-ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 0.8875 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.1208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -0.7167 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 3 1 0 0 0 0 6 1 2 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 14 12 1 0 0 0 0 8 11 1 0 0 0 0 4 7 1 0 0 0 0 M END > (S0612) S0612 > (S0612) 7-methoxy-4-methyl-2-quinolinethiol > (S0612) 52507-57-0 > (S0612) HC; SH; Q > (S0612) 2-quinolinethiol, 7-methoxy-4-methyl- > (S0612) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 2.8500 -1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.7000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 6 4 2 0 0 0 0 10 12 1 0 0 0 0 M END > (S0618) S0618 > (S0618) 4-Methylquinoline-2-thiol > (S0618) 4437-65-4 > (S0618) HC; SH; Q > (S0618) 2-Quinolinethiol, 4-methyl- > (S0618) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 2.9417 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -0.8417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 7 5 2 0 0 0 0 9 11 1 0 0 0 0 M END > (S0637) S0637 > (S0637) 2-quinolinethiol > (S0637) 2637-37-8 > (S0637) HC; SH; Q > (S0637) 2-mercaptoquinoline > (S0637) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.3792 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 5 2 0 0 0 0 12 10 1 0 0 0 0 13 12 2 0 0 0 0 6 4 2 0 0 0 0 11 13 1 0 0 0 0 M END > (S0731) S0731 > (S0731) 2-hydrazino-4-methylquinoline > (S0731) 21703-52-6 > (S0731) AM; HC; Q > (S0731) quinoline, 2-hydrazino-4-methyl- > (S0731) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 1.1417 0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 3 2 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 7 6 2 0 0 0 0 10 12 1 0 0 0 0 M END > (S0732) S0732 > (S0732) 2-hydrazinoquinoline > (S0732) 15793-77-8 > (S0732) AM; HC; Q > (S0732) quinoline, 2-hydrazino- > (S0732) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 1.0042 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 5 1 0 0 0 0 14 12 1 0 0 0 0 8 11 1 0 0 0 0 4 7 1 0 0 0 0 M END > (S0734) S0734 > (S0734) 2-chloro-7-methoxy-4-methylquinoline > (S0734) 97892-67-6 > (S0734) HA; HC; Q > (S0734) quinoline, 2-chloro-7-methoxy-4-methyl- > (S0734) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 1.1792 0.7500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9417 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 1.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 14 2 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 15 2 1 0 0 0 0 16 5 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 15 2 0 0 0 0 20 8 2 0 0 0 0 21 19 1 0 0 0 0 22 12 1 0 0 0 0 23 22 2 0 0 0 0 9 13 1 0 0 0 0 21 12 2 0 0 0 0 23 20 1 0 0 0 0 M END > (S0969) S0969 > (S0969) 4-[(8-quinolinylsulfonyl)amino]benzoic acid > (S0969) 116834-64-1 > (S0969) AC; HC; SA; Q > (S0969) benzoic acid, 4-[(8-quinolinylsulfonyl)amino]- > (S0969) true $$$$ -ISIS- 11270914432D 24 26 0 0 0 0 0 0 0 0999 V2000 1.9375 1.3750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0042 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 2.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 9 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 13 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 4 1 0 0 0 0 15 2 1 0 0 0 0 16 5 1 0 0 0 0 17 14 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 15 2 0 0 0 0 21 8 2 0 0 0 0 22 20 1 0 0 0 0 23 11 1 0 0 0 0 24 23 2 0 0 0 0 22 11 2 0 0 0 0 9 12 2 0 0 0 0 24 21 1 0 0 0 0 M END > (S0970) S0970 > (S0970) 4-{[(8-quinolinylsulfonyl)amino]methyl}benzoic acid > (S0970) 885269-60-3 > (S0970) AC; HC; SA; Q > (S0970) benzoic acid, 4-[[(8-quinolinylsulfonyl)amino]methyl]- > (S0970) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.9542 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8167 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 12 2 0 0 0 0 15 9 2 0 0 0 0 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 17 2 0 0 0 0 11 16 2 0 0 0 0 15 18 1 0 0 0 0 M END > (S0971) S0971 > (S0971) 2-[(8-quinolinylsulfonyl)amino]acetic acid > (S0971) 115241-94-6 > (S0971) HC; AA; SA; Q > (S0971) glycine, N-(8-quinolinylsulfonyl)- > (S0971) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 1.3500 0.8833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1792 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.1583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5250 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 2 1 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 12 2 0 0 0 0 16 9 2 0 0 0 0 17 15 1 0 0 0 0 18 11 1 0 0 0 0 19 18 2 0 0 0 0 17 11 2 0 0 0 0 19 16 1 0 0 0 0 M END > (S0972) S0972 > (S0972) N-(8-quinolinylsulfonyl)alanine > (S0972) HC; AA; SA; Q > (S0972) alanine, N-(8-quinolinylsulfonyl)- > (S0972) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.3917 1.6833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.2167 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 1.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7417 2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 2.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5750 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 9 2 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 18 2 0 0 0 0 12 17 2 0 0 0 0 16 21 1 0 0 0 0 M END > (S0973) S0973 > (S0973) N-(8-quinolinylsulfonyl)valine > (S0973) 87650-59-7 > (S0973) HC; AA; SA; Q > (S0973) valine, N-(8-quinolinylsulfonyl)- > (S0973) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 1.3417 0.1500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0917 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6167 0.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 1.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 13 2 0 0 0 0 17 9 2 0 0 0 0 18 16 1 0 0 0 0 19 11 1 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 19 2 0 0 0 0 23 20 1 0 0 0 0 18 11 2 0 0 0 0 21 23 1 0 0 0 0 22 17 1 0 0 0 0 M END > (S0974) S0974 > (S0974) 1-[(8-quinolinylsulfonyl)amino]cyclohexanecarboxylic acid > (S0974) 274686-05-4 > (S0974) AC; HC; SA; Q > (S0974) cyclohexanecarboxylic acid, 1-[(8-quinolinylsulfonyl)amino]- > (S0974) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3042 1.4708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1417 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 2.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3417 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 13 2 0 0 0 0 16 10 1 0 0 0 0 17 9 2 0 0 0 0 18 15 1 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 22 19 2 0 0 0 0 18 12 2 0 0 0 0 22 17 1 0 0 0 0 M END > (S0975) S0975 > (S0975) N-(8-quinolinylsulfonyl)leucine > (S0975) HC; AA; SA; Q > (S0975) leucine, N-(8-quinolinylsulfonyl)- > (S0975) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 1.6417 0.8208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 0.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8292 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 2.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -2.0375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 18 1 0 0 0 0 16 13 2 0 0 0 0 17 9 2 0 0 0 0 18 12 1 0 0 0 0 19 16 1 0 0 0 0 20 11 1 0 0 0 0 21 15 1 0 0 0 0 22 20 2 0 0 0 0 19 11 2 0 0 0 0 22 17 1 0 0 0 0 M END > (S0976) S0976 > (S0976) methyl-N-(8-quinolinylsulfonyl)homocysteine > (S0976) HC; AA; SA; Q > (S0976) homocysteine, S-methyl-N-(8-quinolinylsulfonyl)- > (S0976) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 2.0500 -3.6250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -2.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -2.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0292 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -5.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 6 1 0 0 0 0 15 4 1 0 0 0 0 16 12 1 0 0 0 0 17 13 2 0 0 0 0 18 9 2 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 20 2 0 0 0 0 15 16 1 0 0 0 0 11 19 2 0 0 0 0 18 21 1 0 0 0 0 M END > (S0977) S0977 > (S0977) 1-(8-quinolinylsulfonyl)proline > (S0977) HC; AA; SA; Q > (S0977) proline, 1-(8-quinolinylsulfonyl)- > (S0977) true $$$$ -ISIS- 11270914432D 25 27 0 0 0 0 0 0 0 0999 V2000 1.0542 1.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8917 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.8208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 13 2 0 0 0 0 17 9 2 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 19 2 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 18 12 2 0 0 0 0 22 17 1 0 0 0 0 25 23 2 0 0 0 0 M END > (S0978) S0978 > (S0978) N-(8-quinolinylsulfonyl)phenylalanine > (S0978) 87650-62-2 > (S0978) HC; AA; SA; Q > (S0978) phenylalanine, N-(8-quinolinylsulfonyl)- > (S0978) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 3.3000 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 13 2 0 0 0 0 16 8 2 0 0 0 0 17 15 1 0 0 0 0 18 11 1 0 0 0 0 19 18 2 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 M END > (S0979) S0979 > (S0979) N-(8-quinolinylsulfonyl)-beta-alanine > (S0979) 299936-94-0 > (S0979) HC; AA; SA; Q > (S0979) beta-alanine, N-(8-quinolinylsulfonyl)- > (S0979) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 2.5375 0.8125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5375 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 1.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 8 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 11 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 5 2 0 0 0 0 13 4 1 0 0 0 0 14 2 1 0 0 0 0 15 5 1 0 0 0 0 16 18 2 0 0 0 0 17 14 2 0 0 0 0 18 20 1 0 0 0 0 19 9 2 0 0 0 0 20 10 2 0 0 0 0 21 17 1 0 0 0 0 22 13 1 0 0 0 0 23 22 2 0 0 0 0 21 13 2 0 0 0 0 8 16 1 0 0 0 0 23 19 1 0 0 0 0 M END > (S1009) S1009 > (S1009) 3-(8-quinolylsulfonamido)benzoic acid > (S1009) 209173-94-4 > (S1009) AC; HC; SA; Q > (S1009) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 5.8625 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -2.4417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 3 9 2 0 0 0 0 6 8 1 0 0 0 0 M END > (S1578) S1578 > (S1578) 6-bromo-4-methylquinoline > (S1578) 41037-28-9 > (S1578) HC; Q > (S1578) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.0167 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 6 11 2 0 0 0 0 5 8 1 0 0 0 0 M END > (S1720) S1720 > (S1720) 7-methoxy-4-methylquinoline > (S1720) 6238-12-6 > (S1720) HC; Q > (S1720) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 5.1417 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 13 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 10 5 2 0 0 0 0 6 12 2 0 0 0 0 M END > (S1724) S1724 > (S1724) 4-methyl-6-quinolinecarboxylic acid > (S1724) 7101-68-0 > (S1724) AC; HC; Q > (S1724) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 4.1042 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 9 11 1 0 0 0 0 5 7 2 0 0 0 0 M END > (S2094) S2094 > (S2094) quinolin-7-ol > (S2094) 580-20-1 > (S2094) HC; Q > (S2094) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 4.6042 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -3.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -0.5417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -3.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -3.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 6 4 1 0 0 0 0 8 12 1 0 0 0 0 M END > (S2097) S2097 > (S2097) 2,4-dichloro-7-methoxyquinoline > (S2097) 55934-22-0 > (S2097) HA; HC; Q > (S2097) true $$$$ -ISIS- 12091012012D 14 15 0 0 0 0 0 0 0 0999 V2000 1.0000 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -1.9125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 8 1 0 0 0 0 8 5 1 0 0 0 0 7 11 1 0 0 0 0 M END > (S3078) S3078 > (S3078) 7-chloro-4-hydrazino-2-methylquinoline > (S3078) - > (S3078) 0 > (S3078) 0.0 > (S3078) HC; Q > (S3078) true $$$$