-[(2E)-2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-3,4-dihydronaphthalen-1(2H)-one > (S1107) 53704-22-6 > (S1107) 150-151 ?C > (S1107) HC; DY > (S1107) 1(2H)-Naphthalenone, 2-[(1-ethyl-2(1H)-quinolinylidene)ethylidene]-3,4-dihydro- (9CI) > (S1107) true $$$$ -ISIS- 11270914432D 34 38 0 0 0 0 0 0 0 0999 V2000 0.3750 -2.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3542 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7417 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 2 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 12 2 0 0 0 0 9 5 1 0 0 0 0 10 13 1 0 0 0 0 11 4 2 0 0 0 0 12 11 1 0 0 0 0 13 9 2 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 19 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 6 2 0 0 0 0 20 5 2 0 0 0 0 21 22 1 0 0 0 0 22 8 1 0 0 0 0 23 1 1 0 0 0 0 24 2 1 0 0 0 0 25 7 1 0 0 0 0 26 6 1 0 0 0 0 27 18 1 0 0 0 0 28 19 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 25 2 0 0 0 0 32 26 2 0 0 0 0 33 27 2 0 0 0 0 34 32 1 0 0 0 0 16 15 2 0 0 0 0 34 28 2 0 0 0 0 9 21 1 0 0 0 0 7 18 2 0 0 0 0 33 31 1 0 0 0 0 M END > (S1108) S1108 > (S1108) 2,5-bis{(E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene}cyclopentanone > (S1108) 53115-01-8 > (S1108) 229-230 ?C > (S1108) HC; DY > (S1108) Cyclopentanone, 2,5-bis[(1-ethyl-2(1H)-quinolinylidene)ethylidene]- (9CI) > (S1108) true $$$$ -ISIS- 11270914432D 32 36 0 0 0 0 0 0 0 0999 V2000 2.6750 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -4.8375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0500 -5.1042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3375 -3.7917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -3.6042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0292 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 15 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 17 1 0 0 0 0 13 1 2 0 0 0 0 14 9 1 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 17 14 2 0 0 0 0 18 9 2 0 0 0 0 19 15 1 0 0 0 0 20 19 1 0 0 0 0 21 3 1 0 0 0 0 22 4 1 0 0 0 0 23 7 1 0 0 0 0 24 8 1 0 0 0 0 25 11 1 0 0 0 0 26 10 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 24 2 0 0 0 0 30 23 2 0 0 0 0 31 26 2 0 0 0 0 32 25 2 0 0 0 0 11 8 2 0 0 0 0 29 32 1 0 0 0 0 14 20 1 0 0 0 0 7 10 2 0 0 0 0 31 30 1 0 0 0 0 M END > (S1109) S1109 > (S1109) 2,5-bis{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}cyclopentanone > (S1109) 27714-24-5 > (S1109) 227; 240-242 œC(Ref 3) > (S1109) 604.0 > (S1109) HC; DY > (S1109) Cyclopentanone, 2,5-bis[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]- (8CI); 2,5-Bis[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]cyclopentanone; Cyclopentanone, 2,5-bis[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]- (9CI) > (S1109) true $$$$ -ISIS- 11270914432D 33 37 0 0 0 0 0 0 0 0999 V2000 8.1667 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -4.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7417 -4.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2792 -3.0917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -3.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 13 1 2 0 0 0 0 14 11 1 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 17 14 2 0 0 0 0 18 11 2 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 27 1 0 0 0 0 22 15 1 0 0 0 0 23 7 1 0 0 0 0 24 8 1 0 0 0 0 25 10 1 0 0 0 0 26 9 1 0 0 0 0 27 22 1 0 0 0 0 28 20 1 0 0 0 0 29 19 1 0 0 0 0 30 23 2 0 0 0 0 31 24 2 0 0 0 0 32 25 2 0 0 0 0 33 26 2 0 0 0 0 7 9 2 0 0 0 0 33 30 1 0 0 0 0 21 14 1 0 0 0 0 10 8 2 0 0 0 0 31 32 1 0 0 0 0 M END > (S1110) S1110 > (S1110) 2,6-bis{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}cyclohexanone > (S1110) 53115-00-7 > (S1110) 214-215 ?C > (S1110) HC; DY > (S1110) Cyclohexanone, 2,6-bis[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]- (9CI) > (S1110) true $$$$ -ISIS- 11270914432D 22 24 0 0 0 0 0 0 0 0999 V2000 4.1167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.4875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8667 -3.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 13 2 0 0 0 0 19 14 2 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 5 4 2 0 0 0 0 18 19 1 0 0 0 0 22 21 2 0 0 0 0 M END > (S1111) S1111 > (S1111) (2E,4Z)-4-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1-phenylbut-2-en-1-one > (S1111) 35327-87-8 > (S1111) 124-125 ?C > (S1111) HC; DY > (S1111) 2-Buten-1-one, 4-(3-ethyl-2(3H)-benzothiazolylidene)-1-phenyl- (9CI) > (S1111) true $$$$ -ISIS- 11270914432D 24 27 0 0 0 0 0 0 0 0999 V2000 4.0625 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.9917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 10 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 14 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 2 1 0 0 0 0 16 5 1 0 0 0 0 17 9 1 0 0 0 0 18 6 1 0 0 0 0 19 11 1 0 0 0 0 20 15 1 0 0 0 0 21 16 2 0 0 0 0 22 17 2 0 0 0 0 23 18 2 0 0 0 0 24 19 2 0 0 0 0 6 5 2 0 0 0 0 21 23 1 0 0 0 0 11 9 2 0 0 0 0 24 22 1 0 0 0 0 M END > (S1112) S1112 > (S1112) (2E)-2-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-3,4-dihydronaphthalen-1(2H)-one > (S1112) 53704-21-5 > (S1112) 155-156 ?C > (S1112) HC; DY > (S1112) 1(2H)-Naphthalenone, 2-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-3,4-dihydro- (9CI) > (S1112) true $$$$ -ISIS- 11270914432D 35 39 0 0 0 0 0 0 0 0999 V2000 2.0292 -3.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1917 -3.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4667 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 15 2 0 0 0 0 9 7 1 0 0 0 0 10 14 1 0 0 0 0 11 4 2 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 9 2 0 0 0 0 15 11 1 0 0 0 0 16 19 1 0 0 0 0 17 12 2 0 0 0 0 18 17 1 0 0 0 0 19 5 2 0 0 0 0 20 7 2 0 0 0 0 21 2 1 0 0 0 0 22 1 1 0 0 0 0 23 27 1 0 0 0 0 24 8 1 0 0 0 0 25 5 1 0 0 0 0 26 6 1 0 0 0 0 27 24 1 0 0 0 0 28 19 1 0 0 0 0 29 18 1 0 0 0 0 30 21 1 0 0 0 0 31 22 1 0 0 0 0 32 26 2 0 0 0 0 33 25 2 0 0 0 0 34 29 2 0 0 0 0 35 33 1 0 0 0 0 16 13 2 0 0 0 0 35 28 2 0 0 0 0 23 9 1 0 0 0 0 6 18 2 0 0 0 0 34 32 1 0 0 0 0 M END > (S1113) S1113 > (S1113) 2,6-bis{(E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene}cyclohexanone > (S1113) 53115-02-9 > (S1113) 231-232 ?C > (S1113) HC; DY > (S1113) Cyclohexanone, 2,6-bis[(1-ethyl-2(1H)-quinolinylidene)ethylidene]- (9CI) > (S1113) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.1000 -4.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7625 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -3.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4375 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -3.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 1 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 5 3 1 0 0 0 0 18 15 2 0 0 0 0 M END > (S1115) S1115 > (S1115) (3E,5E)-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)pent-3-en-2-one > (S1115) 53704-20-4 > (S1115) 123-124 ?C > (S1115) HC; DY > (S1115) 3-Penten-2-one, 5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)- (9CI) > (S1115) true $$$$ -ISIS- 11270914432D 39 43 0 0 0 0 0 0 0 0999 V2000 2.1667 -3.8667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6125 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -3.9667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7792 -2.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.7167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -4.4458 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.9917 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 15 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 5 1 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 17 1 0 0 0 0 16 14 2 0 0 0 0 17 13 2 0 0 0 0 18 8 1 0 0 0 0 20 1 1 0 0 0 0 21 4 1 0 0 0 0 22 7 1 0 0 0 0 23 28 1 0 0 0 0 24 15 1 0 0 0 0 25 9 1 0 0 0 0 26 10 1 0 0 0 0 27 11 1 0 0 0 0 28 24 1 0 0 0 0 29 18 1 0 0 0 0 30 18 2 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 25 2 0 0 0 0 34 22 2 0 0 0 0 35 27 2 0 0 0 0 36 34 1 0 0 0 0 37 30 1 0 0 0 0 38 29 2 0 0 0 0 39 37 2 0 0 0 0 10 6 1 0 0 0 0 36 26 2 0 0 0 0 23 14 1 0 0 0 0 39 38 1 0 0 0 0 9 11 2 0 0 0 0 35 33 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1116) S1116 > (S1116) 3-ethyl-2-[(E)-2-(3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-phenyl-1-cyclohexen-1-yl)ethenyl]-1,3-benzothiazol-3-ium iodide > (S1116) 70446-38-7 > (S1116) 239-240 ?C(Ref 1) > (S1116) 782.0 > (S1116) HC; DY > (S1116) Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-, iodide (9CI) > (S1116) true $$$$ -ISIS- 11270914432D 38 42 0 0 0 0 0 0 0 0999 V2000 1.8375 -6.2875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1750 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -6.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4292 -5.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -5.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -7.3042 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.8667 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 13 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 5 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 8 1 0 0 0 0 15 3 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 18 8 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 22 1 1 0 0 0 0 23 4 1 0 0 0 0 24 7 1 0 0 0 0 25 9 1 0 0 0 0 26 10 1 0 0 0 0 27 11 1 0 0 0 0 28 18 1 0 0 0 0 29 18 2 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 32 25 2 0 0 0 0 33 24 2 0 0 0 0 34 33 1 0 0 0 0 35 27 2 0 0 0 0 36 29 1 0 0 0 0 37 28 2 0 0 0 0 38 36 2 0 0 0 0 10 6 1 0 0 0 0 34 26 2 0 0 0 0 14 20 1 0 0 0 0 38 37 1 0 0 0 0 9 11 2 0 0 0 0 35 32 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1117) S1117 > (S1117) 3-ethyl-2-[(E)-2-(3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-phenyl-1-cyclopenten-1-yl)ethenyl]-1,3-benzothiazol-3-ium iodide > (S1117) 70446-32-1 > (S1117) 255-256 ?C(Ref 1) > (S1117) 808.0 > (S1117) HC; DY > (S1117) Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-, iodide (9CI) > (S1117) true $$$$ -ISIS- 11270914432D 38 42 0 0 0 0 0 0 0 0999 V2000 1.8375 -6.2917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1792 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -6.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4292 -5.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -5.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -4.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7750 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -7.5542 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.8667 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 13 2 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 5 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 7 1 0 0 0 0 15 3 1 0 0 0 0 16 7 1 0 0 0 0 17 14 2 0 0 0 0 18 15 2 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 22 1 1 0 0 0 0 23 31 1 0 0 0 0 24 4 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 11 1 0 0 0 0 30 10 1 0 0 0 0 31 26 1 0 0 0 0 32 25 1 0 0 0 0 33 22 1 0 0 0 0 34 24 1 0 0 0 0 35 27 2 0 0 0 0 36 28 2 0 0 0 0 37 29 2 0 0 0 0 38 35 1 0 0 0 0 10 6 1 0 0 0 0 38 30 2 0 0 0 0 14 20 1 0 0 0 0 23 32 1 0 0 0 0 9 11 2 0 0 0 0 37 36 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1119) S1119 > (S1119) 3-ethyl-2-{(E)-2-[3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-(4-morpholinyl)-1-cyclopenten-1-yl]ethenyl}-1,3-benzothiazol-3-ium iodide > (S1119) 33628-20-5 > (S1119) 251 ?C > (S1119) HC; DY > (S1119) Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-(4-morpholinyl)-1-cyclopenten-1-yl]ethenyl]-, iodide (9CI); Benzothiazolium, 3-ethyl-2-[2-[3-[2-(3-ethyl-2-benzothiazolinylidene)ethylidene]-2-morpholino-1-cyclopenten-1-yl]vinyl]-, iodide (8CI); 3,3'-Diethyl-10,12-ethylene-11-morpholinothiatricarbocyanine iodide; 3,3'-Diethyl-10,12-ethylene-12-morpholinothiatricarbocyanine iodide; IR 109 > (S1119) true $$$$ -ISIS- 11270914432D 39 43 0 0 0 0 0 0 0 0999 V2000 1.6167 -5.5417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0292 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -5.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1500 -4.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -4.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -4.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8917 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -6.3917 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.5167 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5917 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 16 2 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 5 1 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 7 1 0 0 0 0 16 18 1 0 0 0 0 17 15 2 0 0 0 0 18 13 2 0 0 0 0 20 1 1 0 0 0 0 21 32 1 0 0 0 0 22 4 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 8 1 0 0 0 0 26 16 1 0 0 0 0 27 31 1 0 0 0 0 28 9 1 0 0 0 0 29 11 1 0 0 0 0 30 10 1 0 0 0 0 31 26 1 0 0 0 0 32 24 1 0 0 0 0 33 23 1 0 0 0 0 34 20 1 0 0 0 0 35 22 1 0 0 0 0 36 28 2 0 0 0 0 37 25 2 0 0 0 0 38 37 1 0 0 0 0 39 29 2 0 0 0 0 10 6 1 0 0 0 0 38 30 2 0 0 0 0 27 15 1 0 0 0 0 21 33 1 0 0 0 0 9 11 2 0 0 0 0 39 36 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1120) S1120 > (S1120) 3-ethyl-2-{(E)-2-[3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-(4-morpholinyl)-1-cyclohexen-1-yl]ethenyl}-1,3-benzothiazol-3-ium iodide > (S1120) none > (S1120) 237 ?C > (S1120) HC; DY > (S1120) Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-(4-morpholinyl)-1-cyclohexen-1-yl]ethenyl]-, iodide (9CI) > (S1120) true $$$$ -ISIS- 11270914432D 23 26 0 0 0 0 0 0 0 0999 V2000 2.5417 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -3.0792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3000 -1.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 10 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 12 4 1 0 0 0 0 13 5 2 0 0 0 0 14 2 1 0 0 0 0 15 6 1 0 0 0 0 16 8 1 0 0 0 0 17 7 1 0 0 0 0 18 11 1 0 0 0 0 19 14 1 0 0 0 0 20 16 2 0 0 0 0 21 15 2 0 0 0 0 22 17 2 0 0 0 0 23 18 2 0 0 0 0 6 7 2 0 0 0 0 21 22 1 0 0 0 0 11 8 2 0 0 0 0 20 23 1 0 0 0 0 M END > (S1140) S1140 > (S1140) (2E)-2-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]indan-1-one > (S1140) 88454-41-5 > (S1140) 203-205 ?C > (S1140) HC; DY > (S1140) 1H-Inden-1-one, 2-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2,3-dihydro- (9CI) > (S1140) true $$$$ -ISIS- 11270914432D 30 32 0 0 0 0 0 0 0 0999 V2000 5.8292 -4.5417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.8792 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 -4.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.0625 -3.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -3.4042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2125 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8792 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -4.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -6.8167 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 5.6667 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6625 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0292 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5167 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 17 1 1 0 0 0 0 18 4 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 10 1 0 0 0 0 22 9 1 0 0 0 0 23 25 1 0 0 0 0 24 15 1 0 0 0 0 25 26 1 0 0 0 0 26 24 1 0 0 0 0 27 19 2 0 0 0 0 28 20 2 0 0 0 0 29 27 1 0 0 0 0 30 21 2 0 0 0 0 9 6 1 0 0 0 0 29 22 2 0 0 0 0 8 10 2 0 0 0 0 30 28 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1146) S1146 > (S1146) 2-{(1E,3E)-3-(3-hydroxypropyl)-5-[3-methyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl}-3-methyl-1,3-benzothiazol-3-ium iodide > (S1146) none > (S1146) 215 ?C > (S1146) HC; DY > (S1146) true $$$$ -ISIS- 11270914432D 38 40 0 0 0 0 0 0 0 0999 V2000 -0.7250 -2.4917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3250 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9458 -4.6042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0333 -1.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2625 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -4.1917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6500 -5.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -3.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -5.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 14 1 0 0 0 0 13 3 1 0 0 0 0 14 20 2 0 0 0 0 15 13 2 0 0 0 0 16 5 1 0 0 0 0 17 5 2 0 0 0 0 18 5 2 0 0 0 0 19 5 2 0 0 0 0 20 15 1 0 0 0 0 21 1 1 0 0 0 0 22 4 1 0 0 0 0 23 6 1 0 0 0 0 24 6 1 0 0 0 0 25 7 1 0 0 0 0 26 7 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 11 1 0 0 0 0 30 10 1 0 0 0 0 31 33 1 0 0 0 0 32 20 1 0 0 0 0 33 34 1 0 0 0 0 34 32 1 0 0 0 0 35 28 2 0 0 0 0 36 29 2 0 0 0 0 37 27 2 0 0 0 0 38 37 1 0 0 0 0 10 7 1 0 0 0 0 38 30 2 0 0 0 0 9 11 2 0 0 0 0 36 35 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1147) S1147 > (S1147) 2-[(1E,3E)-3-(3-hydroxypropyl)-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium perchlorate > (S1147) 63899-25-2 > (S1147) 214 ?C > (S1147) HC; DY > (S1147) 3H-Indolium, 2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-6-hydroxy-1-hexenyl]-1,3,3-trimethyl-, perchlorate (salt) (9CI) > (S1147) true $$$$ -ISIS- 11270914432D 36 38 0 0 0 0 0 0 0 0999 V2000 -0.6583 -2.3042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3792 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5542 -1.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0042 -1.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9083 -3.9500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -3.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6208 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -4.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -4.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 14 1 0 0 0 0 13 3 1 0 0 0 0 14 20 2 0 0 0 0 15 13 2 0 0 0 0 16 7 1 0 0 0 0 17 7 2 0 0 0 0 18 7 2 0 0 0 0 19 7 2 0 0 0 0 20 15 1 0 0 0 0 21 1 1 0 0 0 0 22 5 1 0 0 0 0 23 4 1 0 0 0 0 24 6 1 0 0 0 0 25 8 1 0 0 0 0 26 10 1 0 0 0 0 27 11 1 0 0 0 0 28 9 1 0 0 0 0 29 31 1 0 0 0 0 30 20 1 0 0 0 0 31 32 1 0 0 0 0 32 30 1 0 0 0 0 33 25 2 0 0 0 0 34 33 1 0 0 0 0 35 26 2 0 0 0 0 36 27 2 0 0 0 0 9 6 1 0 0 0 0 34 28 2 0 0 0 0 10 11 2 0 0 0 0 36 35 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1148) S1148 > (S1148) 2-[(1E,3E)-5-(1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-3-(3-hydroxypropyl)-1,3-pentadienyl]-1,3-dimethyl-3H-benzimidazol-1-ium perchlorate > (S1148) 63899-28-5 > (S1148) 178 ?C > (S1148) HC; DY > (S1148) 1H-Benzimidazolium, 2-[3-[(1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)ethylidene]-6-hydroxy-1-hexenyl]-1,3-dimethyl-, perchlorate (salt) (9CI) > (S1148) true $$$$ -ISIS- 11270914432D 48 54 0 0 0 0 0 0 0 0999 V2000 0.0292 -1.2167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7500 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -1.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.9542 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.3417 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -3.8125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -4.7667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -3.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 17 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 13 1 0 0 0 0 15 18 1 0 0 0 0 17 14 2 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 22 1 1 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 16 1 0 0 0 0 29 4 1 0 0 0 0 30 5 2 0 0 0 0 31 6 2 0 0 0 0 32 7 1 0 0 0 0 33 8 1 0 0 0 0 34 32 2 0 0 0 0 35 30 1 0 0 0 0 36 33 2 0 0 0 0 37 31 1 0 0 0 0 38 23 2 0 0 0 0 39 35 2 0 0 0 0 40 24 1 0 0 0 0 41 34 1 0 0 0 0 42 19 2 0 0 0 0 43 19 1 0 0 0 0 44 22 1 0 0 0 0 45 29 1 0 0 0 0 46 42 1 0 0 0 0 47 43 2 0 0 0 0 48 47 1 0 0 0 0 8 9 2 0 0 0 0 39 23 1 0 0 0 0 38 36 1 0 0 0 0 14 20 1 0 0 0 0 48 46 2 0 0 0 0 10 6 1 0 0 0 0 24 41 2 0 0 0 0 37 40 2 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1149) S1149 > (S1149) 1-ethyl-2-[(E)-2-(3-{(E)-2-[1-ethylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-phenyl-1-cyclopenten-1-yl)ethenyl]benzo[cd]indolium tetrafluoroborate > (S1149) 125127-62-0 > (S1149) 1027.0 > (S1149) HC; DY > (S1149) Benz[cd]indolium, 1-ethyl-2-[2-[3-[(1-ethylbenz[cd]indol-2(1H)-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-, tetrafluoroborate(1-) (9CI) > (S1149) true $$$$ -ISIS- 07201111452D 20 21 0 0 0 0 0 0 0 0999 V2000 3.8667 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -3.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6250 -2.4250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -1.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -4.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 12 2 0 0 0 0 7 9 3 0 0 0 0 8 10 3 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 1 2 0 0 0 0 12 14 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 2 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 17 2 0 0 0 0 5 4 2 0 0 0 0 20 19 1 0 0 0 0 M END > (S1150) S1150 > (S1150) [(2E,4Z)-4-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)but-2-enylidene]malononitrile > (S1150) 92872-47-4 > (S1150) DY > (S1150) true $$$$ -ISIS- 07201111452D 21 22 0 0 0 0 0 0 0 0999 V2000 2.9667 -3.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6417 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -2.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3167 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -2.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -4.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 12 2 0 0 0 0 7 10 3 0 0 0 0 8 9 3 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 2 2 0 0 0 0 12 14 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 1 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 21 1 0 0 0 0 21 18 2 0 0 0 0 3 5 1 0 0 0 0 19 20 2 0 0 0 0 M END > (S1151) S1151 > (S1151) (2E)-2-[(2E,4Z)-4-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)but-2-enylidene]-3,4-dihydronaphthalen-1(2H)-one > (S1151) 93872-94-7 > (S1151) DY > (S1151) true $$$$ -ISIS- 11270914432D 50 56 0 0 0 0 0 0 0 0999 V2000 -1.4458 -5.3667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2750 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -5.3417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8875 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -8.1042 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.8667 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -7.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -8.2417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -8.9167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -7.2917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -2.3625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -2.4167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 17 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 13 1 0 0 0 0 15 18 1 0 0 0 0 17 14 2 0 0 0 0 18 12 2 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 5 2 0 0 0 0 22 6 2 0 0 0 0 23 20 1 0 0 0 0 24 29 2 0 0 0 0 25 13 1 0 0 0 0 26 15 1 0 0 0 0 27 26 1 0 0 0 0 28 22 1 0 0 0 0 29 21 1 0 0 0 0 30 1 1 0 0 0 0 31 16 1 0 0 0 0 32 16 1 0 0 0 0 33 16 1 0 0 0 0 34 16 1 0 0 0 0 35 4 1 0 0 0 0 36 9 1 0 0 0 0 37 10 1 0 0 0 0 38 24 1 0 0 0 0 39 23 1 0 0 0 0 40 19 2 0 0 0 0 41 43 1 0 0 0 0 42 37 2 0 0 0 0 43 36 2 0 0 0 0 44 25 2 0 0 0 0 45 25 1 0 0 0 0 46 30 1 0 0 0 0 47 35 1 0 0 0 0 48 44 1 0 0 0 0 49 45 2 0 0 0 0 50 49 1 0 0 0 0 10 7 2 0 0 0 0 24 19 1 0 0 0 0 40 42 1 0 0 0 0 14 27 1 0 0 0 0 50 48 2 0 0 0 0 8 6 1 0 0 0 0 20 41 2 0 0 0 0 28 23 2 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1152) S1152 > (S1152) 6-chloro-2-[(E)-2-(3-{(E)-2-[6-chloro-1-ethylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-phenyl-1-cyclopenten-1-yl)ethenyl]-1-ethylbenzo[cd]indolium tetrafluoroborate > (S1152) HC; DY > (S1152) Benz[cd]indolium, 6-chloro-2-[2-[3-[(6-chloro-1-ethylbenz[cd]indol-2(1H)-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1-ethyl-, tetrafluoroborate(1-) (9CI); Borate(1-), tetrafluoro-, 6-chloro-2-[2-[3-[(6-chloro-1-ethylbenz[cd]indol-2(1H)-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1-ethylbenz[cd]indolium; 3274U; Dye 3274U; IR 1051; PK 3274; PK 3274U > (S1152) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 1.4667 -4.0792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4292 -3.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9000 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -4.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -2.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0625 -2.8875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2000 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -4.5750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2292 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -5.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -5.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 13 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 5 2 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 20 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 2 1 0 0 0 0 17 6 2 0 0 0 0 18 6 2 0 0 0 0 19 6 2 0 0 0 0 20 22 2 0 0 0 0 21 14 2 0 0 0 0 22 24 1 0 0 0 0 23 21 1 0 0 0 0 24 23 2 0 0 0 0 25 7 1 0 0 0 0 26 7 1 0 0 0 0 27 8 1 0 0 0 0 28 8 1 0 0 0 0 29 5 1 0 0 0 0 30 9 1 0 0 0 0 31 10 1 0 0 0 0 32 11 1 0 0 0 0 33 12 1 0 0 0 0 34 12 2 0 0 0 0 35 16 2 0 0 0 0 36 16 1 0 0 0 0 37 29 2 0 0 0 0 38 30 2 0 0 0 0 39 32 2 0 0 0 0 40 37 1 0 0 0 0 41 36 2 0 0 0 0 42 35 1 0 0 0 0 43 34 1 0 0 0 0 44 33 2 0 0 0 0 45 43 2 0 0 0 0 46 41 1 0 0 0 0 10 8 1 0 0 0 0 45 44 1 0 0 0 0 40 31 2 0 0 0 0 9 11 2 0 0 0 0 39 38 1 0 0 0 0 46 42 2 0 0 0 0 M CHG 2 1 1 15 -1 M END > (S1154) S1154 > (S1154) 2-[(1E,3E,5E)-7-(3,3-dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3,3-dimethyl-1-phenyl-3H-indolium perchlorate > (S1154) 84591-87-7 > (S1154) 228-230 ?C > (S1154) HC; DY > (S1154) 3H-Indolium, 2-[7-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3,3-dimethyl-1-phenyl-, perchlorate (9CI) > (S1154) true $$$$ -ISIS- 07201111452D 42 46 0 0 0 0 0 0 0 0999 V2000 2.8667 -4.7292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0542 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -4.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9292 -3.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2292 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6875 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -7.1417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -6.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4333 -7.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -7.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 2 1 0 0 0 0 14 10 1 0 0 0 0 15 17 1 0 0 0 0 16 6 1 0 0 0 0 17 19 2 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 20 22 1 0 0 0 0 21 12 1 0 0 0 0 22 13 2 0 0 0 0 23 14 2 0 0 0 0 24 1 1 0 0 0 0 25 3 1 0 0 0 0 26 4 1 0 0 0 0 27 4 1 0 0 0 0 28 7 1 0 0 0 0 29 7 1 0 0 0 0 30 11 2 0 0 0 0 31 12 2 0 0 0 0 32 21 2 0 0 0 0 33 20 2 0 0 0 0 34 31 1 0 0 0 0 35 30 1 0 0 0 0 36 33 1 0 0 0 0 37 34 2 0 0 0 0 7 8 1 0 0 0 0 11 20 1 0 0 0 0 35 36 2 0 0 0 0 9 10 2 0 0 0 0 23 21 1 0 0 0 0 32 37 1 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 15 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 39 38 1 0 0 0 0 40 38 2 0 0 0 0 41 38 2 0 0 0 0 42 38 2 0 0 0 0 M CHG 2 1 1 39 -1 M END > (S1156) S1156 > (S1156) 1,1,3-trimethyl-2-[(1E,3E)-5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-1H-benzo[e]indolium perchlorate > (S1156) 54389-98-9 > (S1156) DY > (S1156) true $$$$ -ISIS- 11270914432D 26 29 0 0 0 0 0 0 0 0999 V2000 3.8917 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -5.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6417 -4.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -3.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 12 2 0 0 0 0 9 1 2 0 0 0 0 10 16 1 0 0 0 0 11 4 2 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 2 1 0 0 0 0 18 5 1 0 0 0 0 19 7 1 0 0 0 0 20 6 1 0 0 0 0 21 10 1 0 0 0 0 22 17 1 0 0 0 0 23 19 2 0 0 0 0 24 18 2 0 0 0 0 25 20 2 0 0 0 0 26 21 2 0 0 0 0 5 6 2 0 0 0 0 24 25 1 0 0 0 0 10 7 2 0 0 0 0 26 23 1 0 0 0 0 M END > (S1158) S1158 > (S1158) (2E)-2-[(2E,4Z)-4-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)but-2-enylidene]-3,4-dihydronaphthalen-1(2H)-one > (S1158) none > (S1158) 145-146 ?C > (S1158) HC; DY > (S1158) true $$$$ -ISIS- 11270914432D 25 28 0 0 0 0 0 0 0 0999 V2000 4.1917 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -2.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9417 -1.6917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9125 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3333 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 12 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 1 2 0 0 0 0 12 15 1 0 0 0 0 13 4 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 2 1 0 0 0 0 17 6 1 0 0 0 0 18 8 1 0 0 0 0 19 7 1 0 0 0 0 20 9 1 0 0 0 0 21 16 1 0 0 0 0 22 17 2 0 0 0 0 23 18 2 0 0 0 0 24 20 2 0 0 0 0 25 19 2 0 0 0 0 6 7 2 0 0 0 0 22 25 1 0 0 0 0 9 8 2 0 0 0 0 23 24 1 0 0 0 0 M END > (S1159) S1159 > (S1159) (2E)-2-[(2E,4Z)-4-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)but-2-enylidene]indan-1-one > (S1159) none > (S1159) 230-231 ?C > (S1159) HC; DY > (S1159) true $$$$ -ISIS- 11270914432D 26 29 0 0 0 0 0 0 0 0999 V2000 3.0250 -3.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7667 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 7 1 0 0 0 0 11 2 2 0 0 0 0 12 15 1 0 0 0 0 13 6 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 1 1 0 0 0 0 17 3 1 0 0 0 0 18 3 1 0 0 0 0 19 4 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 19 2 0 0 0 0 24 23 1 0 0 0 0 25 21 2 0 0 0 0 26 22 2 0 0 0 0 5 3 1 0 0 0 0 24 20 2 0 0 0 0 9 8 2 0 0 0 0 25 26 1 0 0 0 0 M END > (S1161) S1161 > (S1161) (2E)-2-[(2E,4E)-4-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)but-2-enylidene]indan-1-one > (S1161) none > (S1161) 187-188 ?C > (S1161) HC; DY > (S1161) true $$$$ -ISIS- 11270914432D 27 30 0 0 0 0 0 0 0 0999 V2000 1.3375 -6.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1042 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8167 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 6 1 0 0 0 0 8 12 2 0 0 0 0 9 2 2 0 0 0 0 10 16 1 0 0 0 0 11 6 2 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 1 1 0 0 0 0 18 3 1 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 5 1 0 0 0 0 22 7 1 0 0 0 0 23 10 1 0 0 0 0 24 25 1 0 0 0 0 25 20 2 0 0 0 0 26 22 2 0 0 0 0 27 23 2 0 0 0 0 5 3 1 0 0 0 0 24 21 2 0 0 0 0 10 7 2 0 0 0 0 27 26 1 0 0 0 0 M END > (S1162) S1162 > (S1162) (2E)-2-[(2E,4E)-4-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)but-2-enylidene]-3,4-dihydronaphthalen-1(2H)-one > (S1162) none > (S1162) 187-188 ?C > (S1162) HC; DY > (S1162) true $$$$ -ISIS- 11270914432D 44 48 0 0 0 0 0 0 0 0999 V2000 2.3000 -4.2542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1250 -4.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3417 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -7.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -3.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9542 -3.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6042 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -6.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3417 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -7.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -6.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -7.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 13 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 5 2 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 20 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 2 1 0 0 0 0 17 6 2 0 0 0 0 18 6 2 0 0 0 0 19 6 2 0 0 0 0 20 22 2 0 0 0 0 21 14 2 0 0 0 0 22 21 1 0 0 0 0 23 7 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 8 1 0 0 0 0 27 5 1 0 0 0 0 28 9 1 0 0 0 0 29 11 1 0 0 0 0 30 10 1 0 0 0 0 31 12 1 0 0 0 0 32 12 2 0 0 0 0 33 16 2 0 0 0 0 34 16 1 0 0 0 0 35 27 2 0 0 0 0 36 28 2 0 0 0 0 37 35 1 0 0 0 0 38 29 2 0 0 0 0 39 34 2 0 0 0 0 40 33 1 0 0 0 0 41 32 1 0 0 0 0 42 31 2 0 0 0 0 43 41 2 0 0 0 0 44 39 1 0 0 0 0 10 8 1 0 0 0 0 43 42 1 0 0 0 0 37 30 2 0 0 0 0 9 11 2 0 0 0 0 38 36 1 0 0 0 0 44 40 2 0 0 0 0 M CHG 2 1 1 15 -1 M END > (S1169) S1169 > (S1169) 2-[(1E,3E)-5-(3,3-dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-phenyl-3H-indolium perchlorate > (S1169) 288403-55-4 > (S1169) 190 ?C > (S1169) 654.0 > (S1169) HC; DY > (S1169) 3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-phenyl-, perchlorate (9CI) > (S1169) true $$$$ -ISIS- 11270914432D 52 58 0 0 0 0 0 0 0 0999 V2000 5.2625 -5.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6042 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -5.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7917 -4.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7667 -3.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9542 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9375 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -7.2292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7542 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -6.8167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0917 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -6.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -7.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9375 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2542 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4000 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8625 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2917 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 14 1 0 0 0 0 17 16 2 0 0 0 0 18 13 2 0 0 0 0 19 8 2 0 0 0 0 20 9 1 0 0 0 0 21 4 2 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 11 2 0 0 0 0 25 11 2 0 0 0 0 26 11 2 0 0 0 0 27 14 1 0 0 0 0 28 15 1 0 0 0 0 29 28 1 0 0 0 0 30 32 2 0 0 0 0 31 20 2 0 0 0 0 32 21 1 0 0 0 0 33 22 2 0 0 0 0 34 1 1 0 0 0 0 35 5 1 0 0 0 0 36 6 1 0 0 0 0 37 6 1 0 0 0 0 38 7 1 0 0 0 0 39 7 1 0 0 0 0 40 19 1 0 0 0 0 41 20 1 0 0 0 0 42 27 2 0 0 0 0 43 27 1 0 0 0 0 44 31 1 0 0 0 0 45 30 1 0 0 0 0 46 41 2 0 0 0 0 47 40 2 0 0 0 0 48 43 2 0 0 0 0 49 42 1 0 0 0 0 50 45 2 0 0 0 0 51 46 1 0 0 0 0 52 48 1 0 0 0 0 7 8 1 0 0 0 0 19 30 1 0 0 0 0 47 50 1 0 0 0 0 29 16 1 0 0 0 0 52 49 2 0 0 0 0 9 10 2 0 0 0 0 33 31 1 0 0 0 0 44 51 2 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1177) S1177 > (S1177) 1,1,3-trimethyl-2-((E)-2-{2-phenyl-3-[(E)-2-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl}ethenyl)-1H-benzo[e]indolium perchlorate > (S1177) 348626-56-2 > (S1177) 822.0 > (S1177) HC; DY > (S1177) 1H-Benz[e]indolium, 2-[2-[3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,1,3-trimethyl-, perchlorate (9CI) > (S1177) true $$$$ -ISIS- 11270914432D 51 56 0 0 0 0 0 0 0 0999 V2000 4.3667 -6.2000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.1667 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 -6.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3625 -5.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8875 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -5.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3667 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -7.7417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.5875 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4042 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5625 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -7.3375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8625 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -4.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6792 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4042 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8167 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3292 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5917 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4167 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 19 2 0 0 0 0 8 1 2 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 12 2 1 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 18 2 0 0 0 0 16 30 2 0 0 0 0 17 6 2 0 0 0 0 18 16 1 0 0 0 0 19 26 1 0 0 0 0 20 11 1 0 0 0 0 21 8 1 0 0 0 0 22 33 1 0 0 0 0 23 11 2 0 0 0 0 24 11 2 0 0 0 0 25 11 2 0 0 0 0 26 29 2 0 0 0 0 27 21 2 0 0 0 0 28 12 2 0 0 0 0 29 15 1 0 0 0 0 30 27 1 0 0 0 0 31 14 1 0 0 0 0 32 22 1 0 0 0 0 33 16 1 0 0 0 0 34 35 2 0 0 0 0 35 17 1 0 0 0 0 36 1 1 0 0 0 0 37 4 1 0 0 0 0 38 5 1 0 0 0 0 39 5 1 0 0 0 0 40 9 1 0 0 0 0 41 9 1 0 0 0 0 42 12 1 0 0 0 0 43 13 1 0 0 0 0 44 22 1 0 0 0 0 45 22 1 0 0 0 0 46 28 1 0 0 0 0 47 34 1 0 0 0 0 48 42 2 0 0 0 0 49 43 2 0 0 0 0 50 48 1 0 0 0 0 51 47 2 0 0 0 0 9 10 1 0 0 0 0 34 13 1 0 0 0 0 49 51 1 0 0 0 0 15 32 1 0 0 0 0 2 3 2 0 0 0 0 31 28 1 0 0 0 0 46 50 2 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1178) S1178 > (S1178) 2-((E)-3-{5,5-dimethyl-3-[(E)-3-(1,1,3-trimethyl-1,3,4,5-tetrahydro-2H-benzo[e]indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene}-1-propenyl)-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate > (S1178) none > (S1178) 205 ?C > (S1178) 905.0 > (S1178) HC; DY > (S1178) true $$$$ -ISIS- 11270914432D 42 48 0 0 0 0 0 0 0 0999 V2000 2.2417 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -4.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6625 -4.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0625 -3.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1000 -3.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2417 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6792 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 17 1 0 0 0 0 12 1 2 0 0 0 0 13 15 1 0 0 0 0 14 13 1 0 0 0 0 15 16 2 0 0 0 0 16 12 1 0 0 0 0 17 14 2 0 0 0 0 18 7 1 0 0 0 0 19 8 1 0 0 0 0 20 9 1 0 0 0 0 21 10 1 0 0 0 0 22 13 2 0 0 0 0 23 24 1 0 0 0 0 24 15 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 20 2 0 0 0 0 28 21 2 0 0 0 0 29 3 1 0 0 0 0 30 4 1 0 0 0 0 31 5 1 0 0 0 0 32 5 1 0 0 0 0 33 6 1 0 0 0 0 34 6 1 0 0 0 0 35 18 2 0 0 0 0 36 19 2 0 0 0 0 37 26 2 0 0 0 0 38 25 2 0 0 0 0 39 36 1 0 0 0 0 40 35 1 0 0 0 0 41 40 2 0 0 0 0 42 39 2 0 0 0 0 9 7 2 0 0 0 0 27 25 1 0 0 0 0 14 23 1 0 0 0 0 38 41 1 0 0 0 0 10 8 2 0 0 0 0 26 28 1 0 0 0 0 42 37 1 0 0 0 0 M END > (S1180) S1180 > (S1180) 2,5-bis[(E)-2-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]cyclopentanone > (S1180) none > (S1180) 599.0 > (S1180) HC; DY > (S1180) true $$$$ -ISIS- 11270914432D 50 56 0 0 0 0 0 0 0 0999 V2000 1.4417 -2.5500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -2.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8042 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -1.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9125 -1.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1667 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -4.6167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.1542 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 16 1 0 0 0 0 12 3 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 17 12 2 0 0 0 0 18 1 1 0 0 0 0 19 4 1 0 0 0 0 20 13 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 24 6 1 0 0 0 0 25 6 1 0 0 0 0 26 7 1 0 0 0 0 27 7 1 0 0 0 0 28 5 1 0 0 0 0 29 8 1 0 0 0 0 30 10 1 0 0 0 0 31 9 1 0 0 0 0 32 18 1 0 0 0 0 33 18 2 0 0 0 0 34 19 2 0 0 0 0 35 19 1 0 0 0 0 36 20 2 0 0 0 0 37 20 1 0 0 0 0 38 28 2 0 0 0 0 39 29 2 0 0 0 0 40 38 1 0 0 0 0 41 30 2 0 0 0 0 42 33 1 0 0 0 0 43 32 2 0 0 0 0 44 35 2 0 0 0 0 45 36 1 0 0 0 0 46 37 2 0 0 0 0 47 34 1 0 0 0 0 48 42 2 0 0 0 0 49 44 1 0 0 0 0 50 46 1 0 0 0 0 9 7 1 0 0 0 0 48 43 1 0 0 0 0 40 31 2 0 0 0 0 15 21 1 0 0 0 0 50 45 2 0 0 0 0 8 10 2 0 0 0 0 41 39 1 0 0 0 0 49 47 2 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1182) S1182 > (S1182) 2-((E)-2-{3-[(E)-2-(3,3-dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl}ethenyl)-3,3-dimethyl-1-phenyl-3H-indolium chloride > (S1182) None > (S1182) 181-182 ?C > (S1182) 803.0 > (S1182) HC; DY > (S1182) true $$$$ -ISIS- 11270914432D 51 56 0 0 0 0 0 0 0 0999 V2000 1.5750 -5.7875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2667 -5.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.5250 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -4.8292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -4.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8292 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8417 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6625 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -4.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0917 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0667 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -6.5917 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.3000 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0875 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4292 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9042 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9167 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 20 2 0 0 0 0 4 1 2 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 15 2 0 0 0 0 14 25 2 0 0 0 0 15 14 1 0 0 0 0 16 28 1 0 0 0 0 17 12 2 0 0 0 0 18 7 1 0 0 0 0 19 10 1 0 0 0 0 20 23 1 0 0 0 0 21 4 1 0 0 0 0 22 30 1 0 0 0 0 23 26 2 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 26 13 1 0 0 0 0 27 19 2 0 0 0 0 28 18 2 0 0 0 0 29 22 1 0 0 0 0 30 14 1 0 0 0 0 32 1 1 0 0 0 0 33 17 1 0 0 0 0 34 16 1 0 0 0 0 35 2 1 0 0 0 0 36 8 1 0 0 0 0 37 8 1 0 0 0 0 38 9 1 0 0 0 0 39 9 1 0 0 0 0 40 22 1 0 0 0 0 41 22 1 0 0 0 0 42 33 2 0 0 0 0 43 33 1 0 0 0 0 44 34 2 0 0 0 0 45 34 1 0 0 0 0 46 43 2 0 0 0 0 47 44 1 0 0 0 0 48 45 2 0 0 0 0 49 42 1 0 0 0 0 50 46 1 0 0 0 0 51 48 1 0 0 0 0 9 5 1 0 0 0 0 11 16 2 0 0 0 0 51 47 2 0 0 0 0 13 29 1 0 0 0 0 6 10 2 0 0 0 0 27 17 1 0 0 0 0 50 49 2 0 0 0 0 M CHG 2 1 1 31 -1 M END > (S1197) S1197 > (S1197) 2-((E)-3-{5,5-dimethyl-3-[(E)-3-(1,3,3-trimethyl-5-phenyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene}-1-propenyl)-1,3,3-trimethyl-5-phenyl-3H-indolium iodide > (S1197) none > (S1197) 233 ?C > (S1197) 895.0 > (S1197) HC; DY > (S1197) true $$$$ -ISIS- 11270914432D 32 36 0 0 0 0 0 0 0 0999 V2000 2.3042 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -3.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6292 -2.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9417 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 15 1 0 0 0 0 10 1 2 0 0 0 0 11 17 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 17 14 2 0 0 0 0 18 9 2 0 0 0 0 19 15 1 0 0 0 0 20 19 1 0 0 0 0 21 4 1 0 0 0 0 22 3 1 0 0 0 0 23 7 1 0 0 0 0 24 8 1 0 0 0 0 25 13 1 0 0 0 0 26 12 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 23 2 0 0 0 0 30 24 2 0 0 0 0 31 25 2 0 0 0 0 32 26 2 0 0 0 0 7 13 2 0 0 0 0 29 31 1 0 0 0 0 14 20 1 0 0 0 0 8 12 2 0 0 0 0 32 30 1 0 0 0 0 M END > (S1200) S1200 > (S1200) 2,5-bis{(E)-2-[3-ethyl-1,3-benzoxazol-2(3H)-ylidene]ethylidene}cyclopentanone > (S1200) none > (S1200) 213 ?C > (S1200) HC; DY > (S1200) true $$$$ -ISIS- 11270914432D 33 37 0 0 0 0 0 0 0 0999 V2000 8.1125 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -2.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8500 -2.3375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2042 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6667 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 15 1 0 0 0 0 10 17 1 0 0 0 0 11 1 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 17 14 2 0 0 0 0 18 9 2 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 27 1 0 0 0 0 22 15 1 0 0 0 0 23 7 1 0 0 0 0 24 8 1 0 0 0 0 25 12 1 0 0 0 0 26 13 1 0 0 0 0 27 22 1 0 0 0 0 28 19 1 0 0 0 0 29 20 1 0 0 0 0 30 24 2 0 0 0 0 31 23 2 0 0 0 0 32 26 2 0 0 0 0 33 25 2 0 0 0 0 8 12 2 0 0 0 0 33 30 1 0 0 0 0 21 14 1 0 0 0 0 7 13 2 0 0 0 0 31 32 1 0 0 0 0 M END > (S1201) S1201 > (S1201) 2,6-bis{(E)-2-[3-ethyl-1,3-benzoxazol-2(3H)-ylidene]ethylidene}cyclohexanone > (S1201) none > (S1201) 208-209 ?C > (S1201) HC; DY > (S1201) true $$$$ -ISIS- 11270914432D 50 53 0 0 0 0 0 0 0 0999 V2000 1.8542 -2.8042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8917 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -3.6250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.3000 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -2.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2167 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -1.6667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.6542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -4.3417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4542 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 -0.3250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8042 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 7 1 0 0 0 0 14 24 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 3 1 0 0 0 0 18 12 2 0 0 0 0 19 13 2 0 0 0 0 20 18 1 0 0 0 0 21 15 2 0 0 0 0 22 4 1 0 0 0 0 23 4 1 0 0 0 0 24 28 2 0 0 0 0 25 17 2 0 0 0 0 26 4 2 0 0 0 0 27 4 2 0 0 0 0 28 25 1 0 0 0 0 29 1 1 0 0 0 0 30 22 1 0 0 0 0 31 22 2 0 0 0 0 32 20 1 0 0 0 0 33 21 1 0 0 0 0 34 6 1 0 0 0 0 35 18 1 0 0 0 0 36 19 1 0 0 0 0 37 30 2 0 0 0 0 38 31 1 0 0 0 0 39 38 2 0 0 0 0 40 44 1 0 0 0 0 41 28 1 0 0 0 0 42 33 1 0 0 0 0 43 32 1 0 0 0 0 44 50 1 0 0 0 0 45 39 1 0 0 0 0 46 36 1 0 0 0 0 47 35 1 0 0 0 0 48 29 1 0 0 0 0 49 34 1 0 0 0 0 50 41 1 0 0 0 0 10 9 1 0 0 0 0 20 16 2 0 0 0 0 7 11 2 0 0 0 0 21 19 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1204) S1204 > (S1204) 3-ethyl-2-[(1E,3E)-5-[3-ethyl-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-2(3H)-ylidene]-3-(3-hydroxypropyl)-1,3-pentadienyl]-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-3-ium 4-methylbenzenesulfo nate > (S1204) none > (S1204) 209 ?C > (S1204) 697.0 > (S1204) HC; DY > (S1204) true $$$$ -ISIS- 11270914432D 42 44 0 0 0 0 0 0 0 0999 V2000 1.6667 -2.7875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7000 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -2.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0292 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -1.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 -1.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -4.0083 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.5125 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -0.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -0.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -4.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -4.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 21 1 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 3 1 0 0 0 0 17 12 2 0 0 0 0 18 11 2 0 0 0 0 19 15 2 0 0 0 0 20 18 1 0 0 0 0 21 23 2 0 0 0 0 22 16 2 0 0 0 0 23 22 1 0 0 0 0 25 1 1 0 0 0 0 26 20 1 0 0 0 0 27 19 1 0 0 0 0 28 5 1 0 0 0 0 29 17 1 0 0 0 0 30 18 1 0 0 0 0 31 39 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 34 23 1 0 0 0 0 35 25 1 0 0 0 0 36 28 1 0 0 0 0 37 26 1 0 0 0 0 38 27 1 0 0 0 0 39 42 1 0 0 0 0 40 30 1 0 0 0 0 41 29 1 0 0 0 0 42 34 1 0 0 0 0 9 8 1 0 0 0 0 20 14 2 0 0 0 0 6 10 2 0 0 0 0 19 17 1 0 0 0 0 M CHG 2 1 1 24 -1 M END > (S1215) S1215 > (S1215) 3-(2-hydroxyethyl)-2-[(1E,3E)-5-[3-(2-hydroxyethyl)-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-2(3H)-ylidene]-3-(3-hydroxypropyl)-1,3-pentadienyl]-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-3-iu m iodide > (S1215) none > (S1215) 198-199 ?C > (S1215) 699.0 > (S1215) HC; DY > (S1215) true $$$$ -ISIS- 11270914432D 48 53 0 0 0 0 0 0 0 0999 V2000 1.8125 -3.0292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2000 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -5.6500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.8292 -3.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4917 -1.7750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -1.7875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -6.3667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4917 -5.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 14 2 0 0 0 0 10 5 1 0 0 0 0 11 8 2 0 0 0 0 12 6 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 9 1 0 0 0 0 16 3 1 0 0 0 0 17 15 2 0 0 0 0 18 16 2 0 0 0 0 19 4 1 0 0 0 0 20 4 1 0 0 0 0 21 4 2 0 0 0 0 22 4 2 0 0 0 0 23 9 1 0 0 0 0 24 25 1 0 0 0 0 25 14 1 0 0 0 0 26 1 1 0 0 0 0 27 19 1 0 0 0 0 28 19 2 0 0 0 0 29 5 1 0 0 0 0 30 27 2 0 0 0 0 31 28 1 0 0 0 0 32 31 2 0 0 0 0 33 8 1 0 0 0 0 34 10 1 0 0 0 0 35 12 1 0 0 0 0 36 11 1 0 0 0 0 37 23 2 0 0 0 0 38 23 1 0 0 0 0 39 32 1 0 0 0 0 40 26 1 0 0 0 0 41 29 1 0 0 0 0 42 34 2 0 0 0 0 43 33 2 0 0 0 0 44 35 2 0 0 0 0 45 43 1 0 0 0 0 46 37 1 0 0 0 0 47 38 2 0 0 0 0 48 47 1 0 0 0 0 11 7 1 0 0 0 0 45 36 2 0 0 0 0 15 24 1 0 0 0 0 48 46 2 0 0 0 0 10 12 2 0 0 0 0 44 42 1 0 0 0 0 30 32 1 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1218) S1218 > (S1218) 3-ethyl-2-[(E)-2-(3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-phenyl-1-cyclopenten-1-yl)ethenyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1218) none > (S1218) 219-220 ?C > (S1218) 808.0 > (S1218) HC; DY > (S1218) Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI) > (S1218) true $$$$ -ISIS- 07201111452D 28 30 0 0 0 0 0 0 0 0999 V2000 3.0167 -3.6542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6125 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -3.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7917 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -5.5042 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 1 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 10 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 17 2 0 0 0 0 23 16 2 0 0 0 0 24 19 2 0 0 0 0 25 23 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 6 9 1 0 0 0 0 18 25 2 0 0 0 0 10 8 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 2 1 1 28 -1 M END > (S1228) S1228 > (S1228) 3-propyl-2-{(E)-3-[3-propyl-1,3-benzoxazol-2(3H)-ylidene]-1-propenyl}-1,3-benzoxazol-3-ium iodide > (S1228) 53213-79-9 > (S1228) DY > (S1228) true $$$$ -ISIS- 11270914432D 30 32 0 0 0 0 0 0 0 0999 V2000 -4.7583 1.6125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8333 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.6625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7208 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 2.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2042 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6083 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 0.5083 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 -4.8708 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8458 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4875 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1792 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8708 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5958 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 17 1 1 0 0 0 0 18 4 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 20 2 0 0 0 0 26 19 2 0 0 0 0 27 22 2 0 0 0 0 28 26 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 9 6 1 0 0 0 0 28 21 2 0 0 0 0 8 10 2 0 0 0 0 27 25 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1229) S1229 > (S1229) 3-propyl-2-{(1E,3E)-5-[3-propyl-1,3-benzoxazol-2(3H)-ylidene]-1,3-pentadienyl}-1,3-benzoxazol-3-ium iodide > (S1229) 53213-90-4 > (S1229) DY > (S1229) true $$$$ -ISIS- 07201111452D 31 34 0 0 0 0 0 0 0 0999 V2000 3.1167 -3.4000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -3.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7917 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -5.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 1 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 10 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 21 1 0 0 0 0 25 20 1 0 0 0 0 26 16 2 0 0 0 0 27 17 2 0 0 0 0 28 19 2 0 0 0 0 29 26 1 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 6 9 1 0 0 0 0 18 29 2 0 0 0 0 10 8 2 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 1 1 M END > (S1230) S1230 > (S1230) 3-pentyl-2-{(E)-3-[3-pentyl-1,3-benzoxazol-2(3H)-ylidene]-1-propenyl}-1,3-benzoxazol-3-ium iodide > (S1230) 60031-82-5 > (S1230) DY > (S1230) true $$$$ -ISIS- 11270914432D 32 34 0 0 0 0 0 0 0 0999 V2000 2.7417 -2.4542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3542 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -2.5375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5292 -1.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -4.0792 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.5917 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 15 1 1 0 0 0 0 16 4 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 10 1 0 0 0 0 20 9 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 17 2 0 0 0 0 28 18 2 0 0 0 0 29 27 1 0 0 0 0 30 19 2 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 9 6 1 0 0 0 0 29 20 2 0 0 0 0 8 10 2 0 0 0 0 30 28 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1233) S1233 > (S1233) 3-pentyl-2-{(E)-3-[3-pentyl-1,3-benzothiazol-2(3H)-ylidene]-1-propenyl}-1,3-benzothiazol-3-ium iodide > (S1233) 53213-86-8 > (S1233) 210-211 ?C > (S1233) HC; DY > (S1233) Benzothiazolium, 3-pentyl-2-[3-(3-pentyl-2(3H)-benzothiazolylidene)-1-propenyl]-, iodide (9CI); 3,3'-Dipentylthiacarbocyanine iodide > (S1233) true $$$$ -ISIS- 11270914432D 34 36 0 0 0 0 0 0 0 0999 V2000 -4.8125 2.2333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8750 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 2.0083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7083 2.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2333 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0417 0.6583 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 -4.9583 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2042 3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1792 3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8458 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3292 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 17 1 1 0 0 0 0 18 4 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 23 1 0 0 0 0 28 24 1 0 0 0 0 29 20 2 0 0 0 0 30 19 2 0 0 0 0 31 22 2 0 0 0 0 32 30 1 0 0 0 0 33 25 1 0 0 0 0 34 26 1 0 0 0 0 9 6 1 0 0 0 0 32 21 2 0 0 0 0 8 10 2 0 0 0 0 31 29 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1234) S1234 > (S1234) 3-pentyl-2-{(1E,3E)-5-[3-pentyl-1,3-benzoxazol-2(3H)-ylidene]-1,3-pentadienyl}-1,3-benzoxazol-3-ium iodide > (S1234) 53213-92-6 > (S1234) DY > (S1234) true $$$$ -ISIS- 11270914432D 42 45 0 0 0 0 0 0 0 0999 V2000 2.1917 -2.0750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9042 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -2.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1292 -1.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.1667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -3.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.9875 -4.6125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.1000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -3.1667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1667 -4.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3125 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -4.9167 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 4.8792 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 10 3 1 0 0 0 0 11 1 1 0 0 0 0 12 10 2 0 0 0 0 13 4 1 0 0 0 0 14 11 2 0 0 0 0 15 5 1 0 0 0 0 16 1 1 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 19 4 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 7 2 0 0 0 0 23 7 2 0 0 0 0 24 8 2 0 0 0 0 25 8 2 0 0 0 0 27 28 1 0 0 0 0 28 10 1 0 0 0 0 29 11 1 0 0 0 0 30 13 1 0 0 0 0 31 14 1 0 0 0 0 32 15 1 0 0 0 0 33 26 1 0 0 0 0 34 26 1 0 0 0 0 35 26 1 0 0 0 0 36 35 1 0 0 0 0 37 34 1 0 0 0 0 38 33 1 0 0 0 0 39 30 2 0 0 0 0 40 29 2 0 0 0 0 41 32 2 0 0 0 0 42 40 1 0 0 0 0 6 14 1 0 0 0 0 42 31 2 0 0 0 0 9 27 1 0 0 0 0 13 15 2 0 0 0 0 41 39 1 0 0 0 0 M CHG 4 1 1 20 -1 21 -1 26 1 M END > (S1235) S1235 > (S1235) N,N-diethyl-1-ethanaminium 2-(2-{3-[3-(2-sulfonatoethyl)-1,3-benzothiazol-3-ium-2-yl]-2-cyclopenten-1-ylidene}-1,3-benzothiazol-3-yl)-1-ethanesulfonate > (S1235) none > (S1235) 222-223 ?C > (S1235) 614.0 > (S1235) HC; DY > (S1235) true $$$$ -ISIS- 11270914432D 31 32 0 0 0 0 0 0 0 0999 V2000 8.1000 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -2.1625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.7667 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -4.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7625 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -1.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -3.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8208 -3.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -4.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -5.9750 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.0417 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 23 1 0 0 0 0 6 3 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 12 10 1 0 0 0 0 13 2 2 0 0 0 0 14 5 1 0 0 0 0 15 5 2 0 0 0 0 16 5 2 0 0 0 0 17 6 2 0 0 0 0 18 3 2 0 0 0 0 19 21 1 0 0 0 0 20 17 1 0 0 0 0 21 20 2 0 0 0 0 22 1 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 7 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 22 1 0 0 0 0 30 28 2 0 0 0 0 31 30 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 27 31 2 0 0 0 0 M CHG 2 14 -1 26 1 M END > (S1240) S1240 > (S1240) sodium 3-[(4E)-4-[(2E,4Z)-4-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)but-2-enylidene]quinolin-1(4H)-yl]propane-1-sulfonate > (S1240) 68107-18-6 > (S1240) 177-178 ?C > (S1240) HC; DY > (S1240) 1(4H)-Quinolinepropanesulfonic acid, 4-[4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene]-, sodium salt (9CI); NK 2495 > (S1240) true $$$$ -ISIS- 11270914432D 35 37 0 0 0 0 0 0 0 0999 V2000 3.0500 -2.6500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5292 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -3.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -1.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2667 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.8917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1875 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -0.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 4 2 0 0 0 0 12 4 2 0 0 0 0 13 19 1 0 0 0 0 14 13 1 0 0 0 0 15 8 2 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 20 17 1 0 0 0 0 21 5 1 0 0 0 0 22 5 1 0 0 0 0 23 3 1 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 6 1 0 0 0 0 27 14 1 0 0 0 0 28 14 1 0 0 0 0 29 7 2 0 0 0 0 30 7 1 0 0 0 0 31 23 2 0 0 0 0 32 31 1 0 0 0 0 33 30 2 0 0 0 0 34 29 1 0 0 0 0 35 33 1 0 0 0 0 6 5 1 0 0 0 0 35 34 2 0 0 0 0 32 26 2 0 0 0 0 13 18 2 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S1244) S1244 > (S1244) 2-{(1E,3E)-4-[4-(dimethylamino)phenyl]-1,3-butadienyl}-3,3-dimethyl-1-phenyl-3H-indolium perchlorate > (S1244) 43217-07-8 > (S1244) 158-159 ?C > (S1244) 644.0 > (S1244) HC; DY > (S1244) 3H-Indolium, 2-[4-[4-(dimethylamino)phenyl]-1,3-butadienyl]-3,3-dimethyl-1-phenyl-, perchlorate (9CI); 2-(4-p-Dimethylaminophenyl-1,3-butadienyl)-3,3-dimethyl-1-phenylindolinium perchlorate; PK 4255 > (S1244) true $$$$ -ISIS- 11270914432D 47 52 0 0 0 0 0 0 0 0999 V2000 4.2917 -1.2042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5000 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4625 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -1.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5542 -3.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 -0.9375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -2.4167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.5792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4292 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 22 2 0 0 0 0 7 16 1 0 0 0 0 8 6 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 14 2 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 19 5 1 0 0 0 0 20 2 1 0 0 0 0 21 9 1 0 0 0 0 22 29 1 0 0 0 0 23 3 1 0 0 0 0 24 9 2 0 0 0 0 25 9 2 0 0 0 0 26 9 2 0 0 0 0 27 16 1 0 0 0 0 28 20 2 0 0 0 0 29 31 2 0 0 0 0 30 1 1 0 0 0 0 31 28 1 0 0 0 0 32 8 1 0 0 0 0 33 13 1 0 0 0 0 34 15 1 0 0 0 0 35 17 1 0 0 0 0 36 18 1 0 0 0 0 37 23 1 0 0 0 0 38 23 2 0 0 0 0 39 30 1 0 0 0 0 40 32 1 0 0 0 0 41 33 2 0 0 0 0 42 34 2 0 0 0 0 43 35 2 0 0 0 0 44 36 2 0 0 0 0 45 38 1 0 0 0 0 46 37 2 0 0 0 0 47 45 2 0 0 0 0 5 3 1 0 0 0 0 27 19 2 0 0 0 0 17 18 2 0 0 0 0 47 46 1 0 0 0 0 43 44 1 0 0 0 0 13 15 2 0 0 0 0 42 41 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1245) S1245 > (S1245) 6-(1,3-benzothiazol-2-yl)-1-ethyl-2-{(1E,3E)-5-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl}-3-phenyl-3H-benzimidazol-1-ium perchlorate > (S1245) none > (S1245) 184-185 ?C > (S1245) 629.0 > (S1245) HC; DY > (S1245) true $$$$ -ISIS- 11270914432D 48 53 0 0 0 0 0 0 0 0999 V2000 4.1167 -1.5292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3167 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -0.2875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2917 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -2.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9792 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -4.8000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -3.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6250 -2.7917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -4.3833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9250 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -5.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6792 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 4 2 0 0 0 0 7 22 2 0 0 0 0 8 16 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 19 6 1 0 0 0 0 20 2 1 0 0 0 0 21 9 1 0 0 0 0 22 29 1 0 0 0 0 23 3 1 0 0 0 0 24 9 2 0 0 0 0 25 9 2 0 0 0 0 26 9 2 0 0 0 0 27 16 1 0 0 0 0 28 20 2 0 0 0 0 29 31 2 0 0 0 0 30 1 1 0 0 0 0 31 28 1 0 0 0 0 32 5 1 0 0 0 0 33 11 1 0 0 0 0 34 11 1 0 0 0 0 35 13 1 0 0 0 0 36 14 1 0 0 0 0 37 17 1 0 0 0 0 38 18 1 0 0 0 0 39 23 1 0 0 0 0 40 23 2 0 0 0 0 41 30 1 0 0 0 0 42 36 2 0 0 0 0 43 35 2 0 0 0 0 44 38 2 0 0 0 0 45 37 2 0 0 0 0 46 39 2 0 0 0 0 47 40 1 0 0 0 0 48 47 2 0 0 0 0 6 3 1 0 0 0 0 27 19 2 0 0 0 0 17 18 2 0 0 0 0 48 46 1 0 0 0 0 45 44 1 0 0 0 0 13 14 2 0 0 0 0 42 43 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1246) S1246 > (S1246) 6-(1,3-benzothiazol-2-yl)-1-ethyl-3-phenyl-2-[(1E,3E)-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3H-benzimidazol-1-ium perchlorate > (S1246) none > (S1246) 253-254 ?C > (S1246) 593.0 > (S1246) HC; DY > (S1246) true $$$$ -ISIS- 11270914432D 51 55 0 0 0 0 0 0 0 0999 V2000 4.1500 -0.6750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8917 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 0.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.4042 -0.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.6250 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.9167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 0.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8875 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4042 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -2.5125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4417 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -2.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8292 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7042 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7417 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0417 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0417 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5625 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6417 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0625 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 17 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 15 7 1 0 0 0 0 16 2 1 0 0 0 0 17 27 1 0 0 0 0 18 8 1 0 0 0 0 19 3 1 0 0 0 0 20 4 1 0 0 0 0 21 8 2 0 0 0 0 22 8 2 0 0 0 0 23 8 2 0 0 0 0 24 13 1 0 0 0 0 25 14 2 0 0 0 0 26 16 2 0 0 0 0 27 31 2 0 0 0 0 28 1 1 0 0 0 0 29 26 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 14 1 0 0 0 0 33 9 1 0 0 0 0 34 9 1 0 0 0 0 35 10 1 0 0 0 0 36 11 1 0 0 0 0 37 20 1 0 0 0 0 38 19 2 0 0 0 0 39 19 1 0 0 0 0 40 20 2 0 0 0 0 41 32 1 0 0 0 0 42 28 1 0 0 0 0 43 35 2 0 0 0 0 44 36 2 0 0 0 0 45 41 1 0 0 0 0 46 40 1 0 0 0 0 47 37 2 0 0 0 0 48 39 2 0 0 0 0 49 38 1 0 0 0 0 50 46 2 0 0 0 0 51 48 1 0 0 0 0 7 3 1 0 0 0 0 24 15 2 0 0 0 0 49 51 2 0 0 0 0 10 11 2 0 0 0 0 44 43 1 0 0 0 0 50 47 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1247) S1247 > (S1247) 2-[(1E,3E,5E)-7-(3,3-dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-6-(ethoxycarbonyl)-1-ethyl-3-phenyl-3H-benzimidazol-1-ium perchlorate > (S1247) none > (S1247) 600.0 > (S1247) HC; DY > (S1247) true $$$$ -ISIS- 11270914432D 30 33 0 0 0 0 0 0 0 0999 V2000 3.1500 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -3.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2125 -3.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -2.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4125 -2.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8417 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 12 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 1 2 0 0 0 0 12 14 1 0 0 0 0 13 11 1 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 13 2 0 0 0 0 17 2 1 0 0 0 0 18 3 1 0 0 0 0 19 5 1 0 0 0 0 20 5 1 0 0 0 0 21 6 1 0 0 0 0 22 6 1 0 0 0 0 23 8 1 0 0 0 0 24 7 1 0 0 0 0 25 10 1 0 0 0 0 26 9 1 0 0 0 0 27 23 2 0 0 0 0 28 25 2 0 0 0 0 29 24 2 0 0 0 0 30 26 2 0 0 0 0 7 9 2 0 0 0 0 29 30 1 0 0 0 0 8 10 2 0 0 0 0 28 27 1 0 0 0 0 M END > (S1248) S1248 > (S1248) (E)-1,5-bis(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-3-penten-2-one > (S1248) none > (S1248) 216 ?C > (S1248) 473.0 > (S1248) HC; DY > (S1248) true $$$$ -ISIS- 11270914432D 28 31 0 0 0 0 0 0 0 0999 V2000 3.2042 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -3.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2125 -3.5750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0917 -2.5542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.3875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 13 2 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 9 1 0 0 0 0 20 8 1 0 0 0 0 21 11 1 0 0 0 0 22 10 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 20 2 0 0 0 0 26 19 2 0 0 0 0 27 22 2 0 0 0 0 28 21 2 0 0 0 0 8 10 2 0 0 0 0 25 27 1 0 0 0 0 9 11 2 0 0 0 0 28 26 1 0 0 0 0 M END > (S1249) S1249 > (S1249) (E)-1,5-bis[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-3-penten-2-one > (S1249) none > (S1249) 107 ?C > (S1249) 494.0 > (S1249) HC; DY > (S1249) true $$$$ -ISIS- 11270914432D 51 57 0 0 0 0 0 0 0 0999 V2000 4.3042 -3.3792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9750 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -2.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5750 -2.3417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7500 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -5.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -1.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1875 -3.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.1167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -4.7417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2417 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -5.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 21 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 16 1 0 0 0 0 10 5 1 0 0 0 0 11 8 2 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 17 11 1 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 2 1 0 0 0 0 21 28 1 0 0 0 0 22 9 1 0 0 0 0 23 3 1 0 0 0 0 24 4 1 0 0 0 0 25 9 2 0 0 0 0 26 9 2 0 0 0 0 27 9 2 0 0 0 0 28 20 2 0 0 0 0 29 16 1 0 0 0 0 30 1 1 0 0 0 0 31 10 1 0 0 0 0 32 10 1 0 0 0 0 33 12 1 0 0 0 0 34 14 1 0 0 0 0 35 17 1 0 0 0 0 36 18 1 0 0 0 0 37 24 1 0 0 0 0 38 24 2 0 0 0 0 39 23 2 0 0 0 0 40 23 1 0 0 0 0 41 30 1 0 0 0 0 42 33 2 0 0 0 0 43 34 2 0 0 0 0 44 36 2 0 0 0 0 45 35 2 0 0 0 0 46 39 1 0 0 0 0 47 40 2 0 0 0 0 48 37 2 0 0 0 0 49 38 1 0 0 0 0 50 47 1 0 0 0 0 51 49 2 0 0 0 0 7 3 1 0 0 0 0 29 19 2 0 0 0 0 17 18 2 0 0 0 0 50 46 2 0 0 0 0 12 14 2 0 0 0 0 45 44 1 0 0 0 0 43 42 1 0 0 0 0 51 48 1 0 0 0 0 M CHG 2 1 1 22 -1 M END > (S1250) S1250 > (S1250) 6-(1,3-benzothiazol-2-yl)-2-[(E)-3-(3,3-dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-1-ethyl-3-phenyl-3H-benzimidazol-1-ium perchlorate > (S1250) none > (S1250) 182-183 ?C > (S1250) 512.0 > (S1250) HC; DY > (S1250) true $$$$ -ISIS- 11270914432D 50 55 0 0 0 0 0 0 0 0999 V2000 3.2375 -2.3500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4792 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.0792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4125 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -3.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1417 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -5.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -4.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3000 -3.4167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -4.7417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4667 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -5.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7000 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5667 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 4 2 0 0 0 0 7 22 2 0 0 0 0 8 16 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 19 6 1 0 0 0 0 20 2 1 0 0 0 0 21 9 1 0 0 0 0 22 29 1 0 0 0 0 23 3 1 0 0 0 0 24 9 2 0 0 0 0 25 9 2 0 0 0 0 26 9 2 0 0 0 0 27 16 1 0 0 0 0 28 20 2 0 0 0 0 29 32 2 0 0 0 0 30 1 1 0 0 0 0 31 33 2 0 0 0 0 32 31 1 0 0 0 0 33 28 1 0 0 0 0 34 5 1 0 0 0 0 35 11 1 0 0 0 0 36 11 1 0 0 0 0 37 13 1 0 0 0 0 38 14 1 0 0 0 0 39 17 1 0 0 0 0 40 18 1 0 0 0 0 41 23 1 0 0 0 0 42 23 2 0 0 0 0 43 30 1 0 0 0 0 44 37 2 0 0 0 0 45 38 2 0 0 0 0 46 40 2 0 0 0 0 47 39 2 0 0 0 0 48 41 2 0 0 0 0 49 42 1 0 0 0 0 50 49 2 0 0 0 0 6 3 1 0 0 0 0 27 19 2 0 0 0 0 17 18 2 0 0 0 0 50 48 1 0 0 0 0 47 46 1 0 0 0 0 13 14 2 0 0 0 0 45 44 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1252) S1252 > (S1252) 6-(1,3-benzothiazol-2-yl)-1-ethyl-3-phenyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3H-benzimidazol-1-ium perchlorate > (S1252) none > (S1252) 232-234 ?C > (S1252) 628.0 > (S1252) HC; DY > (S1252) true $$$$ -ISIS- 11270914432D 27 30 0 0 0 0 0 0 0 0999 V2000 3.6167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -3.5417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1917 -2.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -4.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1917 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 5 2 0 0 0 0 13 17 2 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 3 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 18 1 0 0 0 0 26 21 2 0 0 0 0 27 22 2 0 0 0 0 7 8 2 0 0 0 0 6 11 1 0 0 0 0 26 27 1 0 0 0 0 13 16 1 0 0 0 0 M END > (S1253) S1253 > (S1253) 2-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]cyclopentanone > (S1253) none > (S1253) 240-241 ?C > (S1253) 468.0 > (S1253) HC; DY > (S1253) true $$$$ -ISIS- 11270914432D 30 34 0 0 0 0 0 0 0 0999 V2000 2.9792 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -3.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2500 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.8417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -3.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6542 -2.5917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 14 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 16 1 0 0 0 0 15 2 1 0 0 0 0 16 13 2 0 0 0 0 17 15 1 0 0 0 0 18 8 2 0 0 0 0 19 3 1 0 0 0 0 20 6 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 22 2 0 0 0 0 28 21 2 0 0 0 0 29 24 2 0 0 0 0 30 23 2 0 0 0 0 9 11 2 0 0 0 0 13 17 1 0 0 0 0 28 30 1 0 0 0 0 10 12 2 0 0 0 0 29 27 1 0 0 0 0 M END > (S1254) S1254 > (S1254) 2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-5-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}cyclopentanone > (S1254) none > (S1254) 215 ?C > (S1254) 517.0 > (S1254) HC; DY > (S1254) true $$$$ -ISIS- 11270914432D 36 39 0 0 0 0 0 0 0 0999 V2000 1.1917 -3.6042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -3.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3417 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -4.5667 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.6167 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -3.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5208 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4583 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 14 1 0 0 0 0 9 2 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 13 4 1 0 0 0 0 14 16 2 0 0 0 0 15 7 2 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 18 1 2 0 0 0 0 20 18 1 0 0 0 0 21 2 1 0 0 0 0 22 1 1 0 0 0 0 23 3 1 0 0 0 0 24 30 1 0 0 0 0 25 8 1 0 0 0 0 26 5 1 0 0 0 0 27 6 1 0 0 0 0 28 7 1 0 0 0 0 29 15 1 0 0 0 0 30 25 1 0 0 0 0 31 22 1 0 0 0 0 32 23 1 0 0 0 0 33 34 1 0 0 0 0 34 27 2 0 0 0 0 35 28 2 0 0 0 0 36 35 1 0 0 0 0 15 17 1 0 0 0 0 36 29 2 0 0 0 0 24 9 1 0 0 0 0 3 5 1 0 0 0 0 33 26 2 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1255) S1255 > (S1255) 4-[(E)-2-(2-chloro-3-{(E)-2-[1-ethyl-4(1H)-quinolinylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-1-ethylquinolinium iodide > (S1255) 65303-21-1 > (S1255) 239-240 ?C > (S1255) 955.0 > (S1255) HC; DY > (S1255) Quinolinium, 4-[2-[2-chloro-3-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1-ethyl-, iodide (9CI) > (S1255) true $$$$ -ISIS- 11270914432D 37 40 0 0 0 0 0 0 0 0999 V2000 1.1917 -4.0167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -3.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3542 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -5.2500 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.6167 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4917 -3.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2417 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 12 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 3 2 0 0 0 0 11 15 2 0 0 0 0 12 14 2 0 0 0 0 13 10 1 0 0 0 0 14 6 1 0 0 0 0 15 17 1 0 0 0 0 16 9 2 0 0 0 0 17 22 2 0 0 0 0 18 1 2 0 0 0 0 19 23 1 0 0 0 0 20 2 1 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 24 4 1 0 0 0 0 25 1 1 0 0 0 0 26 5 1 0 0 0 0 27 7 1 0 0 0 0 28 8 1 0 0 0 0 29 9 1 0 0 0 0 30 16 1 0 0 0 0 31 23 1 0 0 0 0 32 25 1 0 0 0 0 33 26 1 0 0 0 0 34 28 2 0 0 0 0 35 34 1 0 0 0 0 36 37 1 0 0 0 0 37 29 2 0 0 0 0 16 17 1 0 0 0 0 36 30 2 0 0 0 0 19 3 1 0 0 0 0 5 7 1 0 0 0 0 35 27 2 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1256) S1256 > (S1256) 4-[(E)-2-(2-chloro-3-{(E)-2-[1-ethyl-4(1H)-quinolinylidene]ethylidene}-5-methyl-1-cyclohexen-1-yl)ethenyl]-1-ethylquinolinium iodide > (S1256) none > (S1256) 259-260 ?C > (S1256) 955.0 > (S1256) HC; DY > (S1256) true $$$$ -ISIS- 11270914432D 32 36 0 0 0 0 0 0 0 0999 V2000 3.3542 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -4.1042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7292 -2.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0500 -2.8167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -1.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 11 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 15 1 0 0 0 0 12 4 1 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 14 2 0 0 0 0 16 2 1 0 0 0 0 17 16 1 0 0 0 0 18 8 2 0 0 0 0 19 4 1 0 0 0 0 20 5 1 0 0 0 0 21 7 1 0 0 0 0 22 7 1 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 25 12 1 0 0 0 0 26 13 1 0 0 0 0 27 20 1 0 0 0 0 28 19 1 0 0 0 0 29 23 2 0 0 0 0 30 24 2 0 0 0 0 31 25 2 0 0 0 0 32 26 2 0 0 0 0 12 13 2 0 0 0 0 14 17 1 0 0 0 0 31 32 1 0 0 0 0 9 10 2 0 0 0 0 30 29 1 0 0 0 0 M END > (S1257) S1257 > (S1257) 2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-5-[(Z)-2-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclopentanone > (S1257) none > (S1257) 239 ?C > (S1257) 498.0 > (S1257) HC; DY > (S1257) true $$$$ -ISIS- 11270914432D 38 41 0 0 0 0 0 0 0 0999 V2000 1.2042 -3.9542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0750 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -3.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4917 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -5.1042 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.6292 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5417 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 7 12 2 0 0 0 0 8 4 2 0 0 0 0 9 15 1 0 0 0 0 10 6 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 10 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 24 2 0 0 0 0 18 3 1 0 0 0 0 19 4 1 0 0 0 0 20 1 2 0 0 0 0 21 2 1 0 0 0 0 22 8 1 0 0 0 0 24 20 1 0 0 0 0 25 6 1 0 0 0 0 26 28 1 0 0 0 0 27 19 2 0 0 0 0 28 21 2 0 0 0 0 29 27 1 0 0 0 0 30 1 1 0 0 0 0 31 5 1 0 0 0 0 32 9 1 0 0 0 0 33 34 1 0 0 0 0 34 32 1 0 0 0 0 35 28 1 0 0 0 0 36 29 1 0 0 0 0 37 30 1 0 0 0 0 38 31 1 0 0 0 0 8 17 1 0 0 0 0 29 22 2 0 0 0 0 33 10 1 0 0 0 0 5 3 1 0 0 0 0 26 18 2 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1258) S1258 > (S1258) 4-[(E)-2-(2-chloro-3-{(E)-2-[1-ethyl-6-methyl-4(1H)-quinolinylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-1-ethyl-6-methylquinolinium iodide > (S1258) none > (S1258) 169-170 ?C > (S1258) 980.0 > (S1258) HC; DY > (S1258) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 6.2500 -5.6125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.2042 -3.5417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4917 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -3.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3667 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -6.3292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9542 -5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.5167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 10 2 0 0 0 0 4 11 1 0 0 0 0 5 12 2 0 0 0 0 6 8 2 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 13 9 2 0 0 0 0 14 5 1 0 0 0 0 15 17 2 0 0 0 0 16 7 2 0 0 0 0 17 22 1 0 0 0 0 18 1 1 0 0 0 0 19 1 1 0 0 0 0 20 1 2 0 0 0 0 21 1 2 0 0 0 0 22 24 2 0 0 0 0 23 2 2 0 0 0 0 24 23 1 0 0 0 0 25 18 1 0 0 0 0 26 18 2 0 0 0 0 27 3 1 0 0 0 0 28 2 1 0 0 0 0 29 25 2 0 0 0 0 30 26 1 0 0 0 0 31 30 2 0 0 0 0 32 4 1 0 0 0 0 33 39 1 0 0 0 0 34 10 1 0 0 0 0 35 6 1 0 0 0 0 36 8 1 0 0 0 0 37 7 1 0 0 0 0 38 16 1 0 0 0 0 39 34 1 0 0 0 0 40 31 1 0 0 0 0 41 28 1 0 0 0 0 42 32 1 0 0 0 0 43 44 1 0 0 0 0 44 36 2 0 0 0 0 45 37 2 0 0 0 0 46 45 1 0 0 0 0 31 29 1 0 0 0 0 16 22 1 0 0 0 0 46 38 2 0 0 0 0 33 9 1 0 0 0 0 6 4 1 0 0 0 0 43 35 2 0 0 0 0 M CHG 2 2 1 19 -1 M END > (S1259) S1259 > (S1259) 4-[(E)-2-(2-chloro-3-{(E)-2-[1-ethyl-4(1H)-quinolinylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-1-ethylquinolinium 4-methylbenzenesulfonate > (S1259) 155998-77-9 > (S1259) 235 ?C > (S1259) 970.0 > (S1259) HC; DY > (S1259) Quinolinium, 4-[2-[2-chloro-3-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI) > (S1259) true $$$$ -ISIS- 11270914432D 35 37 0 0 0 0 0 0 0 0999 V2000 2.0167 -3.0417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0292 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -2.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6500 -6.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -1.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4417 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -5.6542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9417 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -5.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -3.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 14 1 0 0 0 0 13 3 1 0 0 0 0 14 20 2 0 0 0 0 15 13 2 0 0 0 0 16 5 1 0 0 0 0 17 5 2 0 0 0 0 18 5 2 0 0 0 0 19 5 2 0 0 0 0 20 15 1 0 0 0 0 21 1 1 0 0 0 0 22 4 1 0 0 0 0 23 20 1 0 0 0 0 24 6 1 0 0 0 0 25 6 1 0 0 0 0 26 7 1 0 0 0 0 27 7 1 0 0 0 0 28 8 1 0 0 0 0 29 9 1 0 0 0 0 30 10 1 0 0 0 0 31 11 1 0 0 0 0 32 31 2 0 0 0 0 33 28 2 0 0 0 0 34 33 1 0 0 0 0 35 29 2 0 0 0 0 10 7 1 0 0 0 0 34 30 2 0 0 0 0 9 11 2 0 0 0 0 32 35 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1260) S1260 > (S1260) 2-[(1E,3Z)-3-chloro-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium perchlorate > (S1260) 112324-77-3 > (S1260) HC; DY > (S1260) 3H-Indolium, 2-[3-chloro-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-, perchlorate (9CI); 2-[3-Chloro-5-(1,3,3-trimethyl-2-indolinylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium perchlorate (6CI) > (S1260) true $$$$ -ISIS- 11270914432D 40 43 0 0 0 0 0 0 0 0999 V2000 1.5917 -4.0917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7292 -4.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.4542 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -3.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1542 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -5.3542 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.3042 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -2.8625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8792 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 7 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 12 4 2 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 6 1 0 0 0 0 20 14 1 0 0 0 0 21 12 1 0 0 0 0 22 24 2 0 0 0 0 24 9 1 0 0 0 0 25 5 1 0 0 0 0 26 1 1 0 0 0 0 27 19 2 0 0 0 0 28 30 1 0 0 0 0 29 17 2 0 0 0 0 30 18 2 0 0 0 0 31 2 1 0 0 0 0 32 7 1 0 0 0 0 33 36 1 0 0 0 0 34 27 1 0 0 0 0 35 28 1 0 0 0 0 36 32 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 26 1 0 0 0 0 40 31 1 0 0 0 0 12 22 1 0 0 0 0 28 21 2 0 0 0 0 33 8 1 0 0 0 0 3 6 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1264) S1264 > (S1264) 2-((E)-2-{2-chloro-3-[(E)-2-(1-ethyl-6-methoxy-1,2-dihydro-2-quinolinyl)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1-ethyl-6-methoxyquinolinium chloride > (S1264) none > (S1264) 192 ?C > (S1264) 855.0 > (S1264) HC; DY > (S1264) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 6.4000 -5.3292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5625 -3.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7167 -3.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0000 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.0417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1125 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -1.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 11 2 0 0 0 0 5 9 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 14 1 0 0 0 0 10 2 2 0 0 0 0 11 12 1 0 0 0 0 12 8 2 0 0 0 0 13 4 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 16 13 2 0 0 0 0 17 1 1 0 0 0 0 18 1 1 0 0 0 0 19 1 2 0 0 0 0 20 1 2 0 0 0 0 21 16 1 0 0 0 0 22 7 2 0 0 0 0 23 10 1 0 0 0 0 24 17 1 0 0 0 0 25 17 2 0 0 0 0 26 23 2 0 0 0 0 27 5 1 0 0 0 0 28 2 1 0 0 0 0 29 3 1 0 0 0 0 30 24 2 0 0 0 0 31 25 1 0 0 0 0 32 31 2 0 0 0 0 33 9 1 0 0 0 0 34 37 1 0 0 0 0 35 6 1 0 0 0 0 36 7 1 0 0 0 0 37 33 1 0 0 0 0 38 21 1 0 0 0 0 39 22 1 0 0 0 0 40 32 1 0 0 0 0 41 28 1 0 0 0 0 42 29 1 0 0 0 0 43 35 2 0 0 0 0 44 36 2 0 0 0 0 45 38 2 0 0 0 0 46 44 1 0 0 0 0 30 32 1 0 0 0 0 22 26 1 0 0 0 0 39 46 2 0 0 0 0 34 8 1 0 0 0 0 6 21 2 0 0 0 0 45 43 1 0 0 0 0 M CHG 2 2 1 18 -1 M END > (S1267) S1267 > (S1267) 2-[(E)-2-(2-chloro-3-{(E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-1-ethylquinolinium 4-methylbenzenesulfonate > (S1267) none > (S1267) 193 ?C > (S1267) 848.0 > (S1267) HC; DY > (S1267) Quinolinium, 2-[2-[2-chloro-3-[(1-ethyl-2(1H)-quinolinylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1-ethyl-, salt with 4- methylbenzenesulfonic acid ( 1: 1) (9CI) > (S1267) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 3.5667 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -3.5375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2042 -2.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2500 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -2.6125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6500 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 13 2 0 0 0 0 11 10 1 0 0 0 0 12 7 2 0 0 0 0 13 20 1 0 0 0 0 14 19 2 0 0 0 0 15 9 1 0 0 0 0 16 2 1 0 0 0 0 17 3 1 0 0 0 0 18 3 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 4 1 0 0 0 0 22 5 1 0 0 0 0 23 11 1 0 0 0 0 24 11 1 0 0 0 0 25 21 2 0 0 0 0 26 22 2 0 0 0 0 4 5 2 0 0 0 0 25 26 1 0 0 0 0 10 14 1 0 0 0 0 M END > (S1268) S1268 > (S1268) (1E,3E)-4-[4-(dimethylamino)phenyl]-1-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)but-3-en-2-one > (S1268) 75513-45-0 > (S1268) 155-156 ?C > (S1268) 432.0 > (S1268) DY > (S1268) 3-Buten-2-one, 1-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-4-[4-(dimethylamino)phenyl]- (9CI) > (S1268) true $$$$ -ISIS- 11270914432D 29 32 0 0 0 0 0 0 0 0999 V2000 2.9500 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -3.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2292 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -3.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2792 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9125 -2.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 12 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 13 2 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 10 1 0 0 0 0 24 11 1 0 0 0 0 25 18 1 0 0 0 0 26 21 2 0 0 0 0 27 22 2 0 0 0 0 28 23 2 0 0 0 0 29 24 2 0 0 0 0 10 11 2 0 0 0 0 28 29 1 0 0 0 0 8 9 2 0 0 0 0 27 26 1 0 0 0 0 M END > (S1271) S1271 > (S1271) (E)-1-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-3-penten-2-one > (S1271) none > (S1271) 115 ?C > (S1271) 474.0 > (S1271) HC; DY > (S1271) true $$$$ -ISIS- 11270914432D 29 32 0 0 0 0 0 0 0 0999 V2000 3.0250 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -3.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3125 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -3.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9375 -2.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4792 -2.3625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 12 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 14 1 0 0 0 0 13 9 1 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 13 2 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 5 1 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 10 1 0 0 0 0 24 11 1 0 0 0 0 25 18 1 0 0 0 0 26 22 2 0 0 0 0 27 21 2 0 0 0 0 28 23 2 0 0 0 0 29 24 2 0 0 0 0 7 8 2 0 0 0 0 27 26 1 0 0 0 0 10 11 2 0 0 0 0 29 28 1 0 0 0 0 M END > (S1272) S1272 > (S1272) (E)-5-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-3-penten-2-one > (S1272) none > (S1272) 106 ?C > (S1272) 493.0 > (S1272) HC; DY > (S1272) true $$$$ -ISIS- 11270914432D 41 44 0 0 0 0 0 0 0 0999 V2000 6.6917 -5.3917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2792 -3.1417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0000 -3.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2875 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -6.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8542 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -4.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -4.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -3.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 9 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 14 1 0 0 0 0 10 8 2 0 0 0 0 11 1 1 0 0 0 0 12 7 1 0 0 0 0 13 1 1 0 0 0 0 14 19 2 0 0 0 0 15 1 2 0 0 0 0 16 1 2 0 0 0 0 17 12 2 0 0 0 0 18 10 1 0 0 0 0 19 17 1 0 0 0 0 20 6 2 0 0 0 0 21 7 1 0 0 0 0 22 11 1 0 0 0 0 23 11 2 0 0 0 0 24 21 2 0 0 0 0 25 2 1 0 0 0 0 26 3 1 0 0 0 0 27 19 1 0 0 0 0 28 22 2 0 0 0 0 29 23 1 0 0 0 0 30 29 2 0 0 0 0 31 5 1 0 0 0 0 32 6 1 0 0 0 0 33 18 1 0 0 0 0 34 20 1 0 0 0 0 35 30 1 0 0 0 0 36 25 1 0 0 0 0 37 26 1 0 0 0 0 38 31 2 0 0 0 0 39 32 2 0 0 0 0 40 33 2 0 0 0 0 41 39 1 0 0 0 0 28 30 1 0 0 0 0 20 24 1 0 0 0 0 34 41 2 0 0 0 0 5 18 2 0 0 0 0 40 38 1 0 0 0 0 M CHG 2 2 1 13 -1 M END > (S1275) S1275 > (S1275) 2-{(1E,3Z)-3-chloro-5-[1-ethyl-2(1H)-quinolinylidene]-1,3-pentadienyl}-1-ethylquinolinium 4-methylbenzenesulfonate > (S1275) 60684-03-9 > (S1275) 204-205 ?C > (S1275) 695.0 > (S1275) HC; DY > (S1275) Quinolinium, 2-[3-chloro-5-(1-ethyl-2(1H)-quinolinylidene)-1,3-pentadienyl]-1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI); NK 1143 > (S1275) true $$$$ -ISIS- 11270914432D 37 38 0 0 0 0 0 0 0 0999 V2000 8.1000 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -2.1625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -4.2542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.7667 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -4.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7625 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -1.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -3.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8208 -3.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -4.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -2.0792 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 3.9042 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 24 1 0 0 0 0 6 3 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 20 2 0 0 0 0 11 12 2 0 0 0 0 12 10 1 0 0 0 0 13 2 2 0 0 0 0 14 5 1 0 0 0 0 15 5 2 0 0 0 0 16 5 2 0 0 0 0 17 6 2 0 0 0 0 18 3 2 0 0 0 0 20 22 1 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 23 1 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 7 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 19 1 0 0 0 0 30 19 1 0 0 0 0 31 19 1 0 0 0 0 32 23 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 31 1 0 0 0 0 36 28 2 0 0 0 0 37 36 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 37 27 2 0 0 0 0 M CHG 2 14 -1 19 1 M END > (S1279) S1279 > (S1279) N,N-diethyl-1-ethanaminium 3-[4-[(E,2E)-4-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-butenylidene]-1(4H)-quinolinyl]-1-propanesulfonate > (S1279) 63560-88-3 > (S1279) HC; DY > (S1279) 1(4H)-Quinolinepropanesulfonic acid, 4-[4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene]-, compd. with N,N-diethylethanamine (1:1) (9CI); Ethanamine, N,N-diethyl-, 4-[4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene]-1(4H)-quinolinepropanesulfonate > (S1279) true $$$$ -ISIS- 11270914432D 59 66 0 0 0 0 0 0 0 0999 V2000 2.0875 -3.1292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2000 -3.0417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4500 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -1.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2417 -5.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -1.8875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6000 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -1.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9625 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6125 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -4.8917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5292 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9792 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8917 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2667 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 13 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 11 5 1 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 19 1 0 0 0 0 17 12 1 0 0 0 0 18 17 2 0 0 0 0 19 14 2 0 0 0 0 20 3 1 0 0 0 0 21 6 1 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 10 1 0 0 0 0 25 10 2 0 0 0 0 26 10 2 0 0 0 0 27 10 2 0 0 0 0 28 15 1 0 0 0 0 29 15 1 0 0 0 0 30 31 1 0 0 0 0 31 16 1 0 0 0 0 32 1 1 0 0 0 0 33 21 1 0 0 0 0 34 20 1 0 0 0 0 35 23 2 0 0 0 0 36 34 1 0 0 0 0 37 2 1 0 0 0 0 38 9 1 0 0 0 0 39 9 1 0 0 0 0 40 11 1 0 0 0 0 41 11 1 0 0 0 0 42 20 2 0 0 0 0 43 21 2 0 0 0 0 44 28 1 0 0 0 0 45 29 2 0 0 0 0 46 29 1 0 0 0 0 47 28 2 0 0 0 0 48 34 2 0 0 0 0 49 33 2 0 0 0 0 50 43 1 0 0 0 0 51 42 1 0 0 0 0 52 45 1 0 0 0 0 53 46 2 0 0 0 0 54 47 1 0 0 0 0 55 44 2 0 0 0 0 56 50 2 0 0 0 0 57 51 2 0 0 0 0 58 54 2 0 0 0 0 59 53 1 0 0 0 0 7 11 1 0 0 0 0 36 22 2 0 0 0 0 57 48 1 0 0 0 0 17 30 1 0 0 0 0 52 59 2 0 0 0 0 58 55 1 0 0 0 0 6 8 2 0 0 0 0 35 33 1 0 0 0 0 49 56 1 0 0 0 0 M CHG 2 1 1 24 -1 M END > (S1285) S1285 > (S1285) 2-((E)-2-{2-(diphenylamino)-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-benzo[g]indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl}ethenyl)-1,3,3-trimethyl-3H-benzo[g]indolium perchlorate > (S1285) none > (S1285) 235-236 ?C > (S1285) 825.0 > (S1285) HC; DY > (S1285) 3H-Benz[g]indolium, 1-butyl-2-[2-[3-[(1-butyl-1,3-dihydro-3,3-dimethyl-2H-benz[g]indol-2-ylidene)ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]-3,3-dimethyl-, perchlorate (9CI) > (S1285) true $$$$ -ISIS- 11270914432D 31 33 0 0 0 0 0 0 0 0999 V2000 3.1625 -7.1500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1917 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -6.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1792 -5.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8042 -5.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5917 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -7.5792 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 3.0042 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -8.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5917 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 17 1 1 0 0 0 0 18 4 1 0 0 0 0 19 15 1 0 0 0 0 20 5 1 0 0 0 0 21 5 1 0 0 0 0 22 6 1 0 0 0 0 23 6 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 9 1 0 0 0 0 27 10 1 0 0 0 0 28 31 1 0 0 0 0 29 25 2 0 0 0 0 30 27 2 0 0 0 0 31 24 2 0 0 0 0 9 6 1 0 0 0 0 28 26 2 0 0 0 0 8 10 2 0 0 0 0 30 29 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1287) S1287 > (S1287) 2-[(1E,3Z)-3-chloro-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium Iodide > (S1287) 119569-97-0 > (S1287) 641.0 > (S1287) HC; DY > (S1287) 3H-Indolium, 2-[3-chloro-5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl- iodide (9CI) > (S1287) true $$$$ -ISIS- 11270914432D 26 26 0 0 0 0 0 0 0 0999 V2000 3.3500 -3.3250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0292 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -2.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7000 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -4.8292 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.8042 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -4.6875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -4.9750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -5.6417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -4.0167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -2.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 10 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 1 1 0 0 0 0 13 11 2 0 0 0 0 14 6 1 0 0 0 0 15 6 1 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 3 1 0 0 0 0 20 3 1 0 0 0 0 21 4 1 0 0 0 0 22 5 1 0 0 0 0 23 18 1 0 0 0 0 24 18 1 0 0 0 0 25 21 2 0 0 0 0 26 25 1 0 0 0 0 5 3 1 0 0 0 0 26 22 2 0 0 0 0 M CHG 2 1 1 6 -1 M END > (S1290) S1290 > (S1290) 2-[(1E,3E,5E)-6-(dimethylamino)hexa-1,3,5-trienyl]-1,3,3-trimethyl-3H-indolium tetrafluoroborate > (S1290) 235781-92-7 > (S1290) 201-203 ?C > (S1290) 568.0 > (S1290) HC; DY > (S1290) 3H-Indolium, 2-[6-(dimethylamino)-1,3,5-hexatrienyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (9CI) > (S1290) true $$$$ -ISIS- 11270914432D 50 56 0 0 0 0 0 0 0 0999 V2000 -0.1458 0.8083 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1167 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.8083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9250 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1125 -1.3667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.9875 0.3208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -1.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9292 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0792 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 4 2 0 0 0 0 7 22 2 0 0 0 0 8 16 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 33 1 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 9 1 0 0 0 0 18 12 1 0 0 0 0 19 6 1 0 0 0 0 20 2 1 0 0 0 0 21 11 1 0 0 0 0 22 29 1 0 0 0 0 23 3 1 0 0 0 0 24 11 2 0 0 0 0 25 11 2 0 0 0 0 26 1 1 0 0 0 0 27 16 1 0 0 0 0 28 20 2 0 0 0 0 29 30 2 0 0 0 0 30 32 1 0 0 0 0 31 28 1 0 0 0 0 32 31 2 0 0 0 0 33 34 1 0 0 0 0 34 26 1 0 0 0 0 35 5 1 0 0 0 0 36 10 1 0 0 0 0 37 10 1 0 0 0 0 38 13 1 0 0 0 0 39 14 1 0 0 0 0 40 17 1 0 0 0 0 41 18 1 0 0 0 0 42 23 2 0 0 0 0 43 23 1 0 0 0 0 44 39 2 0 0 0 0 45 38 2 0 0 0 0 46 41 2 0 0 0 0 47 40 2 0 0 0 0 48 43 2 0 0 0 0 49 42 1 0 0 0 0 50 48 1 0 0 0 0 3 6 1 0 0 0 0 19 27 2 0 0 0 0 18 17 2 0 0 0 0 49 50 2 0 0 0 0 46 47 1 0 0 0 0 14 13 2 0 0 0 0 45 44 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1291) S1291 > (S1291) 3-{6-(1,3-benzothiazol-2-yl)-3-phenyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3H-benzimidazol-1-ium-1-yl}-1-propanesulfonate > (S1291) none > (S1291) 620.0 > (S1291) HC; DY > (S1291) true $$$$ -ISIS- 11270914432D 69 76 0 0 0 0 0 0 0 0999 V2000 -2.1333 0.8958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 1.1583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.6375 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -1.3542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6667 -1.0875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2042 2.1125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 1.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 2.3208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3000 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 -1.6750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0792 -1.4042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5458 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -1.2167 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 4.2625 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 17 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 16 2 0 0 0 0 12 5 2 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 18 3 1 0 0 0 0 19 15 2 0 0 0 0 20 18 2 0 0 0 0 21 5 1 0 0 0 0 22 10 1 0 0 0 0 23 6 1 0 0 0 0 24 7 1 0 0 0 0 25 6 2 0 0 0 0 26 6 2 0 0 0 0 27 7 2 0 0 0 0 28 7 2 0 0 0 0 30 13 1 0 0 0 0 31 12 1 0 0 0 0 32 14 1 0 0 0 0 33 14 1 0 0 0 0 34 35 1 0 0 0 0 35 16 1 0 0 0 0 36 1 1 0 0 0 0 37 22 1 0 0 0 0 38 21 1 0 0 0 0 39 30 2 0 0 0 0 40 38 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 43 4 1 0 0 0 0 44 36 1 0 0 0 0 45 43 1 0 0 0 0 46 29 1 0 0 0 0 47 29 1 0 0 0 0 48 29 1 0 0 0 0 49 22 2 0 0 0 0 50 21 2 0 0 0 0 51 33 2 0 0 0 0 52 33 1 0 0 0 0 53 32 2 0 0 0 0 54 32 1 0 0 0 0 55 38 2 0 0 0 0 56 37 2 0 0 0 0 57 46 1 0 0 0 0 58 47 1 0 0 0 0 59 48 1 0 0 0 0 60 49 1 0 0 0 0 61 50 1 0 0 0 0 62 53 1 0 0 0 0 63 54 2 0 0 0 0 64 51 1 0 0 0 0 65 52 2 0 0 0 0 66 61 2 0 0 0 0 67 60 2 0 0 0 0 68 65 1 0 0 0 0 69 63 1 0 0 0 0 9 12 1 0 0 0 0 31 40 2 0 0 0 0 55 66 1 0 0 0 0 34 15 1 0 0 0 0 64 68 2 0 0 0 0 62 69 2 0 0 0 0 13 10 2 0 0 0 0 37 39 1 0 0 0 0 67 56 1 0 0 0 0 M CHG 4 1 1 23 -1 24 -1 29 1 M END > (S1295) S1295 > (S1295) N,N-diethyl-1-ethanaminium 3-{2-[(Z)-2-(2-(diphenylamino)-3-{(E)-2-[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]ethenyl}-2-cyclopenten-1-ylidene)ethylidene]naphtho[1,2-d][1,3]thiazol-1- yl}-1-propanesulfonate > (S1295) 28645-14-9 > (S1295) 201-202 ?C > (S1295) HC; DY > (S1295) Naphtho[1,2-d]thiazolium, 2-[2-[2-(diphenylamino)-3-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-1-(3-sulfopropyl)-, inner salt, compd. with N,N-dieth ylethanamine (1:1) (9CI); 4,5,4',5'-Dibenzothiatricarbocyanine hydroxide, anhydro-11-diphenylamino-10,12-ethylene-3,3'-bis(3-sulfopropyl)-, salt with triethylamine (8CI); Naphtho[1,2-d]thiazolium, 2-[2-[2-(diphenylamino)-3-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-1-(3-sulfopropyl)-, hydroxide, inner salt, compd. wit h triethylamine (1:1) (8CI); Triethylamine, compd. with 2-[2-[2-(diphenylamino)-3-[2-[1-(3-sulfopropyl)naphtho[1,2-d]thiazolin-2-ylidene]ethylidene]-1-cyclopenten-1-yl]vinyl]-1-(3-sulfopropyl)naphtho[1,2-d]thiazolium hydroxide, i nner salt (1:1) (8CI) > (S1295) true $$$$ -ISIS- 11270914432D 48 53 0 0 0 0 0 0 0 0999 V2000 1.3917 -3.4375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8292 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -3.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7625 -5.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -2.0167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -5.1917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0500 -6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -6.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -2.1042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0875 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 18 1 0 0 0 0 17 15 2 0 0 0 0 18 14 2 0 0 0 0 19 6 1 0 0 0 0 20 9 1 0 0 0 0 21 5 1 0 0 0 0 22 5 2 0 0 0 0 23 5 2 0 0 0 0 24 5 2 0 0 0 0 25 12 1 0 0 0 0 26 11 1 0 0 0 0 27 10 1 0 0 0 0 28 20 1 0 0 0 0 29 19 1 0 0 0 0 30 1 1 0 0 0 0 31 26 2 0 0 0 0 32 29 1 0 0 0 0 33 4 1 0 0 0 0 34 38 1 0 0 0 0 35 16 1 0 0 0 0 36 19 2 0 0 0 0 37 20 2 0 0 0 0 38 35 1 0 0 0 0 39 25 1 0 0 0 0 40 25 1 0 0 0 0 41 29 2 0 0 0 0 42 28 2 0 0 0 0 43 30 1 0 0 0 0 44 33 1 0 0 0 0 45 37 1 0 0 0 0 46 36 1 0 0 0 0 47 46 2 0 0 0 0 48 45 2 0 0 0 0 10 8 1 0 0 0 0 32 27 2 0 0 0 0 47 41 1 0 0 0 0 34 15 1 0 0 0 0 9 11 2 0 0 0 0 31 28 1 0 0 0 0 42 48 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1296) S1296 > (S1296) 2-[(E)-2-(2-(dimethylamino)-3-{(E)-2-[1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium perchlorate > (S1296) none > (S1296) >300 ?C > (S1296) 735.0 > (S1296) HC; DY > (S1296) true $$$$ -ISIS- 11270914432D 58 62 0 0 0 0 0 0 0 0999 V2000 1.5667 -3.7417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0292 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -3.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1417 -6.2042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.5500 -6.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4625 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -2.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.5875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -5.4875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7500 -6.2792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1792 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -6.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -6.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -7.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -6.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7167 -6.3000 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 1.5667 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -5.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8542 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5417 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3042 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3000 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9542 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7167 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 16 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 7 2 0 0 0 0 12 1 1 0 0 0 0 13 4 1 0 0 0 0 14 12 2 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 8 2 0 0 0 0 18 19 2 0 0 0 0 19 3 1 0 0 0 0 20 5 1 0 0 0 0 21 6 1 0 0 0 0 22 11 1 0 0 0 0 23 7 1 0 0 0 0 24 31 1 0 0 0 0 25 5 2 0 0 0 0 26 5 2 0 0 0 0 27 6 2 0 0 0 0 28 6 2 0 0 0 0 30 1 1 0 0 0 0 31 23 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 34 22 1 0 0 0 0 35 22 2 0 0 0 0 36 4 1 0 0 0 0 37 30 1 0 0 0 0 38 36 1 0 0 0 0 39 41 2 0 0 0 0 40 34 2 0 0 0 0 41 35 1 0 0 0 0 42 12 1 0 0 0 0 43 13 1 0 0 0 0 44 39 1 0 0 0 0 45 15 1 0 0 0 0 46 14 1 0 0 0 0 47 29 1 0 0 0 0 48 29 1 0 0 0 0 49 29 1 0 0 0 0 50 31 1 0 0 0 0 51 44 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 54 49 1 0 0 0 0 55 43 2 0 0 0 0 56 42 2 0 0 0 0 57 45 2 0 0 0 0 58 56 1 0 0 0 0 14 10 1 0 0 0 0 58 46 2 0 0 0 0 8 24 1 0 0 0 0 39 40 1 0 0 0 0 13 15 2 0 0 0 0 57 55 1 0 0 0 0 M CHG 4 1 1 20 -1 21 -1 29 1 M END > (S1298) S1298 > (S1298) N,N-diethyl-1-ethanaminium 3-{2-[(Z)-2-(2-(4-methoxyphenyl)-5-methyl-3-{(E)-2-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl}-2-cyclohexen-1-ylidene)ethylidene]-1,3-benzothiazol-3-yl}-1-pr opanesulfonate > (S1298) none > (S1298) 285-287 ?C > (S1298) 785.0 > (S1298) HC; DY > (S1298) true $$$$ -ISIS- 11270914432D 52 56 0 0 0 0 0 0 0 0999 V2000 2.4125 -1.1167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6792 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -1.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6250 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -3.7542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.8792 -3.8792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.4292 -0.0167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -3.6542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0667 -4.0542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9667 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -4.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -5.2542 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 0.3292 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 17 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 7 1 0 0 0 0 17 27 1 0 0 0 0 18 3 1 0 0 0 0 19 6 2 0 0 0 0 20 6 2 0 0 0 0 21 7 2 0 0 0 0 22 7 2 0 0 0 0 24 11 1 0 0 0 0 25 12 1 0 0 0 0 26 1 1 0 0 0 0 27 29 2 0 0 0 0 28 18 2 0 0 0 0 29 28 1 0 0 0 0 30 14 1 0 0 0 0 31 13 1 0 0 0 0 32 25 2 0 0 0 0 33 31 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 36 4 1 0 0 0 0 37 26 1 0 0 0 0 38 36 1 0 0 0 0 39 23 1 0 0 0 0 40 23 1 0 0 0 0 41 23 1 0 0 0 0 42 13 2 0 0 0 0 43 14 2 0 0 0 0 44 30 2 0 0 0 0 45 31 2 0 0 0 0 46 39 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 42 1 0 0 0 0 50 43 1 0 0 0 0 51 50 2 0 0 0 0 52 49 2 0 0 0 0 11 10 1 0 0 0 0 33 24 2 0 0 0 0 52 45 1 0 0 0 0 9 12 2 0 0 0 0 32 30 1 0 0 0 0 44 51 1 0 0 0 0 M CHG 4 1 1 15 -1 16 -1 23 1 M END > (S1300) S1300 > (S1300) N,N-diethyl-1-ethanaminium 3-(2-{(E,2E,4E)-5-[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]-2,4-pentadienylidene}naphtho[1,2-d][1,3]thiazol-1-yl)-1-propanesulfonate > (S1300) none > (S1300) 693.0 > (S1300) HC; DY > (S1300) true $$$$ -ISIS- 11270914432D 40 44 0 0 0 0 0 0 0 0999 V2000 1.6375 -3.6875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6125 -3.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0000 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -5.9625 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.1792 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 2 0 0 0 0 4 7 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 12 1 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 11 1 0 0 0 0 11 6 2 0 0 0 0 12 14 2 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 17 4 1 0 0 0 0 18 7 1 0 0 0 0 19 18 1 0 0 0 0 20 8 2 0 0 0 0 22 9 1 0 0 0 0 23 22 2 0 0 0 0 24 1 1 0 0 0 0 25 2 1 0 0 0 0 26 5 1 0 0 0 0 27 8 1 0 0 0 0 28 16 1 0 0 0 0 29 17 1 0 0 0 0 30 17 2 0 0 0 0 31 20 1 0 0 0 0 32 24 1 0 0 0 0 33 25 1 0 0 0 0 34 26 2 0 0 0 0 35 27 2 0 0 0 0 36 28 2 0 0 0 0 37 29 2 0 0 0 0 38 30 1 0 0 0 0 39 35 1 0 0 0 0 40 38 2 0 0 0 0 23 20 1 0 0 0 0 31 39 2 0 0 0 0 6 19 1 0 0 0 0 40 37 1 0 0 0 0 5 16 2 0 0 0 0 36 34 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1301) S1301 > (S1301) 1-ethyl-2-[(E)-2-(3-{(E)-2-[1-ethyl-2(1H)-quinolinylidene]ethylidene}-2-phenyl-1-cyclopenten-1-yl)ethenyl]quinolinium iodide > (S1301) none > (S1301) 210-212 ?C > (S1301) 871.0 > (S1301) HC; DY > (S1301) true $$$$ -ISIS- 11270914432D 34 36 0 0 0 0 0 0 0 0999 V2000 2.1667 -2.1292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2125 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -2.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4167 -1.1792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -0.9875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -4.1333 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.9792 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7375 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 17 1 1 0 0 0 0 18 4 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 10 1 0 0 0 0 22 9 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 24 1 0 0 0 0 28 23 1 0 0 0 0 29 19 2 0 0 0 0 30 20 2 0 0 0 0 31 29 1 0 0 0 0 32 21 2 0 0 0 0 33 25 1 0 0 0 0 34 26 1 0 0 0 0 9 6 1 0 0 0 0 31 22 2 0 0 0 0 8 10 2 0 0 0 0 32 30 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1305) S1305 > (S1305) 3-pentyl-2-{(1E,3E)-5-[3-pentyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl}-1,3-benzothiazol-3-ium iodide > (S1305) 53213-96-0 > (S1305) 202-203 ?C > (S1305) HC; DY > (S1305) Benzothiazolium, 3-pentyl-2-[5-(3-pentyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl]-, iodide (9CI) > (S1305) true $$$$ -ISIS- 11270914432D 40 44 0 0 0 0 0 0 0 0999 V2000 1.6375 -4.9167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0125 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -4.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8792 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -6.9917 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 3.0542 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2250 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 8 2 0 0 0 0 6 2 1 0 0 0 0 7 13 1 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 12 6 2 0 0 0 0 13 16 2 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 23 1 0 0 0 0 18 1 1 0 0 0 0 19 2 1 0 0 0 0 20 7 1 0 0 0 0 21 20 1 0 0 0 0 23 18 2 0 0 0 0 24 1 1 0 0 0 0 25 3 1 0 0 0 0 26 5 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 15 1 0 0 0 0 30 19 1 0 0 0 0 31 19 2 0 0 0 0 32 24 1 0 0 0 0 33 25 1 0 0 0 0 34 35 1 0 0 0 0 35 27 2 0 0 0 0 36 37 1 0 0 0 0 37 28 2 0 0 0 0 38 31 1 0 0 0 0 39 30 2 0 0 0 0 40 38 2 0 0 0 0 15 17 2 0 0 0 0 36 29 2 0 0 0 0 21 6 1 0 0 0 0 40 39 1 0 0 0 0 3 5 1 0 0 0 0 34 26 2 0 0 0 0 M CHG 2 1 1 22 -1 M END > (S1308) S1308 > (S1308) 1-ethyl-4-[(E)-2-(3-{(E)-2-[1-ethyl-4(1H)-quinolinylidene]ethylidene}-2-phenyl-1-cyclopenten-1-yl)ethenyl]quinolinium bromide > (S1308) none > (S1308) 228-229 ?C > (S1308) 987.0 > (S1308) HC; DY > (S1308) true $$$$ -ISIS- 07201111452D 18 19 0 0 0 0 0 0 0 0999 V2000 4.1542 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6750 0.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 2.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -0.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 12 2 0 0 0 0 8 11 3 0 0 0 0 9 10 3 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 2 1 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 5 4 1 0 0 0 0 18 17 2 0 0 0 0 M END > (S1310) S1310 > (S1310) [(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]malononitrile > (S1310) 57296-02-3 > (S1310) DY > (S1310) true $$$$ -ISIS- 11270914432D 50 55 0 0 0 0 0 0 0 0999 V2000 7.2792 -5.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -3.9125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6292 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4417 -3.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9250 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6250 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -4.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -3.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9167 -3.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8042 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2292 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 -7.3875 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.2917 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9792 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3792 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2125 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5667 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 -7.1250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -7.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -8.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -6.6125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.8042 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8792 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3375 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6042 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4500 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2417 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8292 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 21 2 0 0 0 0 8 16 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 4 2 0 0 0 0 16 14 1 0 0 0 0 17 9 1 0 0 0 0 18 11 1 0 0 0 0 19 6 2 0 0 0 0 20 2 1 0 0 0 0 21 25 1 0 0 0 0 22 3 1 0 0 0 0 23 16 2 0 0 0 0 24 20 2 0 0 0 0 25 28 2 0 0 0 0 26 1 1 0 0 0 0 27 24 1 0 0 0 0 28 29 1 0 0 0 0 29 27 2 0 0 0 0 30 15 1 0 0 0 0 31 15 1 0 0 0 0 32 15 1 0 0 0 0 33 15 1 0 0 0 0 34 5 1 0 0 0 0 35 10 1 0 0 0 0 36 10 1 0 0 0 0 37 12 2 0 0 0 0 38 13 2 0 0 0 0 39 17 1 0 0 0 0 40 18 1 0 0 0 0 41 22 1 0 0 0 0 42 22 2 0 0 0 0 43 26 1 0 0 0 0 44 38 1 0 0 0 0 45 37 1 0 0 0 0 46 39 2 0 0 0 0 47 40 2 0 0 0 0 48 42 1 0 0 0 0 49 41 2 0 0 0 0 50 48 2 0 0 0 0 6 3 1 0 0 0 0 23 19 1 0 0 0 0 18 17 2 0 0 0 0 50 49 1 0 0 0 0 46 47 1 0 0 0 0 12 13 1 0 0 0 0 45 44 2 0 0 0 0 M CHG 2 1 1 15 -1 M END > (S1317) S1317 > (S1317) 6-(1,3-benzothiazol-2-yl)-1-ethyl-3-phenyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3H-benzimidazol-1-ium tetrafluoroborate > (S1317) none > (S1317) 238-240 ?C > (S1317) 614.0 > (S1317) HC; DY > (S1317) true $$$$ -ISIS- 11270914432D 42 45 0 0 0 0 0 0 0 0999 V2000 2.0917 -2.5792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8375 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -1.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3500 -2.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5667 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -1.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9500 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -5.2667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.8292 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -5.8917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8542 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -5.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 18 2 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 29 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 8 2 0 0 0 0 16 2 1 0 0 0 0 17 9 1 0 0 0 0 18 25 1 0 0 0 0 19 9 2 0 0 0 0 20 9 2 0 0 0 0 21 1 1 0 0 0 0 22 13 2 0 0 0 0 23 14 2 0 0 0 0 24 16 2 0 0 0 0 25 28 2 0 0 0 0 26 24 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 30 1 0 0 0 0 30 21 1 0 0 0 0 31 4 1 0 0 0 0 32 5 1 0 0 0 0 33 14 1 0 0 0 0 34 7 1 0 0 0 0 35 7 1 0 0 0 0 36 10 2 0 0 0 0 37 11 2 0 0 0 0 38 33 1 0 0 0 0 39 31 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 8 4 1 0 0 0 0 22 15 1 0 0 0 0 10 11 1 0 0 0 0 40 41 2 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1323) S1323 > (S1323) 3-{6-(ethoxycarbonyl)-3-ethyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3H-benzimidazol-1-ium-1-yl}-1-propanesulfonate > (S1323) none > (S1323) 255-257 ?C > (S1323) 583.0 > (S1323) HC; DY > (S1323) true $$$$ -ISIS- 11270914432D 40 44 0 0 0 0 0 0 0 0999 V2000 3.1000 -1.7792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -1.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7542 -0.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8042 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -3.6167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 3.0667 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6042 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -3.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 14 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 16 1 0 0 0 0 13 8 1 0 0 0 0 14 17 1 0 0 0 0 15 3 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 18 8 1 0 0 0 0 19 14 1 0 0 0 0 20 19 1 0 0 0 0 22 1 1 0 0 0 0 23 4 1 0 0 0 0 24 7 2 0 0 0 0 25 9 1 0 0 0 0 26 10 2 0 0 0 0 27 11 1 0 0 0 0 28 33 1 0 0 0 0 29 32 1 0 0 0 0 30 18 1 0 0 0 0 31 18 2 0 0 0 0 32 22 1 0 0 0 0 33 23 1 0 0 0 0 34 25 2 0 0 0 0 35 24 1 0 0 0 0 36 27 2 0 0 0 0 37 35 2 0 0 0 0 38 31 1 0 0 0 0 39 30 2 0 0 0 0 40 38 2 0 0 0 0 10 6 1 0 0 0 0 37 26 1 0 0 0 0 13 20 1 0 0 0 0 40 39 1 0 0 0 0 9 11 2 0 0 0 0 36 34 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1324) S1324 > (S1324) 3-(2-hydroxyethyl)-2-[(E)-2-(3-{(E)-2-[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-phenyl-1-cyclopenten-1-yl)ethenyl]-1,3-benzothiazol-3-ium chloride > (S1324) none > (S1324) 809.0 > (S1324) HC; DY > (S1324) true $$$$ -ISIS- 11270914432D 46 51 0 0 0 0 0 0 0 0999 V2000 2.9542 -8.3292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6042 -5.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2417 -5.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -4.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1750 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -9.0542 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 6.8167 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -8.9042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -9.1917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -9.8667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -8.2417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -8.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -10.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5208 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1042 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 13 20 2 0 0 0 0 14 11 2 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 1 1 0 0 0 0 18 9 1 0 0 0 0 19 28 2 0 0 0 0 20 29 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 14 1 0 0 0 0 26 5 2 0 0 0 0 27 6 1 0 0 0 0 28 25 1 0 0 0 0 29 25 2 0 0 0 0 30 26 1 0 0 0 0 31 27 2 0 0 0 0 32 18 2 0 0 0 0 33 30 2 0 0 0 0 34 16 1 0 0 0 0 35 15 1 0 0 0 0 36 15 2 0 0 0 0 37 16 2 0 0 0 0 38 17 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 34 2 0 0 0 0 42 37 1 0 0 0 0 43 36 1 0 0 0 0 44 35 2 0 0 0 0 45 43 2 0 0 0 0 46 42 2 0 0 0 0 6 9 2 0 0 0 0 33 18 1 0 0 0 0 32 31 1 0 0 0 0 13 19 1 0 0 0 0 10 7 1 0 0 0 0 46 41 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 2 1 1 12 -1 M END > (S1326) S1326 > (S1326) 1-butyl-2-{(E)-2-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]ethenyl}benzo[cd]indolium tetrafluoroborate > (S1326) none > (S1326) 182-183 ?C > (S1326) 692.0 > (S1326) HC; DY > (S1326) true $$$$ -ISIS- 11270914432D 33 35 0 0 0 0 0 0 0 0999 V2000 2.1042 -6.3542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -7.0792 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.6125 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -3.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1000 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -7.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -6.2667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -6.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -7.2250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -4.8625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -8.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 14 2 0 0 0 0 12 20 2 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 1 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 18 7 1 0 0 0 0 19 7 1 0 0 0 0 20 26 1 0 0 0 0 21 25 2 0 0 0 0 22 10 1 0 0 0 0 23 5 1 0 0 0 0 24 11 1 0 0 0 0 25 22 1 0 0 0 0 26 22 2 0 0 0 0 27 8 2 0 0 0 0 28 23 2 0 0 0 0 29 13 1 0 0 0 0 30 13 1 0 0 0 0 31 15 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 5 4 2 0 0 0 0 11 8 1 0 0 0 0 27 28 1 0 0 0 0 12 21 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S1327) S1327 > (S1327) 1-butyl-6-chloro-2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}benzo[cd]indolium tetrafluoroborate > (S1327) none > (S1327) 687.0 > (S1327) HC; DY > (S1327) true $$$$ -ISIS- 11270914432D 43 44 0 0 0 0 0 0 0 0999 V2000 -1.5083 -1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2750 1.0125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.2792 1.1500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.7417 -1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8333 -0.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2292 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.4208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0250 0.7958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6833 1.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 1.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 0.5625 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.7375 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -3.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -3.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 5 25 2 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 27 2 0 0 0 0 14 16 2 0 0 0 0 15 7 2 0 0 0 0 16 8 1 0 0 0 0 17 9 2 0 0 0 0 18 12 1 0 0 0 0 19 2 1 0 0 0 0 20 3 1 0 0 0 0 21 2 2 0 0 0 0 22 2 2 0 0 0 0 23 3 2 0 0 0 0 24 3 2 0 0 0 0 25 29 1 0 0 0 0 26 6 1 0 0 0 0 27 17 1 0 0 0 0 28 18 2 0 0 0 0 29 32 2 0 0 0 0 30 26 2 0 0 0 0 31 33 2 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 34 1 1 0 0 0 0 35 4 1 0 0 0 0 36 10 1 0 0 0 0 37 10 1 0 0 0 0 38 11 1 0 0 0 0 39 11 1 0 0 0 0 42 41 1 0 0 0 0 43 41 1 0 0 0 0 7 11 1 0 0 0 0 13 15 1 0 0 0 0 12 8 2 0 0 0 0 14 28 1 0 0 0 0 M CHG 4 1 1 19 -1 20 -1 40 1 M END > (S1346) S1346 > (S1346) sodium 1,3,3-trimethyl-2-[(1E,3E,5E)-7-(1,3,3-trimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3H-indolium-5-sulfonate hydrate > (S1346) 135408-43-4 > (S1346) 750.0 > (S1346) HC; DY > (S1346) 3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-5-sulfo-, inner salt, sodium salt, monohydrate (9CI) > (S1346) true $$$$ -ISIS- 11270914432D 44 47 0 0 0 0 0 0 0 0999 V2000 0.8042 -5.2000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2750 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -2.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.5917 -2.2917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.0625 -5.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6750 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -4.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4792 -4.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5417 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -2.0292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3417 -2.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3750 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -4.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4875 -2.8792 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.6875 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 20 1 0 0 0 0 14 3 1 0 0 0 0 15 22 2 0 0 0 0 16 32 2 0 0 0 0 17 19 2 0 0 0 0 18 7 2 0 0 0 0 19 8 1 0 0 0 0 20 23 2 0 0 0 0 21 14 2 0 0 0 0 22 21 1 0 0 0 0 23 15 1 0 0 0 0 24 9 2 0 0 0 0 25 12 1 0 0 0 0 26 4 1 0 0 0 0 27 5 1 0 0 0 0 28 4 2 0 0 0 0 29 4 2 0 0 0 0 30 5 2 0 0 0 0 31 5 2 0 0 0 0 32 24 1 0 0 0 0 33 25 2 0 0 0 0 34 1 1 0 0 0 0 35 15 1 0 0 0 0 36 6 1 0 0 0 0 37 10 1 0 0 0 0 38 10 1 0 0 0 0 39 11 1 0 0 0 0 40 11 1 0 0 0 0 42 22 1 0 0 0 0 43 44 1 0 0 0 0 44 42 1 0 0 0 0 7 11 1 0 0 0 0 16 18 1 0 0 0 0 23 43 1 0 0 0 0 12 8 2 0 0 0 0 17 33 1 0 0 0 0 M CHG 4 1 1 26 -1 27 -1 41 1 M END > (S1347) S1347 > (S1347) sodium 2-((E)-2-{2-chloro-3-[(E)-2-(1,3,3-trimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium-5-sulfonatesodium 2-((E)-2-{2-chloro-3 -[(E)-2-(1,3,3-trimethyl-5-sulfonato-1,3-dihydro-2H-ind ol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium-5-sulfonate > (S1347) 328064-20-6 > (S1347) 776.0 > (S1347) HC; DY > (S1347) 3H-Indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-5-sulfo-, inner salt, sodium salt (9CI) > (S1347) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 2.3375 -3.0917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0542 -3.4375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0042 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -6.1750 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 3.7667 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 1 2 0 0 0 0 11 16 2 0 0 0 0 12 14 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 16 10 1 0 0 0 0 17 1 1 0 0 0 0 18 2 1 0 0 0 0 19 3 1 0 0 0 0 20 5 1 0 0 0 0 21 4 2 0 0 0 0 22 9 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 20 2 0 0 0 0 26 25 1 0 0 0 0 27 28 2 0 0 0 0 28 21 1 0 0 0 0 11 9 1 0 0 0 0 22 27 1 0 0 0 0 2 3 1 0 0 0 0 19 26 2 0 0 0 0 M CHG 2 1 1 15 -1 M END > (S1350) S1350 > (S1350) 1-ethyl-4-{(E)-3-[1-ethyl-4(1H)-quinolinylidene]-1-propenyl}quinolinium bromide > (S1350) 19764-88-6 > (S1350) 163-164 ?C > (S1350) 706.0 > (S1350) HC; DY > (S1350) Quinolinium, 1-ethyl-4-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl]-, bromide (9CI); 4,4'-Carbocyanine bromide, 1,1'-diethyl- (8CI); 4,4'-Quinocarbocyanine bromide, 1,1'-diethyl-; Quinolinium, 1-ethyl-4-[3-(1-ethyl-4(1H)-quinolylidene)propenyl]-, bromide (8CI); 1,1'-Diethyl-4,4'-quinocyanine bromide; Cryptocyanine bromide; NK 36 > (S1350) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 0.6250 -3.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0792 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -3.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0542 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -1.9750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -2.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -5.4375 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.2667 -4.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4750 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 16 1 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 15 1 0 0 0 0 15 7 2 0 0 0 0 16 17 2 0 0 0 0 17 3 1 0 0 0 0 18 5 2 0 0 0 0 19 11 1 0 0 0 0 20 10 1 0 0 0 0 21 26 1 0 0 0 0 22 6 1 0 0 0 0 23 13 1 0 0 0 0 24 12 2 0 0 0 0 26 22 1 0 0 0 0 27 1 1 0 0 0 0 28 20 1 0 0 0 0 29 20 2 0 0 0 0 30 19 2 0 0 0 0 31 18 1 0 0 0 0 32 4 1 0 0 0 0 33 36 2 0 0 0 0 34 23 2 0 0 0 0 35 31 2 0 0 0 0 36 29 1 0 0 0 0 37 28 2 0 0 0 0 38 30 1 0 0 0 0 39 31 1 0 0 0 0 40 33 1 0 0 0 0 41 26 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 38 1 0 0 0 0 45 27 1 0 0 0 0 46 32 1 0 0 0 0 12 9 1 0 0 0 0 35 24 1 0 0 0 0 21 7 1 0 0 0 0 33 37 1 0 0 0 0 11 13 2 0 0 0 0 34 30 1 0 0 0 0 M CHG 2 1 1 25 -1 M END > (S1360) S1360 > (S1360) 3-ethyl-2-{(E)-2-[3-{(E)-2-[3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl}-5-methoxy-1,3-benzothiazol-3-ium iodide > (S1360) none > (S1360) 248-250 ?C > (S1360) 796.0 > (S1360) HC; DY > (S1360) true $$$$ -ISIS- 11270914432D 42 46 0 0 0 0 0 0 0 0999 V2000 0.6292 -3.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0875 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -3.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5292 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.9750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -5.3292 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.2750 -4.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 2 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 15 1 0 0 0 0 15 6 2 0 0 0 0 16 17 2 0 0 0 0 17 3 1 0 0 0 0 18 9 1 0 0 0 0 19 5 1 0 0 0 0 20 22 1 0 0 0 0 22 19 1 0 0 0 0 23 1 1 0 0 0 0 24 18 1 0 0 0 0 25 18 2 0 0 0 0 26 4 1 0 0 0 0 27 28 2 0 0 0 0 28 25 1 0 0 0 0 29 24 2 0 0 0 0 30 10 2 0 0 0 0 31 11 1 0 0 0 0 32 27 1 0 0 0 0 33 13 1 0 0 0 0 34 12 2 0 0 0 0 35 22 1 0 0 0 0 36 32 1 0 0 0 0 37 23 1 0 0 0 0 38 26 1 0 0 0 0 39 31 2 0 0 0 0 40 30 1 0 0 0 0 41 33 2 0 0 0 0 42 40 2 0 0 0 0 12 8 1 0 0 0 0 42 34 1 0 0 0 0 20 6 1 0 0 0 0 27 29 1 0 0 0 0 11 13 2 0 0 0 0 41 39 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1361) S1361 > (S1361) 3-ethyl-2-{(E)-2-[3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl}-1,3-benzothiazol-3-ium iodide > (S1361) none > (S1361) 245-247 ?C > (S1361) 779.0 > (S1361) HC; DY > (S1361) true $$$$ -ISIS- 11270914432D 54 59 0 0 0 0 0 0 0 0999 V2000 0.6875 -3.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1417 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -6.5917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.9042 -3.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1125 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -1.9750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2625 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -7.3125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6292 -6.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -4.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5375 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -1.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 15 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 16 1 0 0 0 0 16 7 2 0 0 0 0 17 18 2 0 0 0 0 18 3 1 0 0 0 0 19 4 1 0 0 0 0 20 6 2 0 0 0 0 21 12 1 0 0 0 0 22 4 1 0 0 0 0 23 4 2 0 0 0 0 24 4 2 0 0 0 0 25 11 1 0 0 0 0 26 8 1 0 0 0 0 27 30 1 0 0 0 0 28 13 2 0 0 0 0 29 14 1 0 0 0 0 30 26 1 0 0 0 0 31 1 1 0 0 0 0 32 19 1 0 0 0 0 33 19 2 0 0 0 0 34 25 1 0 0 0 0 35 25 2 0 0 0 0 36 21 2 0 0 0 0 37 20 1 0 0 0 0 38 5 1 0 0 0 0 39 42 2 0 0 0 0 40 29 2 0 0 0 0 41 37 2 0 0 0 0 42 35 1 0 0 0 0 43 34 2 0 0 0 0 44 32 2 0 0 0 0 45 33 1 0 0 0 0 46 36 1 0 0 0 0 47 37 1 0 0 0 0 48 45 2 0 0 0 0 49 39 1 0 0 0 0 50 30 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 31 1 0 0 0 0 54 38 1 0 0 0 0 13 10 1 0 0 0 0 41 28 1 0 0 0 0 27 7 1 0 0 0 0 39 43 1 0 0 0 0 12 14 2 0 0 0 0 40 36 1 0 0 0 0 44 48 1 0 0 0 0 M CHG 2 1 1 22 -1 M END > (S1362) S1362 > (S1362) 5-chloro-2-{(E)-2-[3-{(E)-2-[5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1362) none > (S1362) 234-235 ?C > (S1362) 785.0 > (S1362) HC; DY > (S1362) true $$$$ -ISIS- 11270914432D 54 59 0 0 0 0 0 0 0 0999 V2000 0.7292 -3.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1875 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -6.3917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.9500 -3.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0542 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -1.9750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -2.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -7.1125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6708 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -4.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5792 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -0.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -0.5917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 15 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 7 17 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 6 2 0 0 0 0 17 18 2 0 0 0 0 18 3 1 0 0 0 0 19 4 1 0 0 0 0 20 12 2 0 0 0 0 21 13 1 0 0 0 0 22 4 1 0 0 0 0 23 10 2 0 0 0 0 24 4 2 0 0 0 0 25 4 2 0 0 0 0 26 14 1 0 0 0 0 27 11 1 0 0 0 0 28 30 1 0 0 0 0 29 7 1 0 0 0 0 30 29 1 0 0 0 0 31 1 1 0 0 0 0 32 19 1 0 0 0 0 33 19 2 0 0 0 0 34 27 1 0 0 0 0 35 27 2 0 0 0 0 36 21 2 0 0 0 0 37 40 2 0 0 0 0 38 5 1 0 0 0 0 39 26 2 0 0 0 0 40 23 1 0 0 0 0 41 42 2 0 0 0 0 42 35 1 0 0 0 0 43 34 2 0 0 0 0 44 32 2 0 0 0 0 45 33 1 0 0 0 0 46 36 1 0 0 0 0 47 37 1 0 0 0 0 48 45 2 0 0 0 0 49 41 1 0 0 0 0 50 30 1 0 0 0 0 51 48 1 0 0 0 0 52 49 1 0 0 0 0 53 31 1 0 0 0 0 54 38 1 0 0 0 0 12 9 1 0 0 0 0 37 20 1 0 0 0 0 28 6 1 0 0 0 0 41 43 1 0 0 0 0 14 13 2 0 0 0 0 36 39 1 0 0 0 0 44 48 1 0 0 0 0 M CHG 2 1 1 22 -1 M END > (S1363) S1363 > (S1363) 6-chloro-2-{(E)-2-[3-{(E)-2-[6-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1363) none > (S1363) 266-268 ?C > (S1363) 785.0 > (S1363) HC; DY > (S1363) true $$$$ -ISIS- 11270914432D 45 49 0 0 0 0 0 0 0 0999 V2000 0.0167 -2.4792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -4.3625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.1917 -2.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5375 -1.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -1.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -5.0792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0167 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -3.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 24 2 0 0 0 0 17 13 2 0 0 0 0 18 23 2 0 0 0 0 19 8 2 0 0 0 0 20 4 2 0 0 0 0 21 4 2 0 0 0 0 22 11 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 9 2 0 0 0 0 26 10 1 0 0 0 0 27 37 1 0 0 0 0 28 1 1 0 0 0 0 29 14 1 0 0 0 0 30 14 2 0 0 0 0 31 5 1 0 0 0 0 32 19 1 0 0 0 0 33 22 2 0 0 0 0 34 26 2 0 0 0 0 35 32 2 0 0 0 0 36 27 1 0 0 0 0 37 23 1 0 0 0 0 38 29 2 0 0 0 0 39 30 1 0 0 0 0 40 39 2 0 0 0 0 41 34 1 0 0 0 0 42 35 1 0 0 0 0 43 40 1 0 0 0 0 44 28 1 0 0 0 0 45 31 1 0 0 0 0 9 7 1 0 0 0 0 35 25 1 0 0 0 0 36 24 1 0 0 0 0 11 10 2 0 0 0 0 34 33 1 0 0 0 0 38 40 1 0 0 0 0 M CHG 2 1 1 15 -1 M END > (S1364) S1364 > (S1364) 3-ethyl-2-{(E)-2-[5-{(Z)-2-[3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2H-pyran-3(6H)-yl]ethenyl}-6-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1364) none > (S1364) 229-231 ?C > (S1364) 769.0 > (S1364) HC; DY > (S1364) true $$$$ -ISIS- 11270914432D 57 63 0 0 0 0 0 0 0 0999 V2000 15.3417 -6.7000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.9375 -4.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -5.0292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9292 -4.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.2542 -3.2125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.6167 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9167 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0917 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6375 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7625 -7.4167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.0542 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9375 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6375 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2042 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2042 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0750 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4042 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4917 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4042 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0792 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 24 2 0 0 0 0 4 2 1 0 0 0 0 5 12 1 0 0 0 0 6 13 2 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 11 2 0 0 0 0 10 17 2 0 0 0 0 11 6 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 8 2 0 0 0 0 15 7 1 0 0 0 0 16 6 1 0 0 0 0 17 23 1 0 0 0 0 18 15 2 0 0 0 0 19 1 1 0 0 0 0 20 1 1 0 0 0 0 21 1 2 0 0 0 0 22 1 2 0 0 0 0 23 18 1 0 0 0 0 24 29 1 0 0 0 0 25 4 1 0 0 0 0 26 4 1 0 0 0 0 27 8 1 0 0 0 0 28 7 1 0 0 0 0 29 23 2 0 0 0 0 30 19 1 0 0 0 0 31 19 2 0 0 0 0 32 3 1 0 0 0 0 33 30 2 0 0 0 0 34 31 1 0 0 0 0 35 34 2 0 0 0 0 36 5 1 0 0 0 0 37 9 1 0 0 0 0 38 11 1 0 0 0 0 39 10 1 0 0 0 0 40 17 1 0 0 0 0 41 25 2 0 0 0 0 42 25 1 0 0 0 0 43 26 2 0 0 0 0 44 26 1 0 0 0 0 45 35 1 0 0 0 0 46 32 1 0 0 0 0 47 36 1 0 0 0 0 48 49 1 0 0 0 0 49 38 2 0 0 0 0 50 40 2 0 0 0 0 51 50 1 0 0 0 0 52 43 1 0 0 0 0 53 44 2 0 0 0 0 54 41 1 0 0 0 0 55 42 2 0 0 0 0 56 55 1 0 0 0 0 57 53 1 0 0 0 0 35 33 1 0 0 0 0 28 27 1 0 0 0 0 57 52 2 0 0 0 0 56 54 2 0 0 0 0 5 9 1 0 0 0 0 3 10 1 0 0 0 0 48 37 2 0 0 0 0 51 39 2 0 0 0 0 M CHG 2 3 1 20 -1 M END > (S1365) S1365 > (S1365) 4-[(E)-2-(2-(diphenylamino)-3-{(E)-2-[1-ethyl-4(1H)-quinolinylidene]ethylidene}-1-cyclopenten-1-yl)ethenyl]-1-ethylquinolinium 4-methylbenzenesulfonate > (S1365) none > (S1365) 990.0 > (S1365) HC; DY > (S1365) Quinolinium, 4-[2-[2-(diphenylamino)-3-[(1-ethyl-4(1H)-quinolinylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-1-ethyl-, salt with 4- methylbenzenesulfonic acid (1:1) (9CI) > (S1365) true $$$$ -ISIS- 11270914432D 45 49 0 0 0 0 0 0 0 0999 V2000 0.8917 -3.2292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3542 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -5.9417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.0875 -3.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5125 -1.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -2.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -6.6542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9375 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -5.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -5.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -4.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.5167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -0.5750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 4 1 0 0 0 0 18 25 2 0 0 0 0 19 13 2 0 0 0 0 20 26 2 0 0 0 0 21 8 1 0 0 0 0 22 4 2 0 0 0 0 23 4 2 0 0 0 0 24 11 1 0 0 0 0 25 20 1 0 0 0 0 26 19 1 0 0 0 0 27 37 1 0 0 0 0 28 1 1 0 0 0 0 29 14 1 0 0 0 0 30 14 2 0 0 0 0 31 35 1 0 0 0 0 32 16 2 0 0 0 0 33 5 1 0 0 0 0 34 24 2 0 0 0 0 35 21 2 0 0 0 0 36 27 1 0 0 0 0 37 26 1 0 0 0 0 38 29 2 0 0 0 0 39 30 1 0 0 0 0 40 31 1 0 0 0 0 41 32 1 0 0 0 0 42 39 2 0 0 0 0 43 42 1 0 0 0 0 44 28 1 0 0 0 0 45 33 1 0 0 0 0 9 7 1 0 0 0 0 31 15 2 0 0 0 0 36 25 1 0 0 0 0 11 10 2 0 0 0 0 32 34 1 0 0 0 0 38 42 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1366) S1366 > (S1366) 6-chloro-2-{(E)-2-[5-{(Z)-2-[6-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2H-pyran-3(6H)-yl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1366) none > (S1366) 238-240 ?C > (S1366) 772.0 > (S1366) HC; DY > (S1366) true $$$$ -ISIS- 11270914432D 45 49 0 0 0 0 0 0 0 0999 V2000 0.7667 -2.5292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2542 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -5.3167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.9667 -2.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2292 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -1.4917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.3875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -6.0292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -1.7042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -1.1750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 24 2 0 0 0 0 19 13 2 0 0 0 0 20 23 2 0 0 0 0 21 4 2 0 0 0 0 22 4 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 37 1 0 0 0 0 26 11 1 0 0 0 0 27 10 1 0 0 0 0 28 1 1 0 0 0 0 29 14 1 0 0 0 0 30 14 2 0 0 0 0 31 15 2 0 0 0 0 32 16 2 0 0 0 0 33 5 1 0 0 0 0 34 31 1 0 0 0 0 35 26 2 0 0 0 0 36 25 1 0 0 0 0 37 23 1 0 0 0 0 38 29 2 0 0 0 0 39 30 1 0 0 0 0 40 32 1 0 0 0 0 41 31 1 0 0 0 0 42 39 2 0 0 0 0 43 42 1 0 0 0 0 44 28 1 0 0 0 0 45 33 1 0 0 0 0 10 8 1 0 0 0 0 34 27 2 0 0 0 0 36 24 1 0 0 0 0 9 11 2 0 0 0 0 35 32 1 0 0 0 0 38 42 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1367) S1367 > (S1367) 5-chloro-2-{(E)-2-[5-{(Z)-2-[5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2H-pyran-3(6H)-yl]ethenyl}-3-ethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1367) none > (S1367) 236-238 ?C > (S1367) 772.0 > (S1367) HC; DY > (S1367) true $$$$ -ISIS- 11270914432D 47 51 0 0 0 0 0 0 0 0999 V2000 0.5042 -2.6542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9792 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -5.6625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.7000 -2.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0458 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -6.3792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5542 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 24 2 0 0 0 0 19 13 2 0 0 0 0 20 23 2 0 0 0 0 21 4 2 0 0 0 0 22 4 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 37 1 0 0 0 0 26 11 1 0 0 0 0 27 10 1 0 0 0 0 28 1 1 0 0 0 0 29 14 1 0 0 0 0 30 14 2 0 0 0 0 31 15 2 0 0 0 0 32 16 2 0 0 0 0 33 5 1 0 0 0 0 34 31 1 0 0 0 0 35 26 2 0 0 0 0 36 25 1 0 0 0 0 37 23 1 0 0 0 0 38 29 2 0 0 0 0 39 30 1 0 0 0 0 40 39 2 0 0 0 0 41 31 1 0 0 0 0 42 32 1 0 0 0 0 43 40 1 0 0 0 0 44 42 1 0 0 0 0 45 41 1 0 0 0 0 46 28 1 0 0 0 0 47 33 1 0 0 0 0 10 8 1 0 0 0 0 34 27 2 0 0 0 0 36 24 1 0 0 0 0 9 11 2 0 0 0 0 35 32 1 0 0 0 0 38 40 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1368) S1368 > (S1368) 3-ethyl-2-{(E)-2-[5-{(Z)-2-[3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2H-pyran-3(6H)-yl]ethenyl}-5-methoxy-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1368) 328063-95-2 > (S1368) 240-242 ?C > (S1368) 782.0 > (S1368) HC; DY > (S1368) Benzothiazolium, 3-ethyl-2-[2-[5-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl]ethenyl]-5-methoxy-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI) > (S1368) true $$$$ -ISIS- 11270914432D 61 66 0 0 0 0 0 0 0 0999 V2000 0.2542 -1.4417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6625 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -1.9667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3542 -4.0875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.5292 -4.2292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.0042 -0.6625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.2417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 0.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9792 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -4.7417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2250 -3.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8625 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -5.1542 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 4.5792 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 17 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 34 1 0 0 0 0 6 33 1 0 0 0 0 7 2 1 0 0 0 0 8 14 2 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 10 2 0 0 0 0 14 20 1 0 0 0 0 15 8 1 0 0 0 0 16 7 1 0 0 0 0 17 19 1 0 0 0 0 18 3 1 0 0 0 0 19 15 2 0 0 0 0 20 18 2 0 0 0 0 21 5 1 0 0 0 0 22 6 1 0 0 0 0 23 5 2 0 0 0 0 24 5 2 0 0 0 0 25 6 2 0 0 0 0 26 6 2 0 0 0 0 28 11 1 0 0 0 0 29 11 1 0 0 0 0 30 31 1 0 0 0 0 31 14 1 0 0 0 0 32 1 1 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 35 4 1 0 0 0 0 36 32 1 0 0 0 0 37 35 1 0 0 0 0 38 10 1 0 0 0 0 39 12 1 0 0 0 0 40 13 1 0 0 0 0 41 16 1 0 0 0 0 42 27 1 0 0 0 0 43 27 1 0 0 0 0 44 27 1 0 0 0 0 45 29 2 0 0 0 0 46 29 1 0 0 0 0 47 28 2 0 0 0 0 48 28 1 0 0 0 0 49 43 1 0 0 0 0 50 44 1 0 0 0 0 51 42 1 0 0 0 0 52 39 2 0 0 0 0 53 38 2 0 0 0 0 54 41 2 0 0 0 0 55 53 1 0 0 0 0 56 45 1 0 0 0 0 57 46 2 0 0 0 0 58 47 1 0 0 0 0 59 48 2 0 0 0 0 60 59 1 0 0 0 0 61 57 1 0 0 0 0 13 9 1 0 0 0 0 55 40 2 0 0 0 0 15 30 1 0 0 0 0 61 56 2 0 0 0 0 60 58 2 0 0 0 0 12 16 2 0 0 0 0 54 52 1 0 0 0 0 M CHG 4 1 1 21 -1 22 -1 27 1 M END > (S1369) S1369 > (S1369) N,N-diethyl-1-ethanaminium 3-{2-[(Z)-2-(2-(diphenylamino)-3-{(E)-2-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl}-2-cyclopenten-1-ylidene)ethylidene]-1,3-benzothiazol-3-yl}-1-propanesulfo nate > (S1369) 185840-01-1 > (S1369) HC; DY > (S1369) Benzothiazolium, 2-[2-[2-(diphenylamino)-3-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) (9CI) > (S1369) true $$$$ -ISIS- 11270914432D 34 36 0 0 0 0 0 0 0 0999 V2000 1.4042 -2.9167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2250 -2.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4375 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -4.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -1.6750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0500 -1.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8417 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -4.1417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7292 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -4.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 13 2 0 0 0 0 4 1 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 18 1 0 0 0 0 14 4 1 0 0 0 0 15 5 2 0 0 0 0 16 5 2 0 0 0 0 17 5 2 0 0 0 0 18 20 2 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 21 1 1 0 0 0 0 22 2 1 0 0 0 0 23 6 1 0 0 0 0 24 6 1 0 0 0 0 25 7 1 0 0 0 0 26 7 1 0 0 0 0 27 8 1 0 0 0 0 28 9 1 0 0 0 0 29 10 1 0 0 0 0 30 11 1 0 0 0 0 31 27 2 0 0 0 0 32 28 2 0 0 0 0 33 30 2 0 0 0 0 34 31 1 0 0 0 0 10 7 1 0 0 0 0 34 29 2 0 0 0 0 9 11 2 0 0 0 0 33 32 1 0 0 0 0 M CHG 2 1 1 12 -1 M END > (S1370) S1370 > (S1370) 1,3,3-trimethyl-2-[(1E,3E)-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3H-indolium perchlorate > (S1370) 81666-87-7 > (S1370) 637.0 > (S1370) HC; DY > (S1370) 3H-Indolium, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-, perchlorate (9CI); 1,3,3-Trimethyl-2-[5-(1,3,3-trimethyl-2-indolinylidene)-1,3-pentadienyl]-3H-indolium perchlorate (6CI); 1,1',3,3,3',3'-Hexamethylindodicarbocyanine perchlorate; NK 2670; PD 643 > (S1370) true $$$$ -ISIS- 11270914432D 65 70 0 0 0 0 0 0 0 0999 V2000 0.9875 -2.0542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3917 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -2.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3750 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -4.6750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.3292 -4.7250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.7167 -1.1167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.8417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -0.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2125 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.3417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0000 -3.9667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6375 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -5.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -5.1917 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 3.8250 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5167 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 17 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 38 1 0 0 0 0 7 37 1 0 0 0 0 8 2 1 0 0 0 0 9 16 2 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 5 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 18 3 1 0 0 0 0 19 15 2 0 0 0 0 20 18 2 0 0 0 0 21 5 1 0 0 0 0 22 11 1 0 0 0 0 23 6 1 0 0 0 0 24 7 1 0 0 0 0 25 6 2 0 0 0 0 26 6 2 0 0 0 0 27 7 2 0 0 0 0 28 7 2 0 0 0 0 30 14 1 0 0 0 0 31 14 1 0 0 0 0 32 16 1 0 0 0 0 33 32 1 0 0 0 0 34 1 1 0 0 0 0 35 13 1 0 0 0 0 36 12 1 0 0 0 0 37 43 1 0 0 0 0 38 42 1 0 0 0 0 39 4 1 0 0 0 0 40 21 2 0 0 0 0 41 22 2 0 0 0 0 42 34 1 0 0 0 0 43 39 1 0 0 0 0 44 35 2 0 0 0 0 45 40 1 0 0 0 0 46 40 1 0 0 0 0 47 41 1 0 0 0 0 48 29 1 0 0 0 0 49 29 1 0 0 0 0 50 29 1 0 0 0 0 51 30 2 0 0 0 0 52 30 1 0 0 0 0 53 31 2 0 0 0 0 54 31 1 0 0 0 0 55 47 1 0 0 0 0 56 46 1 0 0 0 0 57 49 1 0 0 0 0 58 50 1 0 0 0 0 59 48 1 0 0 0 0 60 51 1 0 0 0 0 61 52 2 0 0 0 0 62 53 1 0 0 0 0 63 54 2 0 0 0 0 64 63 1 0 0 0 0 65 61 1 0 0 0 0 12 10 1 0 0 0 0 45 36 2 0 0 0 0 15 33 1 0 0 0 0 64 62 2 0 0 0 0 65 60 2 0 0 0 0 11 13 2 0 0 0 0 44 41 1 0 0 0 0 M CHG 4 1 1 23 -1 24 -1 29 1 M END > (S1371) S1371 > (S1371) N,N-diethyl-1-ethanaminium 3-{2-[(Z)-2-(2-(diphenylamino)-3-{(E)-2-[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl}-2-cyclopenten-1-ylidene)ethylidene]-5-methoxy-1,3-benzothiazol- 3-yl}-1-propanesulfonate > (S1371) none > (S1371) 217-218 ?C > (S1371) 825.0 > (S1371) HC; DY > (S1371) true $$$$ -ISIS- 11270914432D 57 64 0 0 0 0 0 0 0 0999 V2000 -0.1333 -2.1667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3042 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -5.3375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.0417 -2.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7583 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -0.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -0.9417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -6.0500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1875 -4.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 14 3 1 0 0 0 0 15 18 1 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 14 2 0 0 0 0 19 6 1 0 0 0 0 20 9 1 0 0 0 0 21 4 1 0 0 0 0 22 4 1 0 0 0 0 23 4 2 0 0 0 0 24 4 2 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 27 12 1 0 0 0 0 28 19 1 0 0 0 0 29 20 1 0 0 0 0 30 1 1 0 0 0 0 31 26 2 0 0 0 0 32 28 1 0 0 0 0 33 21 1 0 0 0 0 34 21 2 0 0 0 0 35 5 1 0 0 0 0 36 33 2 0 0 0 0 37 34 1 0 0 0 0 38 37 2 0 0 0 0 39 15 1 0 0 0 0 40 43 1 0 0 0 0 41 20 2 0 0 0 0 42 19 2 0 0 0 0 43 39 1 0 0 0 0 44 27 1 0 0 0 0 45 27 2 0 0 0 0 46 29 2 0 0 0 0 47 28 2 0 0 0 0 48 38 1 0 0 0 0 49 30 1 0 0 0 0 50 35 1 0 0 0 0 51 41 1 0 0 0 0 52 42 1 0 0 0 0 53 44 2 0 0 0 0 54 45 1 0 0 0 0 55 52 2 0 0 0 0 56 51 2 0 0 0 0 57 54 2 0 0 0 0 10 8 1 0 0 0 0 32 25 2 0 0 0 0 55 47 1 0 0 0 0 40 16 1 0 0 0 0 57 53 1 0 0 0 0 9 11 2 0 0 0 0 31 29 1 0 0 0 0 46 56 1 0 0 0 0 36 38 1 0 0 0 0 M CHG 2 1 1 22 -1 M END > (S1373) S1373 > (S1373) 1-ethyl-2-[(E)-2-(3-{(E)-2-[1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]ethylidene}-2-phenyl-1-cyclohexen-1-yl)ethenyl]naphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzenesulfonate > (S1373) none > (S1373) 228-230 ?C > (S1373) 819.0 > (S1373) HC; DY > (S1373) Naphtho[1,2-d]thiazolium, 1-ethyl-2-[2-[3-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-, salt with 4- methylbenzenesulfonic acid (1:1) (9CI) > (S1373) true $$$$ -ISIS- 11270914432D 39 42 0 0 0 0 0 0 0 0999 V2000 0.5917 -2.6625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0625 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -2.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1417 -1.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2542 -1.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0292 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -5.1542 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.6292 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -5.0917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -5.2167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -5.9792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -4.3292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 14 1 0 0 0 0 12 3 1 0 0 0 0 14 17 2 0 0 0 0 15 12 2 0 0 0 0 16 18 2 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 31 1 0 0 0 0 20 1 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 4 1 0 0 0 0 26 5 1 0 0 0 0 27 5 1 0 0 0 0 28 6 1 0 0 0 0 29 6 1 0 0 0 0 30 19 1 0 0 0 0 31 18 1 0 0 0 0 32 7 1 0 0 0 0 33 8 1 0 0 0 0 34 9 1 0 0 0 0 35 10 1 0 0 0 0 36 35 2 0 0 0 0 37 32 2 0 0 0 0 38 37 1 0 0 0 0 39 33 2 0 0 0 0 9 6 1 0 0 0 0 38 34 2 0 0 0 0 30 17 1 0 0 0 0 8 10 2 0 0 0 0 36 39 1 0 0 0 0 M CHG 2 1 1 13 -1 M END > (S1374) S1374 > (S1374) 1,3,3-trimethyl-2-{(E)-2-[5-[(Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2H-pyran-3(6H)-yl]ethenyl}-3H-indolium tetrafluoroborate > (S1374) 262607-24-9 > (S1374) 221-223 ?C > (S1374) 746.0 > (S1374) HC; DY > (S1374) 3H-Indolium, 2-[2-[5-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (9CI) > (S1374) true $$$$ -ISIS- 11270914432D 45 49 0 0 0 0 0 0 0 0999 V2000 0.5917 -3.1042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0625 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -3.0875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1417 -1.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2542 -1.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0292 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -5.2042 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.6292 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -5.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -5.2667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -6.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -4.3792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 1 1 0 0 0 0 21 14 1 0 0 0 0 22 14 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 4 1 0 0 0 0 26 5 1 0 0 0 0 27 5 1 0 0 0 0 28 6 1 0 0 0 0 29 6 1 0 0 0 0 30 7 1 0 0 0 0 31 8 1 0 0 0 0 32 10 1 0 0 0 0 33 9 1 0 0 0 0 34 18 1 0 0 0 0 35 36 1 0 0 0 0 36 34 1 0 0 0 0 37 19 1 0 0 0 0 38 19 2 0 0 0 0 39 31 2 0 0 0 0 40 32 2 0 0 0 0 41 30 2 0 0 0 0 42 41 1 0 0 0 0 43 38 1 0 0 0 0 44 37 2 0 0 0 0 45 43 2 0 0 0 0 9 6 1 0 0 0 0 42 33 2 0 0 0 0 35 16 1 0 0 0 0 45 44 1 0 0 0 0 8 10 2 0 0 0 0 40 39 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1375) S1375 > (S1375) 1,3,3-trimethyl-2-((E)-2-{2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-3H-indolium tetrafluoroborate > (S1375) 246517-73-7 > (S1375) 278-279 ?C > (S1375) 755.0 > (S1375) HC; DY > (S1375) 3H-Indolium, 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (9CI) > (S1375) true $$$$ -ISIS- 11270914432D 44 48 0 0 0 0 0 0 0 0999 V2000 0.1417 -2.7917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5792 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -2.8375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7792 -1.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 -1.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4583 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -4.9375 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.1542 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -4.8792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -5.0042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -5.7667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -4.1167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 17 1 0 0 0 0 12 3 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 15 13 1 0 0 0 0 17 15 2 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 22 1 1 0 0 0 0 23 16 1 0 0 0 0 24 16 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 4 1 0 0 0 0 28 5 1 0 0 0 0 29 5 1 0 0 0 0 30 6 1 0 0 0 0 31 6 1 0 0 0 0 32 7 1 0 0 0 0 33 8 1 0 0 0 0 34 10 1 0 0 0 0 35 9 1 0 0 0 0 36 19 1 0 0 0 0 37 19 2 0 0 0 0 38 32 2 0 0 0 0 39 33 2 0 0 0 0 40 34 2 0 0 0 0 41 38 1 0 0 0 0 42 37 1 0 0 0 0 43 36 2 0 0 0 0 44 42 2 0 0 0 0 9 6 1 0 0 0 0 41 35 2 0 0 0 0 15 20 1 0 0 0 0 44 43 1 0 0 0 0 8 10 2 0 0 0 0 40 39 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1376) S1376 > (S1376) 1,3,3-trimethyl-2-((E)-2-{2-phenyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl}ethenyl)-3H-indolium tetrafluoroborate > (S1376) 246517-72-6 > (S1376) 248-249 ?C > (S1376) 783.0 > (S1376) HC; DY > (S1376) 3H-Indolium, 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (9CI) > (S1376) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 -0.1333 0.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1125 0.2333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 1.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4917 1.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5875 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.7167 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -1.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.7792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -2.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 13 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 12 1 1 0 0 0 0 13 16 1 0 0 0 0 14 4 1 0 0 0 0 15 2 1 0 0 0 0 16 18 2 0 0 0 0 17 14 2 0 0 0 0 18 20 1 0 0 0 0 19 17 1 0 0 0 0 20 19 2 0 0 0 0 21 11 1 0 0 0 0 22 11 1 0 0 0 0 23 11 1 0 0 0 0 24 11 1 0 0 0 0 25 6 1 0 0 0 0 26 6 1 0 0 0 0 27 7 1 0 0 0 0 28 7 1 0 0 0 0 29 5 1 0 0 0 0 30 8 1 0 0 0 0 31 9 1 0 0 0 0 32 10 1 0 0 0 0 33 12 2 0 0 0 0 34 12 1 0 0 0 0 35 15 1 0 0 0 0 36 15 2 0 0 0 0 37 30 2 0 0 0 0 38 29 2 0 0 0 0 39 32 2 0 0 0 0 40 38 1 0 0 0 0 41 36 1 0 0 0 0 42 35 2 0 0 0 0 43 34 2 0 0 0 0 44 33 1 0 0 0 0 45 41 2 0 0 0 0 46 43 1 0 0 0 0 9 7 1 0 0 0 0 46 44 2 0 0 0 0 40 31 2 0 0 0 0 8 10 2 0 0 0 0 39 37 1 0 0 0 0 45 42 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1377) S1377 > (S1377) 2-[(1E,3E,5E)-7-(3,3-dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3,3-dimethyl-1-phenyl-3H-indolium tetrafluoroborate > (S1377) none > (S1377) 758.0 > (S1377) HC; DY > (S1377) 3H-Indolium, 2-[7-(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3,3-dimethyl-1-phenyl-, tetrafluoroborate(-1) (9CI) > (S1377) true $$$$ -ISIS- 11270914432D 54 60 0 0 0 0 0 0 0 0999 V2000 0.7125 -2.5417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1000 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -2.5417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2167 -1.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4250 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -4.3667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.6792 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -4.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -4.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -5.1917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -3.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 17 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 13 1 0 0 0 0 15 18 1 0 0 0 0 17 14 2 0 0 0 0 18 12 2 0 0 0 0 19 1 1 0 0 0 0 20 4 1 0 0 0 0 21 13 1 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 24 16 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 6 1 0 0 0 0 29 6 1 0 0 0 0 30 7 1 0 0 0 0 31 7 1 0 0 0 0 32 5 1 0 0 0 0 33 8 1 0 0 0 0 34 10 1 0 0 0 0 35 9 1 0 0 0 0 36 19 1 0 0 0 0 37 19 2 0 0 0 0 38 20 1 0 0 0 0 39 20 2 0 0 0 0 40 21 1 0 0 0 0 41 21 2 0 0 0 0 42 32 2 0 0 0 0 43 33 2 0 0 0 0 44 42 1 0 0 0 0 45 34 2 0 0 0 0 46 37 1 0 0 0 0 47 36 2 0 0 0 0 48 41 1 0 0 0 0 49 40 2 0 0 0 0 50 39 1 0 0 0 0 51 38 2 0 0 0 0 52 48 2 0 0 0 0 53 50 2 0 0 0 0 54 46 2 0 0 0 0 9 7 1 0 0 0 0 54 47 1 0 0 0 0 44 35 2 0 0 0 0 14 23 1 0 0 0 0 52 49 1 0 0 0 0 8 10 2 0 0 0 0 45 43 1 0 0 0 0 53 51 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1378) S1378 > (S1378) 2-((E)-2-{3-[(E)-2-(3,3-dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl}ethenyl)-3,3-dimethyl-1-phenyl-3H-indolium tetrafluoroborate > (S1378) none > (S1378) 798.0 > (S1378) HC; DY > (S1378) 3H-Indolium, 2-[2-[3-[(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-3,3-dimethyl-1-phenyl-, tetrafluoroborate(-1) (9CI) > (S1378) true $$$$ -ISIS- 11270914432D 43 46 0 0 0 0 0 0 0 0999 V2000 -0.1083 -2.6667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5792 -2.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7917 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -1.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -1.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6458 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -4.3042 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.5042 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3750 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -4.3750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -5.1417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -3.4792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 15 2 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 12 20 2 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 15 18 1 0 0 0 0 16 4 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 19 16 2 0 0 0 0 20 19 1 0 0 0 0 21 13 1 0 0 0 0 22 12 1 0 0 0 0 23 17 1 0 0 0 0 24 1 1 0 0 0 0 25 11 1 0 0 0 0 26 11 1 0 0 0 0 27 11 1 0 0 0 0 28 11 1 0 0 0 0 29 2 1 0 0 0 0 30 5 1 0 0 0 0 31 5 1 0 0 0 0 32 6 1 0 0 0 0 33 6 1 0 0 0 0 34 7 1 0 0 0 0 35 8 1 0 0 0 0 36 10 1 0 0 0 0 37 9 1 0 0 0 0 38 17 1 0 0 0 0 39 17 1 0 0 0 0 40 41 1 0 0 0 0 41 34 2 0 0 0 0 42 35 2 0 0 0 0 43 36 2 0 0 0 0 9 6 1 0 0 0 0 40 37 2 0 0 0 0 23 13 1 0 0 0 0 8 10 2 0 0 0 0 43 42 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1379) S1379 > (S1379) 2-((E)-3-{5,5-dimethyl-3-[(E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene}-1-propenyl)-1,3,3-trimethyl-3H-indolium tetrafluoroborate > (S1379) 410536-44-6 > (S1379) 858.0 > (S1379) HC; DY > (S1379) 3H-Indolium, 2-[3-[3-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-1,3,3-trimethyl-, tetrafluoroborate(1-) (9CI) > (S1379) true $$$$ -ISIS- 11270914432D 48 51 0 0 0 0 0 0 0 0999 V2000 0.7917 -2.2250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2417 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -2.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2417 -1.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4667 -1.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2667 -4.6542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.7667 -4.5917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.2417 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -3.8667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5875 -5.4000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5167 -5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -4.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 -3.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -5.5792 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.6792 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 30 1 0 0 0 0 8 29 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 5 1 0 0 0 0 13 16 1 0 0 0 0 14 3 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 7 2 0 0 0 0 23 7 2 0 0 0 0 24 8 2 0 0 0 0 25 8 2 0 0 0 0 26 1 1 0 0 0 0 27 4 1 0 0 0 0 28 15 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 32 27 1 0 0 0 0 33 5 1 0 0 0 0 34 5 1 0 0 0 0 35 6 1 0 0 0 0 36 6 1 0 0 0 0 37 9 1 0 0 0 0 38 10 1 0 0 0 0 39 11 1 0 0 0 0 40 12 1 0 0 0 0 42 18 1 0 0 0 0 43 44 1 0 0 0 0 44 42 1 0 0 0 0 45 38 2 0 0 0 0 46 40 2 0 0 0 0 47 37 2 0 0 0 0 48 47 1 0 0 0 0 11 6 1 0 0 0 0 48 39 2 0 0 0 0 43 19 1 0 0 0 0 10 12 2 0 0 0 0 46 45 1 0 0 0 0 M CHG 4 1 1 20 -1 21 -1 41 1 M END > (S1380) S1380 > (S1380) sodium 3-{2-[(E)-2-(2-chloro-3-{(E)-2-[3,3-dimethyl-1-(3-sulfonatopropyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-3,3-dimethyl-3H-indolium-1-yl}-1-propanesulfonate > (S1380) 115970-63-3 > (S1380) 177-179 ?C > (S1380) 783.0 > (S1380) HC; DY > (S1380) 3H-Indolium, 2-[2-[2-chloro-3-[[1,3-dihydro-3,3-dimethyl-1-(3-sulfopropyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(3-sulfopropyl)-, inner salt, sodium salt (9CI); CY 19 > (S1380) true $$$$ -ISIS- 11270914432D 40 44 0 0 0 0 0 0 0 0999 V2000 3.5875 -3.2292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9750 -3.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6042 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -5.4667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.8667 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -5.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -5.5292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -6.2917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -4.6417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1917 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 12 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 13 2 0 0 0 0 15 1 1 0 0 0 0 16 10 1 0 0 0 0 17 9 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 2 1 0 0 0 0 23 5 2 0 0 0 0 24 6 1 0 0 0 0 25 7 2 0 0 0 0 26 8 1 0 0 0 0 27 23 1 0 0 0 0 28 26 2 0 0 0 0 29 25 1 0 0 0 0 30 24 2 0 0 0 0 31 17 2 0 0 0 0 32 16 2 0 0 0 0 33 29 2 0 0 0 0 34 27 2 0 0 0 0 35 15 1 0 0 0 0 36 22 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 8 9 2 0 0 0 0 34 17 1 0 0 0 0 31 28 1 0 0 0 0 6 10 2 0 0 0 0 33 16 1 0 0 0 0 32 30 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1382) S1382 > (S1382) 1-butyl-2-{(E)-3-[1-butylbenzo[cd]indol-2(1H)-ylidene]-1-propenyl}benzo[cd]indolium tetrafluoroborate > (S1382) 143185-79-9 > (S1382) 241-243 ?C > (S1382) 760.0 > (S1382) HC; DY > (S1382) Benz[cd]indolium, 1-butyl-2-[3-(1-butylbenz[cd]indol-2(1H)-ylidene)-1-propenyl]-, (E,E)-, tetrafluoroborate(1-) (9CI) > (S1382) true $$$$ -ISIS- 11270914432D 50 54 0 0 0 0 0 0 0 0999 V2000 0.8167 -1.9917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2000 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0125 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -3.9292 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.8417 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -3.9292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -3.9292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -3.1042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -4.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 16 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 3 2 0 0 0 0 15 6 1 0 0 0 0 16 18 1 0 0 0 0 17 5 1 0 0 0 0 18 17 2 0 0 0 0 19 12 2 0 0 0 0 20 22 2 0 0 0 0 21 15 2 0 0 0 0 22 14 1 0 0 0 0 23 1 1 0 0 0 0 24 11 1 0 0 0 0 25 11 1 0 0 0 0 26 11 1 0 0 0 0 27 11 1 0 0 0 0 28 2 1 0 0 0 0 29 9 2 0 0 0 0 30 10 1 0 0 0 0 31 20 1 0 0 0 0 32 19 1 0 0 0 0 33 13 2 0 0 0 0 34 36 2 0 0 0 0 35 30 2 0 0 0 0 36 29 1 0 0 0 0 37 31 1 0 0 0 0 38 32 1 0 0 0 0 39 23 1 0 0 0 0 40 28 1 0 0 0 0 41 38 1 0 0 0 0 42 37 1 0 0 0 0 43 41 1 0 0 0 0 44 40 1 0 0 0 0 45 42 1 0 0 0 0 46 39 1 0 0 0 0 47 43 1 0 0 0 0 48 45 1 0 0 0 0 49 44 1 0 0 0 0 50 46 1 0 0 0 0 10 7 2 0 0 0 0 33 35 1 0 0 0 0 20 13 1 0 0 0 0 6 8 2 0 0 0 0 34 12 1 0 0 0 0 19 21 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1383) S1383 > (S1383) 6-butoxy-2-{(E)-3-[6-butoxy-1-butylbenzo[cd]indol-2(1H)-ylidene]-1-propenyl}-1-butylbenzo[cd]indolium tetrafluoroborate > (S1383) none > (S1383) 202-204 ?C > (S1383) 920.0 > (S1383) HC; DY > (S1383) true $$$$ -ISIS- 11270914432D 40 43 0 0 0 0 0 0 0 0999 V2000 1.5500 -2.6792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0792 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3375 -1.3125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -1.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -4.2125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.9042 -3.8042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.2875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -4.5250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9083 -3.5542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3167 -3.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -4.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -1.7917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -2.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -4.6667 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 10 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 11 2 0 0 0 0 14 7 2 0 0 0 0 15 5 1 0 0 0 0 16 7 1 0 0 0 0 17 12 1 0 0 0 0 18 9 1 0 0 0 0 19 8 1 0 0 0 0 20 9 2 0 0 0 0 21 9 2 0 0 0 0 22 8 2 0 0 0 0 23 8 2 0 0 0 0 24 25 1 0 0 0 0 25 11 1 0 0 0 0 26 1 1 0 0 0 0 27 14 1 0 0 0 0 28 15 1 0 0 0 0 29 4 1 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 32 17 2 0 0 0 0 33 16 2 0 0 0 0 34 26 1 0 0 0 0 35 29 1 0 0 0 0 36 33 1 0 0 0 0 37 28 2 0 0 0 0 38 32 1 0 0 0 0 39 33 1 0 0 0 0 14 6 1 0 0 0 0 36 27 2 0 0 0 0 10 24 1 0 0 0 0 12 15 2 0 0 0 0 37 32 1 0 0 0 0 M CHG 4 1 1 18 -1 19 -1 40 1 M END > (S1388) S1388 > (S1388) sodium 3-(5-chloro-2-{3-[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-2-cyclopenten-1-ylidene}-1,3-benzothiazol-3-yl)-1-propanesulfonate > (S1388) 351524-15-7 > (S1388) 268-269 ?C > (S1388) 617.0 > (S1388) HC; DY > (S1388) Benzothiazolium, 5-chloro-2-[3-[5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-cyclopenten-1-yl]-3-(3-sulfopropyl)-, inner salt, sodium salt (9CI) > (S1388) true $$$$ -ISIS- 11270914432D 38 42 0 0 0 0 0 0 0 0999 V2000 1.9292 -3.1042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5375 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.4417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1958 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -3.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3792 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -6.1542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2125 -5.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -4.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 8 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 9 2 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 4 1 0 0 0 0 17 4 2 0 0 0 0 18 4 2 0 0 0 0 19 7 1 0 0 0 0 20 19 1 0 0 0 0 21 1 1 0 0 0 0 22 15 1 0 0 0 0 23 15 2 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 25 2 0 0 0 0 27 11 1 0 0 0 0 28 9 1 0 0 0 0 29 14 1 0 0 0 0 30 12 1 0 0 0 0 31 13 1 0 0 0 0 32 26 1 0 0 0 0 33 21 1 0 0 0 0 34 27 1 0 0 0 0 35 28 2 0 0 0 0 36 29 2 0 0 0 0 37 35 1 0 0 0 0 38 31 2 0 0 0 0 12 5 1 0 0 0 0 37 30 2 0 0 0 0 8 20 1 0 0 0 0 14 13 2 0 0 0 0 38 36 1 0 0 0 0 24 26 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1395) S1395 > (S1395) 3-ethyl-2-{3-[3-ethyl-1-benzothiophen-2(3H)-ylidene]-1-cyclopenten-1-yl}-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate > (S1395) none > (S1395) 198-200 ?C > (S1395) 614.0 > (S1395) HC; DY > (S1395) true $$$$ -ISIS- 11270914432D 50 53 0 0 0 0 0 0 0 0999 V2000 0.6042 -2.2750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0917 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -2.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0875 -1.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 -1.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4042 -5.7667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.5167 -5.7417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -5.6042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7375 -5.9792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2042 -5.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -6.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -6.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -5.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.1167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -6.1542 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.9375 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 5 1 0 0 0 0 13 16 1 0 0 0 0 14 3 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 7 2 0 0 0 0 23 7 2 0 0 0 0 24 8 2 0 0 0 0 25 8 2 0 0 0 0 26 1 1 0 0 0 0 27 15 1 0 0 0 0 28 4 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 5 1 0 0 0 0 32 5 1 0 0 0 0 33 6 1 0 0 0 0 34 6 1 0 0 0 0 35 9 1 0 0 0 0 36 10 1 0 0 0 0 37 11 1 0 0 0 0 38 12 1 0 0 0 0 40 42 1 0 0 0 0 41 18 1 0 0 0 0 42 41 1 0 0 0 0 43 26 1 0 0 0 0 44 28 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 35 2 0 0 0 0 48 47 1 0 0 0 0 49 36 2 0 0 0 0 50 38 2 0 0 0 0 11 6 1 0 0 0 0 48 37 2 0 0 0 0 40 19 1 0 0 0 0 10 12 2 0 0 0 0 50 49 1 0 0 0 0 M CHG 4 1 1 20 -1 21 -1 39 1 M END > (S1397) S1397 > (S1397) sodium 4-{2-[(E)-2-(2-chloro-3-{(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-3,3-dimethyl-3H-indolium-1-yl}-1-butanesulfonate > (S1397) 115970-66-6 > (S1397) 231-233 ?C > (S1397) 783.0 > (S1397) HC; DY > (S1397) 3H-Indolium, 2-[2-[2-chloro-3-[[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt, sodium salt (9CI); IR-783 > (S1397) true $$$$ -ISIS- 11270914432D 49 54 0 0 0 0 0 0 0 0999 V2000 0.6042 -2.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0792 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -2.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -1.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 -1.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3417 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -5.2667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.4042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -3.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -5.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -5.3292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -6.0875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -4.4417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 14 1 1 0 0 0 0 15 19 2 0 0 0 0 16 12 2 0 0 0 0 17 18 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 4 1 0 0 0 0 21 33 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 6 1 0 0 0 0 27 6 1 0 0 0 0 28 7 1 0 0 0 0 29 7 1 0 0 0 0 30 5 1 0 0 0 0 31 8 1 0 0 0 0 32 21 1 0 0 0 0 33 18 1 0 0 0 0 34 10 1 0 0 0 0 35 9 1 0 0 0 0 36 14 1 0 0 0 0 37 14 2 0 0 0 0 38 20 2 0 0 0 0 39 20 1 0 0 0 0 40 30 2 0 0 0 0 41 31 2 0 0 0 0 42 40 1 0 0 0 0 43 34 2 0 0 0 0 44 39 2 0 0 0 0 45 38 1 0 0 0 0 46 37 1 0 0 0 0 47 36 2 0 0 0 0 48 46 2 0 0 0 0 49 44 1 0 0 0 0 9 7 1 0 0 0 0 48 47 1 0 0 0 0 42 35 2 0 0 0 0 32 19 1 0 0 0 0 8 10 2 0 0 0 0 43 41 1 0 0 0 0 49 45 2 0 0 0 0 M CHG 2 1 1 13 -1 M END > (S1400) S1400 > (S1400) 2-{(E)-2-[5-[(Z)-2-(3,3-dimethyl-1-phenyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2H-pyran-3(6H)-yl]ethenyl}-3,3-dimethyl-1-phenyl-3H-indolium tetrafluoroborate > (S1400) 262607-26-1 > (S1400) 219-220 ?C > (S1400) 762.0 > (S1400) HC; DY > (S1400) 3H-Indolium, 2-[2-[5-[(1,3-dihydro-3,3-dimethyl-1-phenyl-2H-indol-2-ylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl]ethenyl]-3,3-dimethyl-1-phenyl-, tetrafluoroborate(1-) (9CI) > (S1400) true $$$$ -ISIS- 11270914432D 37 39 0 0 0 0 0 0 0 0999 V2000 9.0542 -5.7417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6000 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0292 -6.8417 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.5625 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9167 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 -2.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8417 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -6.7875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -6.9125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -7.6750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -6.0250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7417 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3417 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5250 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8875 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 14 2 0 0 0 0 12 21 2 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 1 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 18 7 1 0 0 0 0 19 7 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 22 10 1 0 0 0 0 23 5 1 0 0 0 0 24 22 1 0 0 0 0 25 22 2 0 0 0 0 26 11 1 0 0 0 0 27 8 2 0 0 0 0 28 23 2 0 0 0 0 29 13 1 0 0 0 0 30 13 1 0 0 0 0 31 26 1 0 0 0 0 32 15 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 5 4 2 0 0 0 0 11 8 1 0 0 0 0 27 28 1 0 0 0 0 12 20 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S1402) S1402 > (S1402) 6-butoxy-1-butyl-2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}benzo[cd]indolium tetrafluoroborate > (S1402) none > (S1402) 232-234 ?C > (S1402) 663.0 > (S1402) HC; DY > (S1402) true $$$$ -ISIS- 11270914432D 38 40 0 0 0 0 0 0 0 0999 V2000 1.4917 -3.0917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.8417 -0.2292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2125 -0.2792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.3125 -3.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5292 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -2.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 -1.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8042 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.1125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5917 -0.5792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9375 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -0.6917 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 5 25 2 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 18 12 1 0 0 0 0 19 3 1 0 0 0 0 20 2 1 0 0 0 0 21 3 2 0 0 0 0 22 3 2 0 0 0 0 23 2 2 0 0 0 0 24 2 2 0 0 0 0 25 29 1 0 0 0 0 26 6 1 0 0 0 0 27 17 2 0 0 0 0 28 18 2 0 0 0 0 29 31 2 0 0 0 0 30 26 2 0 0 0 0 31 30 1 0 0 0 0 32 1 1 0 0 0 0 33 4 1 0 0 0 0 34 10 1 0 0 0 0 35 10 1 0 0 0 0 36 11 1 0 0 0 0 37 11 1 0 0 0 0 7 11 1 0 0 0 0 13 15 2 0 0 0 0 12 8 2 0 0 0 0 14 28 1 0 0 0 0 M CHG 4 1 1 19 -1 20 -1 38 1 M END > (S1403) S1403 > (S1403) sodium 1,3,3-trimethyl-2-[(1E,3E)-5-(1,3,3-trimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3H-indolium-5-sulfonate > (S1403) none > (S1403) 650.0 > (S1403) HC; DY > (S1403) 3H-Indolium, 2-[5-(1,3-dihydro-1,3,3-trimethyl-5-sulfo-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-5-sulfo-, inner salt, sodium salt (9CI) > (S1403) true $$$$ -ISIS- 11270914432D 52 52 0 0 0 0 0 0 0 0999 V2000 0.5792 -3.6292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9250 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.1250 -0.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.3917 -3.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -2.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 -2.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8917 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -6.3792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.4917 -5.6292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.7375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6792 -1.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8042 -6.9750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3000 -6.4417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8583 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -5.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -4.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -1.2292 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9292 -6.7292 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.5667 -0.2917 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 5 29 2 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 43 1 0 0 0 0 14 42 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 12 1 0 0 0 0 21 3 1 0 0 0 0 22 2 1 0 0 0 0 23 13 1 0 0 0 0 24 14 1 0 0 0 0 25 3 2 0 0 0 0 26 3 2 0 0 0 0 27 2 2 0 0 0 0 28 2 2 0 0 0 0 29 38 1 0 0 0 0 30 6 1 0 0 0 0 31 13 2 0 0 0 0 32 13 2 0 0 0 0 33 14 2 0 0 0 0 34 14 2 0 0 0 0 35 1 1 0 0 0 0 36 20 2 0 0 0 0 37 19 2 0 0 0 0 38 40 2 0 0 0 0 39 30 2 0 0 0 0 40 39 1 0 0 0 0 41 4 1 0 0 0 0 42 45 1 0 0 0 0 43 44 1 0 0 0 0 44 35 1 0 0 0 0 45 41 1 0 0 0 0 46 10 1 0 0 0 0 47 10 1 0 0 0 0 48 11 1 0 0 0 0 49 11 1 0 0 0 0 7 11 1 0 0 0 0 15 17 2 0 0 0 0 12 8 2 0 0 0 0 16 36 1 0 0 0 0 M CHG 8 1 1 21 -1 22 -1 23 -1 24 -1 50 1 51 1 52 1 M END > (S1404) S1404 > (S1404) trisodium 2-{(1E,3E)-5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)-1,3-dihydro-2H-indol-2-ylidene]-1,3-pentadienyl}-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate > (S1404) 190517-63-6 > (S1404) 654.0 > (S1404) HC; DY > (S1404) 3H-Indolium, 2-[5-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-, inner salt, trisodium salt (9CI) > (S1404) true $$$$ -ISIS- 11270914432D 46 48 0 0 0 0 0 0 0 0999 V2000 0.5792 -3.6292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3917 -3.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9250 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.1250 -0.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -2.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 -2.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8917 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6792 -1.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8250 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -6.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -1.2292 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 14 1 0 0 0 0 4 13 1 0 0 0 0 5 31 2 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 2 1 0 0 0 0 13 33 1 0 0 0 0 14 16 2 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 1 1 0 0 0 0 18 2 1 0 0 0 0 19 9 1 0 0 0 0 20 12 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 4 1 0 0 0 0 24 3 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 4 2 0 0 0 0 28 4 2 0 0 0 0 29 3 2 0 0 0 0 30 3 2 0 0 0 0 31 35 1 0 0 0 0 32 6 1 0 0 0 0 33 19 2 0 0 0 0 34 20 2 0 0 0 0 35 37 2 0 0 0 0 36 32 2 0 0 0 0 37 36 1 0 0 0 0 38 25 2 0 0 0 0 39 26 2 0 0 0 0 40 10 1 0 0 0 0 41 10 1 0 0 0 0 42 11 1 0 0 0 0 43 11 1 0 0 0 0 44 26 1 0 0 0 0 45 25 1 0 0 0 0 7 11 1 0 0 0 0 13 15 2 0 0 0 0 12 8 2 0 0 0 0 14 34 1 0 0 0 0 M CHG 4 1 1 23 -1 24 -1 46 1 M END > (S1405) S1405 > (S1405) sodium 1-(2-carboxyethyl)-2-{(1E,3E)-5-[1-(2-carboxyethyl)-3,3-dimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene]-1,3-pentadienyl}-3,3-dimethyl-3H-indolium-5-sulfonate > (S1405) none > (S1405) 246-248 ?C > (S1405) 652.0 > (S1405) HC; DY > (S1405) 3H-Indolium, 1-(2-carboxyethyl)-2-[5-[1-(2-carboxyethyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfo-, sodium salt (9CI) > (S1405) true $$$$ -ISIS- 11270914432D 42 44 0 0 0 0 0 0 0 0999 V2000 0.5792 -3.6292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6167 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -0.7667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.1250 -0.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.3917 -3.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -2.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 -2.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8917 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6792 -1.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8583 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -1.2292 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4750 -6.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -5.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 16 1 0 0 0 0 5 15 1 0 0 0 0 6 2 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 21 1 0 0 0 0 14 3 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 9 1 0 0 0 0 20 12 1 0 0 0 0 21 29 2 0 0 0 0 22 14 2 0 0 0 0 23 5 1 0 0 0 0 24 4 1 0 0 0 0 25 5 2 0 0 0 0 26 5 2 0 0 0 0 27 4 2 0 0 0 0 28 4 2 0 0 0 0 29 22 1 0 0 0 0 30 19 2 0 0 0 0 31 20 2 0 0 0 0 32 1 1 0 0 0 0 33 6 1 0 0 0 0 34 10 1 0 0 0 0 35 10 1 0 0 0 0 36 11 1 0 0 0 0 37 11 1 0 0 0 0 39 41 1 0 0 0 0 40 29 1 0 0 0 0 41 42 1 0 0 0 0 42 40 1 0 0 0 0 7 11 1 0 0 0 0 15 17 2 0 0 0 0 12 8 2 0 0 0 0 16 31 1 0 0 0 0 M CHG 4 1 1 23 -1 24 -1 38 1 M END > (S1406) S1406 > (S1406) sodium 2-[(1E,3E)-3-(3-hydroxypropyl)-5-(1,3,3-trimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium-5-sulfonate > (S1406) none > (S1406) HC; DY > (S1406) true $$$$ -ISIS- 11270914432D 54 60 0 0 0 0 0 0 0 0999 V2000 0.5750 -3.2917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8292 -3.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -6.2792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.4292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -2.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2375 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3167 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -7.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2542 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.1792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -7.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -7.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4292 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 12 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 15 1 0 0 0 0 13 5 1 0 0 0 0 14 18 2 0 0 0 0 15 17 2 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 3 2 0 0 0 0 20 6 1 0 0 0 0 21 7 1 0 0 0 0 22 9 1 0 0 0 0 23 8 2 0 0 0 0 24 7 1 0 0 0 0 25 7 2 0 0 0 0 26 7 2 0 0 0 0 27 1 1 0 0 0 0 28 20 1 0 0 0 0 29 19 1 0 0 0 0 30 22 2 0 0 0 0 31 29 2 0 0 0 0 32 21 1 0 0 0 0 33 21 2 0 0 0 0 34 14 1 0 0 0 0 35 2 1 0 0 0 0 36 10 1 0 0 0 0 37 10 1 0 0 0 0 38 11 1 0 0 0 0 39 11 1 0 0 0 0 40 32 2 0 0 0 0 41 33 1 0 0 0 0 42 41 2 0 0 0 0 43 18 1 0 0 0 0 44 47 1 0 0 0 0 45 20 2 0 0 0 0 46 19 1 0 0 0 0 47 43 1 0 0 0 0 48 28 2 0 0 0 0 49 29 1 0 0 0 0 50 42 1 0 0 0 0 51 45 1 0 0 0 0 52 46 2 0 0 0 0 53 51 2 0 0 0 0 54 52 1 0 0 0 0 8 11 1 0 0 0 0 31 23 1 0 0 0 0 54 49 2 0 0 0 0 44 17 1 0 0 0 0 6 9 2 0 0 0 0 30 28 1 0 0 0 0 48 53 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 2 1 1 24 -1 M END > (S1407) S1407 > (S1407) 2-((E)-2-{2-chloro-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-benzo[g]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-benzo[g]indolium 4-methylbenzenesulfonate > (S1407) 309967-80-4 > (S1407) 219-220 ?C > (S1407) 827.0 > (S1407) HC; DY > (S1407) 3H-Benz[g]indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-benz[g]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI) > (S1407) true $$$$ -ISIS- 11270914432D 48 52 0 0 0 0 0 0 0 0999 V2000 5.1875 -5.0167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6542 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 -5.0417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.4542 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9250 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6750 -3.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7917 -7.8792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -3.8667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0667 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -7.4792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.8000 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8042 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -8.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -8.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -6.3750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0917 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6292 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6917 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7542 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8625 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9542 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 15 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 9 3 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 12 1 1 0 0 0 0 13 10 2 0 0 0 0 14 12 1 0 0 0 0 15 17 1 0 0 0 0 16 3 1 0 0 0 0 17 11 2 0 0 0 0 18 16 2 0 0 0 0 19 8 1 0 0 0 0 20 13 1 0 0 0 0 21 10 1 0 0 0 0 22 28 1 0 0 0 0 23 5 1 0 0 0 0 24 8 2 0 0 0 0 25 8 2 0 0 0 0 26 8 2 0 0 0 0 27 1 1 0 0 0 0 28 21 1 0 0 0 0 29 20 1 0 0 0 0 30 20 2 0 0 0 0 31 23 2 0 0 0 0 32 4 1 0 0 0 0 33 6 1 0 0 0 0 34 7 1 0 0 0 0 35 7 1 0 0 0 0 36 9 1 0 0 0 0 37 9 1 0 0 0 0 38 39 2 0 0 0 0 39 30 1 0 0 0 0 40 29 2 0 0 0 0 41 12 2 0 0 0 0 42 14 2 0 0 0 0 43 38 1 0 0 0 0 44 33 1 0 0 0 0 45 28 1 0 0 0 0 46 43 1 0 0 0 0 47 41 1 0 0 0 0 48 47 2 0 0 0 0 14 9 1 0 0 0 0 48 42 1 0 0 0 0 22 11 1 0 0 0 0 38 40 1 0 0 0 0 6 5 2 0 0 0 0 31 44 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1408) S1408 > (S1408) 2-((E)-2-{2-(4-methoxyphenyl)-5-methyl-3-[(E)-2-(1,3,3-trimethyl-1,3,6,7-tetrahydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate > (S1408) none > (S1408) 752.0 > (S1408) HC; DY > (S1408) true $$$$ -ISIS- 11270914432D 51 55 0 0 0 0 0 0 0 0999 V2000 5.1875 -6.4167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6542 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 -6.4417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.4542 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6750 -5.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8417 -5.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4917 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -8.4417 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 8.8000 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8125 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -7.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0917 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -8.3792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -8.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -9.2667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -7.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.6292 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6917 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7542 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9542 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1167 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 17 1 0 0 0 0 11 1 1 0 0 0 0 12 10 2 0 0 0 0 13 11 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 9 2 0 0 0 0 17 15 2 0 0 0 0 19 12 1 0 0 0 0 20 24 1 0 0 0 0 21 10 1 0 0 0 0 22 5 1 0 0 0 0 23 1 1 0 0 0 0 24 21 1 0 0 0 0 25 19 1 0 0 0 0 26 19 2 0 0 0 0 27 18 1 0 0 0 0 28 18 1 0 0 0 0 29 18 1 0 0 0 0 30 18 1 0 0 0 0 31 22 2 0 0 0 0 32 4 1 0 0 0 0 33 6 1 0 0 0 0 34 7 1 0 0 0 0 35 7 1 0 0 0 0 36 8 1 0 0 0 0 37 8 1 0 0 0 0 38 39 2 0 0 0 0 39 26 1 0 0 0 0 40 25 2 0 0 0 0 41 11 2 0 0 0 0 42 13 2 0 0 0 0 43 38 1 0 0 0 0 44 33 1 0 0 0 0 45 24 1 0 0 0 0 46 43 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 41 1 0 0 0 0 50 49 2 0 0 0 0 51 48 1 0 0 0 0 13 8 1 0 0 0 0 50 42 1 0 0 0 0 20 9 1 0 0 0 0 38 40 1 0 0 0 0 6 5 2 0 0 0 0 31 44 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1409) S1409 > (S1409) 2-((E)-2-{2-(4-butoxyphenyl)-5-methyl-3-[(E)-2-(1,3,3-trimethyl-1,3,6,7-tetrahydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium tetrafluoroborate > (S1409) none > (S1409) 752.0 > (S1409) HC; DY > (S1409) true $$$$ -ISIS- 11270914432D 48 52 0 0 0 0 0 0 0 0999 V2000 2.0000 -3.6542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4792 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -3.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0917 -2.2875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0292 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9292 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -4.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -3.9917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3417 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -4.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -5.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 17 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 2 2 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 22 1 0 0 0 0 18 6 1 0 0 0 0 19 11 2 0 0 0 0 20 11 2 0 0 0 0 21 11 2 0 0 0 0 22 24 2 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 25 1 1 0 0 0 0 26 13 1 0 0 0 0 27 29 2 0 0 0 0 28 15 2 0 0 0 0 29 14 1 0 0 0 0 30 3 1 0 0 0 0 31 4 1 0 0 0 0 32 4 1 0 0 0 0 33 7 1 0 0 0 0 34 7 1 0 0 0 0 35 12 1 0 0 0 0 36 13 2 0 0 0 0 37 27 1 0 0 0 0 38 26 2 0 0 0 0 39 25 1 0 0 0 0 40 30 1 0 0 0 0 41 40 1 0 0 0 0 42 39 1 0 0 0 0 43 36 1 0 0 0 0 44 35 2 0 0 0 0 45 42 1 0 0 0 0 46 41 1 0 0 0 0 47 43 2 0 0 0 0 48 37 2 0 0 0 0 8 7 1 0 0 0 0 12 27 1 0 0 0 0 48 44 1 0 0 0 0 10 9 2 0 0 0 0 26 28 1 0 0 0 0 47 38 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1410) S1410 > (S1410) 3-butyl-2-[(1E,3E)-5-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1410) 121482-73-3 > (S1410) 156-158 ?C > (S1410) 679.0 > (S1410) HC; DY > (S1410) 1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadienyl]-1,1-dimethyl-, perchlorate (9CI); NC 22; NK 3219; OM 57 > (S1410) true $$$$ -ISIS- 11270914432D 49 53 0 0 0 0 0 0 0 0999 V2000 1.7792 -2.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -1.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8792 -0.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5042 -1.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7125 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 -2.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -2.4917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3083 -3.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.9750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 8 2 0 0 0 0 15 9 1 0 0 0 0 16 4 2 0 0 0 0 17 10 1 0 0 0 0 18 24 2 0 0 0 0 19 13 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 11 2 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 1 1 0 0 0 0 26 15 1 0 0 0 0 27 29 2 0 0 0 0 28 17 2 0 0 0 0 29 16 1 0 0 0 0 30 5 1 0 0 0 0 31 6 1 0 0 0 0 32 6 1 0 0 0 0 33 7 1 0 0 0 0 34 7 1 0 0 0 0 35 24 1 0 0 0 0 36 15 2 0 0 0 0 37 14 1 0 0 0 0 38 26 2 0 0 0 0 39 27 1 0 0 0 0 40 25 1 0 0 0 0 41 30 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 37 2 0 0 0 0 45 36 1 0 0 0 0 46 43 1 0 0 0 0 47 42 1 0 0 0 0 48 39 2 0 0 0 0 49 45 2 0 0 0 0 8 7 1 0 0 0 0 14 27 1 0 0 0 0 48 44 1 0 0 0 0 10 9 2 0 0 0 0 26 28 1 0 0 0 0 49 38 1 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1411) S1411 > (S1411) 3-butyl-2-[(1E,3Z)-5-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-3-chloro-1,3-pentadienyl]-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1411) 220002-93-7 > (S1411) 236-237 ?C > (S1411) 681.0 > (S1411) HC; DY > (S1411) 1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-3-chloro-1,3-pentadienyl]-1,1-dimethyl-, perchlorate (9CI) > (S1411) true $$$$ -ISIS- 11270914432D 68 76 0 0 0 0 0 0 0 0999 V2000 1.5792 -2.1625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0042 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -1.8875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5542 -0.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5792 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3792 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -5.1917 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.6417 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 16 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 2 2 0 0 0 0 15 10 1 0 0 0 0 16 22 1 0 0 0 0 17 6 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 24 2 0 0 0 0 23 17 2 0 0 0 0 24 23 1 0 0 0 0 25 1 1 0 0 0 0 26 12 1 0 0 0 0 27 29 2 0 0 0 0 28 15 2 0 0 0 0 29 14 1 0 0 0 0 30 3 1 0 0 0 0 31 4 1 0 0 0 0 32 4 1 0 0 0 0 33 7 1 0 0 0 0 34 7 1 0 0 0 0 35 12 2 0 0 0 0 36 13 1 0 0 0 0 37 21 2 0 0 0 0 38 21 1 0 0 0 0 39 18 2 0 0 0 0 40 18 1 0 0 0 0 41 20 2 0 0 0 0 42 20 1 0 0 0 0 43 19 2 0 0 0 0 44 19 1 0 0 0 0 45 27 1 0 0 0 0 46 26 2 0 0 0 0 47 25 1 0 0 0 0 48 30 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 36 2 0 0 0 0 52 35 1 0 0 0 0 53 50 1 0 0 0 0 54 49 1 0 0 0 0 55 38 2 0 0 0 0 56 41 1 0 0 0 0 57 42 2 0 0 0 0 58 39 1 0 0 0 0 59 40 2 0 0 0 0 60 43 1 0 0 0 0 61 44 2 0 0 0 0 62 37 1 0 0 0 0 63 52 2 0 0 0 0 64 45 2 0 0 0 0 65 55 1 0 0 0 0 66 61 1 0 0 0 0 67 59 1 0 0 0 0 68 57 1 0 0 0 0 8 7 1 0 0 0 0 13 27 1 0 0 0 0 64 51 1 0 0 0 0 10 9 2 0 0 0 0 26 28 1 0 0 0 0 63 46 1 0 0 0 0 65 62 2 0 0 0 0 68 56 2 0 0 0 0 66 60 2 0 0 0 0 67 58 2 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1414) S1414 > (S1414) 3-butyl-2-[(1E,3E)-5-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-1,1-dimethyl-1H-benzo[e]indolium tetraphenylborate > (S1414) none > (S1414) 95-97 ?C > (S1414) 681.0 > (S1414) HC; DY > (S1414) 1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadienyl]-1,1-dimethyl-, tetraphenylborate(-1) (9CI) > (S1414) true $$$$ -ISIS- 11270914432D 69 77 0 0 0 0 0 0 0 0999 V2000 3.0542 -1.5500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0625 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -1.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0292 -0.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6750 -0.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -4.5875 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 9.1167 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -2.3625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 18 1 0 0 0 0 12 3 1 0 0 0 0 14 9 1 0 0 0 0 15 8 2 0 0 0 0 16 4 2 0 0 0 0 17 10 1 0 0 0 0 18 20 2 0 0 0 0 19 12 2 0 0 0 0 20 19 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 1 1 0 0 0 0 26 14 1 0 0 0 0 27 29 2 0 0 0 0 28 17 2 0 0 0 0 29 16 1 0 0 0 0 30 5 1 0 0 0 0 31 6 1 0 0 0 0 32 6 1 0 0 0 0 33 7 1 0 0 0 0 34 7 1 0 0 0 0 35 20 1 0 0 0 0 36 15 1 0 0 0 0 37 14 2 0 0 0 0 38 24 2 0 0 0 0 39 24 1 0 0 0 0 40 21 2 0 0 0 0 41 21 1 0 0 0 0 42 23 2 0 0 0 0 43 23 1 0 0 0 0 44 22 2 0 0 0 0 45 22 1 0 0 0 0 46 26 2 0 0 0 0 47 27 1 0 0 0 0 48 25 1 0 0 0 0 49 30 1 0 0 0 0 50 49 1 0 0 0 0 51 48 1 0 0 0 0 52 37 1 0 0 0 0 53 36 2 0 0 0 0 54 51 1 0 0 0 0 55 50 1 0 0 0 0 56 39 2 0 0 0 0 57 42 1 0 0 0 0 58 43 2 0 0 0 0 59 40 1 0 0 0 0 60 41 2 0 0 0 0 61 44 1 0 0 0 0 62 45 2 0 0 0 0 63 38 1 0 0 0 0 64 47 2 0 0 0 0 65 52 2 0 0 0 0 66 56 1 0 0 0 0 67 62 1 0 0 0 0 68 60 1 0 0 0 0 69 58 1 0 0 0 0 8 7 1 0 0 0 0 15 27 1 0 0 0 0 64 53 1 0 0 0 0 10 9 2 0 0 0 0 26 28 1 0 0 0 0 65 46 1 0 0 0 0 66 63 2 0 0 0 0 69 57 2 0 0 0 0 67 61 2 0 0 0 0 68 59 2 0 0 0 0 M CHG 2 1 1 13 -1 M END > (S1415) S1415 > (S1415) 3-butyl-2-[(1E,3Z)-5-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-3-chloro-1,3-pentadienyl]-1,1-dimethyl-1H-benzo[e]indolium tetraphenylborate > (S1415) none > (S1415) 184-186 ?C > (S1415) 679.0 > (S1415) HC; DY > (S1415) 1H-Benz[e]indolium, 3-butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-3-chloro-1,3-pentadienyl]-1,1-dimethyl-, tetraphenylborate(1-) (9CI) > (S1415) true $$$$ -ISIS- 11270914432D 50 54 0 0 0 0 0 0 0 0999 V2000 1.4792 -3.2000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8792 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -2.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5167 -1.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4917 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2375 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -5.6792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.9625 -5.1417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7625 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -4.9542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7667 -5.9417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8125 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -6.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -5.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -4.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -6.1167 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.2042 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 19 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 35 1 0 0 0 0 12 34 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 2 2 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 26 1 0 0 0 0 20 6 1 0 0 0 0 21 11 2 0 0 0 0 22 11 2 0 0 0 0 23 12 2 0 0 0 0 24 12 2 0 0 0 0 25 1 1 0 0 0 0 26 28 2 0 0 0 0 27 20 2 0 0 0 0 28 27 1 0 0 0 0 29 31 2 0 0 0 0 30 14 1 0 0 0 0 31 15 1 0 0 0 0 32 16 2 0 0 0 0 33 3 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 36 25 1 0 0 0 0 37 33 1 0 0 0 0 38 4 1 0 0 0 0 39 4 1 0 0 0 0 40 7 1 0 0 0 0 41 7 1 0 0 0 0 43 14 2 0 0 0 0 44 13 1 0 0 0 0 45 29 1 0 0 0 0 46 30 2 0 0 0 0 47 44 2 0 0 0 0 48 43 1 0 0 0 0 49 48 2 0 0 0 0 50 45 2 0 0 0 0 8 7 1 0 0 0 0 13 29 1 0 0 0 0 50 47 1 0 0 0 0 10 9 2 0 0 0 0 30 32 1 0 0 0 0 49 46 1 0 0 0 0 M CHG 4 1 1 17 -1 18 -1 42 1 M END > (S1416) S1416 > (S1416) sodium 3-(2-{(E,2E,4E)-5-[1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-2-yl]-2,4-pentadienylidene}-1,1-dimethyl-1H-benzo[e]indol-3-yl)-1-propanesulfonate > (S1416) 138248-55-2 > (S1416) 235-237 ?C > (S1416) 679.0 > (S1416) HC; DY > (S1416) 1H-Benz[e]indolium, 2-[5-[1,3-dihydro-1,1-dimethyl-3-(3-sulfopropyl)-2H-benz[e]indol-2-ylidene]-1,3-pentadienyl]-1,1-dimethyl-3-(3-sulfopropyl)-, inner salt, sodium salt (9CI) > (S1416) true $$$$ -ISIS- 11270914432D 57 61 0 0 0 0 0 0 0 0999 V2000 0.8917 -2.7000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3000 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -2.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9375 -1.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9125 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6542 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -5.1792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.3792 -4.6417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.1875 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -4.4625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1792 -5.4417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2292 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -4.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -5.3792 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 0.8917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2417 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -4.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 19 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 2 2 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 27 1 0 0 0 0 20 6 1 0 0 0 0 21 11 2 0 0 0 0 22 11 2 0 0 0 0 23 12 2 0 0 0 0 24 12 2 0 0 0 0 26 1 1 0 0 0 0 27 29 2 0 0 0 0 28 20 2 0 0 0 0 29 28 1 0 0 0 0 30 14 1 0 0 0 0 31 33 2 0 0 0 0 32 16 2 0 0 0 0 33 15 1 0 0 0 0 34 3 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 26 1 0 0 0 0 38 34 1 0 0 0 0 39 4 1 0 0 0 0 40 4 1 0 0 0 0 41 7 1 0 0 0 0 42 7 1 0 0 0 0 43 25 1 0 0 0 0 44 25 1 0 0 0 0 45 25 1 0 0 0 0 46 13 1 0 0 0 0 47 14 2 0 0 0 0 48 30 2 0 0 0 0 49 31 1 0 0 0 0 50 45 1 0 0 0 0 51 44 1 0 0 0 0 52 43 1 0 0 0 0 53 46 2 0 0 0 0 54 47 1 0 0 0 0 55 54 2 0 0 0 0 56 49 2 0 0 0 0 57 25 1 0 0 0 0 8 7 1 0 0 0 0 31 13 1 0 0 0 0 56 53 1 0 0 0 0 10 9 2 0 0 0 0 30 32 1 0 0 0 0 55 48 1 0 0 0 0 M CHG 4 1 1 17 -1 18 -1 25 1 M END > (S1417) S1417 > (S1417) N,N-diethyl-1-ethanaminium 3-(2-{(E,2E,4E)-5-[1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-2-yl]-2,4-pentadienylidene}-1,1-dimethyl-1H-benzo[e]indol-3-yl)-1-propanesulfonate > (S1417) none > (S1417) 188-190 ?C > (S1417) 643.0 > (S1417) HC; DY > (S1417) 1H-Benz[e]indolium, 2-[5-[1,3-dihydro-1,1-dimethyl-3-(3-sulfopropyl)-2H-benz[e]indol-2-ylidene]-1,3-pentadienyl]-1,1-dimethyl-3-(3-sulfopropyl)-, inner salt, triethylammonium salt (9CI) > (S1417) true $$$$ -ISIS- 11270914432D 52 56 0 0 0 0 0 0 0 0999 V2000 3.9792 -4.2250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9375 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -3.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8917 -2.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5250 -3.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7125 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -6.9125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -6.2292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6542 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2625 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -6.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 24 2 0 0 0 0 19 13 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 11 2 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 1 1 0 0 0 0 26 28 1 0 0 0 0 27 14 1 0 0 0 0 28 16 2 0 0 0 0 29 17 2 0 0 0 0 30 5 1 0 0 0 0 31 6 1 0 0 0 0 32 6 1 0 0 0 0 33 7 1 0 0 0 0 34 7 1 0 0 0 0 35 14 2 0 0 0 0 36 15 2 0 0 0 0 37 41 1 0 0 0 0 38 24 1 0 0 0 0 39 26 2 0 0 0 0 40 27 2 0 0 0 0 41 44 1 0 0 0 0 42 25 1 0 0 0 0 43 30 1 0 0 0 0 44 38 1 0 0 0 0 45 43 1 0 0 0 0 46 42 1 0 0 0 0 47 36 1 0 0 0 0 48 35 1 0 0 0 0 49 45 1 0 0 0 0 50 46 1 0 0 0 0 51 48 2 0 0 0 0 52 39 1 0 0 0 0 8 7 1 0 0 0 0 15 26 1 0 0 0 0 52 47 2 0 0 0 0 10 9 2 0 0 0 0 27 29 1 0 0 0 0 51 40 1 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1423) S1423 > (S1423) 3-butyl-2-[(1E,3E)-5-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-3-(3-hydroxypropyl)-1,3-pentadienyl]-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1423) none > (S1423) 215-216 ?C > (S1423) 677.0 > (S1423) HC; DY > (S1423) true $$$$ -ISIS- 11270914432D 51 55 0 0 0 0 0 0 0 0999 V2000 4.4167 -3.7750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3792 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -3.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.3292 -2.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9625 -2.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1542 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -6.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4375 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -5.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0917 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -6.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1875 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7042 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -7.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -6.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4625 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 24 2 0 0 0 0 19 13 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 11 2 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 37 1 0 0 0 0 26 1 1 0 0 0 0 27 14 1 0 0 0 0 28 30 1 0 0 0 0 29 17 2 0 0 0 0 30 16 2 0 0 0 0 31 25 2 0 0 0 0 32 5 1 0 0 0 0 33 6 1 0 0 0 0 34 6 1 0 0 0 0 35 7 1 0 0 0 0 36 7 1 0 0 0 0 37 44 1 0 0 0 0 38 15 2 0 0 0 0 39 14 2 0 0 0 0 40 25 1 0 0 0 0 41 24 1 0 0 0 0 42 27 2 0 0 0 0 43 28 2 0 0 0 0 44 47 1 0 0 0 0 45 26 1 0 0 0 0 46 32 1 0 0 0 0 47 41 1 0 0 0 0 48 39 1 0 0 0 0 49 38 1 0 0 0 0 50 43 1 0 0 0 0 51 48 2 0 0 0 0 8 7 1 0 0 0 0 15 28 1 0 0 0 0 50 49 2 0 0 0 0 10 9 2 0 0 0 0 27 29 1 0 0 0 0 51 42 1 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1424) S1424 > (S1424) 2-[(1E,3E)-3-[3-(acetyloxy)propyl]-5-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-3-ethyl-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1424) none > (S1424) 215-216 ?C > (S1424) 673.0 > (S1424) HC; DY > (S1424) true $$$$ -ISIS- 11270914432D 48 52 0 0 0 0 0 0 0 0999 V2000 3.9792 -4.2250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9417 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -3.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.8917 -2.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5250 -3.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7167 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -6.9167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -6.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6542 -7.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -7.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -6.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 24 2 0 0 0 0 19 13 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 11 2 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 1 1 0 0 0 0 26 28 1 0 0 0 0 27 14 1 0 0 0 0 28 16 2 0 0 0 0 29 17 2 0 0 0 0 30 5 1 0 0 0 0 31 6 1 0 0 0 0 32 6 1 0 0 0 0 33 7 1 0 0 0 0 34 7 1 0 0 0 0 35 14 2 0 0 0 0 36 15 2 0 0 0 0 37 41 1 0 0 0 0 38 24 1 0 0 0 0 39 26 2 0 0 0 0 40 27 2 0 0 0 0 41 44 1 0 0 0 0 42 25 1 0 0 0 0 43 30 1 0 0 0 0 44 38 1 0 0 0 0 45 36 1 0 0 0 0 46 35 1 0 0 0 0 47 46 2 0 0 0 0 48 39 1 0 0 0 0 8 7 1 0 0 0 0 15 26 1 0 0 0 0 48 45 2 0 0 0 0 10 9 2 0 0 0 0 27 29 1 0 0 0 0 47 40 1 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1425) S1425 > (S1425) 3-ethyl-2-[(1E,3E)-5-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-3-(3-hydroxypropyl)-1,3-pentadienyl]-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1425) none > (S1425) 144-145 ?C > (S1425) 673.0 > (S1425) HC; DY > (S1425) true $$$$ -ISIS- 11270914432D 44 48 0 0 0 0 0 0 0 0999 V2000 1.5542 -1.7750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6542 -2.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.7042 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.8167 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -3.7750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -4.5292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -2.8875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 1.4500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 0.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 16 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 3 2 0 0 0 0 15 6 2 0 0 0 0 16 22 1 0 0 0 0 17 5 1 0 0 0 0 18 13 1 0 0 0 0 19 21 2 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 24 2 0 0 0 0 23 17 2 0 0 0 0 24 23 1 0 0 0 0 25 1 1 0 0 0 0 26 11 1 0 0 0 0 27 11 1 0 0 0 0 28 11 1 0 0 0 0 29 11 1 0 0 0 0 30 2 1 0 0 0 0 31 9 1 0 0 0 0 32 10 1 0 0 0 0 33 19 1 0 0 0 0 34 18 1 0 0 0 0 35 37 1 0 0 0 0 36 12 2 0 0 0 0 37 31 2 0 0 0 0 38 32 2 0 0 0 0 39 25 1 0 0 0 0 40 30 1 0 0 0 0 41 40 1 0 0 0 0 42 39 1 0 0 0 0 43 41 1 0 0 0 0 44 42 1 0 0 0 0 10 7 2 0 0 0 0 36 38 1 0 0 0 0 19 12 1 0 0 0 0 8 6 1 0 0 0 0 13 35 2 0 0 0 0 20 18 2 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1426) S1426 > (S1426) 1-butyl-2-{(1E,3E)-5-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]-1,3-pentadienyl}-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1426) none > (S1426) 279-280 ?C > (S1426) 882.0 > (S1426) HC; DY > (S1426) true $$$$ -ISIS- 11270914432D 43 47 0 0 0 0 0 0 0 0999 V2000 5.4125 -4.4042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7542 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -4.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -4.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1292 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0417 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8167 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6042 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0125 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -6.3375 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 9.3292 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -6.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -6.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -7.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -5.5167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7042 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8667 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -5.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1125 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3042 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 14 1 0 0 0 0 12 3 1 0 0 0 0 14 16 2 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 17 1 1 0 0 0 0 18 9 1 0 0 0 0 19 10 1 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 4 1 0 0 0 0 25 5 2 0 0 0 0 26 6 2 0 0 0 0 27 7 1 0 0 0 0 28 8 1 0 0 0 0 29 16 1 0 0 0 0 30 28 2 0 0 0 0 31 25 1 0 0 0 0 32 26 1 0 0 0 0 33 27 2 0 0 0 0 34 18 2 0 0 0 0 35 19 1 0 0 0 0 36 33 1 0 0 0 0 37 31 2 0 0 0 0 38 17 1 0 0 0 0 39 24 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 8 9 2 0 0 0 0 37 18 1 0 0 0 0 34 30 1 0 0 0 0 10 6 1 0 0 0 0 19 36 2 0 0 0 0 32 35 2 0 0 0 0 M CHG 2 1 1 13 -1 M END > (S1427) S1427 > (S1427) 1-butyl-2-{(1E,3Z)-5-[1-butylbenzo[cd]indol-2(1H)-ylidene]-3-chloro-1,3-pentadienyl}benzo[cd]indolium tetrafluoroborate > (S1427) none > (S1427) 274-276 ?C > (S1427) 855.0 > (S1427) HC; DY > (S1427) true $$$$ -ISIS- 11270914432D 43 47 0 0 0 0 0 0 0 0999 V2000 6.4542 -3.6417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3792 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -4.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1792 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6625 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -4.0167 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 6.7167 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4917 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -4.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -3.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -3.9542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -4.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4167 -0.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 16 1 0 0 0 0 12 3 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 12 2 0 0 0 0 17 5 2 0 0 0 0 18 6 2 0 0 0 0 19 21 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 1 1 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 4 1 0 0 0 0 29 9 1 0 0 0 0 30 10 1 0 0 0 0 31 20 1 0 0 0 0 32 19 1 0 0 0 0 33 14 2 0 0 0 0 34 36 1 0 0 0 0 35 30 2 0 0 0 0 36 29 2 0 0 0 0 37 16 1 0 0 0 0 38 23 1 0 0 0 0 39 28 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 10 7 2 0 0 0 0 19 14 1 0 0 0 0 33 35 1 0 0 0 0 8 6 1 0 0 0 0 15 34 2 0 0 0 0 22 20 2 0 0 0 0 M CHG 2 1 1 13 -1 M END > (S1428) S1428 > (S1428) 1-butyl-2-{(E)-3-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]-2-methyl-1-propenyl}-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1428) none > (S1428) >280 ?C > (S1428) 780.0 > (S1428) HC; DY > (S1428) true $$$$ -ISIS- 11270914432D 49 54 0 0 0 0 0 0 0 0999 V2000 2.5417 -4.7750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0000 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -4.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0667 -3.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 -3.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0792 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5125 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -6.6625 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 9.9417 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7167 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0417 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 17 1 0 0 0 0 12 3 1 0 0 0 0 13 8 2 0 0 0 0 14 9 1 0 0 0 0 15 4 2 0 0 0 0 16 10 1 0 0 0 0 17 21 2 0 0 0 0 18 12 2 0 0 0 0 19 20 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 35 1 0 0 0 0 23 1 1 0 0 0 0 24 26 2 0 0 0 0 25 14 1 0 0 0 0 26 15 1 0 0 0 0 27 16 2 0 0 0 0 29 5 1 0 0 0 0 30 6 1 0 0 0 0 31 6 1 0 0 0 0 32 7 1 0 0 0 0 33 7 1 0 0 0 0 34 22 1 0 0 0 0 35 20 1 0 0 0 0 36 13 1 0 0 0 0 37 14 2 0 0 0 0 38 25 2 0 0 0 0 39 24 1 0 0 0 0 40 23 1 0 0 0 0 41 29 1 0 0 0 0 42 41 1 0 0 0 0 43 40 1 0 0 0 0 44 37 1 0 0 0 0 45 36 2 0 0 0 0 46 42 1 0 0 0 0 47 43 1 0 0 0 0 48 44 2 0 0 0 0 49 39 2 0 0 0 0 8 7 1 0 0 0 0 24 13 1 0 0 0 0 49 45 1 0 0 0 0 21 34 1 0 0 0 0 10 9 2 0 0 0 0 25 27 1 0 0 0 0 48 38 1 0 0 0 0 M CHG 2 1 1 28 -1 M END > (S1429) S1429 > (S1429) 3-butyl-2-{(E)-2-[5-[(Z)-2-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-2H-pyran-3(6H)-yl]ethenyl}-1,1-dimethyl-1H-benzo[e]indolium iodide > (S1429) none > (S1429) 177-179 ?C > (S1429) 788.0 > (S1429) HC; DY > (S1429) true $$$$ -ISIS- 11270914432D 36 39 0 0 0 0 0 0 0 0999 V2000 2.6250 -4.6750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0792 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -4.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3667 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -3.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2667 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0542 -4.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9500 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -6.6792 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.4750 -5.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -3.4167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1667 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 14 1 0 0 0 0 12 4 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 18 5 1 0 0 0 0 20 1 1 0 0 0 0 21 13 1 0 0 0 0 22 18 2 0 0 0 0 23 3 1 0 0 0 0 24 6 1 0 0 0 0 25 7 1 0 0 0 0 26 7 1 0 0 0 0 27 8 1 0 0 0 0 28 8 1 0 0 0 0 29 9 2 0 0 0 0 30 10 2 0 0 0 0 31 33 1 0 0 0 0 32 16 1 0 0 0 0 33 32 1 0 0 0 0 34 24 1 0 0 0 0 35 29 1 0 0 0 0 36 35 2 0 0 0 0 10 8 1 0 0 0 0 36 30 1 0 0 0 0 17 31 1 0 0 0 0 5 6 2 0 0 0 0 34 22 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1430) S1430 > (S1430) 2-((E)-2-{2-chloro-3-[(E)-2-(1,3,3-trimethyl-1,3,4,5-tetrahydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium iodide > (S1430) none > (S1430) 776.0 > (S1430) HC; DY > (S1430) true $$$$ -ISIS- 11270914432D 68 74 0 0 0 0 0 0 0 0999 V2000 2.6375 -4.9125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0917 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -4.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1625 -3.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 -3.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4667 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -7.0875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 11.8042 -6.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 8.3917 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -6.3042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.5667 -7.6042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0542 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -7.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2917 -6.8125 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 2.4875 -5.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1750 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6042 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -6.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8292 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0667 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9875 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5667 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7167 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4917 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1000 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5292 -6.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 14 3 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 8 2 0 0 0 0 21 9 1 0 0 0 0 22 4 2 0 0 0 0 23 10 1 0 0 0 0 24 11 1 0 0 0 0 25 12 1 0 0 0 0 26 11 2 0 0 0 0 27 11 2 0 0 0 0 28 12 2 0 0 0 0 29 12 2 0 0 0 0 31 1 1 0 0 0 0 32 15 1 0 0 0 0 33 21 2 0 0 0 0 34 35 2 0 0 0 0 35 22 1 0 0 0 0 36 23 2 0 0 0 0 37 5 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 31 1 0 0 0 0 41 37 1 0 0 0 0 42 6 1 0 0 0 0 43 6 1 0 0 0 0 44 7 1 0 0 0 0 45 7 1 0 0 0 0 46 17 1 0 0 0 0 47 53 1 0 0 0 0 48 30 1 0 0 0 0 49 30 1 0 0 0 0 50 30 1 0 0 0 0 51 20 1 0 0 0 0 52 21 1 0 0 0 0 53 46 1 0 0 0 0 54 32 2 0 0 0 0 55 32 1 0 0 0 0 56 33 1 0 0 0 0 57 34 1 0 0 0 0 58 49 1 0 0 0 0 59 50 1 0 0 0 0 60 48 1 0 0 0 0 61 51 2 0 0 0 0 62 52 2 0 0 0 0 63 54 1 0 0 0 0 64 55 2 0 0 0 0 65 62 1 0 0 0 0 66 57 2 0 0 0 0 67 64 1 0 0 0 0 68 30 1 0 0 0 0 8 7 1 0 0 0 0 34 20 1 0 0 0 0 66 61 1 0 0 0 0 18 47 1 0 0 0 0 67 63 2 0 0 0 0 10 9 2 0 0 0 0 33 36 1 0 0 0 0 65 56 2 0 0 0 0 M CHG 4 1 1 24 -1 25 -1 30 1 M END > (S1431) S1431 > (S1431) N,N-diethyl-1-ethanaminium 3-{2-[(E)-2-(3-{(E)-2-[1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-2-yl]ethenyl}-2-phenyl-2-cyclohexen-1-ylidene)ethylidene]-1,1-dimethyl-1H-benzo[e]indol-3-yl}-1 -propanesulfonate > (S1431) none > (S1431) 249-250 ?C > (S1431) 798.0 > (S1431) HC; DY > (S1431) true $$$$ -ISIS- 11270914432D 48 52 0 0 0 0 0 0 0 0999 V2000 2.5917 -5.0917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0667 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -5.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0667 -3.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2542 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9167 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -7.6417 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 6.2042 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -6.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4917 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -7.5875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -7.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -8.4750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -6.8292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 10 1 0 0 0 0 8 17 1 0 0 0 0 9 1 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 5 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 7 2 0 0 0 0 17 15 2 0 0 0 0 19 10 1 0 0 0 0 20 23 1 0 0 0 0 21 8 1 0 0 0 0 22 1 1 0 0 0 0 23 21 1 0 0 0 0 24 19 1 0 0 0 0 25 19 2 0 0 0 0 26 18 1 0 0 0 0 27 18 1 0 0 0 0 28 18 1 0 0 0 0 29 18 1 0 0 0 0 30 4 1 0 0 0 0 31 5 1 0 0 0 0 32 5 1 0 0 0 0 33 6 1 0 0 0 0 34 6 1 0 0 0 0 35 36 2 0 0 0 0 36 25 1 0 0 0 0 37 24 2 0 0 0 0 38 9 2 0 0 0 0 39 11 1 0 0 0 0 40 13 1 0 0 0 0 41 12 2 0 0 0 0 42 35 1 0 0 0 0 43 23 1 0 0 0 0 44 42 1 0 0 0 0 45 47 2 0 0 0 0 46 39 2 0 0 0 0 47 38 1 0 0 0 0 48 40 2 0 0 0 0 12 6 1 0 0 0 0 45 41 1 0 0 0 0 20 7 1 0 0 0 0 35 37 1 0 0 0 0 11 13 2 0 0 0 0 48 46 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1432) S1432 > (S1432) 2-((E)-2-{2-(4-methoxyphenyl)-5-methyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium tetrafluoroborate > (S1432) none > (S1432) 768.0 > (S1432) HC; DY > (S1432) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 4.0542 -4.0500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6625 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -3.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7250 -2.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -2.8750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -5.1167 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 3.9042 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2292 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 15 1 1 0 0 0 0 16 4 1 0 0 0 0 17 7 2 0 0 0 0 18 8 1 0 0 0 0 19 10 1 0 0 0 0 20 9 2 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 18 2 0 0 0 0 25 23 2 0 0 0 0 26 19 2 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 9 6 1 0 0 0 0 25 20 1 0 0 0 0 8 10 2 0 0 0 0 26 24 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1433) S1433 > (S1433) 3-propyl-2-{(E)-3-[3-propyl-1,3-benzothiazol-2(3H)-ylidene]-1-propenyl}-1,3-benzothiazol-3-ium iodide > (S1433) 53336-12-2 > (S1433) 559.0 > (S1433) HC; DY > (S1433) Benzothiazolium, 3-propyl-2-[3-(3-propyl-2(3H)-benzothiazolylidene)-1-propenyl]-, iodide (9CI); 3-Propyl-2-[3-(3-propyl-2-benzothiazolinylidene)propenyl]benzothiazolium iodide (7CI); DiS-C3(3) > (S1433) true $$$$ -ISIS- 11270914432D 34 36 0 0 0 0 0 0 0 0999 V2000 3.3417 -4.0542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.1292 -3.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3667 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -2.7750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9792 -2.8875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7750 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -5.0542 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 9.3167 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 11 2 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 16 1 1 0 0 0 0 18 2 1 0 0 0 0 19 5 1 0 0 0 0 20 5 1 0 0 0 0 21 6 1 0 0 0 0 22 6 1 0 0 0 0 23 7 2 0 0 0 0 24 8 1 0 0 0 0 25 9 2 0 0 0 0 26 10 1 0 0 0 0 27 16 1 0 0 0 0 28 18 1 0 0 0 0 29 30 2 0 0 0 0 30 23 1 0 0 0 0 31 24 2 0 0 0 0 32 26 2 0 0 0 0 33 28 1 0 0 0 0 34 27 1 0 0 0 0 9 6 1 0 0 0 0 29 25 1 0 0 0 0 8 10 2 0 0 0 0 32 31 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1435) S1435 > (S1435) 2-[(1E,3E)-5-(3,3-dimethyl-1-propyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-3H-indolium iodide > (S1435) 53213-98-2 > (S1435) 646.0 > (S1435) HC; DY > (S1435) 3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-propyl-, iodide (9CI) > (S1435) true $$$$ -ISIS- 11270914432D 51 57 0 0 0 0 0 0 0 0999 V2000 6.4500 -4.2542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5000 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -6.6792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 12.2292 -4.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9292 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 -3.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -3.1375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8125 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6292 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -7.4000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1000 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -2.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0042 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0792 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3542 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0417 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9000 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1250 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8167 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2667 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 14 1 0 0 0 0 13 3 1 0 0 0 0 14 16 2 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 17 6 2 0 0 0 0 18 9 1 0 0 0 0 19 4 1 0 0 0 0 20 4 1 0 0 0 0 21 4 2 0 0 0 0 22 4 2 0 0 0 0 23 26 1 0 0 0 0 24 10 2 0 0 0 0 25 11 1 0 0 0 0 26 15 1 0 0 0 0 27 23 1 0 0 0 0 28 17 1 0 0 0 0 29 18 2 0 0 0 0 30 1 1 0 0 0 0 31 28 2 0 0 0 0 32 25 2 0 0 0 0 33 19 1 0 0 0 0 34 19 2 0 0 0 0 35 5 1 0 0 0 0 36 33 2 0 0 0 0 37 34 1 0 0 0 0 38 37 2 0 0 0 0 39 17 1 0 0 0 0 40 18 1 0 0 0 0 41 23 1 0 0 0 0 42 23 1 0 0 0 0 43 28 1 0 0 0 0 44 29 1 0 0 0 0 45 38 1 0 0 0 0 46 30 1 0 0 0 0 47 35 1 0 0 0 0 48 39 2 0 0 0 0 49 40 2 0 0 0 0 50 48 1 0 0 0 0 51 49 1 0 0 0 0 10 8 1 0 0 0 0 31 24 1 0 0 0 0 50 43 2 0 0 0 0 27 14 1 0 0 0 0 9 11 2 0 0 0 0 32 29 1 0 0 0 0 44 51 2 0 0 0 0 36 38 1 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1438) S1438 > (S1438) 1-ethyl-2-[(3-{[1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl]naphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzenesulfonate > (S1438) 361483-43-4 > (S1438) 682.0 > (S1438) HC; DY > (S1438) Naphtho[1,2-d]thiazolium, 1-ethyl-2-[[3-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI) > (S1438) true $$$$ -ISIS- 11270914432D 35 38 0 0 0 0 0 0 0 0999 V2000 2.5375 -4.3500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3042 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -4.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2542 -3.2250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 -3.5417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -2.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5917 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -5.9292 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.3208 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 15 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 18 14 1 0 0 0 0 19 10 1 0 0 0 0 20 16 1 0 0 0 0 22 1 1 0 0 0 0 23 4 1 0 0 0 0 24 7 2 0 0 0 0 25 9 1 0 0 0 0 26 12 1 0 0 0 0 27 11 2 0 0 0 0 28 16 1 0 0 0 0 29 16 1 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 33 25 2 0 0 0 0 34 32 2 0 0 0 0 35 26 2 0 0 0 0 11 5 1 0 0 0 0 34 27 1 0 0 0 0 20 14 1 0 0 0 0 9 12 2 0 0 0 0 35 33 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1439) S1439 > (S1439) 3-ethyl-2-[(3-{(E)-3-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1-propenyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide > (S1439) 83846-69-9 > (S1439) 764.0 > (S1439) HC; DY > (S1439) Benzothiazolium, 3-ethyl-2-[3-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-, iodide (9CI); 3-Ethyl-2-[[3-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]benzothiazolium iodide (6CI); DNTTCI; LC 8850 > (S1439) true $$$$ -ISIS- 11270914432D 48 53 0 0 0 0 0 0 0 0999 V2000 -1.0583 -3.6625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3792 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -3.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3917 -2.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4458 -2.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2458 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 -4.7000 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.9542 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -2.4500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -4.6417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -4.7667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -5.5292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 -3.8792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 15 17 2 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 9 1 0 0 0 0 20 8 2 0 0 0 0 21 4 2 0 0 0 0 22 10 1 0 0 0 0 23 19 1 0 0 0 0 24 26 2 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 1 1 0 0 0 0 28 13 1 0 0 0 0 29 14 1 0 0 0 0 30 14 1 0 0 0 0 31 14 1 0 0 0 0 32 14 1 0 0 0 0 33 5 1 0 0 0 0 34 6 1 0 0 0 0 35 6 1 0 0 0 0 36 7 1 0 0 0 0 37 7 1 0 0 0 0 38 18 1 0 0 0 0 39 42 1 0 0 0 0 40 19 2 0 0 0 0 41 20 1 0 0 0 0 42 38 1 0 0 0 0 43 24 1 0 0 0 0 44 23 2 0 0 0 0 45 41 2 0 0 0 0 46 40 1 0 0 0 0 47 46 2 0 0 0 0 48 43 2 0 0 0 0 8 7 1 0 0 0 0 24 20 1 0 0 0 0 48 45 1 0 0 0 0 39 17 1 0 0 0 0 10 9 2 0 0 0 0 23 25 1 0 0 0 0 47 44 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1441) S1441 > (S1441) 2-((E)-2-{2-chloro-3-[(E)-2-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,1,3-trimethyl-1H-benzo[e]indolium tetrafluoroborate > (S1441) none > (S1441) 196-197 ?C > (S1441) 813.0 > (S1441) HC; DY > (S1441) 1H-Benz[e]indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, tetrafluoroborate(1-) (9CI) > (S1441) true $$$$ -ISIS- 11270914432D 58 64 0 0 0 0 0 0 0 0999 V2000 -0.6500 -1.7542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7417 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -1.3375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9000 -0.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1333 -0.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9500 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -3.6292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -3.2292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8958 -4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -4.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 18 1 0 0 0 0 17 15 2 0 0 0 0 18 13 2 0 0 0 0 19 9 1 0 0 0 0 20 8 2 0 0 0 0 21 4 2 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 11 2 0 0 0 0 25 11 2 0 0 0 0 26 11 2 0 0 0 0 27 14 1 0 0 0 0 28 29 1 0 0 0 0 29 16 1 0 0 0 0 30 1 1 0 0 0 0 31 19 1 0 0 0 0 32 33 2 0 0 0 0 33 21 1 0 0 0 0 34 22 2 0 0 0 0 35 5 1 0 0 0 0 36 6 1 0 0 0 0 37 6 1 0 0 0 0 38 7 1 0 0 0 0 39 7 1 0 0 0 0 40 20 1 0 0 0 0 41 19 2 0 0 0 0 42 27 1 0 0 0 0 43 27 2 0 0 0 0 44 32 1 0 0 0 0 45 31 2 0 0 0 0 46 30 1 0 0 0 0 47 35 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 50 41 1 0 0 0 0 51 40 2 0 0 0 0 52 48 1 0 0 0 0 53 49 1 0 0 0 0 54 43 1 0 0 0 0 55 42 2 0 0 0 0 56 44 2 0 0 0 0 57 50 2 0 0 0 0 58 54 2 0 0 0 0 8 7 1 0 0 0 0 20 32 1 0 0 0 0 56 51 1 0 0 0 0 15 28 1 0 0 0 0 58 55 1 0 0 0 0 10 9 2 0 0 0 0 31 34 1 0 0 0 0 57 45 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1442) S1442 > (S1442) 3-butyl-2-((E)-2-{3-[(E)-2-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl}ethenyl)-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1442) none > (S1442) HC; DY > (S1442) true $$$$ -ISIS- 11270914432D 59 65 0 0 0 0 0 0 0 0999 V2000 -0.7625 -0.2125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7042 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -0.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7792 0.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 0.8583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7708 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -2.3667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -1.9625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1250 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 12 15 1 0 0 0 0 13 3 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 9 1 0 0 0 0 20 8 2 0 0 0 0 21 4 2 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 11 2 0 0 0 0 25 11 2 0 0 0 0 26 11 2 0 0 0 0 27 14 1 0 0 0 0 28 1 1 0 0 0 0 29 19 1 0 0 0 0 30 31 2 0 0 0 0 31 21 1 0 0 0 0 32 22 2 0 0 0 0 33 5 1 0 0 0 0 34 6 1 0 0 0 0 35 6 1 0 0 0 0 36 7 1 0 0 0 0 37 7 1 0 0 0 0 38 42 1 0 0 0 0 39 17 1 0 0 0 0 40 20 1 0 0 0 0 41 19 2 0 0 0 0 42 39 1 0 0 0 0 43 27 1 0 0 0 0 44 27 2 0 0 0 0 45 29 2 0 0 0 0 46 30 1 0 0 0 0 47 28 1 0 0 0 0 48 33 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 40 2 0 0 0 0 52 41 1 0 0 0 0 53 49 1 0 0 0 0 54 50 1 0 0 0 0 55 44 1 0 0 0 0 56 43 2 0 0 0 0 57 52 2 0 0 0 0 58 46 2 0 0 0 0 59 55 2 0 0 0 0 8 7 1 0 0 0 0 20 30 1 0 0 0 0 58 51 1 0 0 0 0 38 18 1 0 0 0 0 59 56 1 0 0 0 0 10 9 2 0 0 0 0 29 32 1 0 0 0 0 57 45 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1443) S1443 > (S1443) 2-((E)-2-{2-chloro-3-[(E)-2-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate > (S1443) none > (S1443) 215-216 ?C > (S1443) 800.0 > (S1443) HC; DY > (S1443) 1H-Benz[e]indolium, 3-(5-carboxypentyl)-2-[2-[3-[[3-(5-carboxypentyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]ethylidene]-2-[4-(dimethylamino)phenyl]-1-cyclohexen-1-yl]ethenyl]-1,1-dimethyl perchlorate(9CI) > (S1443) true $$$$ -ISIS- 11270914432D 58 64 0 0 0 0 0 0 0 0999 V2000 -1.1833 -0.6292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5417 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -0.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6125 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -3.3667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -1.3833 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9917 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -3.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -3.4375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -4.1958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -2.5500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 2.3333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 2.6083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2125 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 13 12 2 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 11 2 0 0 0 0 17 15 2 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 5 2 0 0 0 0 22 6 1 0 0 0 0 23 13 1 0 0 0 0 24 31 1 0 0 0 0 25 12 1 0 0 0 0 26 20 2 0 0 0 0 27 29 2 0 0 0 0 28 22 2 0 0 0 0 29 21 1 0 0 0 0 30 1 1 0 0 0 0 31 25 1 0 0 0 0 32 23 1 0 0 0 0 33 23 2 0 0 0 0 34 18 1 0 0 0 0 35 18 1 0 0 0 0 36 18 1 0 0 0 0 37 18 1 0 0 0 0 38 4 1 0 0 0 0 39 9 2 0 0 0 0 40 10 1 0 0 0 0 41 27 1 0 0 0 0 42 26 1 0 0 0 0 43 44 2 0 0 0 0 44 33 1 0 0 0 0 45 32 2 0 0 0 0 46 49 2 0 0 0 0 47 19 2 0 0 0 0 48 43 1 0 0 0 0 49 39 1 0 0 0 0 50 40 2 0 0 0 0 51 31 1 0 0 0 0 52 30 1 0 0 0 0 53 48 1 0 0 0 0 54 38 1 0 0 0 0 55 54 1 0 0 0 0 56 52 1 0 0 0 0 57 55 1 0 0 0 0 58 56 1 0 0 0 0 10 7 2 0 0 0 0 27 19 1 0 0 0 0 47 50 1 0 0 0 0 24 11 1 0 0 0 0 43 45 1 0 0 0 0 6 8 2 0 0 0 0 46 20 1 0 0 0 0 26 28 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1444) S1444 > (S1444) 1-butyl-2-{(E)-2-[3-{(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl}-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1444) none > (S1444) 232-233 ?C > (S1444) 1018.0 > (S1444) HC; DY > (S1444) true $$$$ -ISIS- 11270914432D 56 62 0 0 0 0 0 0 0 0999 V2000 -1.0375 -1.6625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6917 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4708 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -4.4042 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.8417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -2.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -4.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -4.4667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -5.2292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -3.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 7 2 0 0 0 0 17 15 2 0 0 0 0 19 11 1 0 0 0 0 20 25 1 0 0 0 0 21 8 1 0 0 0 0 22 1 1 0 0 0 0 23 13 1 0 0 0 0 24 12 1 0 0 0 0 25 21 1 0 0 0 0 26 19 2 0 0 0 0 27 19 1 0 0 0 0 28 18 1 0 0 0 0 29 18 1 0 0 0 0 30 18 1 0 0 0 0 31 18 1 0 0 0 0 32 4 1 0 0 0 0 33 5 2 0 0 0 0 34 6 1 0 0 0 0 35 9 2 0 0 0 0 36 10 1 0 0 0 0 37 39 1 0 0 0 0 38 26 1 0 0 0 0 39 27 2 0 0 0 0 40 37 1 0 0 0 0 41 33 1 0 0 0 0 42 36 2 0 0 0 0 43 35 1 0 0 0 0 44 34 2 0 0 0 0 45 24 2 0 0 0 0 46 23 2 0 0 0 0 47 43 2 0 0 0 0 48 41 2 0 0 0 0 49 25 1 0 0 0 0 50 22 1 0 0 0 0 51 40 1 0 0 0 0 52 32 1 0 0 0 0 53 50 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 56 54 1 0 0 0 0 10 12 2 0 0 0 0 48 24 1 0 0 0 0 45 42 1 0 0 0 0 20 7 1 0 0 0 0 37 38 2 0 0 0 0 6 13 2 0 0 0 0 47 23 1 0 0 0 0 46 44 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1445) S1445 > (S1445) 1-butyl-2-{(E)-2-[3-{(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl}benzo[cd]indolium tetrafluoroborate > (S1445) none > (S1445) 259-260 ?C > (S1445) 992.0 > (S1445) HC; DY > (S1445) true $$$$ -ISIS- 11270914432D 53 59 0 0 0 0 0 0 0 0999 V2000 -1.8625 -1.4750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8667 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2958 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -4.2167 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.4292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -4.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -4.2875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -5.0500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -3.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 1 1 0 0 0 0 21 10 1 0 0 0 0 22 9 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 4 1 0 0 0 0 28 5 2 0 0 0 0 29 6 1 0 0 0 0 30 7 2 0 0 0 0 31 8 1 0 0 0 0 32 18 1 0 0 0 0 33 38 1 0 0 0 0 34 28 1 0 0 0 0 35 31 2 0 0 0 0 36 29 2 0 0 0 0 37 30 1 0 0 0 0 38 32 1 0 0 0 0 39 22 2 0 0 0 0 40 21 2 0 0 0 0 41 37 2 0 0 0 0 42 34 2 0 0 0 0 43 19 1 0 0 0 0 44 19 2 0 0 0 0 45 20 1 0 0 0 0 46 27 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 44 1 0 0 0 0 52 43 2 0 0 0 0 53 51 2 0 0 0 0 8 9 2 0 0 0 0 42 22 1 0 0 0 0 39 35 1 0 0 0 0 33 16 1 0 0 0 0 53 52 1 0 0 0 0 6 10 2 0 0 0 0 41 21 1 0 0 0 0 40 36 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1446) S1446 > (S1446) 1-butyl-2-{(E)-2-[3-{(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl}benzo[cd]indolium tetrafluoroborate > (S1446) none > (S1446) 244-245 ?C > (S1446) 998.0 > (S1446) HC; DY > (S1446) true $$$$ -ISIS- 11270914432D 48 53 0 0 0 0 0 0 0 0999 V2000 -1.4833 -0.9250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2542 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -0.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9208 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -3.6750 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.8167 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -3.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -3.7417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -4.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -2.8500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 15 17 2 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 1 1 0 0 0 0 20 10 1 0 0 0 0 21 9 1 0 0 0 0 22 13 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 4 1 0 0 0 0 28 5 2 0 0 0 0 29 6 1 0 0 0 0 30 7 2 0 0 0 0 31 8 1 0 0 0 0 32 18 1 0 0 0 0 33 38 1 0 0 0 0 34 28 1 0 0 0 0 35 31 2 0 0 0 0 36 29 2 0 0 0 0 37 30 1 0 0 0 0 38 32 1 0 0 0 0 39 21 2 0 0 0 0 40 20 2 0 0 0 0 41 37 2 0 0 0 0 42 34 2 0 0 0 0 43 19 1 0 0 0 0 44 27 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 8 9 2 0 0 0 0 42 21 1 0 0 0 0 39 35 1 0 0 0 0 33 17 1 0 0 0 0 6 10 2 0 0 0 0 41 20 1 0 0 0 0 40 36 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1447) S1447 > (S1447) 1-butyl-2-[(E)-2-(3-{(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-chloro-1-cyclohexen-1-yl)ethenyl]benzo[cd]indolium tetrafluoroborate > (S1447) none > (S1447) 216-217 ?C > (S1447) 1014.0 > (S1447) HC; DY > (S1447) Benz[cd]indolium, 1-butyl-2-[2-[3-[(1-butylbenz[cd]indol-2(1H)-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-, tetrafluoroborate (1-) (9CI) > (S1447) true $$$$ -ISIS- 11270914432D 50 55 0 0 0 0 0 0 0 0999 V2000 -1.0250 -0.8375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7042 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -0.7792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4583 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -3.5792 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.2667 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.3375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -3.5250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -3.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -4.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -2.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 2.1208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 2.3958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3750 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 15 17 2 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 5 2 0 0 0 0 22 6 1 0 0 0 0 23 20 2 0 0 0 0 24 26 2 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 1 1 0 0 0 0 28 13 1 0 0 0 0 29 14 1 0 0 0 0 30 14 1 0 0 0 0 31 14 1 0 0 0 0 32 14 1 0 0 0 0 33 4 1 0 0 0 0 34 9 2 0 0 0 0 35 10 1 0 0 0 0 36 24 1 0 0 0 0 37 23 1 0 0 0 0 38 18 1 0 0 0 0 39 44 1 0 0 0 0 40 19 2 0 0 0 0 41 43 2 0 0 0 0 42 35 2 0 0 0 0 43 34 1 0 0 0 0 44 38 1 0 0 0 0 45 27 1 0 0 0 0 46 33 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 10 7 2 0 0 0 0 24 19 1 0 0 0 0 40 42 1 0 0 0 0 39 17 1 0 0 0 0 6 8 2 0 0 0 0 41 20 1 0 0 0 0 23 25 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1448) S1448 > (S1448) 1-butyl-2-[(E)-2-(3-{(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-chloro-1-cyclohexen-1-yl)ethenyl]-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1448) 155613-98-2 > (S1448) 186-189 ?C > (S1448) 1042.0 > (S1448) HC; DY > (S1448) Benz[cd]indolium, 1-butyl-2-[2-[3-[(1-butyl-6-chlorobenz[cd]indol-2(1H)-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-6-chloro-, tetrafluoroborate(1-) (9CI); IR 1048; IR 1048 tetrafluoroborate > (S1448) true $$$$ -ISIS- 11270914432D 61 68 0 0 0 0 0 0 0 0999 V2000 -1.2333 -1.7250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2000 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8333 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 0.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6792 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -3.2667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.7750 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -3.3917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -3.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -4.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.8458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 1.5375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 19 1 0 0 0 0 16 11 1 0 0 0 0 18 16 2 0 0 0 0 19 13 2 0 0 0 0 20 8 1 0 0 0 0 21 7 1 0 0 0 0 22 5 2 0 0 0 0 23 6 1 0 0 0 0 24 30 2 0 0 0 0 25 20 2 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 28 15 1 0 0 0 0 29 28 1 0 0 0 0 30 22 1 0 0 0 0 31 23 2 0 0 0 0 32 1 1 0 0 0 0 33 17 1 0 0 0 0 34 17 1 0 0 0 0 35 17 1 0 0 0 0 36 17 1 0 0 0 0 37 4 1 0 0 0 0 38 9 2 0 0 0 0 39 10 1 0 0 0 0 40 24 1 0 0 0 0 41 25 1 0 0 0 0 42 44 2 0 0 0 0 43 21 2 0 0 0 0 44 38 1 0 0 0 0 45 39 2 0 0 0 0 46 27 1 0 0 0 0 47 26 2 0 0 0 0 48 26 1 0 0 0 0 49 27 2 0 0 0 0 50 32 1 0 0 0 0 51 37 1 0 0 0 0 52 51 1 0 0 0 0 53 50 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 56 47 1 0 0 0 0 57 48 2 0 0 0 0 58 49 1 0 0 0 0 59 46 2 0 0 0 0 60 57 1 0 0 0 0 61 58 2 0 0 0 0 10 7 2 0 0 0 0 24 21 1 0 0 0 0 43 45 1 0 0 0 0 16 29 1 0 0 0 0 61 59 1 0 0 0 0 56 60 2 0 0 0 0 6 8 2 0 0 0 0 42 20 1 0 0 0 0 25 31 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1449) S1449 > (S1449) 1-butyl-2-[(E)-2-[3-[(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1449) none > (S1449) 252-253 ?C > (S1449) 1010.0 > (S1449) HC; DY > (S1449) true $$$$ -ISIS- 11270914432D 66 72 0 0 0 0 0 0 0 0999 V2000 -0.4625 -2.7250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2667 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -2.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8958 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -5.4667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -4.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7042 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -5.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -5.5375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -4.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 13 12 2 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 11 2 0 0 0 0 17 15 2 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 5 2 0 0 0 0 22 6 1 0 0 0 0 23 13 1 0 0 0 0 24 31 1 0 0 0 0 25 12 1 0 0 0 0 26 28 2 0 0 0 0 27 20 2 0 0 0 0 28 21 1 0 0 0 0 29 22 2 0 0 0 0 30 1 1 0 0 0 0 31 25 1 0 0 0 0 32 23 1 0 0 0 0 33 23 2 0 0 0 0 34 18 1 0 0 0 0 35 18 1 0 0 0 0 36 18 1 0 0 0 0 37 18 1 0 0 0 0 38 4 1 0 0 0 0 39 9 2 0 0 0 0 40 10 1 0 0 0 0 41 42 2 0 0 0 0 42 33 1 0 0 0 0 43 32 2 0 0 0 0 44 26 1 0 0 0 0 45 27 1 0 0 0 0 46 19 2 0 0 0 0 47 49 2 0 0 0 0 48 41 1 0 0 0 0 49 39 1 0 0 0 0 50 40 2 0 0 0 0 51 31 1 0 0 0 0 52 44 1 0 0 0 0 53 45 1 0 0 0 0 54 30 1 0 0 0 0 55 48 1 0 0 0 0 56 38 1 0 0 0 0 57 53 1 0 0 0 0 58 52 1 0 0 0 0 59 57 1 0 0 0 0 60 54 1 0 0 0 0 61 58 1 0 0 0 0 62 56 1 0 0 0 0 63 59 1 0 0 0 0 64 61 1 0 0 0 0 65 60 1 0 0 0 0 66 62 1 0 0 0 0 10 7 2 0 0 0 0 26 19 1 0 0 0 0 46 50 1 0 0 0 0 24 11 1 0 0 0 0 41 43 1 0 0 0 0 6 8 2 0 0 0 0 47 20 1 0 0 0 0 27 29 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1450) S1450 > (S1450) 6-butoxy-2-[(E)-2-[3-[(E)-2-[6-butoxy-1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene]-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl]-1-butylbenzo[cd]indolium tetrafluoroborate > (S1450) none > (S1450) 117-118 ?C > (S1450) 1052.0 > (S1450) HC; DY > (S1450) true $$$$ -ISIS- 11270914432D 59 66 0 0 0 0 0 0 0 0999 V2000 -1.2333 -1.7250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2000 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8333 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 0.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6792 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -3.2667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.7750 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -3.3917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -3.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -4.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 15 2 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 19 1 0 0 0 0 16 9 1 0 0 0 0 18 16 2 0 0 0 0 19 13 2 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 24 1 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 27 17 1 0 0 0 0 28 17 1 0 0 0 0 29 17 1 0 0 0 0 30 17 1 0 0 0 0 31 4 1 0 0 0 0 32 5 2 0 0 0 0 33 6 1 0 0 0 0 34 7 2 0 0 0 0 35 8 1 0 0 0 0 36 33 2 0 0 0 0 37 32 1 0 0 0 0 38 35 2 0 0 0 0 39 34 1 0 0 0 0 40 37 2 0 0 0 0 41 25 2 0 0 0 0 42 26 2 0 0 0 0 43 39 2 0 0 0 0 44 20 1 0 0 0 0 45 21 2 0 0 0 0 46 21 1 0 0 0 0 47 20 2 0 0 0 0 48 24 1 0 0 0 0 49 31 1 0 0 0 0 50 49 1 0 0 0 0 51 48 1 0 0 0 0 52 50 1 0 0 0 0 53 51 1 0 0 0 0 54 45 1 0 0 0 0 55 46 2 0 0 0 0 56 47 1 0 0 0 0 57 44 2 0 0 0 0 58 56 2 0 0 0 0 59 55 1 0 0 0 0 8 10 2 0 0 0 0 40 25 1 0 0 0 0 41 38 1 0 0 0 0 16 22 1 0 0 0 0 54 59 2 0 0 0 0 58 57 1 0 0 0 0 6 11 2 0 0 0 0 43 26 1 0 0 0 0 42 36 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1451) S1451 > (S1451) 1-butyl-2-[(E)-2-[3-[(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]benzo[cd]indolium tetrafluoroborate > (S1451) none > (S1451) 230-231 ?C > (S1451) 996.0 > (S1451) HC; DY > (S1451) true $$$$ -ISIS- 11270914432D 52 58 0 0 0 0 0 0 0 0999 V2000 -1.2333 -1.7250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2000 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8333 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -3.2667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.7750 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -3.3917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -3.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -4.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 17 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 13 1 0 0 0 0 15 18 1 0 0 0 0 17 14 2 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 22 1 1 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 16 1 0 0 0 0 29 4 1 0 0 0 0 30 5 2 0 0 0 0 31 6 1 0 0 0 0 32 7 2 0 0 0 0 33 8 1 0 0 0 0 34 33 2 0 0 0 0 35 32 1 0 0 0 0 36 31 2 0 0 0 0 37 30 1 0 0 0 0 38 24 2 0 0 0 0 39 35 2 0 0 0 0 40 37 2 0 0 0 0 41 23 2 0 0 0 0 42 19 1 0 0 0 0 43 19 2 0 0 0 0 44 22 1 0 0 0 0 45 29 1 0 0 0 0 46 45 1 0 0 0 0 47 44 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 50 43 1 0 0 0 0 51 42 2 0 0 0 0 52 50 2 0 0 0 0 8 9 2 0 0 0 0 40 23 1 0 0 0 0 41 34 1 0 0 0 0 14 20 1 0 0 0 0 52 51 1 0 0 0 0 6 10 2 0 0 0 0 39 24 1 0 0 0 0 38 36 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1452) S1452 > (S1452) 1-butyl-2-[(E)-2-[3-[(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]benzo[cd]indolium tetrafluoroborate > (S1452) none > (S1452) 237-238 ?C > (S1452) 1030.0 > (S1452) HC; DY > (S1452) true $$$$ -ISIS- 11270914432D 66 73 0 0 0 0 0 0 0 0999 V2000 3.2000 -8.2458 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6292 -7.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -8.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5958 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5375 -6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -7.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -6.5083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1125 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4458 -7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8083 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -7.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8792 -7.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -8.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -8.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 -8.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1875 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 -4.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 -5.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -5.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 -5.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3417 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 -9.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -10.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1125 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3375 -2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -10.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -6.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3333 -5.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -9.7875 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.6167 -9.9167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 -9.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -10.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -8.9708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 15 2 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 18 1 0 0 0 0 16 11 1 0 0 0 0 17 16 2 0 0 0 0 18 13 2 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 5 2 0 0 0 0 22 6 1 0 0 0 0 23 20 2 0 0 0 0 24 30 2 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 28 1 0 0 0 0 28 15 1 0 0 0 0 29 22 2 0 0 0 0 30 21 1 0 0 0 0 31 1 1 0 0 0 0 32 4 1 0 0 0 0 33 9 2 0 0 0 0 34 10 1 0 0 0 0 35 23 1 0 0 0 0 36 24 1 0 0 0 0 37 19 2 0 0 0 0 38 40 2 0 0 0 0 39 34 2 0 0 0 0 40 33 1 0 0 0 0 41 25 2 0 0 0 0 42 25 1 0 0 0 0 43 26 2 0 0 0 0 44 26 1 0 0 0 0 45 35 1 0 0 0 0 46 31 1 0 0 0 0 47 32 1 0 0 0 0 48 45 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 46 1 0 0 0 0 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 42 2 0 0 0 0 56 43 1 0 0 0 0 57 44 2 0 0 0 0 58 41 1 0 0 0 0 59 55 1 0 0 0 0 60 56 2 0 0 0 0 7 10 2 0 0 0 0 39 37 1 0 0 0 0 19 24 1 0 0 0 0 27 16 1 0 0 0 0 58 59 2 0 0 0 0 57 60 1 0 0 0 0 8 6 2 0 0 0 0 29 23 1 0 0 0 0 20 38 1 0 0 0 0 36 61 1 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 63 62 1 0 0 0 0 64 62 1 0 0 0 0 65 62 1 0 0 0 0 66 62 1 0 0 0 0 A 61 C4H9 M CHG 2 1 1 62 -1 M END > (S1453) S1453 > (S1453) 6-butoxy-2-[(E)-2-[3-[(E)-2-[6-butoxy-1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]-1-butylbenzo[cd]indolium tetrafluoroborate > (S1453) none > (S1453) 249-250 ?C > (S1453) 1068.0 > (S1453) HC; DY > (S1453) true $$$$ -ISIS- 11270914432D 49 54 0 0 0 0 0 0 0 0999 V2000 -0.3583 -2.4167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3792 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -2.3625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7958 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -5.1667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 2.7750 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -3.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5292 -1.2417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -5.1125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -5.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -6.0042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -4.3500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 9 2 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 10 2 0 0 0 0 17 15 2 0 0 0 0 19 9 1 0 0 0 0 20 24 1 0 0 0 0 21 1 1 0 0 0 0 22 12 1 0 0 0 0 23 11 1 0 0 0 0 24 19 1 0 0 0 0 25 13 1 0 0 0 0 26 18 1 0 0 0 0 27 18 1 0 0 0 0 28 18 1 0 0 0 0 29 18 1 0 0 0 0 30 4 1 0 0 0 0 31 5 2 0 0 0 0 32 6 1 0 0 0 0 33 7 2 0 0 0 0 34 8 1 0 0 0 0 35 34 2 0 0 0 0 36 32 2 0 0 0 0 37 33 1 0 0 0 0 38 31 1 0 0 0 0 39 37 2 0 0 0 0 40 22 2 0 0 0 0 41 38 2 0 0 0 0 42 23 2 0 0 0 0 43 24 1 0 0 0 0 44 21 1 0 0 0 0 45 30 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 8 11 2 0 0 0 0 41 23 1 0 0 0 0 42 35 1 0 0 0 0 20 10 1 0 0 0 0 6 12 2 0 0 0 0 39 22 1 0 0 0 0 40 36 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1454) S1454 > (S1454) 1-butyl-2-[(E)-2-[3-[(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene]-2-chloro-5-methyl-1-cyclohexen-1-yl]ethenyl]benzo[cd]indolium, tetrafluoroborate > (S1454) none > (S1454) 223-224 ?C > (S1454) 1010.0 > (S1454) HC; DY > (S1454) true $$$$ -ISIS- 11270914432D 54 60 0 0 0 0 0 0 0 0999 V2000 -0.4708 -2.6292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2625 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -2.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9083 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -5.3750 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.4125 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8042 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -5.3167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -5.4417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -6.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -4.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 7 2 0 0 0 0 17 15 2 0 0 0 0 19 11 1 0 0 0 0 20 25 1 0 0 0 0 21 8 1 0 0 0 0 22 1 1 0 0 0 0 23 12 1 0 0 0 0 24 13 1 0 0 0 0 25 21 1 0 0 0 0 26 4 1 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 29 19 1 0 0 0 0 30 19 2 0 0 0 0 31 18 1 0 0 0 0 32 18 1 0 0 0 0 33 18 1 0 0 0 0 34 18 1 0 0 0 0 35 28 2 0 0 0 0 36 27 2 0 0 0 0 37 5 2 0 0 0 0 38 6 1 0 0 0 0 39 9 2 0 0 0 0 40 10 1 0 0 0 0 41 42 2 0 0 0 0 42 30 1 0 0 0 0 43 29 2 0 0 0 0 44 41 1 0 0 0 0 45 40 2 0 0 0 0 46 38 2 0 0 0 0 47 39 1 0 0 0 0 48 37 1 0 0 0 0 49 47 2 0 0 0 0 50 24 2 0 0 0 0 51 48 2 0 0 0 0 52 23 2 0 0 0 0 53 25 1 0 0 0 0 54 44 1 0 0 0 0 10 12 2 0 0 0 0 51 23 1 0 0 0 0 52 45 1 0 0 0 0 20 7 1 0 0 0 0 41 43 1 0 0 0 0 6 13 2 0 0 0 0 49 24 1 0 0 0 0 50 46 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1455) S1455 > (S1455) 1-allyl-2-{(E)-2-[3-{(E)-2-[1-allylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-(4-methoxyphenyl)-5-methyl-1-cyclohexen-1-yl]ethenyl}benzo[cd]indolium tetrafluoroborate > (S1455) none > (S1455) 237-239 ?C > (S1455) 990.0 > (S1455) HC; DY > (S1455) true $$$$ -ISIS- 11270914432D 57 64 0 0 0 0 0 0 0 0999 V2000 -0.9708 -1.7375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4625 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -1.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5708 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9417 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -3.3667 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.0375 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -3.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -4.1792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -2.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 15 2 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 19 1 0 0 0 0 16 9 1 0 0 0 0 18 16 2 0 0 0 0 19 13 2 0 0 0 0 20 1 1 0 0 0 0 21 14 1 0 0 0 0 22 14 1 0 0 0 0 23 15 1 0 0 0 0 24 23 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 27 4 1 0 0 0 0 28 20 1 0 0 0 0 29 27 1 0 0 0 0 30 17 1 0 0 0 0 31 17 1 0 0 0 0 32 17 1 0 0 0 0 33 17 1 0 0 0 0 34 29 2 0 0 0 0 35 28 2 0 0 0 0 36 5 2 0 0 0 0 37 6 1 0 0 0 0 38 7 2 0 0 0 0 39 8 1 0 0 0 0 40 39 2 0 0 0 0 41 38 1 0 0 0 0 42 37 2 0 0 0 0 43 36 1 0 0 0 0 44 26 2 0 0 0 0 45 41 2 0 0 0 0 46 43 2 0 0 0 0 47 25 2 0 0 0 0 48 21 1 0 0 0 0 49 22 2 0 0 0 0 50 22 1 0 0 0 0 51 21 2 0 0 0 0 52 49 1 0 0 0 0 53 50 2 0 0 0 0 54 51 1 0 0 0 0 55 48 2 0 0 0 0 56 54 2 0 0 0 0 57 53 1 0 0 0 0 8 10 2 0 0 0 0 46 25 1 0 0 0 0 47 40 1 0 0 0 0 16 24 1 0 0 0 0 52 57 2 0 0 0 0 56 55 1 0 0 0 0 6 11 2 0 0 0 0 45 26 1 0 0 0 0 44 42 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1456) S1456 > (S1456) 1-allyl-2-{(E)-2-[3-{(E)-2-[1-allylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl}benzo[cd]indolium tetrafluoroborate > (S1456) none > (S1456) 232-240 ?C > (S1456) 990.0 > (S1456) HC; DY > (S1456) true $$$$ -ISIS- 11270914432D 46 51 0 0 0 0 0 0 0 0999 V2000 -1.4583 -1.4792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2792 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8958 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -4.2292 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.8417 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -0.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -4.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -4.2917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -5.0542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -3.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 15 17 2 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 1 1 0 0 0 0 20 10 1 0 0 0 0 21 9 1 0 0 0 0 22 4 1 0 0 0 0 23 19 1 0 0 0 0 24 13 1 0 0 0 0 25 22 1 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 28 14 1 0 0 0 0 29 14 1 0 0 0 0 30 25 2 0 0 0 0 31 23 2 0 0 0 0 32 5 2 0 0 0 0 33 6 1 0 0 0 0 34 7 2 0 0 0 0 35 8 1 0 0 0 0 36 18 1 0 0 0 0 37 42 1 0 0 0 0 38 33 2 0 0 0 0 39 32 1 0 0 0 0 40 35 2 0 0 0 0 41 34 1 0 0 0 0 42 36 1 0 0 0 0 43 39 2 0 0 0 0 44 21 2 0 0 0 0 45 41 2 0 0 0 0 46 20 2 0 0 0 0 8 9 2 0 0 0 0 43 21 1 0 0 0 0 44 40 1 0 0 0 0 37 17 1 0 0 0 0 6 10 2 0 0 0 0 45 20 1 0 0 0 0 46 38 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1457) S1457 > (S1457) 1-allyl-2-[(E)-2-(3-{(E)-2-[1-allylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-chloro-1-cyclohexen-1-yl)ethenyl]benzo[cd]indolium tetrafluoroborate > (S1457) none > (S1457) 210 ?C > (S1457) 1010.0 > (S1457) HC; DY > (S1457) true $$$$ -ISIS- 11270914432D 71 80 0 0 0 0 0 0 0 0999 V2000 -0.4208 -1.6417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8417 -1.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0875 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3542 -0.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3875 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -4.0417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4333 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -4.7625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2625 -3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 12 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 4 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 11 1 0 0 0 0 20 10 1 0 0 0 0 21 1 1 0 0 0 0 22 5 1 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 25 2 1 0 0 0 0 26 9 1 0 0 0 0 27 9 2 0 0 0 0 28 9 2 0 0 0 0 29 14 1 0 0 0 0 30 32 1 0 0 0 0 31 19 1 0 0 0 0 32 22 2 0 0 0 0 33 23 2 0 0 0 0 34 24 1 0 0 0 0 35 24 2 0 0 0 0 36 6 1 0 0 0 0 37 6 1 0 0 0 0 38 7 1 0 0 0 0 39 7 1 0 0 0 0 40 21 1 0 0 0 0 41 25 1 0 0 0 0 42 34 2 0 0 0 0 43 35 1 0 0 0 0 44 43 2 0 0 0 0 45 49 1 0 0 0 0 46 17 1 0 0 0 0 47 20 2 0 0 0 0 48 19 2 0 0 0 0 49 46 1 0 0 0 0 50 29 1 0 0 0 0 51 29 2 0 0 0 0 52 31 2 0 0 0 0 53 30 2 0 0 0 0 54 44 1 0 0 0 0 55 41 1 0 0 0 0 56 40 2 0 0 0 0 57 40 1 0 0 0 0 58 41 2 0 0 0 0 59 48 1 0 0 0 0 60 47 1 0 0 0 0 61 50 2 0 0 0 0 62 51 1 0 0 0 0 63 59 2 0 0 0 0 64 53 1 0 0 0 0 65 56 1 0 0 0 0 66 57 2 0 0 0 0 67 58 1 0 0 0 0 68 55 2 0 0 0 0 69 66 1 0 0 0 0 70 62 2 0 0 0 0 71 67 2 0 0 0 0 10 7 1 0 0 0 0 30 20 1 0 0 0 0 65 69 2 0 0 0 0 64 60 2 0 0 0 0 45 18 1 0 0 0 0 70 61 1 0 0 0 0 8 11 2 0 0 0 0 31 33 1 0 0 0 0 63 52 1 0 0 0 0 71 68 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 2 1 1 26 -1 M END > (S1458) S1458 > (S1458) 3-benzyl-2-((E)-2-{3-[(E)-2-(3-benzyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl}ethenyl)-1,1-dimethyl-1H-benzo[e]indolium 4-methylbenzenesulfonate > (S1458) none > (S1458) 271-272 ?C > (S1458) 803.0 > (S1458) HC; DY > (S1458) true $$$$ -ISIS- 11270914432D 54 60 0 0 0 0 0 0 0 0999 V2000 -0.6375 -1.4667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7750 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -1.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2500 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -3.5042 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.3500 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -3.5750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -4.3375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -2.6875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -3.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 1.0958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 1.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3375 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 17 1 0 0 0 0 12 3 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 15 13 1 0 0 0 0 17 15 2 0 0 0 0 18 12 2 0 0 0 0 19 8 1 0 0 0 0 20 7 1 0 0 0 0 21 5 2 0 0 0 0 22 6 1 0 0 0 0 23 29 2 0 0 0 0 24 19 2 0 0 0 0 25 13 1 0 0 0 0 26 27 1 0 0 0 0 27 14 1 0 0 0 0 28 22 2 0 0 0 0 29 21 1 0 0 0 0 30 1 1 0 0 0 0 31 16 1 0 0 0 0 32 16 1 0 0 0 0 33 16 1 0 0 0 0 34 16 1 0 0 0 0 35 4 1 0 0 0 0 36 9 2 0 0 0 0 37 10 1 0 0 0 0 38 23 1 0 0 0 0 39 24 1 0 0 0 0 40 42 2 0 0 0 0 41 20 2 0 0 0 0 42 36 1 0 0 0 0 43 37 2 0 0 0 0 44 25 1 0 0 0 0 45 25 2 0 0 0 0 46 30 1 0 0 0 0 47 35 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 49 1 0 0 0 0 52 45 1 0 0 0 0 53 44 2 0 0 0 0 54 52 2 0 0 0 0 10 7 2 0 0 0 0 23 20 1 0 0 0 0 41 43 1 0 0 0 0 15 26 1 0 0 0 0 54 53 1 0 0 0 0 6 8 2 0 0 0 0 40 19 1 0 0 0 0 24 28 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1459) S1459 > (S1459) 1-butyl-2-[(E)-2-(3-{(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-phenyl-1-cyclopenten-1-yl)ethenyl]-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1459) none > (S1459) 231-232 ?C > (S1459) 1048.0 > (S1459) HC; DY > (S1459) true $$$$ -ISIS- 11270914432D 55 61 0 0 0 0 0 0 0 0999 V2000 -1.1208 -1.1042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3917 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -1.1875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6083 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.5042 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.9500 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -3.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -4.3292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.6792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 1.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 1.8333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 17 2 0 0 0 0 15 18 2 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 5 2 0 0 0 0 22 6 1 0 0 0 0 23 20 2 0 0 0 0 24 26 2 0 0 0 0 25 13 1 0 0 0 0 26 21 1 0 0 0 0 27 22 2 0 0 0 0 28 1 1 0 0 0 0 29 14 1 0 0 0 0 30 14 1 0 0 0 0 31 14 1 0 0 0 0 32 14 1 0 0 0 0 33 4 1 0 0 0 0 34 9 2 0 0 0 0 35 10 1 0 0 0 0 36 23 1 0 0 0 0 37 24 1 0 0 0 0 38 17 1 0 0 0 0 39 44 1 0 0 0 0 40 19 2 0 0 0 0 41 43 2 0 0 0 0 42 35 2 0 0 0 0 43 34 1 0 0 0 0 44 38 1 0 0 0 0 45 25 1 0 0 0 0 46 25 2 0 0 0 0 47 28 1 0 0 0 0 48 33 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 49 1 0 0 0 0 52 50 1 0 0 0 0 53 46 1 0 0 0 0 54 45 2 0 0 0 0 55 53 2 0 0 0 0 10 7 2 0 0 0 0 24 19 1 0 0 0 0 40 42 1 0 0 0 0 39 18 1 0 0 0 0 55 54 1 0 0 0 0 6 8 2 0 0 0 0 41 20 1 0 0 0 0 23 27 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1460) S1460 > (S1460) 1-butyl-2-[(E)-2-(3-{(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-phenyl-1-cyclohexen-1-yl)ethenyl]-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1460) none > (S1460) 1023.0 > (S1460) HC; DY > (S1460) true $$$$ -ISIS- 07201111452D 37 39 0 0 0 0 0 0 0 0999 V2000 11.7625 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0417 -8.3750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7625 -7.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3292 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -7.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9542 -9.7417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.6667 -5.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -8.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6167 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -10.3667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4750 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 -5.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4792 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -9.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -7.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -9.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -10.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9125 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -10.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6292 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 16 2 0 0 0 0 8 7 1 0 0 0 0 9 25 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 1 2 0 0 0 0 14 4 2 0 0 0 0 15 9 1 0 0 0 0 16 22 1 0 0 0 0 17 5 2 0 0 0 0 18 6 2 0 0 0 0 19 9 2 0 0 0 0 20 9 2 0 0 0 0 21 14 1 0 0 0 0 22 21 2 0 0 0 0 23 2 1 0 0 0 0 24 3 1 0 0 0 0 25 27 1 0 0 0 0 26 8 1 0 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 12 1 0 0 0 0 30 23 1 0 0 0 0 31 24 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 28 2 0 0 0 0 35 29 2 0 0 0 0 36 32 1 0 0 0 0 37 33 1 0 0 0 0 4 5 1 0 0 0 0 12 11 2 0 0 0 0 35 34 1 0 0 0 0 M CHG 1 15 -1 M END > (S1476) S1476 > (S1476) Sodium 3-(2-{(Z,2E)-4-[1,3-dibutyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]-2-butenylidene}-1,3-benzothiazol-3-yl)-1-propanesulfonate > (S1476) 54444-09-6 > (S1476) DY > (S1476) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 0.3250 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -2.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 13 10 2 0 0 0 0 14 9 2 0 0 0 0 M END > (S1478) S1478 > (S1478) 2-(3-Hydroxy-2-pyridyl)-3-pyridinol > (S1478) 36145-03-6 > (S1478) 178-188 ?C(Ref 4); 194-195 ?C(Ref 5) > (S1478) HC; DY > (S1478) [2,2'-Bipyridine]-3,3'-diol (9CI); 2,2'-Bipyridyl-3,3,-diol; 2,2'-Bis(3-pyridinol); 3,3'-Dihydroxy-2,2'-bipyridine; [2,2'-Bipyridyl]-3,3'-diol > (S1478) true $$$$ -ISIS- 11270914432D 43 49 0 0 0 0 0 0 0 0999 V2000 2.9042 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -3.8000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.3375 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -6.2667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.4792 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.2917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -1.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8667 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -4.5292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7292 -6.2542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7417 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -7.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -6.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -6.8500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.4792 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 7 6 2 0 0 0 0 8 21 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 12 2 0 0 0 0 18 13 2 0 0 0 0 19 17 1 0 0 0 0 20 7 1 0 0 0 0 21 30 2 0 0 0 0 22 17 1 0 0 0 0 23 11 2 0 0 0 0 24 5 1 0 0 0 0 25 8 1 0 0 0 0 26 5 2 0 0 0 0 27 5 2 0 0 0 0 28 8 2 0 0 0 0 29 8 2 0 0 0 0 30 23 1 0 0 0 0 31 4 1 0 0 0 0 32 16 1 0 0 0 0 33 40 1 0 0 0 0 34 12 1 0 0 0 0 35 15 1 0 0 0 0 36 19 1 0 0 0 0 37 22 1 0 0 0 0 38 42 1 0 0 0 0 40 31 1 0 0 0 0 41 32 1 0 0 0 0 42 34 1 0 0 0 0 43 37 1 0 0 0 0 7 3 1 0 0 0 0 15 14 2 0 0 0 0 19 20 2 0 0 0 0 16 33 1 0 0 0 0 35 41 1 0 0 0 0 38 22 1 0 0 0 0 21 18 1 0 0 0 0 43 36 1 0 0 0 0 M CHG 4 16 1 24 -1 25 -1 39 1 M END > (S1479) S1479 > (S1479) sodium 4-(1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)-1,3-benzenedisulfonate > (S1479) 465544-24-5 > (S1479) HC; DY > (S1479) 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-(2,4-disulfophenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt, sodium salt (9CI) > (S1479) true $$$$ -ISIS- 11270914432D 34 36 0 0 0 0 0 0 0 0999 V2000 7.1667 -6.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5167 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 -5.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3542 -4.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4667 -5.0167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6417 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0792 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6750 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4625 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2625 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6417 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0417 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -6.9875 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 9.6042 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7375 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4375 -3.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -4.1958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -5.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.2292 -1.8875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3125 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 19 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 11 2 0 0 0 0 16 13 2 0 0 0 0 17 14 2 0 0 0 0 18 15 1 0 0 0 0 19 21 1 0 0 0 0 20 3 1 0 0 0 0 21 20 2 0 0 0 0 22 1 1 0 0 0 0 24 6 1 0 0 0 0 25 5 1 0 0 0 0 26 7 1 0 0 0 0 27 16 1 0 0 0 0 28 18 1 0 0 0 0 29 15 1 0 0 0 0 30 17 1 0 0 0 0 31 22 1 0 0 0 0 32 25 1 0 0 0 0 33 24 1 0 0 0 0 34 26 1 0 0 0 0 8 7 1 0 0 0 0 18 12 2 0 0 0 0 10 9 2 0 0 0 0 17 16 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1481) S1481 > (S1481) 5,6-dichloro-2-[(E)-3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1,3-diethyl-3H-benzimidazol-1-ium iodide > (S1481) 3520-43-2 or 477 > (S1481) HC; DY > (S1481) 1H-Benzimidazolium, 5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1,3-diethyl-, iodide (9CI); 5,6-Dichloro-2-[3-(5,6-dichloro-1,3-diethyl-2-benzimidazolinylidene)propenyl]-1,3-diethylbenzimidazolium iodide (6CI, 7CI); Benzimidazolium, 5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-2-benzimidazolinylidene)propenyl]-1,3-diethyl-, iodide (8CI); Benzimidazolocarbocyanine iodide, 5,5',6,6'-tetrachloro-1,1',3,3'-tetraethyl- (8CI); Imidacarbocyanine iodide, 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloro- (8CI); 1,1',3,3'-Tetraethyl-5,5',6,6'-tetrachlorobenzimidazolocarbocyanine iodide; 1,1',3,3'-Tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine iodide; 5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide; Bis(5,6-dichloro-1,3-diethyl-2-benzimidazole)trimethinecyanine iodide; CBIC2; JC 1; NK 1420 > (S1481) true $$$$ -ISIS- 07201111452D 26 26 0 0 0 0 0 0 0 0999 V2000 5.9167 1.9083 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6625 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 3.0833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 3.1083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0875 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 3.1458 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.7542 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6542 3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 3.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9792 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 3.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.2458 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 3.0917 0.4958 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 10 1 0 0 0 0 8 5 2 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 13 17 1 0 0 0 0 14 1 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 17 15 1 0 0 0 0 18 4 1 0 0 0 0 19 6 1 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 3 6 1 0 0 0 0 19 24 2 0 0 0 0 9 7 1 0 0 0 0 M CHG 4 1 1 13 1 25 -1 26 -1 M END > (S1490) S1490 > (S1490) 3-methyl-2-{[1-[3-(trimethylammonio)propyl]-4(1H)-pyridinylidene]methyl}-1,3-benzothiazol-3-ium diiodide > (S1490) 157199-57-0 > (S1490) DY > (S1490) true $$$$ -ISIS- 07201111452D 28 28 0 0 0 0 0 0 0 0999 V2000 3.2375 -2.0292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.8125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7917 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -0.2042 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 6.1167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -3.0375 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 6.4542 -3.1625 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 9 1 0 0 0 0 7 15 2 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 10 2 0 0 0 0 14 19 1 0 0 0 0 15 13 1 0 0 0 0 16 1 1 0 0 0 0 17 18 1 0 0 0 0 18 6 1 0 0 0 0 19 17 1 0 0 0 0 20 4 1 0 0 0 0 21 5 1 0 0 0 0 22 14 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 20 2 0 0 0 0 26 25 1 0 0 0 0 3 5 1 0 0 0 0 21 26 2 0 0 0 0 8 6 1 0 0 0 0 M CHG 4 1 1 14 1 27 -1 28 -1 M END > (S1491) S1491 > (S1491) 3-methyl-2-{(E)-3-[1-[3-(trimethylammonio)propyl]-4(1H)-pyridinylidene]-1-propenyl}-1,3-benzothiazol-3-ium diiodide > (S1491) 173357-16-9 > (S1491) DY > (S1491) true $$$$ -ISIS- 07201111452D 32 33 0 0 0 0 0 0 0 0999 V2000 0.4625 -1.9000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1500 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.6542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -0.3667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 -0.1042 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 3.3042 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.0917 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 1.8417 -3.2417 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 4 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 12 2 0 0 0 0 14 19 1 0 0 0 0 15 13 1 0 0 0 0 16 1 1 0 0 0 0 17 18 1 0 0 0 0 18 5 1 0 0 0 0 19 17 1 0 0 0 0 20 4 1 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 6 1 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 20 2 0 0 0 0 28 22 2 0 0 0 0 29 28 1 0 0 0 0 30 27 1 0 0 0 0 3 6 1 0 0 0 0 23 30 2 0 0 0 0 7 5 1 0 0 0 0 29 21 2 0 0 0 0 M CHG 4 1 1 14 1 31 -1 32 -1 M END > (S1494) S1494 > (S1494) 3-methyl-2-{(E)-3-[1-[3-(trimethylammonio)propyl]-4(1H)-quinolinylidene]-1-propenyl}-1,3-benzothiazol-3-ium diiodide > (S1494) 157199-63-8 > (S1494) DY > (S1494) true $$$$ -ISIS- 07201111452D 30 31 0 0 0 0 0 0 0 0999 V2000 1.9417 -0.6125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6542 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.5958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 0.6083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7917 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 0.6708 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 1.8375 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -2.4375 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.4000 -2.5625 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 12 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 11 2 0 0 0 0 13 17 1 0 0 0 0 14 1 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 17 15 1 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 10 1 0 0 0 0 21 9 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 26 1 0 0 0 0 26 19 2 0 0 0 0 27 18 2 0 0 0 0 28 27 1 0 0 0 0 3 9 1 0 0 0 0 21 28 2 0 0 0 0 10 7 1 0 0 0 0 25 20 2 0 0 0 0 M CHG 4 1 1 13 1 29 -1 30 -1 M END > (S1495) S1495 > (S1495) 3-methyl-2-{[1-[3-(trimethylammonio)propyl]-4(1H)-quinolinylidene]methyl}-1,3-benzothiazol-3-ium diiodide > (S1495) 157199-59-2 > (S1495) DY > (S1495) true $$$$ -ISIS- 07201111452D 21 21 0 0 0 0 0 0 0 0999 V2000 2.3917 -7.1167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5292 -5.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -4.6250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8125 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -8.0917 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 2 2 0 0 0 0 4 8 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 16 2 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 1 1 0 0 0 0 15 7 2 0 0 0 0 16 6 1 0 0 0 0 17 5 1 0 0 0 0 18 5 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 11 15 1 0 0 0 0 4 9 2 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1498) S1498 > (S1498) 4-[(E)2-[4-(diethylamino)phenyl]vinyl]-1-methylpyridinium iodide > (S1498) 105802-46-8 > (S1498) DY > (S1498) true $$$$ -ISIS- 07201111452D 20 20 0 0 0 0 0 0 0 0999 V2000 3.1917 -7.6917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3292 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -5.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1917 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -8.6625 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 2 2 0 0 0 0 4 8 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 16 2 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 1 1 0 0 0 0 15 7 2 0 0 0 0 16 6 1 0 0 0 0 17 5 1 0 0 0 0 18 5 1 0 0 0 0 19 14 1 0 0 0 0 11 15 1 0 0 0 0 4 9 2 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1499) S1499 > (S1499) 4-[(E)2-[4-(dimethylamino)phenyl]vinyl]-1-Ethyllpyridinium iodide > (S1499) 29519-52-6 > (S1499) DY > (S1499) true $$$$ -ISIS- 07201111452D 19 19 0 0 0 0 0 0 0 0999 V2000 3.9042 -7.4792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0417 -6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -4.9875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9042 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -8.4542 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 2 2 0 0 0 0 4 8 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 16 2 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 1 1 0 0 0 0 15 7 2 0 0 0 0 16 6 1 0 0 0 0 17 5 1 0 0 0 0 18 5 1 0 0 0 0 11 15 1 0 0 0 0 4 9 2 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1500) S1500 > (S1500) 4-[(E)2-[4-(dimethylamino)phenyl]vinyl]-1-methylpyridinium iodide > (S1500) 959-81-9 > (S1500) DY > (S1500) true $$$$ -ISIS- 07201111452D 15 15 0 0 0 0 0 0 0 0999 V2000 6.6417 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -5.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -3.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7792 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 0 0 0 0 3 4 3 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 10 1 0 0 0 0 8 7 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 8 1 0 0 0 0 15 8 1 0 0 0 0 9 7 2 0 0 0 0 M END > (S1504) S1504 > (S1504) [4-(Dimethylamino)benzylidene]malononitrile > (S1504) 2826-28-0 > (S1504) DY > (S1504) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.9375 -2.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -2.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 3 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 4 3 1 0 0 0 0 10 8 1 0 0 0 0 M END > (S1519) S1519 > (S1519) 6-methoxy-1,3-benzothiazole-2-carbonitrile > (S1519) 943-03-3 > (S1519) 129-131 ?C > (S1519) HC; DY > (S1519) 2-Benzothiazolecarbonitrile, 6-methoxy- (7CI, 8CI, 9CI); 2-Cyano-6-methoxybenzothiazole; NSC 377382 > (S1519) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 -0.5208 -1.2750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5792 -1.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7958 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -2.0417 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 -0.2583 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -1.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -1.6292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -2.8750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -1.2167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -2.4542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -2.6667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 1.9542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 1.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 16 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 3 2 0 0 0 0 15 6 2 0 0 0 0 16 22 1 0 0 0 0 17 5 1 0 0 0 0 18 13 1 0 0 0 0 19 21 2 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 24 2 0 0 0 0 23 17 2 0 0 0 0 24 23 1 0 0 0 0 25 1 1 0 0 0 0 26 11 1 0 0 0 0 27 11 1 0 0 0 0 28 11 1 0 0 0 0 29 11 1 0 0 0 0 30 11 1 0 0 0 0 31 11 1 0 0 0 0 32 2 1 0 0 0 0 33 9 1 0 0 0 0 34 10 1 0 0 0 0 35 19 1 0 0 0 0 36 18 1 0 0 0 0 37 39 1 0 0 0 0 38 12 2 0 0 0 0 39 33 2 0 0 0 0 40 34 2 0 0 0 0 41 25 1 0 0 0 0 42 32 1 0 0 0 0 43 42 1 0 0 0 0 44 41 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 7 10 2 0 0 0 0 40 38 1 0 0 0 0 19 12 1 0 0 0 0 6 8 1 0 0 0 0 37 13 2 0 0 0 0 18 20 2 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1538) S1538 > (S1538) benzo[cd]indolium, 1-butyl-2-[(1E,3E)-5-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]-1,3-pentadienyl]-6-chloro- hexafluorophosphate > (S1538) DY > (S1538) true $$$$ -ISIS- 11270914432D 63 70 0 0 0 0 0 0 0 0999 V2000 -0.2458 -1.5750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1875 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -1.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8458 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 0.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4583 -2.4667 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 4.0042 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -2.5167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -2.7542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -3.1917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 -1.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -1.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.9958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 1.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 16 11 1 0 0 0 0 17 19 1 0 0 0 0 18 16 2 0 0 0 0 19 13 2 0 0 0 0 20 8 1 0 0 0 0 21 7 1 0 0 0 0 22 5 2 0 0 0 0 23 6 1 0 0 0 0 24 30 2 0 0 0 0 25 20 2 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 28 17 1 0 0 0 0 29 28 1 0 0 0 0 30 22 1 0 0 0 0 31 23 2 0 0 0 0 32 1 1 0 0 0 0 33 15 1 0 0 0 0 34 15 1 0 0 0 0 35 15 1 0 0 0 0 36 15 1 0 0 0 0 37 15 1 0 0 0 0 38 15 1 0 0 0 0 39 4 1 0 0 0 0 40 9 2 0 0 0 0 41 10 1 0 0 0 0 42 24 1 0 0 0 0 43 25 1 0 0 0 0 44 46 2 0 0 0 0 45 21 2 0 0 0 0 46 40 1 0 0 0 0 47 41 2 0 0 0 0 48 26 1 0 0 0 0 49 27 2 0 0 0 0 50 27 1 0 0 0 0 51 26 2 0 0 0 0 52 32 1 0 0 0 0 53 39 1 0 0 0 0 54 53 1 0 0 0 0 55 52 1 0 0 0 0 56 54 1 0 0 0 0 57 55 1 0 0 0 0 58 49 1 0 0 0 0 59 50 2 0 0 0 0 60 51 1 0 0 0 0 61 48 2 0 0 0 0 62 60 2 0 0 0 0 63 59 1 0 0 0 0 7 10 2 0 0 0 0 24 21 1 0 0 0 0 47 45 1 0 0 0 0 29 16 1 0 0 0 0 58 63 2 0 0 0 0 62 61 1 0 0 0 0 8 6 2 0 0 0 0 44 20 1 0 0 0 0 31 25 1 0 0 0 0 M CHG 2 1 1 15 -1 M END > (S1539) S1539 > (S1539) benzo[cd]indolium, 1-butyl-2-[(E)-2-[3-[(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]-6-chloro- hexafluorophosphate > (S1539) DY > (S1539) true $$$$ -ISIS- 11270914432D 61 68 0 0 0 0 0 0 0 0999 V2000 -0.1250 -1.8500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3042 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -1.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7333 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.3375 -2.7417 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 4.1167 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -2.7917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 -3.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -3.4667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -1.9292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -2.2167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -3.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 17 2 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 16 2 0 0 0 0 19 13 2 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 22 17 1 0 0 0 0 23 22 1 0 0 0 0 24 1 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 27 15 1 0 0 0 0 28 15 1 0 0 0 0 29 15 1 0 0 0 0 30 15 1 0 0 0 0 31 15 1 0 0 0 0 32 15 1 0 0 0 0 33 4 1 0 0 0 0 34 5 2 0 0 0 0 35 6 1 0 0 0 0 36 7 2 0 0 0 0 37 8 1 0 0 0 0 38 36 1 0 0 0 0 39 35 2 0 0 0 0 40 34 1 0 0 0 0 41 37 2 0 0 0 0 42 40 2 0 0 0 0 43 25 2 0 0 0 0 44 38 2 0 0 0 0 45 26 2 0 0 0 0 46 20 1 0 0 0 0 47 21 2 0 0 0 0 48 21 1 0 0 0 0 49 20 2 0 0 0 0 50 24 1 0 0 0 0 51 33 1 0 0 0 0 52 51 1 0 0 0 0 53 50 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 56 47 1 0 0 0 0 57 48 2 0 0 0 0 58 49 1 0 0 0 0 59 46 2 0 0 0 0 60 58 2 0 0 0 0 61 57 1 0 0 0 0 10 8 2 0 0 0 0 42 25 1 0 0 0 0 41 43 1 0 0 0 0 23 16 1 0 0 0 0 56 61 2 0 0 0 0 60 59 1 0 0 0 0 11 6 2 0 0 0 0 44 26 1 0 0 0 0 39 45 1 0 0 0 0 M CHG 2 1 1 15 -1 M END > (S1540) S1540 > (S1540) benzo[cd]indolium, 1-butyl-2-[(E)-2-[3-[(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]- hexafluorophosphate > (S1540) DY > (S1540) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 -0.1875 -1.0375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0333 -0.9500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2542 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0333 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 -2.2208 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 5.5458 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -2.2250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -2.2208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -2.9333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 -1.5083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -1.5125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -2.9375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1833 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 12 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 18 2 0 0 0 0 15 13 2 0 0 0 0 16 17 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 1 1 0 0 0 0 20 9 1 0 0 0 0 21 10 1 0 0 0 0 22 11 1 0 0 0 0 23 11 1 0 0 0 0 24 11 1 0 0 0 0 25 11 1 0 0 0 0 26 11 1 0 0 0 0 27 11 1 0 0 0 0 28 2 1 0 0 0 0 29 5 2 0 0 0 0 30 6 1 0 0 0 0 31 7 2 0 0 0 0 32 8 1 0 0 0 0 33 31 1 0 0 0 0 34 30 2 0 0 0 0 35 29 1 0 0 0 0 36 32 2 0 0 0 0 37 35 2 0 0 0 0 38 20 2 0 0 0 0 39 33 2 0 0 0 0 40 21 2 0 0 0 0 41 19 1 0 0 0 0 42 28 1 0 0 0 0 43 42 1 0 0 0 0 44 41 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 9 8 2 0 0 0 0 37 20 1 0 0 0 0 36 38 1 0 0 0 0 10 6 2 0 0 0 0 39 21 1 0 0 0 0 34 40 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1541) S1541 > (S1541) benzo[cd]indolium, 1-butyl-2-[(1E,3E,5E)-7-[1-butylbenzo[cd]indol-2(1H)-ylidene]-1,3,5-heptatrienyl]- hexafluorophosphate > (S1541) DY > (S1541) true $$$$ -ISIS- 11270914432D 52 57 0 0 0 0 0 0 0 0999 V2000 1.4417 -2.3667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -0.0042 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.2125 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.9625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2125 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3583 2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 13 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 16 2 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 15 1 0 0 0 0 14 12 2 0 0 0 0 15 18 2 0 0 0 0 16 14 1 0 0 0 0 17 1 1 0 0 0 0 18 22 1 0 0 0 0 19 1 2 0 0 0 0 20 1 2 0 0 0 0 21 1 2 0 0 0 0 22 24 2 0 0 0 0 23 7 2 0 0 0 0 24 8 1 0 0 0 0 25 4 1 0 0 0 0 26 5 1 0 0 0 0 27 7 1 0 0 0 0 28 8 1 0 0 0 0 29 6 1 0 0 0 0 30 32 1 0 0 0 0 31 13 1 0 0 0 0 32 31 1 0 0 0 0 33 25 2 0 0 0 0 34 25 1 0 0 0 0 35 26 1 0 0 0 0 36 26 2 0 0 0 0 37 27 1 0 0 0 0 38 27 2 0 0 0 0 39 28 2 0 0 0 0 40 28 1 0 0 0 0 41 34 2 0 0 0 0 42 39 1 0 0 0 0 43 36 1 0 0 0 0 44 35 2 0 0 0 0 45 40 2 0 0 0 0 46 37 2 0 0 0 0 47 38 1 0 0 0 0 48 33 1 0 0 0 0 49 43 2 0 0 0 0 50 45 1 0 0 0 0 51 47 2 0 0 0 0 52 41 1 0 0 0 0 22 23 1 0 0 0 0 50 42 2 0 0 0 0 46 51 1 0 0 0 0 30 12 1 0 0 0 0 3 4 1 0 0 0 0 49 44 1 0 0 0 0 52 48 2 0 0 0 0 M CHG 2 2 1 17 -1 M END > (S1553) S1553 > (S1553) 4-((E)-2-{2-chloro-3-[(E)-2-(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)- 2,6-diphenylthiopyranium perchlorate > (S1553) DY > (S1553) true $$$$ -ISIS- 11270914432D 56 62 0 0 0 0 0 0 0 0999 V2000 -3.4083 -1.5167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.4750 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 7.6292 -0.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -1.1125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2083 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 13 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 16 2 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 15 1 0 0 0 0 14 12 2 0 0 0 0 15 18 2 0 0 0 0 16 14 1 0 0 0 0 17 1 1 0 0 0 0 18 22 1 0 0 0 0 19 1 2 0 0 0 0 20 1 2 0 0 0 0 21 1 2 0 0 0 0 22 24 2 0 0 0 0 23 7 2 0 0 0 0 24 8 1 0 0 0 0 25 4 1 0 0 0 0 26 5 1 0 0 0 0 27 6 1 0 0 0 0 28 29 1 0 0 0 0 29 13 1 0 0 0 0 30 8 1 0 0 0 0 31 7 1 0 0 0 0 32 25 2 0 0 0 0 33 25 1 0 0 0 0 34 26 1 0 0 0 0 35 26 2 0 0 0 0 36 27 1 0 0 0 0 37 27 2 0 0 0 0 38 31 2 0 0 0 0 39 30 2 0 0 0 0 40 30 1 0 0 0 0 41 31 1 0 0 0 0 42 35 1 0 0 0 0 43 34 2 0 0 0 0 44 37 1 0 0 0 0 45 36 2 0 0 0 0 46 39 1 0 0 0 0 47 40 2 0 0 0 0 48 41 2 0 0 0 0 49 32 1 0 0 0 0 50 33 2 0 0 0 0 51 38 1 0 0 0 0 52 50 1 0 0 0 0 53 42 2 0 0 0 0 54 44 2 0 0 0 0 55 48 1 0 0 0 0 56 47 1 0 0 0 0 22 23 1 0 0 0 0 56 46 2 0 0 0 0 55 51 2 0 0 0 0 28 12 1 0 0 0 0 54 45 1 0 0 0 0 3 4 1 0 0 0 0 53 43 1 0 0 0 0 52 49 2 0 0 0 0 M CHG 2 2 1 17 -1 M END > (S1554) S1554 > (S1554) 4-((E)-2-{3-[(E)-2-(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl}ethenyl)- 2,6-diphenylthiopyranium perchlorate > (S1554) DY > (S1554) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 2.2292 -5.1750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7042 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -5.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2042 -8.1625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.5042 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -4.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8917 -4.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6750 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -8.8792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7917 -7.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -7.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -4.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -9.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -9.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -9.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 15 1 0 0 0 0 13 3 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 5 1 0 0 0 0 20 5 1 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 6 1 0 0 0 0 24 1 1 0 0 0 0 25 19 2 0 0 0 0 26 19 1 0 0 0 0 27 14 1 0 0 0 0 28 23 2 0 0 0 0 29 4 1 0 0 0 0 30 7 1 0 0 0 0 31 8 1 0 0 0 0 32 8 1 0 0 0 0 33 9 1 0 0 0 0 34 9 1 0 0 0 0 35 25 1 0 0 0 0 36 26 2 0 0 0 0 37 36 1 0 0 0 0 38 10 2 0 0 0 0 39 11 2 0 0 0 0 40 17 1 0 0 0 0 41 42 1 0 0 0 0 42 40 1 0 0 0 0 43 30 1 0 0 0 0 44 37 1 0 0 0 0 45 38 1 0 0 0 0 46 45 2 0 0 0 0 9 11 1 0 0 0 0 46 39 1 0 0 0 0 18 41 1 0 0 0 0 6 7 2 0 0 0 0 43 28 1 0 0 0 0 37 35 2 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1555) S1555 > (S1555) 2-((E)-2-{(3E)-2-chloro-3-[(2E)-2-(1,3,3-trimethyl-1,3,6,7-tetrahydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}vinyl)-1,3,3-trimethyl-3H-indolium 4-methylbenzenesulfonate > (S1555) DY > (S1555) true $$$$ -ISIS- 11270914432D 45 49 0 0 0 0 0 0 0 0999 V2000 -0.2208 -1.9542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -1.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 -4.9417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.0500 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -0.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4417 -0.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -5.6625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4625 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -0.8417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 18 1 0 0 0 0 17 15 2 0 0 0 0 18 13 2 0 0 0 0 19 5 1 0 0 0 0 20 5 1 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 6 1 0 0 0 0 24 25 1 0 0 0 0 25 16 1 0 0 0 0 26 1 1 0 0 0 0 27 19 1 0 0 0 0 28 19 2 0 0 0 0 29 14 1 0 0 0 0 30 23 2 0 0 0 0 31 4 1 0 0 0 0 32 7 1 0 0 0 0 33 8 1 0 0 0 0 34 8 1 0 0 0 0 35 9 1 0 0 0 0 36 9 1 0 0 0 0 37 27 2 0 0 0 0 38 28 1 0 0 0 0 39 38 2 0 0 0 0 40 10 2 0 0 0 0 41 11 2 0 0 0 0 42 32 1 0 0 0 0 43 39 1 0 0 0 0 44 40 1 0 0 0 0 45 44 2 0 0 0 0 9 11 1 0 0 0 0 45 41 1 0 0 0 0 15 24 1 0 0 0 0 6 7 2 0 0 0 0 42 30 1 0 0 0 0 39 37 1 0 0 0 0 M CHG 2 1 1 20 -1 M END > (S1556) S1556 > (S1556) 2-((E)-2-{(3E)-2-chloro-3-[(2E)-2-(1,3,3-trimethyl-1,3,6,7-tetrahydro-2H-indol-2-ylidene)ethylidene]cyclopent-1-en-1-yl}vinyl)-1,3,3-trimethyl-3H-indolium 4-methylbenzenesulfonate > (S1556) DY > (S1556) true $$$$ -ISIS- 11270914432D 53 59 0 0 0 0 0 0 0 0999 V2000 -0.7333 -1.0125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6583 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -0.9583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8042 0.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2458 0.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0667 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6292 -3.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8875 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -3.3250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7958 -3.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9792 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 18 1 0 0 0 0 17 15 2 0 0 0 0 18 13 2 0 0 0 0 19 9 1 0 0 0 0 20 8 2 0 0 0 0 21 4 2 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 11 2 0 0 0 0 25 11 2 0 0 0 0 26 14 1 0 0 0 0 27 28 1 0 0 0 0 28 16 1 0 0 0 0 29 31 2 0 0 0 0 30 19 1 0 0 0 0 31 21 1 0 0 0 0 32 22 2 0 0 0 0 33 1 1 0 0 0 0 34 11 1 0 0 0 0 35 5 1 0 0 0 0 36 6 1 0 0 0 0 37 6 1 0 0 0 0 38 7 1 0 0 0 0 39 7 1 0 0 0 0 40 20 1 0 0 0 0 41 19 2 0 0 0 0 42 26 1 0 0 0 0 43 26 2 0 0 0 0 44 30 2 0 0 0 0 45 29 1 0 0 0 0 46 34 1 0 0 0 0 47 40 2 0 0 0 0 48 41 1 0 0 0 0 49 42 2 0 0 0 0 50 43 1 0 0 0 0 51 48 2 0 0 0 0 52 45 2 0 0 0 0 53 50 2 0 0 0 0 8 7 1 0 0 0 0 29 20 1 0 0 0 0 52 47 1 0 0 0 0 15 27 1 0 0 0 0 53 49 1 0 0 0 0 10 9 2 0 0 0 0 30 32 1 0 0 0 0 51 44 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S1558) S1558 > (S1558) 1,1,3-trimethyl-2-((E)-2-{(3Z)-2-phenyl-3-[(2Z)-2-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]cyclopent-1-en-1-yl}vinyl)-1H-benzo[e]indolium methyl sulfate > (S1558) DY > (S1558) true $$$$ -ISIS- 11270914432D 46 50 0 0 0 0 0 0 0 0999 V2000 3.8875 -5.7250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7750 -7.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -8.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -6.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -9.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -9.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -5.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -7.4292 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.7375 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -8.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -6.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -6.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -9.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2333 -7.0167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -7.0167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -8.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -6.6333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 -9.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -4.3958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -6.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -7.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -8.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -9.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 20 2 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 3 2 0 0 0 0 12 4 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 18 14 2 0 0 0 0 19 16 1 0 0 0 0 20 23 1 0 0 0 0 21 6 1 0 0 0 0 22 1 1 0 0 0 0 23 25 2 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 26 11 1 0 0 0 0 27 12 1 0 0 0 0 28 2 1 0 0 0 0 29 17 1 0 0 0 0 30 17 1 0 0 0 0 31 17 1 0 0 0 0 32 17 1 0 0 0 0 33 19 1 0 0 0 0 34 18 1 0 0 0 0 35 9 1 0 0 0 0 36 10 1 0 0 0 0 37 15 2 0 0 0 0 38 40 1 0 0 0 0 39 36 2 0 0 0 0 40 35 2 0 0 0 0 41 22 1 0 0 0 0 42 28 1 0 0 0 0 43 42 1 0 0 0 0 44 41 1 0 0 0 0 45 44 1 0 0 0 0 46 43 1 0 0 0 0 7 10 2 0 0 0 0 37 39 1 0 0 0 0 18 15 1 0 0 0 0 4 8 1 0 0 0 0 38 16 2 0 0 0 0 19 13 2 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S1559) S1559 > (S1559) 1-butyl-2-[(1E,3E,5Z)-5-(1-butyl-6,8-dichlorobenzo[cd]indol-2(1H)-ylidene)penta-1,3-dienyl]-6,8-dichlorobenzo[cd]indolium tetrafluoroborate > (S1559) DY > (S1559) true $$$$ -ISIS- 11270914432D 32 34 0 0 0 0 0 0 0 0999 V2000 0.4375 -0.7125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8292 -0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0500 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1292 0.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1042 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.5292 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.3250 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -0.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -2.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -2.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 12 2 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 0 0 0 0 14 13 2 0 0 0 0 15 1 1 0 0 0 0 16 11 1 0 0 0 0 17 11 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 2 1 0 0 0 0 21 5 1 0 0 0 0 22 5 1 0 0 0 0 23 6 1 0 0 0 0 24 6 1 0 0 0 0 25 7 2 0 0 0 0 26 8 2 0 0 0 0 27 10 2 0 0 0 0 28 9 2 0 0 0 0 29 26 1 0 0 0 0 30 25 1 0 0 0 0 31 30 2 0 0 0 0 32 27 1 0 0 0 0 9 6 1 0 0 0 0 31 28 1 0 0 0 0 8 10 1 0 0 0 0 29 32 2 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1585) S1585 > (S1585) 1,3,3-trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-enyl]-3H-indolium tetrafluoroborate > (S1585) DY > (S1585) true $$$$ -ISIS- 11270914432D 52 56 0 0 0 0 0 0 0 0999 V2000 4.0500 -7.2458 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8792 -7.3917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5167 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -5.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1333 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -8.7167 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 10.3000 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -7.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -8.7167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -8.7167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -9.5375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -7.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -8.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5167 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -8.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4667 -3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -9.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -9.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4250 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -10.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 16 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 3 2 0 0 0 0 15 6 1 0 0 0 0 16 22 1 0 0 0 0 17 5 1 0 0 0 0 18 12 2 0 0 0 0 19 21 2 0 0 0 0 20 15 2 0 0 0 0 21 14 1 0 0 0 0 22 24 2 0 0 0 0 23 17 2 0 0 0 0 24 23 1 0 0 0 0 25 1 1 0 0 0 0 26 11 1 0 0 0 0 27 11 1 0 0 0 0 28 11 1 0 0 0 0 29 11 1 0 0 0 0 30 2 1 0 0 0 0 31 9 2 0 0 0 0 32 10 1 0 0 0 0 33 18 1 0 0 0 0 34 19 1 0 0 0 0 35 37 2 0 0 0 0 36 13 2 0 0 0 0 37 31 1 0 0 0 0 38 32 2 0 0 0 0 39 33 1 0 0 0 0 40 34 1 0 0 0 0 41 25 1 0 0 0 0 42 30 1 0 0 0 0 43 39 1 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 43 1 0 0 0 0 47 42 1 0 0 0 0 48 44 1 0 0 0 0 49 45 1 0 0 0 0 50 46 1 0 0 0 0 51 47 1 0 0 0 0 52 48 1 0 0 0 0 7 10 2 0 0 0 0 38 36 1 0 0 0 0 13 19 1 0 0 0 0 8 6 2 0 0 0 0 12 35 1 0 0 0 0 20 18 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1586) S1586 > (S1586) 6-butoxy-2-[(1E,3E,5E)-5-(6-butoxy-1-butylbenzo[cd]indol-2(1H)-ylidene)penta-1,3-dienyl]-1-butylbenzo[cd]indolium tetrafluoroborate > (S1586) DY > (S1586) true $$$$ -ISIS- 11270914432D 37 38 0 0 0 0 0 0 0 0999 V2000 1.2250 -0.5167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5500 2.2708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9750 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7083 -2.6167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -0.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5583 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 2.6750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9500 -1.8292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9583 2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -1.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 2.6250 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.8458 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 27 1 0 0 0 0 8 22 1 0 0 0 0 9 4 1 0 0 0 0 10 20 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 7 1 0 0 0 0 15 2 2 0 0 0 0 16 2 2 0 0 0 0 17 3 1 0 0 0 0 18 7 2 0 0 0 0 19 7 2 0 0 0 0 20 26 2 0 0 0 0 21 1 1 0 0 0 0 22 12 2 0 0 0 0 23 11 2 0 0 0 0 24 17 2 0 0 0 0 25 10 1 0 0 0 0 26 24 1 0 0 0 0 27 28 1 0 0 0 0 28 21 1 0 0 0 0 29 6 1 0 0 0 0 30 6 1 0 0 0 0 32 11 1 0 0 0 0 33 25 2 0 0 0 0 34 25 1 0 0 0 0 35 34 2 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 6 4 1 0 0 0 0 8 9 2 0 0 0 0 37 36 2 0 0 0 0 M CHG 4 1 1 13 -1 14 -1 31 1 M END > (S1587) S1587 > (S1587) sodium 2-{(1E,3E)-4-[acetyl(phenyl)amino]buta-1,3-dienyl}-3,3-dimethyl- 1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate > (S1587) DY > (S1587) true $$$$ -ISIS- 11270914432D 37 39 0 0 0 0 0 0 0 0999 V2000 3.3667 -3.9042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5917 -1.1167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.1167 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -2.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -3.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7000 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -0.7125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1833 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -5.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -7.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -6.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 18 1 0 0 0 0 8 4 1 0 0 0 0 9 17 1 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 2 2 0 0 0 0 15 3 1 0 0 0 0 16 29 1 0 0 0 0 17 22 2 0 0 0 0 18 11 2 0 0 0 0 19 10 2 0 0 0 0 20 15 2 0 0 0 0 21 9 1 0 0 0 0 22 20 1 0 0 0 0 23 1 1 0 0 0 0 24 16 2 0 0 0 0 25 6 1 0 0 0 0 26 6 1 0 0 0 0 27 16 1 0 0 0 0 28 10 1 0 0 0 0 29 33 1 0 0 0 0 30 21 1 0 0 0 0 31 21 2 0 0 0 0 32 23 1 0 0 0 0 33 34 1 0 0 0 0 34 32 1 0 0 0 0 35 30 2 0 0 0 0 36 31 1 0 0 0 0 37 36 2 0 0 0 0 6 4 1 0 0 0 0 8 7 2 0 0 0 0 37 35 1 0 0 0 0 M CHG 2 1 1 12 -1 M END > (S1588) S1588 > (S1588) 2-{(1E,3E)-4-[acetyl(phenyl)amino]buta-1,3-dienyl}-1-(5-carboxypentyl)- 3,3-dimethyl-3H-indolium-5-sulfonate > (S1588) DY > (S1588) true $$$$ -ISIS- 11270914432D 58 61 0 0 0 0 0 0 0 0999 V2000 1.9208 -7.2125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4042 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -7.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1167 -9.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -6.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 -6.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3625 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2958 -5.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 -9.5667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9417 -9.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -10.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -8.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -6.0375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5333 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6958 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -8.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2125 -13.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -13.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -12.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4792 -10.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -11.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8417 -11.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -9.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -10.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -11.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 -9.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -9.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5208 -5.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -14.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -14.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 3 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 5 1 0 0 0 0 20 5 2 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 1 1 0 0 0 0 24 14 1 0 0 0 0 25 4 1 0 0 0 0 26 6 1 0 0 0 0 27 6 1 0 0 0 0 28 7 1 0 0 0 0 29 7 1 0 0 0 0 30 8 1 0 0 0 0 31 9 1 0 0 0 0 32 11 1 0 0 0 0 33 10 1 0 0 0 0 34 36 1 0 0 0 0 35 17 1 0 0 0 0 36 35 1 0 0 0 0 37 23 1 0 0 0 0 38 25 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 41 46 1 0 0 0 0 42 45 1 0 0 0 0 43 52 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 50 1 0 0 0 0 47 37 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 38 1 0 0 0 0 52 51 1 0 0 0 0 53 31 2 0 0 0 0 54 32 2 0 0 0 0 55 56 1 0 0 0 0 56 30 2 0 0 0 0 57 39 1 0 0 0 0 58 40 1 0 0 0 0 10 7 1 0 0 0 0 55 33 2 0 0 0 0 18 34 1 0 0 0 0 9 11 2 0 0 0 0 54 53 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1589) S1589 > (S1589) 2-((E)-2-{(3E)-2-chloro-3-[(2E)-2-(1-decyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}vinyl)-1-decyl-3,3-dimethyl-3H-indolium perchlorate > (S1589) DY > (S1589) true $$$$ -ISIS- 11270914432D 50 53 0 0 0 0 0 0 0 0999 V2000 3.7667 -3.3625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.0417 -3.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2583 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -6.8417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.2750 -2.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4292 -2.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2125 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5292 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0583 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2958 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -7.5667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8417 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 -4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -6.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -4.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -3.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -2.2458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.2875 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9958 -5.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3583 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4125 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7208 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2333 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 12 2 0 0 0 0 4 1 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 16 1 0 0 0 0 13 4 1 0 0 0 0 14 19 2 0 0 0 0 15 1 1 0 0 0 0 16 18 2 0 0 0 0 17 13 2 0 0 0 0 18 14 1 0 0 0 0 19 17 1 0 0 0 0 20 2 1 0 0 0 0 21 5 1 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 5 2 0 0 0 0 25 5 2 0 0 0 0 26 5 2 0 0 0 0 27 23 2 0 0 0 0 28 22 2 0 0 0 0 29 14 1 0 0 0 0 30 6 1 0 0 0 0 31 6 1 0 0 0 0 32 7 1 0 0 0 0 33 7 1 0 0 0 0 34 23 1 0 0 0 0 35 22 1 0 0 0 0 36 8 1 0 0 0 0 37 9 1 0 0 0 0 38 11 1 0 0 0 0 39 10 1 0 0 0 0 40 42 1 0 0 0 0 41 19 1 0 0 0 0 42 41 1 0 0 0 0 43 34 1 0 0 0 0 44 35 1 0 0 0 0 45 36 2 0 0 0 0 46 37 2 0 0 0 0 47 38 2 0 0 0 0 48 45 1 0 0 0 0 49 43 1 0 0 0 0 50 44 1 0 0 0 0 7 10 1 0 0 0 0 48 39 2 0 0 0 0 40 18 1 0 0 0 0 9 11 2 0 0 0 0 47 46 1 0 0 0 0 M CHG 2 1 1 21 -1 M END > (S1590) S1590 > (S1590) 2-[(E)-2-((3E)-2-chloro-3-{(2E)-2-[1-(2-ethoxy-2-oxoethyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)vinyl]-1-(2-ethoxy-2-oxoethyl)-3,3-dimethyl-3H-indolium perchlorate > (S1590) DY > (S1590) true $$$$ -ISIS- 11270914432D 45 48 0 0 0 0 0 0 0 0999 V2000 -0.8875 -1.7833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1167 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -2.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -4.0167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -1.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8875 -0.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6750 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -3.2208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0500 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -0.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1042 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1042 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 17 1 0 0 0 0 13 3 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 14 1 0 0 0 0 17 16 2 0 0 0 0 18 13 2 0 0 0 0 19 5 1 0 0 0 0 20 5 2 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 15 1 0 0 0 0 24 23 1 0 0 0 0 25 1 1 0 0 0 0 26 14 1 0 0 0 0 27 4 1 0 0 0 0 28 6 1 0 0 0 0 29 6 1 0 0 0 0 30 7 1 0 0 0 0 31 7 1 0 0 0 0 32 8 2 0 0 0 0 33 9 1 0 0 0 0 34 11 1 0 0 0 0 35 10 2 0 0 0 0 36 25 1 0 0 0 0 37 27 1 0 0 0 0 38 37 1 0 0 0 0 39 36 1 0 0 0 0 40 33 2 0 0 0 0 41 34 2 0 0 0 0 42 32 1 0 0 0 0 43 42 2 0 0 0 0 44 38 1 0 0 0 0 45 39 1 0 0 0 0 10 7 1 0 0 0 0 43 35 1 0 0 0 0 16 24 1 0 0 0 0 9 11 2 0 0 0 0 41 40 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1642) S1642 > (S1642) 1-butyl-2-((E)-2-{(3E)-3-[(2E)-2-(1-butyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-chlorocyclopent-1-en-1-yl}vinyl)-3,3-dimethyl-3H-indolium perchlorate > (S1642) DY > (S1642) true $$$$ -ISIS- 11270914432D 46 49 0 0 0 0 0 0 0 0999 V2000 -1.6958 -2.8625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7542 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 0.8250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3375 -4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 1.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6958 -1.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4792 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -4.8333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3375 -5.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -0.0583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 3 1 0 0 0 0 14 18 2 0 0 0 0 15 17 2 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 5 1 0 0 0 0 20 5 2 0 0 0 0 21 5 2 0 0 0 0 22 5 2 0 0 0 0 23 1 1 0 0 0 0 24 14 1 0 0 0 0 25 4 1 0 0 0 0 26 6 1 0 0 0 0 27 6 1 0 0 0 0 28 7 1 0 0 0 0 29 7 1 0 0 0 0 30 8 2 0 0 0 0 31 9 1 0 0 0 0 32 11 1 0 0 0 0 33 10 2 0 0 0 0 34 18 1 0 0 0 0 35 36 1 0 0 0 0 36 34 1 0 0 0 0 37 23 1 0 0 0 0 38 25 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 42 2 0 0 0 0 42 30 1 0 0 0 0 43 31 2 0 0 0 0 44 32 2 0 0 0 0 45 39 1 0 0 0 0 46 40 1 0 0 0 0 10 7 1 0 0 0 0 41 33 1 0 0 0 0 35 17 1 0 0 0 0 9 11 2 0 0 0 0 44 43 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S1643) S1643 > (S1643) 1-butyl-2-((E)-2-{(3E)-3-[(2E)-2-(1-butyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-chlorocyclohex-1-en-1-yl}vinyl)-3,3-dimethyl-3H-indolium perchlorate > (S1643) DY > (S1643) true $$$$ -ISIS- 11270914432D 59 65 0 0 0 0 0 0 0 0999 V2000 -7.5167 -0.3875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4542 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 -0.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -7.8625 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3042 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4667 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2583 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9417 -2.8875 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -3.6042 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0000 -1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4417 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5667 -1.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3208 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1292 -2.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.7625 -3.0167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8167 -3.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0667 -2.0667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6500 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8625 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3292 1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 3.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8417 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2333 1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8375 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5542 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6667 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 4.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0208 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1500 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 5.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8167 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 7 2 0 0 0 0 17 15 2 0 0 0 0 19 11 1 0 0 0 0 20 25 1 0 0 0 0 21 8 1 0 0 0 0 22 1 1 0 0 0 0 23 13 1 0 0 0 0 24 12 1 0 0 0 0 25 21 1 0 0 0 0 26 19 1 0 0 0 0 27 19 2 0 0 0 0 28 18 1 0 0 0 0 29 18 1 0 0 0 0 30 18 1 0 0 0 0 31 18 1 0 0 0 0 32 4 1 0 0 0 0 33 5 2 0 0 0 0 34 6 1 0 0 0 0 35 9 2 0 0 0 0 36 10 1 0 0 0 0 37 39 2 0 0 0 0 38 26 2 0 0 0 0 39 27 1 0 0 0 0 40 37 1 0 0 0 0 41 33 1 0 0 0 0 42 35 1 0 0 0 0 43 34 2 0 0 0 0 44 36 2 0 0 0 0 45 42 2 0 0 0 0 46 23 2 0 0 0 0 47 41 2 0 0 0 0 48 24 2 0 0 0 0 49 25 1 0 0 0 0 50 40 1 0 0 0 0 51 22 1 0 0 0 0 52 32 1 0 0 0 0 53 50 1 0 0 0 0 54 53 1 0 0 0 0 55 52 1 0 0 0 0 56 51 1 0 0 0 0 57 54 1 0 0 0 0 58 56 1 0 0 0 0 59 55 1 0 0 0 0 10 12 2 0 0 0 0 47 24 1 0 0 0 0 48 44 1 0 0 0 0 20 7 1 0 0 0 0 38 37 1 0 0 0 0 6 13 2 0 0 0 0 45 23 1 0 0 0 0 46 43 1 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1644) S1644 > (S1644) 2-((E)-2-{(3E)-2-(4-butoxyphenyl)-3-[(2E)-2-(1-butylbenzo[cd]indol-2(1H)-ylidene)ethylidene]-5-methylcyclohex-1-en-1-yl}vinyl)-1-butylbenzo[cd]indolium tetrafluoroborate > (S1644) DY > (S1644) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 3.5917 -0.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.8708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0792 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 4 3 1 0 0 0 0 7 9 1 0 0 0 0 14 16 2 0 0 0 0 M END > (S1683) S1683 > (S1683) 2,3,3-trimethyl-3H-benzo[g]indole > (S1683) 74470-85-2 > (S1683) HC; DY > (S1683) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 -0.0833 -3.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4667 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -1.5917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 10 2 0 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 6 2 0 0 0 0 15 12 2 0 0 0 0 16 11 1 0 0 0 0 4 5 2 0 0 0 0 6 9 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S1689) S1689 > (S1689) 6-chloro-1-ethylbenzo[cd]indol-2(1H)-one > (S1689) 42487-22-9 > (S1689) HA; HC; DY > (S1689) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 -0.2833 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.4750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9958 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -5.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -0.4417 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 -2.4333 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -0.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 13 21 2 0 0 0 0 14 13 1 0 0 0 0 15 19 1 0 0 0 0 16 15 2 0 0 0 0 17 4 2 0 0 0 0 18 7 2 0 0 0 0 19 10 2 0 0 0 0 20 8 2 0 0 0 0 21 17 1 0 0 0 0 22 12 2 0 0 0 0 23 14 2 0 0 0 0 25 26 2 0 0 0 0 26 20 1 0 0 0 0 27 12 1 0 0 0 0 28 14 1 0 0 0 0 29 25 1 0 0 0 0 5 2 1 0 0 0 0 25 18 1 0 0 0 0 13 11 1 0 0 0 0 9 15 1 0 0 0 0 M CHG 2 16 1 24 -1 M END > (S1693) S1693 > (S1693) 6-amino-9-(2,4-dicarboxyphenyl)-3H-xanthen-3-iminium chloride > (S1693) DY > (S1693) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 -4.7583 1.3958 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8333 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.4583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7125 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2042 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6083 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0583 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 0.2958 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 -4.8708 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8458 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4833 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1792 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8708 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 17 1 1 0 0 0 0 18 4 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 10 1 0 0 0 0 22 9 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 19 2 0 0 0 0 26 20 2 0 0 0 0 27 25 1 0 0 0 0 28 21 2 0 0 0 0 9 6 1 0 0 0 0 27 22 2 0 0 0 0 8 10 2 0 0 0 0 28 26 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S1871) S1871 > (S1871) 3-ethyl-2-{(1E,3E)-5-[3-ethyl-1,3-benzoxazol-2(3H)-ylidene]-1,3-pentadienyl}-1,3-benzoxazol-3-ium iodide > (S1871) 14806-50-9 > (S1871) DY > (S1871) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 6.8625 -6.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4125 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2250 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -3.3792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -3.3875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -8.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 12 2 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 2 2 0 0 0 0 12 8 1 0 0 0 0 13 1 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 6 2 0 0 0 0 18 16 2 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 5 4 2 0 0 0 0 7 6 1 0 0 0 0 17 18 1 0 0 0 0 M END > (S1957) S1957 > (S1957) 1-butyl-6-(difluoromethoxy)benzo[cd]indol-2(1H)-one > (S1957) 1182284-26-9 > (S1957) AK; FL; HC; DY > (S1957) true $$$$ -ISIS- 07201111452D 42 46 0 0 0 0 0 0 0 0999 V2000 2.7042 -5.8167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2833 -5.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7917 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -6.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -6.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -8.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -7.3750 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 9.6500 -6.6250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -8.0958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 16 1 1 0 0 0 0 17 10 1 0 0 0 0 18 9 1 0 0 0 0 19 2 1 0 0 0 0 20 5 2 0 0 0 0 21 6 2 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 24 21 1 0 0 0 0 25 22 2 0 0 0 0 26 23 2 0 0 0 0 27 20 1 0 0 0 0 28 27 2 0 0 0 0 29 17 2 0 0 0 0 30 17 1 0 0 0 0 31 18 2 0 0 0 0 32 16 1 0 0 0 0 33 19 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 9 8 2 0 0 0 0 28 18 1 0 0 0 0 31 26 1 0 0 0 0 6 10 1 0 0 0 0 29 25 1 0 0 0 0 24 30 2 0 0 0 0 2 3 1 0 0 0 0 3 11 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 38 1 0 0 0 0 42 38 1 0 0 0 0 M CHG 2 1 1 38 -1 M END > (S1965) S1965 > (S1965) 1-butyl-2-[(1E,3E,5Z)-5-(1-butylbenzo[cd]indol-2(1H)-ylidene)penta-1,3-dienyl]benzo[cd]indolium tetrafluoroborate > (S1965) - > (S1965) DY > (S1965) true $$$$ -ISIS- 07201111452D 44 48 0 0 0 0 0 0 0 0999 V2000 1.4000 -5.7875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2833 -5.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7917 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -4.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -5.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4750 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -4.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -8.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 -8.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -7.3750 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 9.0042 -7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -6.6250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 -8.0958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 16 2 0 0 0 0 14 12 2 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 1 1 0 0 0 0 19 10 1 0 0 0 0 20 9 1 0 0 0 0 21 2 1 0 0 0 0 22 5 2 0 0 0 0 23 6 2 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 23 1 0 0 0 0 27 24 2 0 0 0 0 28 25 2 0 0 0 0 29 22 1 0 0 0 0 30 29 2 0 0 0 0 31 19 2 0 0 0 0 32 19 1 0 0 0 0 33 20 2 0 0 0 0 34 18 1 0 0 0 0 35 21 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 9 8 2 0 0 0 0 30 20 1 0 0 0 0 33 28 1 0 0 0 0 6 10 1 0 0 0 0 31 27 1 0 0 0 0 26 32 2 0 0 0 0 2 3 1 0 0 0 0 3 11 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 41 40 1 0 0 0 0 42 40 1 0 0 0 0 43 40 1 0 0 0 0 44 40 1 0 0 0 0 M CHG 2 1 1 40 -1 M END > (S1966) S1966 > (S1966) 1-butyl-2-[(1E,3E,5E,7Z)-7-(1-butylbenzo[cd]indol-2(1H)-ylidene)hepta-1,3,5-trien-1-yl]benzo[cd]indolium tetrafluoroborate > (S1966) - > (S1966) DY > (S1966) true $$$$ -ISIS- 11270914432D 42 46 0 0 0 0 0 0 0 0999 V2000 4.0250 -5.7542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3042 -5.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0750 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -7.3750 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 8.7500 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -6.6250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -8.0917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -4.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -4.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -8.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -9.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 16 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 3 2 0 0 0 0 15 6 2 0 0 0 0 16 18 1 0 0 0 0 17 5 1 0 0 0 0 18 17 2 0 0 0 0 19 21 2 0 0 0 0 20 12 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 1 1 0 0 0 0 24 11 1 0 0 0 0 25 11 1 0 0 0 0 26 11 1 0 0 0 0 27 11 1 0 0 0 0 28 2 1 0 0 0 0 29 9 1 0 0 0 0 30 10 1 0 0 0 0 31 20 1 0 0 0 0 32 19 1 0 0 0 0 33 36 1 0 0 0 0 34 13 2 0 0 0 0 35 30 2 0 0 0 0 36 29 2 0 0 0 0 37 23 1 0 0 0 0 38 28 1 0 0 0 0 39 38 1 0 0 0 0 40 37 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 7 10 2 0 0 0 0 34 35 1 0 0 0 0 19 13 1 0 0 0 0 6 8 1 0 0 0 0 12 33 2 0 0 0 0 22 20 2 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1969) S1969 > (S1969) 1-butyl-2-{(E)-3-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]-1-propenyl}-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1969) DY > (S1969) true $$$$ -ISIS- 11270914432D 67 75 0 0 0 0 0 0 0 0999 V2000 3.4375 -5.7792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4542 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -5.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4875 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -7.8417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.8250 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -4.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6292 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -4.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5125 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -8.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0667 -7.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -7.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5125 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 -4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -4.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -9.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -8.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -9.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -7.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 19 1 0 0 0 0 17 12 1 0 0 0 0 18 17 2 0 0 0 0 19 14 2 0 0 0 0 20 9 1 0 0 0 0 21 8 1 0 0 0 0 22 5 2 0 0 0 0 23 6 1 0 0 0 0 24 7 2 0 0 0 0 25 6 1 0 0 0 0 26 6 2 0 0 0 0 27 6 2 0 0 0 0 28 20 1 0 0 0 0 29 35 2 0 0 0 0 30 15 1 0 0 0 0 31 15 1 0 0 0 0 32 16 1 0 0 0 0 33 32 1 0 0 0 0 34 24 1 0 0 0 0 35 22 1 0 0 0 0 36 1 1 0 0 0 0 37 23 1 0 0 0 0 38 23 2 0 0 0 0 39 4 1 0 0 0 0 40 10 1 0 0 0 0 41 11 1 0 0 0 0 42 28 1 0 0 0 0 43 29 1 0 0 0 0 44 37 2 0 0 0 0 45 38 1 0 0 0 0 46 45 2 0 0 0 0 47 50 1 0 0 0 0 48 21 2 0 0 0 0 49 41 2 0 0 0 0 50 40 2 0 0 0 0 51 31 2 0 0 0 0 52 31 1 0 0 0 0 53 30 2 0 0 0 0 54 30 1 0 0 0 0 55 46 1 0 0 0 0 56 36 1 0 0 0 0 57 39 1 0 0 0 0 58 56 1 0 0 0 0 59 57 1 0 0 0 0 60 58 1 0 0 0 0 61 59 1 0 0 0 0 62 51 1 0 0 0 0 63 52 2 0 0 0 0 64 53 1 0 0 0 0 65 54 2 0 0 0 0 66 65 1 0 0 0 0 67 63 1 0 0 0 0 8 11 2 0 0 0 0 29 21 1 0 0 0 0 48 49 1 0 0 0 0 17 33 1 0 0 0 0 67 62 2 0 0 0 0 66 64 2 0 0 0 0 7 9 1 0 0 0 0 47 20 2 0 0 0 0 34 28 2 0 0 0 0 44 46 1 0 0 0 0 M CHG 2 1 1 25 -1 M END > (S1970) S1970 > (S1970) 1-butyl-2-{(E)-2-[3-{(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl}-6-chlorobenzo[cd]indolium 4-methylbenzenesulfonate > (S1970) DY > (S1970) true $$$$ -ISIS- 11270914432D 58 64 0 0 0 0 0 0 0 0999 V2000 0.8417 -5.4917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2250 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -5.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1083 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -7.6542 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 4.9250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -8.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -8.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -6.9042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -8.3750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 16 2 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 1 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 19 1 0 0 0 0 24 19 2 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 28 14 1 0 0 0 0 29 4 1 0 0 0 0 30 5 2 0 0 0 0 31 6 2 0 0 0 0 32 7 1 0 0 0 0 33 8 1 0 0 0 0 34 35 2 0 0 0 0 35 24 1 0 0 0 0 36 23 2 0 0 0 0 37 44 1 0 0 0 0 38 16 1 0 0 0 0 39 34 1 0 0 0 0 40 32 2 0 0 0 0 41 30 1 0 0 0 0 42 33 2 0 0 0 0 43 31 1 0 0 0 0 44 38 1 0 0 0 0 45 40 1 0 0 0 0 46 21 2 0 0 0 0 47 41 2 0 0 0 0 48 22 1 0 0 0 0 49 39 1 0 0 0 0 50 20 1 0 0 0 0 51 29 1 0 0 0 0 52 49 1 0 0 0 0 53 52 1 0 0 0 0 54 50 1 0 0 0 0 55 51 1 0 0 0 0 56 53 1 0 0 0 0 57 55 1 0 0 0 0 58 54 1 0 0 0 0 9 8 2 0 0 0 0 47 21 1 0 0 0 0 46 42 1 0 0 0 0 37 17 1 0 0 0 0 34 36 1 0 0 0 0 6 10 1 0 0 0 0 45 22 2 0 0 0 0 43 48 2 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1971) S1971 > (S1971) 2-[(E)-2-(2-(4-butoxyphenyl)-3-{(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-1-cyclohexen-1-yl)ethenyl]-1-butylbenzo[cd]indolium tetrafluoroborate > (S1971) DY > (S1971) true $$$$ -ISIS- 11270914432D 61 67 0 0 0 0 0 0 0 0999 V2000 3.1167 -6.7167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5000 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 -6.6542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1667 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -8.9375 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.3375 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1792 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -7.3250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2625 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -9.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -9.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -8.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -9.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -4.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -5.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2375 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -9.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -9.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -9.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -9.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 12 2 0 0 0 0 17 15 2 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 5 2 0 0 0 0 22 6 2 0 0 0 0 23 13 1 0 0 0 0 24 11 1 0 0 0 0 25 31 1 0 0 0 0 26 20 1 0 0 0 0 27 29 2 0 0 0 0 28 22 1 0 0 0 0 29 21 1 0 0 0 0 30 1 1 0 0 0 0 31 24 1 0 0 0 0 32 23 1 0 0 0 0 33 23 2 0 0 0 0 34 18 1 0 0 0 0 35 18 1 0 0 0 0 36 18 1 0 0 0 0 37 18 1 0 0 0 0 38 4 1 0 0 0 0 39 9 1 0 0 0 0 40 10 1 0 0 0 0 41 26 1 0 0 0 0 42 27 1 0 0 0 0 43 44 2 0 0 0 0 44 33 1 0 0 0 0 45 32 2 0 0 0 0 46 19 2 0 0 0 0 47 50 1 0 0 0 0 48 43 1 0 0 0 0 49 40 2 0 0 0 0 50 39 2 0 0 0 0 51 31 1 0 0 0 0 52 48 1 0 0 0 0 53 30 1 0 0 0 0 54 38 1 0 0 0 0 55 52 1 0 0 0 0 56 55 1 0 0 0 0 57 53 1 0 0 0 0 58 54 1 0 0 0 0 59 56 1 0 0 0 0 60 58 1 0 0 0 0 61 57 1 0 0 0 0 7 10 2 0 0 0 0 27 19 1 0 0 0 0 46 49 1 0 0 0 0 25 12 1 0 0 0 0 43 45 1 0 0 0 0 6 8 1 0 0 0 0 20 47 2 0 0 0 0 28 26 2 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1973) S1973 > (S1973) 2-[(E)-2-(2-(4-butoxyphenyl)-3-{(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene}-5-methyl-1-cyclohexen-1-yl)ethenyl]-1-butyl-6-chlorobenzo[cd]indolium tetrafluoroborate > (S1973) DY > (S1973) true $$$$ -ISIS- 11270914432D 56 62 0 0 0 0 0 0 0 0999 V2000 3.3042 -5.8292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6875 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -5.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3542 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -7.9667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 10.0792 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9625 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5417 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -8.6250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2000 -7.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -7.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2417 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -9.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -7.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -4.1917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8167 -4.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -5.1042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -9.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -7.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 -8.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -8.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -8.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -9.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 15 1 0 0 0 0 13 3 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 8 1 0 0 0 0 20 9 1 0 0 0 0 21 5 2 0 0 0 0 22 6 1 0 0 0 0 23 7 2 0 0 0 0 24 6 1 0 0 0 0 25 6 2 0 0 0 0 26 6 2 0 0 0 0 27 29 2 0 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 30 23 1 0 0 0 0 31 1 1 0 0 0 0 32 22 1 0 0 0 0 33 22 2 0 0 0 0 34 14 1 0 0 0 0 35 4 1 0 0 0 0 36 10 1 0 0 0 0 37 11 1 0 0 0 0 38 28 1 0 0 0 0 39 27 1 0 0 0 0 40 32 2 0 0 0 0 41 33 1 0 0 0 0 42 41 2 0 0 0 0 43 49 1 0 0 0 0 44 17 1 0 0 0 0 45 48 1 0 0 0 0 46 19 2 0 0 0 0 47 37 2 0 0 0 0 48 36 2 0 0 0 0 49 44 1 0 0 0 0 50 42 1 0 0 0 0 51 31 1 0 0 0 0 52 35 1 0 0 0 0 53 52 1 0 0 0 0 54 51 1 0 0 0 0 55 53 1 0 0 0 0 56 54 1 0 0 0 0 8 11 2 0 0 0 0 27 19 1 0 0 0 0 46 47 1 0 0 0 0 43 18 1 0 0 0 0 7 9 1 0 0 0 0 45 20 2 0 0 0 0 30 28 2 0 0 0 0 40 42 1 0 0 0 0 M CHG 2 1 1 24 -1 M END > (S1974) S1974 > (S1974) 1-butyl-2-[(E)-2-(3-{(E)-2-[1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-chloro-1-cyclohexen-1-yl)ethenyl]-6-chlorobenzo[cd]indolium 4-methylbenzenesulfonate > (S1974) DY > (S1974) true $$$$ -ISIS- 11270914432D 56 62 0 0 0 0 0 0 0 0999 V2000 3.3542 -5.8292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9292 -5.7875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4042 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -7.3875 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 0.9917 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -5.1167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5667 -4.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -6.6375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -8.1042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -7.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -7.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2750 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1667 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4042 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8500 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1042 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5542 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6875 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 20 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 14 23 2 0 0 0 0 15 11 1 0 0 0 0 16 3 2 0 0 0 0 17 6 2 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 24 1 0 0 0 0 21 5 1 0 0 0 0 22 17 1 0 0 0 0 23 16 1 0 0 0 0 24 26 2 0 0 0 0 25 21 2 0 0 0 0 26 25 1 0 0 0 0 27 1 1 0 0 0 0 28 13 1 0 0 0 0 29 13 1 0 0 0 0 30 13 1 0 0 0 0 31 13 1 0 0 0 0 32 2 1 0 0 0 0 33 18 1 0 0 0 0 34 19 1 0 0 0 0 35 9 1 0 0 0 0 36 10 1 0 0 0 0 37 12 2 0 0 0 0 38 39 1 0 0 0 0 39 35 2 0 0 0 0 40 36 2 0 0 0 0 41 33 2 0 0 0 0 42 33 1 0 0 0 0 43 34 2 0 0 0 0 44 34 1 0 0 0 0 45 27 1 0 0 0 0 46 32 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 50 48 1 0 0 0 0 51 42 2 0 0 0 0 52 43 1 0 0 0 0 53 44 2 0 0 0 0 54 41 1 0 0 0 0 55 53 1 0 0 0 0 56 51 1 0 0 0 0 7 10 2 0 0 0 0 37 40 1 0 0 0 0 14 12 1 0 0 0 0 6 8 1 0 0 0 0 56 54 2 0 0 0 0 38 11 2 0 0 0 0 22 15 2 0 0 0 0 55 52 2 0 0 0 0 M CHG 2 1 1 13 -1 M END > (S1975) S1975 > (S1975) 1-butyl-2-{(1E,3E)-5-[1-butyl-6-(phenylsulfanyl)benzo[cd]indol-2(1H)-ylidene]-1,3-pentadienyl}-6-(phenylsulfanyl)benzo[cd]indolium tetrafluoroborate > (S1975) DY > (S1975) true $$$$ -ISIS- 11270914432D 48 52 0 0 0 0 0 0 0 0999 V2000 11.7532 -4.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7119 -5.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3280 -4.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0634 -3.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 -5.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9777 -5.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 -6.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 -6.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5502 -5.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5025 -6.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7027 -6.5807 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2560 -5.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7799 -5.2452 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4029 -7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9187 -7.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6189 -8.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -9.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3974 -4.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6094 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -5.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -6.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -4.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 -4.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -5.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -6.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6922 -6.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 -7.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -5.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 -6.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 -6.2890 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9885 -5.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2685 -5.0723 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3824 -6.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1351 -7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6931 -8.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -9.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 -4.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -4.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7389 -5.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4110 -5.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -5.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5839 -5.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2396 -4.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9899 -4.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 -3.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8185 -2.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 22 23 2 0 0 0 0 23 20 1 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 24 25 1 0 0 0 0 2 6 1 0 0 0 0 25 26 2 0 0 0 0 10 11 1 0 0 0 0 26 27 1 0 0 0 0 27 29 2 0 0 0 0 28 24 2 0 0 0 0 28 29 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 30 33 1 0 0 0 0 14 15 1 0 0 0 0 33 34 1 0 0 0 0 6 7 2 0 0 0 0 34 35 1 0 0 0 0 15 16 1 0 0 0 0 35 36 1 0 0 0 0 5 3 1 0 0 0 0 32 37 1 0 0 0 0 16 17 1 0 0 0 0 32 38 1 0 0 0 0 7 8 1 0 0 0 0 31 39 1 0 0 0 0 13 18 1 0 0 0 0 39 40 2 0 0 0 0 8 10 2 0 0 0 0 40 41 1 0 0 0 0 13 19 1 0 0 0 0 41 42 2 0 0 0 0 9 5 2 0 0 0 0 42 43 1 0 0 0 0 43 12 2 0 0 0 0 9 10 1 0 0 0 0 41 44 1 0 0 0 0 20 21 2 0 0 0 0 44 45 1 0 0 0 0 21 25 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 24 22 1 0 0 0 0 A 48 ClO4- M CHG 1 30 1 M END > (S1976) S1976 > (S1976) 3-butyl-2-[(1E,3E)-5-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-3-(3-hydroxypropyl)-1,3-pentadienyl]-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1976) DY > (S1976) true $$$$ -ISIS- 11270914432D 51 55 0 0 0 0 0 0 0 0999 V2000 11.7212 -4.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7234 -5.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2939 -4.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0088 -4.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 -5.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0100 -6.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0126 -6.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2982 -7.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5805 -6.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5763 -6.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7887 -7.2024 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3060 -6.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 -5.8646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5298 -7.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0787 -8.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8198 -9.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3687 -10.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3827 -5.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5825 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2326 -6.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6099 -7.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 -5.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -5.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 -6.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 -7.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -7.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6338 -8.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 -6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -7.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9019 -7.1678 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0230 -6.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2826 -5.9820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4910 -7.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2855 -8.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8747 -9.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6691 -9.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 -5.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -5.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -6.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 -6.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8784 -6.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6096 -6.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2168 -5.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9481 -4.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9830 -3.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7142 -3.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7491 -2.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4803 -2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0527 -2.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -8.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 1 2 2 0 0 0 0 24 25 1 0 0 0 0 2 6 1 0 0 0 0 25 26 2 0 0 0 0 10 11 1 0 0 0 0 26 27 1 0 0 0 0 27 29 2 0 0 0 0 28 24 2 0 0 0 0 28 29 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 28 1 0 0 0 0 30 33 1 0 0 0 0 14 15 1 0 0 0 0 33 34 1 0 0 0 0 6 7 2 0 0 0 0 34 35 1 0 0 0 0 15 16 1 0 0 0 0 35 36 1 0 0 0 0 5 3 1 0 0 0 0 32 37 1 0 0 0 0 16 17 1 0 0 0 0 32 38 1 0 0 0 0 7 8 1 0 0 0 0 31 39 1 0 0 0 0 13 18 1 0 0 0 0 39 40 2 0 0 0 0 8 10 2 0 0 0 0 40 41 1 0 0 0 0 13 19 1 0 0 0 0 41 42 2 0 0 0 0 9 5 2 0 0 0 0 42 43 1 0 0 0 0 43 12 2 0 0 0 0 9 10 1 0 0 0 0 41 44 1 0 0 0 0 20 21 2 0 0 0 0 44 45 1 0 0 0 0 21 25 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 24 22 1 0 0 0 0 47 48 1 0 0 0 0 3 4 2 0 0 0 0 48 49 1 0 0 0 0 22 23 2 0 0 0 0 48 50 2 0 0 0 0 23 20 1 0 0 0 0 A 51 ClO4- M CHG 1 30 1 M END > (S1977) S1977 > (S1977) 2-[(1E,3E)-3-[3-(acetyloxy)propyl]-5-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-3-butyl-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1977) DY > (S1977) true $$$$ -ISIS- 11270914432D 60 66 0 0 0 0 0 0 0 0999 V2000 3.1852 -7.7261 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3699 -7.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0185 -7.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -6.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 -7.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5012 -7.8190 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.2930 -6.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2888 -7.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 -6.4813 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5659 -6.5403 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3206 -6.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 -6.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -7.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5894 -7.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0047 -6.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1659 -7.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4725 -6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -6.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9172 -8.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0107 -7.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1281 -7.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7225 -6.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 -7.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7251 -7.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -8.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7744 -8.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3936 -8.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8204 -8.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2423 -8.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2950 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 -5.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 -6.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3876 -5.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7853 -9.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3549 -9.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0499 -9.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0126 -10.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5007 -5.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9321 -5.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0064 -5.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 -6.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1068 -7.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4359 -6.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 -10.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -9.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7912 -9.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7213 -5.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 -7.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4337 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2429 -11.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -9.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 -10.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -10.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 -10.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 -11.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4733 -12.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4125 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 19 14 2 0 0 0 0 4 10 1 0 0 0 0 14 11 1 0 0 0 0 10 5 1 0 0 0 0 17 24 1 0 0 0 0 52 45 2 0 0 0 0 45 23 1 0 0 0 0 1 27 1 0 0 0 0 16 41 1 0 0 0 0 41 49 2 0 0 0 0 49 52 1 0 0 0 0 27 47 1 0 0 0 0 24 26 2 0 0 0 0 16 23 1 0 0 0 0 47 54 1 0 0 0 0 23 25 2 0 0 0 0 17 42 1 0 0 0 0 25 21 1 0 0 0 0 21 8 2 0 0 0 0 7 16 2 0 0 0 0 7 8 1 0 0 0 0 54 55 1 0 0 0 0 26 20 1 0 0 0 0 10 33 1 0 0 0 0 20 2 2 0 0 0 0 10 34 1 0 0 0 0 8 6 1 0 0 0 0 6 3 1 0 0 0 0 3 9 1 0 0 0 0 9 7 1 0 0 0 0 5 17 2 0 0 0 0 6 30 1 0 0 0 0 4 12 1 0 0 0 0 30 48 1 0 0 0 0 5 2 1 0 0 0 0 48 56 1 0 0 0 0 12 15 2 0 0 0 0 56 57 1 0 0 0 0 9 32 1 0 0 0 0 15 18 1 0 0 0 0 9 31 1 0 0 0 0 11 3 2 0 0 0 0 18 13 2 0 0 0 0 42 50 2 0 0 0 0 22 28 2 0 0 0 0 50 51 1 0 0 0 0 28 36 1 0 0 0 0 51 44 2 0 0 0 0 36 37 2 0 0 0 0 44 24 1 0 0 0 0 37 35 1 0 0 0 0 2 1 1 0 0 0 0 35 29 2 0 0 0 0 29 22 1 0 0 0 0 13 22 1 0 0 0 0 18 39 1 0 0 0 0 37 38 1 0 0 0 0 13 19 1 0 0 0 0 38 46 1 0 0 0 0 19 40 1 0 0 0 0 46 53 1 0 0 0 0 40 43 1 0 0 0 0 53 58 1 0 0 0 0 43 39 1 0 0 0 0 58 59 1 0 0 0 0 A 60 ClO4- M CHG 1 1 1 M END > (S1978) S1978 > (S1978) 2-((E)-2-{2-(4-butoxyphenyl)-3-[(E)-2-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-3-butyl-1,1-dimethyl-1H-benzo[e]indolium perchlorate > (S1978) DY > (S1978) true $$$$ -ISIS- 11270914432D 54 59 0 0 0 0 0 0 0 0999 V2000 3.1792 -6.3125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0167 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 -6.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.5042 -5.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5625 -5.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9792 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2875 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -7.9417 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.5875 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7167 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -6.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -8.6625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -8.3167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -8.3167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -7.1917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -8.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7167 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 17 2 0 0 0 0 15 18 2 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 8 2 0 0 0 0 20 9 2 0 0 0 0 21 4 2 0 0 0 0 22 10 2 0 0 0 0 23 1 1 0 0 0 0 24 20 1 0 0 0 0 25 27 2 0 0 0 0 26 22 1 0 0 0 0 27 21 1 0 0 0 0 28 13 1 0 0 0 0 29 14 1 0 0 0 0 30 14 1 0 0 0 0 31 14 1 0 0 0 0 32 14 1 0 0 0 0 33 5 1 0 0 0 0 34 6 1 0 0 0 0 35 6 1 0 0 0 0 36 7 1 0 0 0 0 37 7 1 0 0 0 0 38 42 1 0 0 0 0 39 17 1 0 0 0 0 40 19 1 0 0 0 0 41 20 1 0 0 0 0 42 39 1 0 0 0 0 43 24 1 0 0 0 0 44 25 1 0 0 0 0 45 23 1 0 0 0 0 46 33 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 49 40 2 0 0 0 0 50 41 2 0 0 0 0 51 47 1 0 0 0 0 52 48 1 0 0 0 0 53 44 2 0 0 0 0 54 50 1 0 0 0 0 7 8 1 0 0 0 0 19 25 1 0 0 0 0 49 53 1 0 0 0 0 18 38 1 0 0 0 0 9 10 1 0 0 0 0 24 26 2 0 0 0 0 43 54 2 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1979) S1979 > (S1979) 3-butyl-2-((E)-2-{3-[(E)-2-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl}ethenyl)-1,1-dimethyl-1H-benzo[e]indolium tetrafluoroborate > (S1979) DY > (S1979) true $$$$ -ISIS- 11270914432D 51 55 0 0 0 0 0 0 0 0999 V2000 2.5792 -5.5375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4125 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -5.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9000 -4.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9542 -4.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2875 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -8.3625 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 5.5167 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -3.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2125 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -8.7375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -8.7375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -7.6125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -9.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -8.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -9.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1167 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 10 1 0 0 0 0 8 17 1 0 0 0 0 9 1 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 5 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 7 2 0 0 0 0 17 15 2 0 0 0 0 19 10 1 0 0 0 0 20 8 1 0 0 0 0 21 23 1 0 0 0 0 22 1 1 0 0 0 0 23 20 1 0 0 0 0 24 19 1 0 0 0 0 25 19 2 0 0 0 0 26 18 1 0 0 0 0 27 18 1 0 0 0 0 28 18 1 0 0 0 0 29 18 1 0 0 0 0 30 4 1 0 0 0 0 31 5 1 0 0 0 0 32 5 1 0 0 0 0 33 6 1 0 0 0 0 34 6 1 0 0 0 0 35 36 2 0 0 0 0 36 25 1 0 0 0 0 37 24 2 0 0 0 0 38 9 2 0 0 0 0 39 11 2 0 0 0 0 40 12 2 0 0 0 0 41 13 2 0 0 0 0 42 35 1 0 0 0 0 43 23 1 0 0 0 0 44 42 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 39 1 0 0 0 0 48 49 2 0 0 0 0 49 38 1 0 0 0 0 50 41 1 0 0 0 0 51 46 1 0 0 0 0 12 6 1 0 0 0 0 48 40 1 0 0 0 0 21 7 1 0 0 0 0 35 37 1 0 0 0 0 11 13 1 0 0 0 0 47 50 2 0 0 0 0 M CHG 2 1 1 18 -1 M END > (S1980) S1980 > (S1980) 2-((E)-2-{2-(4-butoxyphenyl)-5-methyl-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium tetrafluoroborate > (S1980) DY > (S1980) true $$$$ -ISIS- 11270914432D 50 55 0 0 0 0 0 0 0 0999 V2000 1.2500 -6.5417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7250 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -6.5417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8292 -5.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9250 -5.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6292 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7792 -7.4875 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 6.3042 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -5.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 -7.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4917 -7.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7792 -6.6625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9917 -8.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -7.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 17 2 0 0 0 0 15 18 2 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 9 1 0 0 0 0 20 8 1 0 0 0 0 21 4 1 0 0 0 0 22 10 1 0 0 0 0 23 1 1 0 0 0 0 24 26 1 0 0 0 0 25 19 1 0 0 0 0 26 21 2 0 0 0 0 27 22 2 0 0 0 0 28 13 1 0 0 0 0 29 14 1 0 0 0 0 30 14 1 0 0 0 0 31 14 1 0 0 0 0 32 14 1 0 0 0 0 33 5 1 0 0 0 0 34 6 1 0 0 0 0 35 6 1 0 0 0 0 36 7 1 0 0 0 0 37 7 1 0 0 0 0 38 42 1 0 0 0 0 39 17 1 0 0 0 0 40 20 2 0 0 0 0 41 19 2 0 0 0 0 42 39 1 0 0 0 0 43 25 2 0 0 0 0 44 24 2 0 0 0 0 45 23 1 0 0 0 0 46 33 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 48 2 0 0 0 0 50 44 1 0 0 0 0 8 7 1 0 0 0 0 20 24 1 0 0 0 0 47 50 2 0 0 0 0 38 18 1 0 0 0 0 10 9 2 0 0 0 0 27 25 1 0 0 0 0 49 43 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1982) S1982 > (S1982) 2-((E)-2-{2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indolium tetrafluoroborate > (S1982) DY > (S1982) true $$$$ -ISIS- 11270914432D 61 66 0 0 0 0 0 0 0 0999 V2000 1.1500 -3.3542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7667 -3.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2000 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -5.5792 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.6333 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -3.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0542 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -5.9542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -5.9542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -4.8292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -2.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7792 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0750 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6750 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -5.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3625 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 19 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 27 2 0 0 0 0 15 18 2 0 0 0 0 16 3 2 0 0 0 0 17 6 2 0 0 0 0 18 14 1 0 0 0 0 19 22 1 0 0 0 0 20 5 1 0 0 0 0 21 30 1 0 0 0 0 22 26 2 0 0 0 0 23 20 2 0 0 0 0 24 13 1 0 0 0 0 25 29 2 0 0 0 0 26 15 1 0 0 0 0 27 23 1 0 0 0 0 28 17 1 0 0 0 0 29 16 1 0 0 0 0 30 14 1 0 0 0 0 31 21 1 0 0 0 0 32 1 1 0 0 0 0 33 11 1 0 0 0 0 34 11 1 0 0 0 0 35 11 1 0 0 0 0 36 11 1 0 0 0 0 37 2 1 0 0 0 0 38 9 1 0 0 0 0 39 10 1 0 0 0 0 40 25 1 0 0 0 0 41 24 1 0 0 0 0 42 45 1 0 0 0 0 43 12 2 0 0 0 0 44 39 2 0 0 0 0 45 38 2 0 0 0 0 46 21 1 0 0 0 0 47 21 1 0 0 0 0 48 40 1 0 0 0 0 49 41 1 0 0 0 0 50 32 1 0 0 0 0 51 37 1 0 0 0 0 52 48 1 0 0 0 0 53 49 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 56 51 1 0 0 0 0 57 50 1 0 0 0 0 58 54 1 0 0 0 0 59 55 1 0 0 0 0 60 57 1 0 0 0 0 61 56 1 0 0 0 0 10 7 2 0 0 0 0 44 43 1 0 0 0 0 12 25 1 0 0 0 0 15 31 1 0 0 0 0 8 6 1 0 0 0 0 42 13 2 0 0 0 0 24 28 2 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1983) S1983 > (S1983) 6-butoxy-2-[(E)-3-(3-{(E)-3-[6-butoxy-1-butylbenzo[cd]indol-2(1H)-ylidene]-1-propenyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-1-butylbenzo[cd]indolium tetrafluoroborate > (S1983) DY > (S1983) true $$$$ -ISIS- 11270914432D 51 56 0 0 0 0 0 0 0 0999 V2000 2.2250 -5.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4042 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 -5.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.9750 -4.2917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4792 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -4.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0250 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -8.0167 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 11.4667 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -6.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0542 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1875 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1917 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -8.7375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -8.3917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -8.3917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -7.2667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9000 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1667 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8917 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 19 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 12 9 2 0 0 0 0 13 8 2 0 0 0 0 14 25 2 0 0 0 0 15 18 2 0 0 0 0 16 2 2 0 0 0 0 17 10 2 0 0 0 0 18 14 1 0 0 0 0 19 22 1 0 0 0 0 20 6 1 0 0 0 0 21 27 1 0 0 0 0 22 24 2 0 0 0 0 23 20 2 0 0 0 0 24 15 1 0 0 0 0 25 23 1 0 0 0 0 26 21 1 0 0 0 0 27 14 1 0 0 0 0 28 12 1 0 0 0 0 29 30 2 0 0 0 0 30 16 1 0 0 0 0 31 17 1 0 0 0 0 32 1 1 0 0 0 0 33 11 1 0 0 0 0 34 11 1 0 0 0 0 35 11 1 0 0 0 0 36 11 1 0 0 0 0 37 3 1 0 0 0 0 38 4 1 0 0 0 0 39 4 1 0 0 0 0 40 7 1 0 0 0 0 41 7 1 0 0 0 0 42 12 1 0 0 0 0 43 13 1 0 0 0 0 44 21 1 0 0 0 0 45 21 1 0 0 0 0 46 29 1 0 0 0 0 47 28 1 0 0 0 0 48 43 2 0 0 0 0 49 42 2 0 0 0 0 50 49 1 0 0 0 0 51 46 2 0 0 0 0 7 8 1 0 0 0 0 13 29 1 0 0 0 0 48 51 1 0 0 0 0 26 15 1 0 0 0 0 9 10 1 0 0 0 0 28 31 2 0 0 0 0 47 50 2 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1984) S1984 > (S1984) 2-((E)-3-{5,5-dimethyl-3-[(E)-3-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene}-1-propenyl)-1,1,3-trimethyl-1H-benzo[e]indolium tetrafluoroborate > (S1984) DY > (S1984) true $$$$ -ISIS- 11270914432D 51 56 0 0 0 0 0 0 0 0999 V2000 2.4667 -5.7917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2083 -5.9250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6542 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0042 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -4.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8500 -4.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0750 -8.3125 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 1.2042 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7125 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -6.3375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3000 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4375 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -9.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -8.6875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -8.6875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -7.5625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9542 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8042 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4500 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1667 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 19 2 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 12 3 2 0 0 0 0 13 4 2 0 0 0 0 14 25 2 0 0 0 0 15 18 2 0 0 0 0 16 8 2 0 0 0 0 17 7 2 0 0 0 0 18 14 1 0 0 0 0 19 22 1 0 0 0 0 20 6 1 0 0 0 0 21 28 1 0 0 0 0 22 24 2 0 0 0 0 23 20 2 0 0 0 0 24 15 1 0 0 0 0 25 23 1 0 0 0 0 26 1 1 0 0 0 0 27 21 1 0 0 0 0 28 14 1 0 0 0 0 29 12 1 0 0 0 0 30 13 1 0 0 0 0 31 16 1 0 0 0 0 32 29 2 0 0 0 0 33 11 1 0 0 0 0 34 11 1 0 0 0 0 35 11 1 0 0 0 0 36 11 1 0 0 0 0 37 2 1 0 0 0 0 38 9 1 0 0 0 0 39 9 1 0 0 0 0 40 10 1 0 0 0 0 41 10 1 0 0 0 0 42 12 1 0 0 0 0 43 13 1 0 0 0 0 44 21 1 0 0 0 0 45 21 1 0 0 0 0 46 30 1 0 0 0 0 47 29 1 0 0 0 0 48 43 2 0 0 0 0 49 42 2 0 0 0 0 50 49 1 0 0 0 0 51 48 1 0 0 0 0 10 7 1 0 0 0 0 17 32 1 0 0 0 0 47 50 2 0 0 0 0 27 15 1 0 0 0 0 8 4 1 0 0 0 0 31 30 2 0 0 0 0 51 46 2 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S1985) S1985 > (S1985) 2-((E)-3-{5,5-dimethyl-3-[(E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-benzo[g]indol-2-ylidene)-1-propenyl]-2-cyclohexen-1-ylidene}-1-propenyl)-1,3,3-trimethyl-3H-benzo[g]indolium tetrafluoroborate > (S1985) DY > (S1985) true $$$$ -ISIS- 11270914432D 49 53 0 0 0 0 0 0 0 0999 V2000 2.3542 -7.9417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.8292 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -7.9500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9167 -6.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0292 -6.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8042 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 -6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -9.6167 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.4042 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -3.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9667 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -8.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -10.4167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -10.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -10.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -8.7917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -8.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -4.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -3.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -9.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3625 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 16 2 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 30 1 0 0 0 0 22 1 1 0 0 0 0 23 19 2 0 0 0 0 24 19 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 28 14 1 0 0 0 0 29 4 1 0 0 0 0 30 38 1 0 0 0 0 31 20 1 0 0 0 0 32 20 1 0 0 0 0 33 5 1 0 0 0 0 34 5 1 0 0 0 0 35 6 1 0 0 0 0 36 6 1 0 0 0 0 37 23 1 0 0 0 0 38 24 2 0 0 0 0 39 7 1 0 0 0 0 40 8 1 0 0 0 0 41 10 1 0 0 0 0 42 9 1 0 0 0 0 43 45 1 0 0 0 0 44 16 1 0 0 0 0 45 44 1 0 0 0 0 46 47 1 0 0 0 0 47 39 2 0 0 0 0 48 41 2 0 0 0 0 49 40 2 0 0 0 0 6 9 1 0 0 0 0 42 46 2 0 0 0 0 18 43 1 0 0 0 0 30 37 2 0 0 0 0 10 8 2 0 0 0 0 49 48 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S1986) S1986 > (S1986) 2-((E)-2-{2-[4-(difluoromethoxy)phenyl]-3-[(E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-1,3,3-trimethyl-3H-indolium tetrafluoroborate > (S1986) DY > (S1986) true $$$$ -ISIS- 11270914432D 27 28 0 0 0 0 0 0 0 0999 V2000 3.1167 -7.2042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6792 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -5.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8292 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -8.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 8.8292 -7.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 9 2 0 0 0 0 4 3 1 0 0 0 0 5 10 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 13 7 1 0 0 0 0 14 1 1 0 0 0 0 15 13 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 21 2 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 27 23 2 0 0 0 0 2 11 1 0 0 0 0 26 25 2 0 0 0 0 M CHG 2 1 1 12 -1 M END > (S2003) S2003 > (S2003) N-((E)-2-{3-[(E)-2-anilinoethenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}ethylidene)benzenaminium chloride > (S2003) DY > (S2003) true $$$$ -ISIS- 11270914432D 65 72 0 0 0 0 0 0 0 0999 V2000 -1.4083 -5.4625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0042 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -5.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1667 -3.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8833 -4.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6958 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -3.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -7.3375 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 3.5667 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -8.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -7.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -6.5125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 19 1 0 0 0 0 16 11 1 0 0 0 0 18 16 2 0 0 0 0 19 13 2 0 0 0 0 20 9 1 0 0 0 0 21 8 1 0 0 0 0 22 4 1 0 0 0 0 23 10 1 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 15 1 0 0 0 0 27 26 1 0 0 0 0 28 1 1 0 0 0 0 29 31 1 0 0 0 0 30 20 1 0 0 0 0 31 22 2 0 0 0 0 32 23 2 0 0 0 0 33 17 1 0 0 0 0 34 17 1 0 0 0 0 35 17 1 0 0 0 0 36 17 1 0 0 0 0 37 5 1 0 0 0 0 38 6 1 0 0 0 0 39 6 1 0 0 0 0 40 7 1 0 0 0 0 41 7 1 0 0 0 0 42 20 2 0 0 0 0 43 21 2 0 0 0 0 44 25 1 0 0 0 0 45 24 2 0 0 0 0 46 24 1 0 0 0 0 47 25 2 0 0 0 0 48 30 2 0 0 0 0 49 29 2 0 0 0 0 50 28 1 0 0 0 0 51 37 1 0 0 0 0 52 51 1 0 0 0 0 53 50 1 0 0 0 0 54 42 1 0 0 0 0 55 43 1 0 0 0 0 56 52 1 0 0 0 0 57 53 1 0 0 0 0 58 45 1 0 0 0 0 59 46 2 0 0 0 0 60 47 1 0 0 0 0 61 44 2 0 0 0 0 62 49 1 0 0 0 0 63 54 2 0 0 0 0 64 59 1 0 0 0 0 65 60 2 0 0 0 0 8 7 1 0 0 0 0 21 29 1 0 0 0 0 55 62 2 0 0 0 0 27 16 1 0 0 0 0 65 61 1 0 0 0 0 58 64 2 0 0 0 0 10 9 2 0 0 0 0 32 30 1 0 0 0 0 63 48 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > (S2011) S2011 > (S2011) 3-butyl-2-{(E)-2-[3-[(E)-2-(3-butyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl}-1,1-dimethyl-1H-benzo[e]indolium tetrafluoroborate > (S2011) DY > (S2011) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 6.3875 -5.6417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4542 -4.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6042 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -4.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1750 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.4292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7292 -3.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -4.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -7.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -9.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 14 2 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 2 2 0 0 0 0 12 2 2 0 0 0 0 13 21 1 0 0 0 0 14 9 1 0 0 0 0 15 1 1 0 0 0 0 16 13 2 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 4 1 0 0 0 0 20 13 1 0 0 0 0 21 23 1 0 0 0 0 22 15 1 0 0 0 0 23 24 1 0 0 0 0 24 22 1 0 0 0 0 6 3 1 0 0 0 0 8 7 1 0 0 0 0 M CHG 2 1 1 10 -1 M END > (S2012) S2012 > (S2012) 1-(5-carboxypentyl)-2,3,3-trimethyl-3H-indolium-5-sulfonate > (S2012) 146368-08-3 > (S2012) AC; HC; DY; SA > (S2012) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 3.7250 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4417 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -5.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 7 3 1 0 0 0 0 M END > (S2034) S2034 > (S2034) (2E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)acetaldehyde > (S2034) 59820-19-8 > (S2034) AK; DY > (S2034) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 5.9667 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -6.9917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6792 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -6.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -7.9375 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 3.1167 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -8.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 17 10 1 0 0 0 0 18 10 2 0 0 0 0 19 11 1 0 0 0 0 20 11 2 0 0 0 0 21 16 1 0 0 0 0 22 15 2 0 0 0 0 23 20 1 0 0 0 0 24 19 2 0 0 0 0 25 18 1 0 0 0 0 26 17 2 0 0 0 0 27 25 2 0 0 0 0 28 21 2 0 0 0 0 29 23 2 0 0 0 0 12 14 1 0 0 0 0 28 22 1 0 0 0 0 27 26 1 0 0 0 0 29 24 1 0 0 0 0 M CHG 2 2 1 9 -1 M END > (S2037) S2037 > (S2037) N-((E)-{3-[(E)-anilinomethylidene]-2-phenyl-1-cyclohexen-1-yl}methylidene)benzenaminium chloride > (S2037) DY > (S2037) true $$$$ -ISIS- 11270914432D 59 65 0 0 0 0 0 0 0 0999 V2000 2.3625 -7.3000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.8292 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5875 -7.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9167 -6.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0292 -6.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2250 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -8.9750 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.4042 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -7.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -3.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9667 -3.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -9.7667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -9.3875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -9.3875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -8.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.6667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -2.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -8.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -8.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -8.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3542 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -8.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5417 -8.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 16 2 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 9 1 0 0 0 0 20 8 1 0 0 0 0 21 4 1 0 0 0 0 22 10 1 0 0 0 0 23 13 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 26 1 1 0 0 0 0 27 19 1 0 0 0 0 28 29 1 0 0 0 0 29 21 2 0 0 0 0 30 22 2 0 0 0 0 31 23 2 0 0 0 0 32 23 1 0 0 0 0 33 14 1 0 0 0 0 34 14 1 0 0 0 0 35 14 1 0 0 0 0 36 14 1 0 0 0 0 37 5 1 0 0 0 0 38 6 1 0 0 0 0 39 6 1 0 0 0 0 40 7 1 0 0 0 0 41 7 1 0 0 0 0 42 46 1 0 0 0 0 43 24 1 0 0 0 0 44 24 1 0 0 0 0 45 31 1 0 0 0 0 46 32 2 0 0 0 0 47 51 1 0 0 0 0 48 16 1 0 0 0 0 49 19 2 0 0 0 0 50 20 2 0 0 0 0 51 48 1 0 0 0 0 52 28 2 0 0 0 0 53 27 2 0 0 0 0 54 26 1 0 0 0 0 55 37 1 0 0 0 0 56 50 1 0 0 0 0 57 49 1 0 0 0 0 58 57 2 0 0 0 0 59 52 1 0 0 0 0 7 8 1 0 0 0 0 28 20 1 0 0 0 0 56 59 2 0 0 0 0 47 18 1 0 0 0 0 42 45 2 0 0 0 0 9 10 2 0 0 0 0 30 27 1 0 0 0 0 53 58 1 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S2041) S2041 > (S2041) 2-((E)-2-{2-[4-(difluoromethoxy)phenyl]-3-[(E)-2-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl}ethenyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indolium tetrafluor oborate > (S2041) DY > (S2041) true $$$$ -ISIS- 11270914432D 53 58 0 0 0 0 0 0 0 0999 V2000 -0.1833 -2.6667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -2.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7292 -1.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7167 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2958 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -4.5542 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 -0.7083 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -1.1750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2917 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -4.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -3.7292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -5.3542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0292 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 5 19 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 18 2 0 0 0 0 15 25 2 0 0 0 0 16 2 1 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 22 1 0 0 0 0 20 6 1 0 0 0 0 21 27 1 0 0 0 0 22 24 2 0 0 0 0 23 20 2 0 0 0 0 24 14 1 0 0 0 0 25 23 1 0 0 0 0 26 21 1 0 0 0 0 27 15 1 0 0 0 0 28 1 1 0 0 0 0 29 31 1 0 0 0 0 30 13 1 0 0 0 0 31 16 2 0 0 0 0 32 17 2 0 0 0 0 33 11 1 0 0 0 0 34 11 1 0 0 0 0 35 11 1 0 0 0 0 36 11 1 0 0 0 0 37 3 1 0 0 0 0 38 4 1 0 0 0 0 39 4 1 0 0 0 0 40 7 1 0 0 0 0 41 7 1 0 0 0 0 42 13 2 0 0 0 0 43 12 2 0 0 0 0 44 21 1 0 0 0 0 45 21 1 0 0 0 0 46 29 2 0 0 0 0 47 30 2 0 0 0 0 48 28 1 0 0 0 0 49 37 1 0 0 0 0 50 43 1 0 0 0 0 51 42 1 0 0 0 0 52 51 2 0 0 0 0 53 46 1 0 0 0 0 8 7 1 0 0 0 0 12 29 1 0 0 0 0 53 50 2 0 0 0 0 26 14 1 0 0 0 0 10 9 2 0 0 0 0 30 32 1 0 0 0 0 52 47 1 0 0 0 0 M CHG 2 1 1 11 -1 M END > (S2056) S2056 > (S2056) 3-ethyl-2-((E)-3-{3-[(E)-3-(3-ethyl-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}-1-propenyl)-1,1-dimethyl-1H-benzo[e]indolium tetrafluoroborate > (S2056) DY > (S2056) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 6.0042 -5.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4875 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 9 2 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 3 2 1 0 0 0 0 6 7 1 0 0 0 0 16 18 2 0 0 0 0 M END > (S2059) S2059 > (S2059) 2,3,3-trimethyl-5-phenyl-3H-indole > (S2059) 294655-87-1 > (S2059) HC; DY > (S2059) true $$$$ -ISIS- 11270914432D 57 63 0 0 0 0 0 0 0 0999 V2000 3.5667 -6.6917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9542 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -6.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6167 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -5.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -8.8542 0.0000 B 0 5 0 0 0 0 0 0 0 0 0 0 7.6542 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -2.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8042 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -9.2292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -9.2292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -8.1042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -9.5750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -2.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -1.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -7.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -6.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -8.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -9.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -9.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 15 16 2 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 22 1 1 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 25 19 1 0 0 0 0 26 19 2 0 0 0 0 27 14 1 0 0 0 0 28 14 1 0 0 0 0 29 14 1 0 0 0 0 30 14 1 0 0 0 0 31 4 1 0 0 0 0 32 39 2 0 0 0 0 33 20 1 0 0 0 0 34 20 1 0 0 0 0 35 5 2 0 0 0 0 36 6 2 0 0 0 0 37 7 1 0 0 0 0 38 8 1 0 0 0 0 39 26 1 0 0 0 0 40 25 2 0 0 0 0 41 47 1 0 0 0 0 42 18 1 0 0 0 0 43 35 1 0 0 0 0 44 38 2 0 0 0 0 45 36 1 0 0 0 0 46 37 2 0 0 0 0 47 42 1 0 0 0 0 48 23 2 0 0 0 0 49 43 2 0 0 0 0 50 24 1 0 0 0 0 51 46 1 0 0 0 0 52 22 1 0 0 0 0 53 31 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 56 55 1 0 0 0 0 57 54 1 0 0 0 0 9 8 2 0 0 0 0 23 49 1 0 0 0 0 48 44 1 0 0 0 0 41 16 1 0 0 0 0 32 40 1 0 0 0 0 6 10 1 0 0 0 0 51 24 2 0 0 0 0 45 50 2 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S2085) S2085 > (S2085) 1-butyl-2-((E)-2-{3-{(E)-2-[1-butylbenzo[cd]indol-2(1H)-ylidene]ethylidene}-2-[4-(difluoromethoxy)phenyl]-1-cyclohexen-1-yl}ethenyl)benzo[cd]indolium tetrafluoroborate > (S2085) DY > (S2085) true $$$$ -ISIS- 11270914432D 40 44 0 0 0 0 0 0 0 0999 V2000 8.4125 -4.7792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5667 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -5.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -7.3875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5667 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -6.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0667 -6.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1042 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -8.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -5.0875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9750 -7.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -3.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8917 -8.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6667 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -8.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 10 2 0 0 0 0 4 9 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 1 1 0 0 0 0 14 6 1 0 0 0 0 15 13 2 0 0 0 0 16 11 1 0 0 0 0 17 1 1 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 20 8 2 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 11 1 0 0 0 0 24 11 1 0 0 0 0 25 12 1 0 0 0 0 26 12 1 0 0 0 0 27 13 1 0 0 0 0 28 14 1 0 0 0 0 29 16 1 0 0 0 0 30 15 1 0 0 0 0 31 21 1 0 0 0 0 32 21 1 0 0 0 0 33 21 1 0 0 0 0 34 22 1 0 0 0 0 35 22 1 0 0 0 0 36 22 1 0 0 0 0 37 28 2 0 0 0 0 38 39 1 0 0 0 0 39 27 2 0 0 0 0 40 29 2 0 0 0 0 12 15 1 0 0 0 0 30 38 2 0 0 0 0 2 7 2 0 0 0 0 14 16 2 0 0 0 0 40 37 1 0 0 0 0 M CHG 2 1 1 19 -1 M END > (S2090) S2090 > (S2090) 2-[(3,3-dimethyl-1-neopentyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-4-[(Z)-(3,3-dimethyl-1-neopentyl-3H-indolium-2-yl)methylidene]-3-oxo-1-cyclobuten-1-olate > (S2090) DY > (S2090) true $$$$ -ISIS- 11270914432D 50 54 0 0 0 0 0 0 0 0999 V2000 8.4125 -4.8167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5667 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -7.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5667 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -6.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0667 -6.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8875 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -3.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8917 -8.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6292 -7.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3042 -5.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5875 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -5.1250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4792 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -5.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8417 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -2.7750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -3.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -9.1042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -8.4375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -9.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4375 -8.5375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -8.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 -8.5125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -5.6417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -4.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -6.2292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 11 2 0 0 0 0 4 9 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 10 2 0 0 0 0 15 12 1 0 0 0 0 16 6 1 0 0 0 0 17 1 1 0 0 0 0 18 17 1 0 0 0 0 19 22 1 0 0 0 0 20 30 1 0 0 0 0 21 29 1 0 0 0 0 22 6 1 0 0 0 0 23 10 1 0 0 0 0 24 16 1 0 0 0 0 25 7 1 0 0 0 0 26 15 1 0 0 0 0 27 14 1 0 0 0 0 28 8 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 26 2 0 0 0 0 32 46 1 0 0 0 0 33 18 1 0 0 0 0 34 18 1 0 0 0 0 35 18 1 0 0 0 0 36 19 1 0 0 0 0 37 19 1 0 0 0 0 38 19 1 0 0 0 0 39 20 1 0 0 0 0 40 20 1 0 0 0 0 41 20 1 0 0 0 0 42 21 1 0 0 0 0 43 21 1 0 0 0 0 44 21 1 0 0 0 0 45 24 2 0 0 0 0 46 23 2 0 0 0 0 47 12 1 0 0 0 0 48 12 1 0 0 0 0 49 13 1 0 0 0 0 50 13 1 0 0 0 0 13 14 1 0 0 0 0 27 32 2 0 0 0 0 2 7 2 0 0 0 0 16 15 2 0 0 0 0 31 45 1 0 0 0 0 M CHG 2 1 1 25 -1 M END > (S2091) S2091 > (S2091) 2-{[3,3-dimethyl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)-1,3-dihydro-2H-indol-2-ylidene]methyl}-4-{(Z)-[3,3-dimethyl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethoxy)-3H-indolium-2-yl]methylidene}-3 -oxo-1-cyclobuten-1-olate > (S2091) DY > (S2091) true $$$$ -ISIS- 12091012012D 28 30 0 0 0 0 0 0 0 0999 V2000 1.1125 -2.0042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8125 -2.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8125 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.3250 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 1 2 0 0 0 0 11 15 2 0 0 0 0 12 14 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 1 1 0 0 0 0 17 2 1 0 0 0 0 18 3 1 0 0 0 0 19 5 1 0 0 0 0 20 4 2 0 0 0 0 21 9 2 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 25 1 0 0 0 0 25 19 2 0 0 0 0 26 27 2 0 0 0 0 27 20 1 0 0 0 0 9 11 1 0 0 0 0 26 21 1 0 0 0 0 3 2 1 0 0 0 0 18 24 2 0 0 0 0 M CHG 2 1 1 28 -1 M END > (S2218) S2218 > (S2218) 1-ethyl-4-{(E)-3-[1-ethyl-4(1H)-quinolinylidene]-1-propenyl}quinolinium iodide > (S2218) 4727-50-8 > (S2218) DY > (S2218) Cryptocyanine > (S2218) true $$$$ -ISIS- 07201111452D 23 24 0 0 0 0 0 0 0 0999 V2000 7.8375 -4.6000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3167 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -3.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5542 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0417 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8667 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0917 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2792 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2750 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -4.7542 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 10 1 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 4 2 0 0 0 0 17 5 2 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 10 1 0 0 0 0 21 16 1 0 0 0 0 22 21 2 0 0 0 0 3 5 1 0 0 0 0 17 22 1 0 0 0 0 12 8 2 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S2219) S2219 > (S2219) 2-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-3-ethyl-1,3-benzothiazol-3-ium iodide > (S2219) - > (S2219) DY > (S2219) true $$$$ -ISIS- 07201111452D 38 41 0 0 0 0 0 0 0 0999 V2000 2.0167 -2.3917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.5667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1917 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.6417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0167 -0.6125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 10 9 2 0 0 0 0 13 14 1 0 0 0 0 14 22 2 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 12 2 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 23 2 0 0 0 0 22 21 1 0 0 0 0 23 18 1 0 0 0 0 24 16 1 0 0 0 0 25 18 1 0 0 0 0 26 25 2 0 0 0 0 27 12 1 0 0 0 0 28 13 1 0 0 0 0 29 15 1 0 0 0 0 30 16 2 0 0 0 0 31 20 1 0 0 0 0 32 24 2 0 0 0 0 33 27 1 0 0 0 0 34 28 1 0 0 0 0 35 29 2 0 0 0 0 36 30 1 0 0 0 0 37 31 2 0 0 0 0 38 36 2 0 0 0 0 26 24 1 0 0 0 0 32 38 1 0 0 0 0 20 15 2 0 0 0 0 35 37 1 0 0 0 0 M CHG 2 3 -1 12 1 M END > (S2222) S2222 > (S2222) 1-ethyl-2-[(1E,3E)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium 4-methylbenzenesulfonate > (S2222) - > (S2222) DY > (S2222) true $$$$ -ISIS- 12091012012D 38 39 0 0 0 0 0 0 0 0999 V2000 8.2125 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -7.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7958 -6.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5667 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -7.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -5.9833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1958 -8.7833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7667 -4.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -6.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -9.5667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0833 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -5.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -8.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 -8.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -8.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -6.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -4.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0333 -5.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 -8.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -9.5292 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 16 2 0 0 0 0 8 7 1 0 0 0 0 9 25 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 1 2 0 0 0 0 14 4 2 0 0 0 0 15 9 1 0 0 0 0 16 22 1 0 0 0 0 17 6 2 0 0 0 0 18 5 2 0 0 0 0 19 9 2 0 0 0 0 20 9 2 0 0 0 0 21 14 1 0 0 0 0 22 21 2 0 0 0 0 23 3 1 0 0 0 0 24 2 1 0 0 0 0 25 27 1 0 0 0 0 26 8 1 0 0 0 0 27 26 1 0 0 0 0 28 11 2 0 0 0 0 29 12 2 0 0 0 0 30 24 1 0 0 0 0 31 23 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 28 1 0 0 0 0 35 29 1 0 0 0 0 36 32 1 0 0 0 0 37 33 1 0 0 0 0 5 4 1 0 0 0 0 11 12 1 0 0 0 0 34 35 2 0 0 0 0 M CHG 2 15 -1 38 1 M END > (S3038) S3038 > (S3038) Merocyanine 540 > (S3038) 62796-23-0 > (S3038) DY > (S3038) true $$$$ -ISIS- 06091114552D 27 30 0 0 0 0 0 0 0 0999 V2000 5.7375 -7.5708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.7250 -6.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2208 -6.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -5.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -8.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -8.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1583 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -4.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -4.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -4.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -6.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -4.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -6.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -3.4500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -7.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 7 2 0 0 0 0 11 6 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 7 1 0 0 0 0 15 6 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 15 2 0 0 0 0 19 14 2 0 0 0 0 20 4 2 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 5 2 0 0 0 0 24 13 1 0 0 0 0 25 12 1 0 0 0 0 26 27 2 0 0 0 0 27 23 1 0 0 0 0 4 2 1 0 0 0 0 26 20 1 0 0 0 0 17 12 2 0 0 0 0 16 13 2 0 0 0 0 M END > (S3752) S3752 > (S3752) Chlorophenol red > (S3752) 4430-20-0 > (S3752) DY > (S3752) true $$$$ -ISIS- 12091012012D 34 36 0 0 0 0 0 0 0 0999 V2000 2.7625 -3.5792 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8042 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -3.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9917 -2.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -2.4250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9625 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -7.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 -7.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -8.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 -7.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 16 1 1 0 0 0 0 17 4 1 0 0 0 0 18 7 1 0 0 0 0 19 8 1 0 0 0 0 20 10 1 0 0 0 0 21 9 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 19 2 0 0 0 0 25 18 2 0 0 0 0 26 20 2 0 0 0 0 27 25 1 0 0 0 0 28 23 1 0 0 0 0 29 22 1 0 0 0 0 6 9 1 0 0 0 0 21 27 2 0 0 0 0 10 8 2 0 0 0 0 26 24 1 0 0 0 0 2 11 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 30 31 2 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 M CHG 2 1 1 34 -1 M END > (S3769) S3769 > (S3769) 3-Propyl-2-{5-[3-propyl-1,3-benzothiazol-2(3H)-ylidene]-1,3-pentadienyl}-1,3-benzothiazol-3-ium perchlorate > (S3769) - > (S3769) 568.0 > (S3769) DY > (S3769) true $$$$ -ISIS- 06091114552D 27 29 0 0 0 0 0 0 0 0999 V2000 5.9667 -12.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -13.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -13.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -11.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -14.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -13.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -13.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -14.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -12.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -11.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -11.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -13.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -14.3417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3917 -14.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -13.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -12.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -11.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -15.1417 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 8.1042 -13.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -13.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -12.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -11.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -14.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -11.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -10.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 10 1 0 0 0 0 12 15 1 0 0 0 0 13 12 2 0 0 0 0 14 6 1 0 0 0 0 15 9 2 0 0 0 0 16 7 1 0 0 0 0 17 11 2 0 0 0 0 19 20 1 0 0 0 0 20 16 2 0 0 0 0 21 11 1 0 0 0 0 22 4 1 0 0 0 0 23 19 1 0 0 0 0 24 10 1 0 0 0 0 25 21 1 0 0 0 0 26 22 2 0 0 0 0 27 26 1 0 0 0 0 2 5 1 0 0 0 0 14 19 2 0 0 0 0 24 27 2 0 0 0 0 8 12 1 0 0 0 0 M CHG 2 13 1 18 -1 M END > (S3815) S3815 > (S3815) Rhodamin 123; 6-amino-9-[2-(methoxycarbonyl)phenyl]-3H-xanthen-3-iminium chloride > (S3815) 62669-70-9 > (S3815) DY > (S3815) true $$$$ -ISIS- 06091114552D 32 33 0 0 0 0 0 0 0 0999 V2000 6.4875 -3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -3.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.5958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -7.5583 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7875 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -7.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -6.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -10.0333 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.0667 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -6.7875 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 7.9167 -7.8125 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 5.7875 -6.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -8.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -8.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -9.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -7.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -9.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -10.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 1 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 12 9 1 0 0 0 0 13 21 1 0 0 0 0 14 12 2 0 0 0 0 17 11 2 0 0 0 0 18 4 1 0 0 0 0 19 18 1 0 0 0 0 20 2 1 0 0 0 0 21 19 1 0 0 0 0 22 5 1 0 0 0 0 23 6 1 0 0 0 0 24 7 2 0 0 0 0 25 8 2 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 13 1 0 0 0 0 29 22 2 0 0 0 0 30 23 2 0 0 0 0 31 25 1 0 0 0 0 32 31 2 0 0 0 0 5 6 2 0 0 0 0 30 29 1 0 0 0 0 10 4 2 0 0 0 0 24 32 1 0 0 0 0 M CHG 4 4 1 13 1 15 -1 16 -1 M END > (S3830) S3830 > (S3830) 4-[(1E,3E)-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]quinolinium dibromide > (S3830) - > (S3830) DY > (S3830) true $$$$ -ISIS- 06091114552D 32 33 0 0 0 0 0 0 0 0999 V2000 6.4875 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -3.4083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5708 -2.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -7.2167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7875 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -9.6917 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.0667 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -6.4417 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 7.9167 -7.4667 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 5.7875 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -8.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -9.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -10.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -6.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 9 1 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 12 9 1 0 0 0 0 13 21 1 0 0 0 0 14 12 2 0 0 0 0 17 11 2 0 0 0 0 18 4 1 0 0 0 0 19 18 1 0 0 0 0 20 2 1 0 0 0 0 21 19 1 0 0 0 0 22 5 1 0 0 0 0 23 6 1 0 0 0 0 24 7 2 0 0 0 0 25 8 2 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 13 1 0 0 0 0 29 22 2 0 0 0 0 30 23 2 0 0 0 0 31 25 1 0 0 0 0 32 31 2 0 0 0 0 5 6 2 0 0 0 0 30 29 1 0 0 0 0 10 4 2 0 0 0 0 24 32 1 0 0 0 0 M CHG 4 4 1 13 1 15 -1 16 -1 M END > (S3831) S3831 > (S3831) 4-[(1E,3E)-3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide > (S3831) - > (S3831) DY > (S3831) true $$$$ -ISIS- 06091114552D 26 29 0 0 0 0 0 0 0 0999 V2000 6.9167 -7.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -7.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4250 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -10.5583 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6917 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -7.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -11.3375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5000 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 -9.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -5.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -7.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -10.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4833 -5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1208 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7333 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -4.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 15 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 7 2 0 0 0 0 13 6 2 0 0 0 0 14 3 1 0 0 0 0 15 18 1 0 0 0 0 16 9 2 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 8 1 0 0 0 0 20 23 1 0 0 0 0 21 14 2 0 0 0 0 22 14 1 0 0 0 0 23 18 2 0 0 0 0 24 21 1 0 0 0 0 25 22 2 0 0 0 0 26 24 2 0 0 0 0 2 5 1 0 0 0 0 16 17 1 0 0 0 0 25 26 1 0 0 0 0 19 20 2 0 0 0 0 M CHG 2 6 1 11 -1 M END > (S3860) S3860 > (S3860) 3-[(E)-2-(3-nitrophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine > (S3860) - > (S3860) DY > (S3860) true $$$$ -ISIS- 06091114552D 28 30 0 0 0 0 0 0 0 0999 V2000 8.1167 -6.1125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8292 -6.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5500 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -5.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -7.1375 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.4000 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 11 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 5 2 0 0 0 0 15 7 1 0 0 0 0 16 15 2 0 0 0 0 17 1 1 0 0 0 0 18 2 1 0 0 0 0 19 4 2 0 0 0 0 20 5 1 0 0 0 0 21 9 2 0 0 0 0 22 13 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 20 2 0 0 0 0 27 21 1 0 0 0 0 28 26 1 0 0 0 0 13 16 1 0 0 0 0 28 22 2 0 0 0 0 9 4 1 0 0 0 0 27 25 2 0 0 0 0 M CHG 2 1 1 14 -1 M END > (S3902) S3902 > (S3902) 1-ethyl-2-[(1E,3E)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-enyl]quinolinium chloride > (S3902) 2768-90-3 > (S3902) DY > (S3902) true $$$$ -ISIS- 06091114552D 57 63 0 0 0 0 0 0 0 0999 V2000 2.4667 -6.5917 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.8792 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -10.6125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.6167 -6.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -5.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -5.3667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -4.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3667 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -11.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0417 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -10.1917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2125 -9.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -11.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -11.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7375 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1292 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -12.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -11.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -5.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3292 -5.2542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -11.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -4.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -12.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -7.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 16 2 0 0 0 0 3 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 14 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 19 1 0 0 0 0 15 8 1 0 0 0 0 16 18 1 0 0 0 0 17 3 1 0 0 0 0 18 15 2 0 0 0 0 19 17 2 0 0 0 0 20 4 1 0 0 0 0 21 6 1 0 0 0 0 22 10 1 0 0 0 0 23 4 1 0 0 0 0 24 4 2 0 0 0 0 25 4 2 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 29 1 0 0 0 0 29 14 1 0 0 0 0 30 11 1 0 0 0 0 31 12 1 0 0 0 0 32 1 1 0 0 0 0 33 20 1 0 0 0 0 34 20 2 0 0 0 0 35 22 2 0 0 0 0 36 21 2 0 0 0 0 37 5 1 0 0 0 0 38 31 2 0 0 0 0 39 36 1 0 0 0 0 40 33 2 0 0 0 0 41 34 1 0 0 0 0 42 36 1 0 0 0 0 43 35 1 0 0 0 0 44 41 2 0 0 0 0 45 26 2 0 0 0 0 46 26 1 0 0 0 0 47 27 2 0 0 0 0 48 27 1 0 0 0 0 49 44 1 0 0 0 0 50 32 1 0 0 0 0 51 37 1 0 0 0 0 52 45 1 0 0 0 0 53 46 2 0 0 0 0 54 47 1 0 0 0 0 55 48 2 0 0 0 0 56 55 1 0 0 0 0 57 53 1 0 0 0 0 9 11 1 0 0 0 0 30 39 2 0 0 0 0 28 15 1 0 0 0 0 57 52 2 0 0 0 0 56 54 2 0 0 0 0 12 10 2 0 0 0 0 38 35 1 0 0 0 0 40 44 1 0 0 0 0 M CHG 2 1 1 23 -1 M END > (S4003) S4003 > (S4003) IR 140 Tosylate > (S4003) DY > (S4003) true $$$$ -ISIS- 06091114552D 61 67 0 0 0 0 0 0 0 0999 V2000 2.0917 -8.0167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.8875 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -7.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7417 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -8.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -11.2042 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0 7.4500 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -8.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -8.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9875 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -9.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0417 -10.3792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -11.6125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -11.7875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -12.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -10.7875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -10.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9250 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9542 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2667 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8042 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -9.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -9.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -10.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -10.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -10.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 17 1 0 0 0 0 15 3 1 0 0 0 0 17 7 2 0 0 0 0 18 15 2 0 0 0 0 19 11 1 0 0 0 0 20 25 1 0 0 0 0 21 8 1 0 0 0 0 22 1 1 0 0 0 0 23 13 1 0 0 0 0 24 12 1 0 0 0 0 25 21 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 16 1 0 0 0 0 29 16 1 0 0 0 0 30 16 1 0 0 0 0 31 16 1 0 0 0 0 32 19 1 0 0 0 0 33 19 2 0 0 0 0 34 4 1 0 0 0 0 35 5 2 0 0 0 0 36 6 1 0 0 0 0 37 9 2 0 0 0 0 38 10 1 0 0 0 0 39 41 2 0 0 0 0 40 32 2 0 0 0 0 41 33 1 0 0 0 0 42 39 1 0 0 0 0 43 35 1 0 0 0 0 44 37 1 0 0 0 0 45 36 2 0 0 0 0 46 38 2 0 0 0 0 47 44 2 0 0 0 0 48 23 2 0 0 0 0 49 43 2 0 0 0 0 50 24 2 0 0 0 0 51 25 1 0 0 0 0 52 42 1 0 0 0 0 53 22 1 0 0 0 0 54 34 1 0 0 0 0 55 52 1 0 0 0 0 56 55 1 0 0 0 0 57 54 1 0 0 0 0 58 53 1 0 0 0 0 59 56 1 0 0 0 0 60 58 1 0 0 0 0 61 57 1 0 0 0 0 10 12 2 0 0 0 0 49 24 1 0 0 0 0 50 46 1 0 0 0 0 20 7 1 0 0 0 0 40 39 1 0 0 0 0 6 13 2 0 0 0 0 47 23 1 0 0 0 0 48 45 1 0 0 0 0 M CHG 2 1 1 16 -1 M END > (S4005) S4005 > (S4005) 2-((E)-2-{(3E)-2-(4-butoxyphenyl)-3-[(2E)-2-(1-butylbenzo[cd]indol-2(1H)-ylidene)ethylidene]-5-methylcyclohex-1-en-1-yl}vinyl)-1-butylbenzo[cd]indolium hexafluorophosphate > (S4005) DY > (S4005) true $$$$ -ISIS- 06091114552D 28 31 0 0 0 0 0 0 0 0999 V2000 -2.3973 -12.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 -13.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 -14.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6854 -12.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -12.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 -13.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 -14.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 -12.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4616 -12.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4599 -13.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1723 -14.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 -13.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8845 -12.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 -12.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -14.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -15.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 -16.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2617 -16.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 -16.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 -15.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 -12.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1118 -12.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 -14.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 -15.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1645 -14.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 -16.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 -16.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6915 -17.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 16 2 0 0 0 0 6 7 1 0 0 0 0 16 17 1 0 0 0 0 7 10 2 0 0 0 0 17 18 2 0 0 0 0 9 8 1 0 0 0 0 18 19 1 0 0 0 0 5 4 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 7 15 1 0 0 0 0 4 1 1 0 0 0 0 13 21 2 0 0 0 0 9 10 1 0 0 0 0 1 22 1 0 0 0 0 20 23 1 0 0 0 0 17 26 1 0 0 0 0 5 6 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 2 3 1 0 0 0 0 12 13 1 0 0 0 0 3 6 2 0 0 0 0 13 14 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 14 9 2 0 0 0 0 1 2 2 0 0 0 0 5 8 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 G 23 20 CO2H G 26 17 CO2H M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 23 24 25 M SBL 1 1 16 M SMT 1 CO2H M SBV 1 16 -0.7100 -0.4200 M SAL 2 3 26 27 28 M SBL 2 1 17 M SMT 2 CO2H M SBV 2 17 0.7200 0.4100 M END > (S4013) S4013 > (S4013) 6-Carboxyfluorescein . 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)terephthalic acid 3',6'-Dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid > (S4013) DY > (S4013) true $$$$ -ISIS- 06091114552D 28 31 0 0 0 0 0 0 0 0999 V2000 7.0944 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0932 -1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8081 -1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8063 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 -0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5205 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2334 -1.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 -0.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9533 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9516 -1.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6639 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3784 -1.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3761 -0.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6632 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2326 -2.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5162 -3.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5153 -3.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2300 -4.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9471 -3.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9445 -3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0893 -0.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -0.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6582 -2.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3731 -3.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6561 -1.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2305 -5.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 -5.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9490 -5.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 16 2 0 0 0 0 6 7 1 0 0 0 0 16 17 1 0 0 0 0 7 10 2 0 0 0 0 17 18 2 0 0 0 0 9 8 1 0 0 0 0 18 19 1 0 0 0 0 5 4 2 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 7 15 1 0 0 0 0 4 1 1 0 0 0 0 13 21 2 0 0 0 0 9 10 1 0 0 0 0 1 22 1 0 0 0 0 20 23 1 0 0 0 0 18 26 1 0 0 0 0 5 6 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 2 3 1 0 0 0 0 12 13 1 0 0 0 0 3 6 2 0 0 0 0 13 14 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 14 9 2 0 0 0 0 1 2 2 0 0 0 0 5 8 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 G 23 20 CO2H G 26 18 CO2H M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 23 24 25 M SBL 1 1 16 M SMT 1 CO2H M SBV 1 16 -0.7100 -0.4200 M SAL 2 3 26 27 28 M SBL 2 1 17 M SMT 2 CO2H M SBV 2 17 0.0000 0.8200 M END > (S4014) S4014 > (S4014) 5-Carboxyfluorescein . 4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)isophthalic acid > (S4014) DY > (S4014) true $$$$ -ISIS- 07201111452D 36 37 0 0 0 0 0 0 0 0999 V2000 5.1792 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -7.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.8917 -5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -7.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -8.2292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2625 -7.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -3.7042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -9.4042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0000 -5.7167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -6.3417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -4.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -3.8792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -7.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -8.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -10.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -8.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 11 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 4 2 0 0 0 0 13 12 1 0 0 0 0 14 16 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 3 1 0 0 0 0 18 3 2 0 0 0 0 19 3 2 0 0 0 0 20 7 2 0 0 0 0 21 6 1 0 0 0 0 23 10 1 0 0 0 0 24 13 1 0 0 0 0 25 14 1 0 0 0 0 26 16 1 0 0 0 0 27 5 1 0 0 0 0 28 9 2 0 0 0 0 29 12 1 0 0 0 0 30 11 2 0 0 0 0 31 28 1 0 0 0 0 32 31 2 0 0 0 0 33 22 1 0 0 0 0 34 22 1 0 0 0 0 35 22 1 0 0 0 0 36 22 1 0 0 0 0 10 7 1 0 0 0 0 13 14 2 0 0 0 0 32 30 1 0 0 0 0 M CHG 2 17 -1 22 1 M END > (S4137) S4137 > (S4137) ammonium 2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate > (S4137) DY > (S4137) true $$$$