-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 $$$$ -ISIS- 11270914432D 8 8 0 0 0 0 0 0 0 0999 V2000 1.8542 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 3 6 1 0 0 0 0 M END > (S0276) S0276 > (S0276) 4-Methoxy-1,5-dihydro-2H-pyrrol-2-one > (S0276) 69778-83-2 > (S0276) AM; HC > (S0276) 4-Methoxy-3-pyrrolin-2-one > (S0276) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 3.5500 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.8542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 4 5 1 0 0 0 0 13 15 2 0 0 0 0 M END > (S0305) S0305 > (S0305) Ethyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate > (S0305) 15854-11-2 > (S0305) AC; AM; HC > (S0305) 3-Thiophenecarboxylic acid, 2-amino-4-(4-methoxyphenyl)-, ethyl ester > (S0305) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.2292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.1875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 4 5 1 0 0 0 0 15 14 2 0 0 0 0 M END > (S0306) S0306 > (S0306) Ethyl 2-amino-4-(4-methylphenyl)-3-thiophenecarboxylate > (S0306) 15854-08-7 > (S0306) AC; AM; HC > (S0306) 3-Thiophenecarboxylic acid, 2-amino-4-(4-methylphenyl)-, ethyl ester > (S0306) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 2.2500 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.5917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 16 1 0 0 0 0 15 10 1 0 0 0 0 16 11 2 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 5 4 1 0 0 0 0 14 15 2 0 0 0 0 M END > (S0307) S0307 > (S0307) Ethyl 2-amino-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate > (S0307) 350989-93-4 > (S0307) AC; AM; HC > (S0307) 3-Thiophenecarboxylic acid, 2-amino-4-(4-methoxyphenyl)-5-methyl-, ethyl ester > (S0307) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 3.3667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.1875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -3.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 20 14 1 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 5 4 1 0 0 0 0 17 16 2 0 0 0 0 M END > (S0308) S0308 > (S0308) Ethyl 2-[(2-chloroacetyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate > (S0308) 138098-81-4 > (S0308) AC; AM; HA; HC > (S0308) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(4-methylphenyl)-, ethyl ester > (S0308) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 3.3167 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 5 3 1 0 0 0 0 11 14 1 0 0 0 0 M END > (S0310) S0310 > (S0310) Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0310) 108354-78-5 > (S0310) AC; AM; HC > (S0310) 1-Benzothiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-, methyl ester > (S0310) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 1.2667 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -0.1750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 5 4 1 0 0 0 0 M END > (S0313) S0313 > (S0313) Diethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate > (S0313) 4815-30-9 > (S0313) AC; AM; HC > (S0313) 2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, diethyl ester > (S0313) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 1.4917 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.2250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -0.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 5 4 1 0 0 0 0 M END > (S0314) S0314 > (S0314) Dimethyl 5-amino-3-methyl-2,4-thiophenedicarboxylate > (S0314) 103765-33-9 > (S0314) AC; AM; HC > (S0314) 2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, dimethyl ester > (S0314) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.5375 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -2.7042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 1.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 5 4 1 0 0 0 0 13 15 2 0 0 0 0 M END > (S0315) S0315 > (S0315) Ethyl 2-amino-4-(4-chlorophenyl)-3-thiophenecarboxylate > (S0315) 65234-09-5 > (S0315) AC; AM; HA; HC > (S0315) 3-Thiophenecarboxylic acid, 2-amino-4-(4-chlorophenyl)-, ethyl ester > (S0315) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -4.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 12 2 0 0 0 0 16 9 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 20 1 0 0 0 0 5 6 1 0 0 0 0 11 13 2 0 0 0 0 M END > (S0316) S0316 > (S0316) Ethyl 2-[(2-chloroacetyl)amino]-4-(5-methyl-2-furyl)-3-thiophenecarboxylate > (S0316) none > (S0316) AC; AM; HA; HC; FU > (S0316) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(5-methyl-2-furanyl)-, ethyl ester > (S0316) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.8042 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 3 5 1 0 0 0 0 13 11 1 0 0 0 0 M END > (S0318) S0318 > (S0318) 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide > (S0318) 4815-28-5 > (S0318) AC; AM > (S0318) 1-Benzothiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro- > (S0318) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 2.6667 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 4 5 2 0 0 0 0 6 8 2 0 0 0 0 15 14 1 0 0 0 0 M END > (S0324) S0324 > (S0324) 5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylhydrazine > (S0324) 40106-45-4 > (S0324) AM; HC; PM > (S0324) [1]Benzothieno[2,3-d]pyrimidine, 4-hydrazino-5,6,7,8-tetrahydro- > (S0324) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 2.2792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 3 5 1 0 0 0 0 11 12 1 0 0 0 0 M END > (S0325) S0325 > (S0325) Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate > (S0325) 4815-29-6 > (S0325) AC; AM; HC > (S0325) 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-amino-5,6-dihydro-, ethyl ester > (S0325) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 0.8042 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -1.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 5 4 2 0 0 0 0 16 12 1 0 0 0 0 M END > (S0326) S0326 > (S0326) Ethyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate > (S0326) 203385-15-3 > (S0326) AC; AM; HA; HC > (S0326) 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6-dihydro-, ethyl ester > (S0326) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.0542 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.2292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3750 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 5 4 1 0 0 0 0 13 8 1 0 0 0 0 M END > (S0331) S0331 > (S0331) Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0331) 76981-71-0 > (S0331) AC; AM; HC > (S0331) 1-Benzothiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-6-methyl-, ethyl ester > (S0331) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 1.0292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 3.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 16 1 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 11 2 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 19 18 1 0 0 0 0 4 5 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0335) S0335 > (S0335) Ethyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate > (S0335) 350989-77-4 > (S0335) AC; AM; HA; HC > (S0335) 3-Thiophenecarboxylic acid, 2-amino-4-(4-chlorophenyl)-5-methyl-, ethyl ester > (S0335) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 2.6042 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 6 3 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 4 5 1 0 0 0 0 10 11 1 0 0 0 0 M END > (S0338) S0338 > (S0338) 2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile > (S0338) 70291-62-2 > (S0338) AC; AM; HC > (S0338) 4H-Cyclopenta[b]thiophene-3-carbonitrile, 2-amino-5,6-dihydro- > (S0338) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.9042 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -3.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 4 5 1 0 0 0 0 17 15 2 0 0 0 0 M END > (S0339) S0339 > (S0339) Ethyl 2-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate > (S0339) 356568-71-3 > (S0339) AM; HA; HC > (S0339) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)-, ethyl ester > (S0339) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.1750 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 2.4208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 18 1 0 0 0 0 16 5 1 0 0 0 0 17 12 1 0 0 0 0 18 13 2 0 0 0 0 19 15 1 0 0 0 0 20 21 1 0 0 0 0 21 8 1 0 0 0 0 22 14 1 0 0 0 0 23 22 1 0 0 0 0 5 3 2 0 0 0 0 17 15 2 0 0 0 0 M END > (S0340) S0340 > (S0340) Ethyl 2-[(2-chloroacetyl)amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate > (S0340) none > (S0340) AC; AM; HA; HC > (S0340) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(4-chlorophenyl)-5-methyl-, ethyl ester > (S0340) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 2.8167 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 0.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 2.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 3 5 1 0 0 0 0 14 11 1 0 0 0 0 M END > (S0341) S0341 > (S0341) Ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0341) 4506-71-2 > (S0341) AC; AM; HC > (S0341) 1-Benzothiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester > (S0341) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 2.1417 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 2.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 2.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 7 1 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 21 1 0 0 0 0 20 16 1 0 0 0 0 21 11 1 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 4 5 1 0 0 0 0 16 18 1 0 0 0 0 M END > (S0343) S0343 > (S0343) Ethyl 2-[(3-chloropropanoyl)amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate > (S0343) 356568-71-3 > (S0343) AC; AM; HA; HC > (S0343) 3-Thiophenecarboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-4-(4-methoxyphenyl)-, ethyl ester > (S0343) true $$$$ -ISIS- 11270914432D 21 21 0 0 0 0 0 0 0 0999 V2000 2.2417 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.2125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 4 3 2 0 0 0 0 M END > (S0344) S0344 > (S0344) Diethyl 5-[(2-chloroacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate > (S0344) 146381-87-5 > (S0344) AC; AM; HA; HC > (S0344) 2,4-Thiophenedicarboxylic acid, 5-[(2-chloroacetyl)amino]-3-methyl-, diethyl ester > (S0344) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.6667 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.7833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 11 1 0 0 0 0 17 15 1 0 0 0 0 5 4 1 0 0 0 0 17 16 2 0 0 0 0 M END > (S0345) S0345 > (S0345) Ethyl 2-amino-4-phenyl-3-thiophenecarboxylate > (S0345) 4815-36-5 > (S0345) AC; AM; HC > (S0345) 3-Thiophenecarboxylic acid, 2-amino-4-phenyl-, ethyl ester > (S0345) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 1.5500 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -2.4292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -3.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -4.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 5 4 2 0 0 0 0 M END > (S0346) S0346 > (S0346) Ethyl 2-[(2-chloroacetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate > (S0346) 60442-34-4 > (S0346) AC; AM; HA; HC > (S0346) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4,5-dimethyl-, ethyl ester > (S0346) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 3.3000 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3500 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 5 4 1 0 0 0 0 8 13 1 0 0 0 0 M END > (S0353) S0353 > (S0353) 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide > (S0353) 95211-68-0 > (S0353) AC; AM; HC > (S0353) 1-Benzothiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-6-methyl- > (S0353) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 2.3167 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5542 -4.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 3 4 2 0 0 0 0 15 14 1 0 0 0 0 M END > (S0354) S0354 > (S0354) Ethyl 2-[(2-chloroacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0354) 76981-87-8 > (S0354) AC; AM; HA; HC > (S0354) 1-Benzothiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-6-methyl-, ethyl ester > (S0354) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 0.6542 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 2.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 10 2 0 0 0 0 16 8 1 0 0 0 0 17 18 1 0 0 0 0 18 10 1 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 4 5 1 0 0 0 0 12 14 2 0 0 0 0 M END > (S0355) S0355 > (S0355) Ethyl 2-[(2-chloroacetyl)amino]-4-(2-thienyl)-3-thiophenecarboxylate > (S0355) 315676-33-6 > (S0355) AC; AM; HA; HC > (S0355) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-(2-thienyl)-, ethyl ester > (S0355) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 0.6542 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 0.2458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.6917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 9 2 0 0 0 0 16 8 1 0 0 0 0 17 18 1 0 0 0 0 18 9 1 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 4 5 1 0 0 0 0 13 14 2 0 0 0 0 M END > (S0356) S0356 > (S0356) Ethyl 2-[(2-chloroacetyl)amino]-4-(2-furyl)-3-thiophenecarboxylate > (S0356) 356568-72-4 > (S0356) AC; AM; HA; HC; FU > (S0356) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(2-furanyl)-, ethyl ester > (S0356) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.3458 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 3 5 1 0 0 0 0 16 14 1 0 0 0 0 M END > (S0357) S0357 > (S0357) Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate > (S0357) 40106-13-6 > (S0357) AC; AM; HC > (S0357) 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-amino-5,6,7,8-tetrahydro-, ethyl ester > (S0357) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 2.5667 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -1.8375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -2.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 4 5 2 0 0 0 0 20 17 1 0 0 0 0 M END > (S0358) S0358 > (S0358) Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate > (S0358) 76981-88-9 > (S0358) AC; AM; HA; HC > (S0358) 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester > (S0358) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 0.8375 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 2.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 13 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 7 8 2 0 0 0 0 10 14 2 0 0 0 0 M END > (S0359) S0359 > (S0359) N-(4-Hydroxyphenyl)-2-thiophenecarboxamide > (S0359) 98902-53-5 > (S0359) AC; AM; HC > (S0359) 2-Thiophenecarboxamide, N-(4-hydroxyphenyl)- > (S0359) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.2375 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -4.4167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 10 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 4 5 2 0 0 0 0 21 18 1 0 0 0 0 M END > (S0360) S0360 > (S0360) Ethyl 2-[(3-chloropropanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate > (S0360) 314244-45-6 > (S0360) AC; AM; HA; HC > (S0360) 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-5,6,7,8-tetrahydro-, ethyl ester > (S0360) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 1.1542 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.3542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 19 15 2 0 0 0 0 20 18 2 0 0 0 0 4 5 1 0 0 0 0 20 19 1 0 0 0 0 M END > (S0364) S0364 > (S0364) Methyl 2-[(2-chloroacetyl)amino]-4-phenyl-3-thiophenecarboxylate > (S0364) none > (S0364) AC; AM; HA; HC > (S0364) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-phenyl-, methyl ester > (S0364) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 1.8667 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.8667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 13 4 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 6 5 1 0 0 0 0 10 11 2 0 0 0 0 M END > (S0365) S0365 > (S0365) Ethyl 2-amino-4-(5-methyl-2-furyl)-3-thiophenecarboxylate > (S0365) none > (S0365) AC; AM; HC; FU > (S0365) 3-Thiophenecarboxylic acid, 2-amino-4-(5-methyl-2-furanyl)-, ethyl ester > (S0365) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 1.5500 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 4 5 1 0 0 0 0 17 16 2 0 0 0 0 M END > (S0369) S0369 > (S0369) Methyl 2-amino-5-methyl-4-phenyl-3-thiophenecarboxylate > (S0369) 350988-88-4 > (S0369) AC; AM; HC > (S0369) 3-Thiophenecarboxylic acid, 2-amino-5-methyl-4-phenyl-, methyl ester > (S0369) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 3.2667 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -2.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 3 5 1 0 0 0 0 11 12 1 0 0 0 0 M END > (S0370) S0370 > (S0370) Methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate > (S0370) 184174-80-9 > (S0370) AC; AM; HC > (S0370) 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-amino-5,6-dihydro-, methyl ester > (S0370) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 3.5042 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -3.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 10 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 4 5 2 0 0 0 0 19 18 1 0 0 0 0 M END > (S0371) S0371 > (S0371) Ethyl 2-[(3-chloropropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0371) 60442-45-7 > (S0371) AC; AM; HA; HC > (S0371) 1-Benzothiophene-3-carboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-4,5,6,7-tetrahydro-, ethyl ester > (S0371) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.1292 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.2125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 16 1 0 0 0 0 13 8 1 0 0 0 0 14 7 2 0 0 0 0 15 10 2 0 0 0 0 16 13 2 0 0 0 0 17 7 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 21 1 0 0 0 0 21 10 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 22 1 0 0 0 0 4 5 1 0 0 0 0 11 12 2 0 0 0 0 M END > (S0372) S0372 > (S0372) Ethyl 2-[(2-chloroacetyl)amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate > (S0372) 304863-82-9 > (S0372) AC; AM; HA; HC > (S0372) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(3,4-dimethoxyphenyl)-, ethyl ester > (S0372) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 1.2750 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.5250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 2.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 1.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 3 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 4 5 2 0 0 0 0 17 15 1 0 0 0 0 M END > (S0373) S0373 > (S0373) 2-Chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide > (S0373) 315684-12-9 > (S0373) AC; AM; HA; HC > (S0373) Acetamide, 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)- > (S0373) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 0.5917 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.3500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 3 5 1 0 0 0 0 M END > (S0374) S0374 > (S0374) Ethyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate > (S0374) 4815-24-1 > (S0374) AC; AM; HC > (S0374) 3-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester > (S0374) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 3.5042 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.8875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 16 1 0 0 0 0 5 4 2 0 0 0 0 17 18 1 0 0 0 0 M END > (S0382) S0382 > (S0382) Ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0382) 60442-41-3 > (S0382) AC; AM; HA; HC > (S0382) 1-Benzothiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-, ethyl ester > (S0382) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 0.6042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 1.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 5 4 2 0 0 0 0 13 17 1 0 0 0 0 M END > (S0383) S0383 > (S0383) Methyl 2-[(3-chloropropanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate > (S0383) 551910-46-4 > (S0383) AC; AM; HA; HC > (S0383) 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-5,6-dihydro-, methyl ester > (S0383) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 2.8042 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -2.6542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -0.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 3 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 5 4 2 0 0 0 0 11 15 1 0 0 0 0 M END > (S0384) S0384 > (S0384) 2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide > (S0384) 304685-87-8 > (S0384) AC; AM; HA; HC > (S0384) 2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide > (S0384) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 2.7167 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 1.4833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 5 4 1 0 0 0 0 10 9 2 0 0 0 0 M END > (S0385) S0385 > (S0385) 6-Methoxy-1,3-benzothiazol-2-ylamine > (S0385) 1747-60-0 > (S0385) AM; HC > (S0385) 2-Benzothiazolamine, 6-methoxy- > (S0385) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 1.1125 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.9458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 2.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.5917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 3 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 5 4 2 0 0 0 0 16 17 1 0 0 0 0 M END > (S0386) S0386 > (S0386) 3-Chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide > (S0386) 58125-41-0 > (S0386) AC; AM; HA; HC > (S0386) Propanamide, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)- > (S0386) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 2.8042 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.8375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 6 3 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 5 4 1 0 0 0 0 10 12 1 0 0 0 0 M END > (S0387) S0387 > (S0387) 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile > (S0387) 4651-91-6 > (S0387) AC; AM; HC > (S0387) 1-Benzothiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro- > (S0387) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.3000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 2.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 10 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 13 15 2 0 0 0 0 11 5 2 0 0 0 0 M END > (S0402) S0402 > (S0402) 4-(2-Chlorophenoxy)aniline > (S0402) 56705-85-2 > (S0402) AM; HA; BP > (S0402) Benzenamine, 4-(2-chlorophenoxy)- > (S0402) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0250 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 9 2 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 13 16 2 0 0 0 0 10 5 1 0 0 0 0 M END > (S0403) S0403 > (S0403) 4-(2-Methoxyphenoxy)aniline > (S0403) 13066-01-8 > (S0403) AM; BP > (S0403) Benzenamine, 4-(2-methoxyphenoxy)- > (S0403) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.4667 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 1.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 8 1 0 0 0 0 8 5 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 4 7 2 0 0 0 0 16 14 1 0 0 0 0 M END > (S0409) S0409 > (S0409) 4-Amino[1,1'-biphenyl]-3-carboxylic acid > (S0409) 4445-40-3 > (S0409) AC; AM; BP > (S0409) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino- > (S0409) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.2875 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 7 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 8 11 1 0 0 0 0 17 16 2 0 0 0 0 M END > (S0410) S0410 > (S0410) 2-Amino-5-phenoxybenzoic acid > (S0410) 22071-39-2 > (S0410) AC; AM; BP > (S0410) Benzoic acid, 2-amino-5-phenoxy- > (S0410) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 2.3000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 14 1 0 0 0 0 18 15 2 0 0 0 0 19 18 1 0 0 0 0 10 13 1 0 0 0 0 16 19 2 0 0 0 0 M END > (S0411) S0411 > (S0411) 2-Amino-5-(2-methoxyphenoxy)benzoic acid > (S0411) 885267-99-2 > (S0411) AC; AM; BP > (S0411) Benzoic acid, 2-amino-5-(2-methoxyphenoxy)- > (S0411) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.3042 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 2.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 10 13 1 0 0 0 0 16 18 2 0 0 0 0 M END > (S0412) S0412 > (S0412) 2-Amino-5-(2-chlorophenoxy)benzoic acid > (S0412) 117297-54-8 > (S0412) AC; AM; HA; BP > (S0412) Benzoic acid, 2-amino-5-(2-chlorophenoxy)- > (S0412) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.3042 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 7 2 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 10 13 1 0 0 0 0 16 18 2 0 0 0 0 M END > (S0413) S0413 > (S0413) 2-Amino-5-(2-methylphenoxy)benzoic acid > (S0413) 885268-00-8 > (S0413) AC; AM; BP > (S0413) Benzoic acid, 2-amino-5-(2-methylphenoxy)- > (S0413) true $$$$ -ISIS- 12091012012D 15 15 0 0 0 0 0 0 0 0999 V2000 -0.0875 1.7208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0750 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 2.4708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 2.2708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 2.2708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.7292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 12 1 0 0 0 0 12 5 1 0 0 0 0 13 3 1 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 13 15 2 0 0 0 0 M END > (S0429) S0429 > (S0429) 2-Chloro-N-[2-(trifluoromethyl)phenyl]acetamide > (S0429) 3792-04-9 > (S0429) 92-94œ > (S0429) AM > (S0429) true $$$$ -ISIS- 12091012012D 17 17 0 0 0 0 0 0 0 0999 V2000 0.2000 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 1.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 3.3458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 12 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 2 1 0 0 0 0 15 8 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 6 9 2 0 0 0 0 M END > (S0431) S0431 > (S0431) 2-Chloro-N-(3,4-dimethoxyphenethyl)acetamide > (S0431) 14301-31-6 > (S0431) AM > (S0431) true $$$$ -ISIS- 12091012012D 12 12 0 0 0 0 0 0 0 0999 V2000 3.1042 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -2.3875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.3333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 12 10 1 0 0 0 0 M END > (S0432) S0432 > (S0432) 2-Chloro-N-(2-fluorophenyl)acetamide > (S0432) 347-66-0 > (S0432) AM > (S0432) true $$$$ -ISIS- 12091012012D 15 15 0 0 0 0 0 0 0 0999 V2000 2.8667 1.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8792 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 2.2458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 2.0333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 2.0333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -3.0375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 2 2 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 12 1 0 0 0 0 12 3 1 0 0 0 0 13 2 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 6 15 2 0 0 0 0 M END > (S0433) S0433 > (S0433) 2-Chloro-N-[3-(trifluoromethyl)phenyl]acetamide > (S0433) 351-38-2 > (S0433) 62.5-64œ > (S0433) AM > (S0433) true $$$$ -ISIS- 12091012012D 10 10 0 0 0 0 0 0 0 0999 V2000 2.0042 0.2625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0042 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 2.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 9 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 10 4 1 0 0 0 0 M END > (S0434) S0434 > (S0434) 2-Chloro-1-(4-morpholinyl)-1-ethanone > (S0434) 1440-61-5 > (S0434) AM > (S0434) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 3.5042 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 3.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 11 13 2 0 0 0 0 M END > (S0435) S0435 > (S0435) 2-Chloro-N-phenethylacetamide > (S0435) - > (S0435) AM > (S0435) true $$$$ -ISIS- 12091012012D 12 12 0 0 0 0 0 0 0 0999 V2000 2.0667 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 1.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 2.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.6083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 10 12 1 0 0 0 0 M END > (S0437) S0437 > (S0437) N-Benzyl-2-chloroacetamide > (S0437) 2564-06-9 > (S0437) AM > (S0437) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 1.6292 1.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 12 1 0 0 0 0 13 10 2 0 0 0 0 M END > (S0438) S0438 > (S0438) 2-Chloro-N-(2-methoxyphenyl)acetamide > (S0438) 55860-22-5 > (S0438) AM > (S0438) true $$$$ -ISIS- 12091012012D 12 12 0 0 0 0 0 0 0 0999 V2000 3.1500 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -1.7667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.6333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 9 2 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 12 1 0 0 0 0 12 1 1 0 0 0 0 5 10 1 0 0 0 0 M END > (S0445) S0445 > (S0445) 2-Chloro-N-(4-fluorophenyl)acetamide > (S0445) 351-04-2 > (S0445) AM > (S0445) true $$$$ -ISIS- 12091012012D 15 15 0 0 0 0 0 0 0 0999 V2000 2.5000 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -4.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3667 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -2.9167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 5 1 2 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 8 2 0 0 0 0 11 12 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 6 4 1 0 0 0 0 M END > (S0450) S0450 > (S0450) N-[4-(tert-Butyl)phenyl]-2-chloroacetamide > (S0450) 20330-46-5 > (S0450) AM > (S0450) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 2.0042 1.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 3.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 15 5 2 0 0 0 0 16 6 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 6 4 1 0 0 0 0 14 12 1 0 0 0 0 16 19 1 0 0 0 0 M END > (S0452) S0452 > (S0452) 1-Hydrazino-4-(4-methylphenyl)phthalazine > (S0452) 76972-85-5 > (S0452) AM; HC; PT > (S0452) Phthalazine, 1-hydrazino-4-(4-methylphenyl)- > (S0452) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 2.0292 1.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 2.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 3.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 3.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.8667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 14 2 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 5 2 0 0 0 0 17 6 2 0 0 0 0 18 16 1 0 0 0 0 19 18 2 0 0 0 0 6 4 1 0 0 0 0 11 13 1 0 0 0 0 17 19 1 0 0 0 0 M END > (S0453) S0453 > (S0453) 1-(4-Fluorophenyl)-4-hydrazinophthalazine > (S0453) 356569-72-7 > (S0453) AM; FL; HC; PT > (S0453) Phthalazine, 1-(4-fluorophenyl)-4-hydrazino- > (S0453) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 2.2125 1.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 3.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 3.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 6 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 4 6 1 0 0 0 0 17 18 2 0 0 0 0 11 15 1 0 0 0 0 M END > (S0454) S0454 > (S0454) 1-Hydrazino-4-phenylphthalazine > (S0454) 86427-78-3 > (S0454) AM; HC; PT > (S0454) Phthalazine, 1-hydrazino-4-phenyl- > (S0454) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.6583 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.4583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 1.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2125 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.7792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 2 2 0 0 0 0 11 4 2 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 6 2 0 0 0 0 16 15 1 0 0 0 0 17 5 1 0 0 0 0 18 15 1 0 0 0 0 19 4 1 0 0 0 0 14 16 2 0 0 0 0 9 3 1 0 0 0 0 M END > (S0474) S0474 > (S0474) 1-[4-(5-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]-1-ethanone > (S0474) 84162-84-5 > (S0474) AK; AM; FL; HC; PD > (S0474) Methanone, (1-acetyl-4-piperidinyl)(5-fluoro-2-hydroxyphenyl)- > (S0474) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 0.1542 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 2.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 1.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2833 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 2.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 15 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 9 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 8 10 2 0 0 0 0 6 14 1 0 0 0 0 M END > (S0475) S0475 > (S0475) (5-Fluoro-2-hydroxyphenyl)(4-piperidinyl)methanone hydrochloride > (S0475) 1182284-28-1 > (S0475) AK; AM; FL; HC; PD > (S0475) Methanone, (5-fluoro-2-hydroxyphenyl)4-piperidinyl-, hydrochloride > (S0475) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.3417 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8417 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 2.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -1.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 13 1 0 0 0 0 5 4 1 0 0 0 0 8 11 1 0 0 0 0 M END > (S0476) S0476 > (S0476) 1-(5-Methoxy-1-benzofuran-3-yl)-1-ethanamine hydrochloride > (S0476) 317375-60-3 > (S0476) AM; HC; BF > (S0476) 3-Benzofuranmethanamine, 5-methoxy-alpha-methyl-, hydrochloride > (S0476) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 1.8917 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 2.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 2.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -1.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 5 4 1 0 0 0 0 8 11 1 0 0 0 0 M END > (S0477) S0477 > (S0477) 3-(1-Aminoethyl)-1-benzofuran-5-ol hydrochloride > (S0477) 1182284-34-9 > (S0477) AM; HC; BF > (S0477) 5-Benzofuranol, 3-(1-aminoethyl)-, hydrochloride > (S0477) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.8417 1.9208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1167 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6042 2.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 0.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 13 1 0 0 0 0 11 1 1 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 12 10 2 0 0 0 0 M END > (S0478) S0478 > (S0478) 1-(4-Methoxyphenyl)-2-(methylsulfonyl)-1-ethanamine > (S0478) 885268-01-9 > (S0478) AM > (S0478) Benzenemethanamine, 4-methoxy-alpha-[(methylsulfonyl)methyl]- > (S0478) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 3.6167 2.4708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.9042 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 1.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7667 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 0.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 12 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 11 2 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 1 1 0 0 0 0 16 5 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 5 7 2 0 0 0 0 22 23 2 0 0 0 0 M END > (S0479) S0479 > (S0479) 1-[4-(Benzyloxy)-3-methoxyphenyl]-2-(methylsulfonyl)-1-ethanamine > (S0479) 885268-03-1 > (S0479) AM > (S0479) Benzenemethanamine, 3-methoxy-alpha-[(methylsulfonyl)methyl]-4-(phenylmethoxy)- > (S0479) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 3.1875 1.9833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4667 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3375 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 2.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 3 1 0 0 0 0 11 10 2 0 0 0 0 12 5 1 0 0 0 0 13 1 1 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 6 9 2 0 0 0 0 M END > (S0480) S0480 > (S0480) 1-(4-Ethoxy-3-methoxyphenyl)-2-(methylsulfonyl)ethylamine > (S0480) 885268-06-4 > (S0480) AM > (S0480) Benzenemethanamine, 4-ethoxy-3-methoxy-alpha-[(methylsulfonyl)methyl]- > (S0480) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.5500 1.9208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8292 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.6708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3000 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 2.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 13 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 12 2 0 0 0 0 14 6 1 0 0 0 0 15 1 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 7 3 2 0 0 0 0 16 17 1 0 0 0 0 M END > (S0481) S0481 > (S0481) 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfonyl)-1-ethanamine > (S0481) 885268-08-6 > (S0481) AM; HC > (S0481) 1,4-Benzodioxin-6-methanamine, 2,3-dihydro-alpha-[(methylsulfonyl)methyl]- > (S0481) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 2.2292 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 2.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 2.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 2 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 5 4 1 0 0 0 0 8 12 1 0 0 0 0 M END > (S0482) S0482 > (S0482) 1-(5-Methoxy-2-methyl-1-benzofuran-3-yl)-1-ethanamine hydrochloride > (S0482) 1182284-36-1 > (S0482) AM; HC; BF > (S0482) 3-Benzofuranmethanamine, 5-methoxy-alpha,2-dimethyl-, hydrochloride > (S0482) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 1.7792 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 2.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2792 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 2.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 2 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 5 4 1 0 0 0 0 8 12 1 0 0 0 0 M END > (S0483) S0483 > (S0483) 3-(1-Aminoethyl)-2-methyl-1-benzofuran-5-ol hydrochloride > (S0483) 1182284-37-2 > (S0483) AM; HC; BF > (S0483) 5-Benzofuranol, 3-(1-aminoethyl)-2-methyl-, hydrochloride > (S0483) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 -0.2833 2.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.2708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2792 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 1.6333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2167 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.8125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 6 2 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 16 8 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 6 1 0 0 0 0 7 3 2 0 0 0 0 17 16 1 0 0 0 0 11 5 1 0 0 0 0 M END > (S0490) S0490 > (S0490) 1-[4-(5-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-1-ethanone > (S0490) 84163-10-0 > (S0490) AM; FL; HC; PD > (S0490) 1,2-Benzisoxazole, 3-(1-acetyl-4-piperidinyl)-5-fluoro- > (S0490) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 0.3417 2.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 1.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 1.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3708 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.5917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -1.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 15 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 5 3 2 0 0 0 0 11 10 1 0 0 0 0 7 14 1 0 0 0 0 M END > (S0491) S0491 > (S0491) 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride > (S0491) 84163-16-6 > (S0491) AM; FL; HC; PD > (S0491) 1,2-Benzisoxazole, 5-fluoro-3-(4-piperidinyl)-, monohydrochloride > (S0491) true $$$$ -ISIS- 11270914432D 20 22 0 0 0 0 0 0 0 0999 V2000 -0.4583 2.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.2833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1042 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.6333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0417 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 0.1333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 6 2 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 16 8 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 6 1 0 0 0 0 20 19 1 0 0 0 0 7 3 2 0 0 0 0 17 16 1 0 0 0 0 11 5 1 0 0 0 0 M END > (S0493) S0493 > (S0493) 2-Chloro-1-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-1-ethanone > (S0493) 885268-10-0 > (S0493) AM; FL; HA; HC; PD > (S0493) 1,2-Benzisoxazole, 3-[1-(2-chloroacetyl)-4-piperidinyl]-5-fluoro- > (S0493) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.5875 2.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 1.2708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4083 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.6333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9250 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -0.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -0.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 11 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 7 1 0 0 0 0 17 8 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 21 1 0 0 0 0 21 12 1 0 0 0 0 7 3 2 0 0 0 0 18 17 1 0 0 0 0 10 4 1 0 0 0 0 M END > (S0494) S0494 > (S0494) 3-Chloro-1-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-1-propanone > (S0494) 885268-12-2 > (S0494) AM; FL; HA; HC; PD > (S0494) 1,2-Benzisoxazole, 3-[1-(3-chloro-1-oxopropyl)-4-piperidinyl]-5-fluoro- > (S0494) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.1083 2.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 1.4833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9375 2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 1.8333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7417 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -0.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 11 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 20 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 13 6 2 0 0 0 0 14 6 1 0 0 0 0 15 10 2 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 18 7 1 0 0 0 0 19 8 2 0 0 0 0 20 14 1 0 0 0 0 21 10 1 0 0 0 0 22 18 2 0 0 0 0 23 19 1 0 0 0 0 7 3 2 0 0 0 0 22 19 1 0 0 0 0 4 12 1 0 0 0 0 M END > (S0495) S0495 > (S0495) 4-[4-(5-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-4-oxobutanoic acid > (S0495) 885268-14-4 > (S0495) AC; AM; FL; HA; HC; PD > (S0495) 1-Piperidinebutanoic acid, 4-(5-fluoro-1,2-benzisoxazol-3-yl)-gamma-oxo- > (S0495) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.7500 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 2.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 8 4 1 0 0 0 0 14 16 1 0 0 0 0 M END > (S0505) S0505 > (S0505) 4-Amino-4'-methyl-1,1'-biphenyl-3-carboxylic acid > (S0505) 192323-70-9 > (S0505) AC; AM; BP > (S0505) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-methyl- > (S0505) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.5750 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.5792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 16 2 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 8 4 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0508) S0508 > (S0508) 4-Amino-4'-chloro-1,1'-biphenyl-3-carboxylic acid > (S0508) 885268-18-8 > (S0508) AC; AM; HA; BP > (S0508) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-chloro- > (S0508) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.4750 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 16 2 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 8 4 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0512) S0512 > (S0512) 4-Amino-4'-fluoro-1,1'-biphenyl-3-carboxylic acid > (S0512) 885268-20-2 > (S0512) AC; AM; FL; BP > (S0512) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-fluoro- > (S0512) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.1042 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 16 2 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 8 4 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0516) S0516 > (S0516) 4-Amino-4'-methoxy-1,1'-biphenyl-3-carboxylic acid > (S0516) 861389-72-2 > (S0516) AC; AM; BP > (S0516) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-methoxy- > (S0516) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.5792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 2.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 1.4833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 12 3 2 0 0 0 0 13 14 2 0 0 0 0 14 6 1 0 0 0 0 15 3 1 0 0 0 0 16 6 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 13 5 1 0 0 0 0 9 11 2 0 0 0 0 M END > (S0529) S0529 > (S0529) 4-Amino-3',5'-dichloro-1,1'-biphenyl-3-carboxylic acid > (S0529) 885268-26-8 > (S0529) AC; AM; HA; BP > (S0529) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3',5'-dichloro- > (S0529) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 2.8250 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1042 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.5750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.5750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 1.8208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 2 1 0 0 0 0 16 4 1 0 0 0 0 17 7 1 0 0 0 0 18 20 1 0 0 0 0 19 9 1 0 0 0 0 20 19 2 0 0 0 0 11 5 1 0 0 0 0 18 6 2 0 0 0 0 M END > (S0533) S0533 > (S0533) 4-Amino-3'-(trifluoromethyl)-1,1'-biphenyl-3-carboxylic acid > (S0533) 885268-28-0 > (S0533) AC; AM; FL; BP > (S0533) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3'-(trifluoromethyl)- > (S0533) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.7542 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 6 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 9 4 1 0 0 0 0 13 16 2 0 0 0 0 M END > (S0537) S0537 > (S0537) 4-Amino-3'-methyl-1,1'-biphenyl-3-carboxylic acid > (S0537) 885268-30-4 > (S0537) AC; AM; BP > (S0537) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3'-methyl- > (S0537) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.4667 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 9 4 1 0 0 0 0 13 17 2 0 0 0 0 M END > (S0539) S0539 > (S0539) 4-Amino-3'-methoxy-1,1'-biphenyl-3-carboxylic acid > (S0539) 438190-81-9 > (S0539) AC; AM; BP > (S0539) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3'-methoxy- > (S0539) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 2.0417 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 0.6958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 2.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 3 2 0 0 0 0 11 13 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 3 1 0 0 0 0 15 7 1 0 0 0 0 5 11 1 0 0 0 0 9 12 2 0 0 0 0 M END > (S0544) S0544 > (S0544) 2-Amino-5-thien-2-ylbenzoic acid > (S0544) 885268-32-6 > (S0544) AC; AM; HC > (S0544) Benzoic acid, 2-amino-5-(2-thienyl)- > (S0544) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 2.0542 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.4542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 2.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 3 2 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 14 3 1 0 0 0 0 15 6 1 0 0 0 0 12 5 1 0 0 0 0 7 10 1 0 0 0 0 M END > (S0548) S0548 > (S0548) 2-Amino-5-thien-3-ylbenzoic acid > (S0548) 885268-34-8 > (S0548) AC; AM; HC > (S0548) Benzoic acid, 2-amino-5-(3-thienyl)- > (S0548) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 0.8667 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0667 -1.5375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 5 1 0 0 0 0 15 5 1 0 0 0 0 7 2 1 0 0 0 0 M END > (S0553) S0553 > (S0553) 3,5-Di-tert-butylaniline > (S0553) 2380-36-1 > (S0553) AM > (S0553) Benzenamine, 3,5-bis(1,1-dimethylethyl)- > (S0553) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 3.6000 -0.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -0.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 3 5 1 0 0 0 0 12 11 2 0 0 0 0 M END > (S0554) S0554 > (S0554) 3-Phenyl-1,2,4-thiadiazol-5-amine > (S0554) 17467-15-1 > (S0554) AM; HC > (S0554) 1,2,4-Thiadiazol-5-amine, 3-phenyl- > (S0554) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 3.3667 -0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -1.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.9292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 5 4 1 0 0 0 0 12 11 2 0 0 0 0 M END > (S0555) S0555 > (S0555) 5-Phenyl-1,2,4-thiadiazol-3-amine > (S0555) 27182-54-3 > (S0555) AM; HC > (S0555) 1,2,4-Thiadiazol-3-amine, 5-phenyl- > (S0555) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 1.3292 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 2.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 2.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 13 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 10 1 0 0 0 0 15 9 1 0 0 0 0 3 6 1 0 0 0 0 8 7 1 0 0 0 0 M END > (S0556) S0556 > (S0556) 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride > (S0556) 2328-12-3 > (S0556) AM; HC > (S0556) Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride > (S0556) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.6792 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -3.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 4 5 1 0 0 0 0 14 18 1 0 0 0 0 M END > (S0557) S0557 > (S0557) Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate > (S0557) 325724-66-1 > (S0557) AC; AM; HA; HC > (S0557) 3-Thiophenecarboxylic acid, 2-amino-4-(2-chlorophenyl)-, ethyl ester > (S0557) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 2.0542 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.4667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 7 2 0 0 0 0 11 14 2 0 0 0 0 12 6 2 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 11 1 0 0 0 0 18 15 1 0 0 0 0 19 18 1 0 0 0 0 4 5 1 0 0 0 0 9 11 1 0 0 0 0 M END > (S0558) S0558 > (S0558) Ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate > (S0558) 307511-65-5 > (S0558) AC; AM; HC > (S0558) 3-Thiophenecarboxylic acid, 2-amino-4-(3,4-dimethylphenyl)-, ethyl ester > (S0558) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.7000 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 4 5 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0559) S0559 > (S0559) Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate > (S0559) 35978-33-7 > (S0559) AC; AM; FL; HC > (S0559) 3-Thiophenecarboxylic acid, 2-amino-4-(4-fluorophenyl)-, ethyl ester > (S0559) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.4417 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0625 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 14 2 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 6 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 20 16 1 0 0 0 0 21 20 1 0 0 0 0 4 5 1 0 0 0 0 15 9 1 0 0 0 0 M END > (S0560) S0560 > (S0560) Ethyl 2-amino-4-(4-tert-butylphenyl)thiophene-3-carboxylate > (S0560) 307511-84-8 > (S0560) AC; AM; HC > (S0560) 3-Thiophenecarboxylic acid, 2-amino-4-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester > (S0560) true $$$$ -ISIS- 07201111452D 12 13 0 0 0 0 0 0 0 0999 V2000 0.1875 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 1.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 5 3 1 0 0 0 0 11 12 1 0 0 0 0 M END > (S0561) S0561 > (S0561) 2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide > (S0561) 77651-38-8 > (S0561) AM; HC > (S0561) true $$$$ -ISIS- 12091012012D 14 15 0 0 0 0 0 0 0 0999 V2000 3.4375 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -1.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 5 3 1 0 0 0 0 13 14 1 0 0 0 0 M END > (S0562) S0562 > (S0562) 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide > (S0562) - > (S0562) AM; HC > (S0562) true $$$$ -ISIS- 07201111452D 13 14 0 0 0 0 0 0 0 0999 V2000 2.8000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -2.2875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3333 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 3 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 4 5 1 0 0 0 0 12 9 1 0 0 0 0 M END > (S0563) S0563 > (S0563) 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile > (S0563) - > (S0563) AM; HC > (S0563) true $$$$ -ISIS- 07201111452D 19 21 0 0 0 0 0 0 0 0999 V2000 1.1792 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.9708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -2.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 13 6 2 0 0 0 0 14 16 2 0 0 0 0 15 7 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 14 1 0 0 0 0 3 5 1 0 0 0 0 8 11 1 0 0 0 0 12 14 1 0 0 0 0 M END > (S0567) S0567 > (S0567) 5-(3,4-Dimethylphenyl)-4-hydrazinothieno[2,3-d]pyrimidine > (S0567) - > (S0567) AM; HC > (S0567) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 3.5625 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -1.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 9 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 8 5 2 0 0 0 0 M END > (S0570) S0570 > (S0570) 2-Chloro-N-(4-methoxyphenyl)acetamide > (S0570) 22303-36-2 > (S0570) AM > (S0570) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 3.9417 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -0.7792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 3 2 0 0 0 0 12 10 2 0 0 0 0 13 9 1 0 0 0 0 12 6 1 0 0 0 0 M END > (S0571) S0571 > (S0571) 2-Chloro-N-(3-methoxyphenyl)acetamide > (S0571) 17641-08-6 > (S0571) AM > (S0571) true $$$$ -ISIS- 07201111452D 15 17 0 0 0 0 0 0 0 0999 V2000 2.3792 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1500 0.7958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.4542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.5083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 7 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 3 4 2 0 0 0 0 8 7 1 0 0 0 0 13 14 1 0 0 0 0 M END > (S0632) S0632 > (S0632) 7-methyl-4a,5,6,7,8,9a-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one > (S0632) - > (S0632) AM; HC > (S0632) true $$$$ -ISIS- 12091012012D 16 18 0 0 0 0 0 0 0 0999 V2000 -2.3958 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 0.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 3.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 3.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 8 4 1 0 0 0 0 15 13 1 0 0 0 0 6 9 2 0 0 0 0 M END > (S0633) S0633 > (S0633) 2-ethyl-4-hydrazino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine > (S0633) - > (S0633) AM; HC > (S0633) true $$$$ -ISIS- 07201111452D 15 16 0 0 0 0 0 0 0 0999 V2000 1.3792 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 1.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 0.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 13 2 0 0 0 0 4 5 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0638) S0638 > (S0638) 2-amino-4-phenyl-3-thiophenecarboxamide > (S0638) - > (S0638) AM; HC > (S0638) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.2667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 17 13 2 0 0 0 0 18 17 1 0 0 0 0 5 4 1 0 0 0 0 18 16 2 0 0 0 0 M END > (S0649) S0649 > (S0649) ethyl 2-amino-5-methyl-4-phenyl-3-thiophenecarboxylate > (S0649) 4815-37-6 > (S0649) AC; AM; HC > (S0649) 3-thiophenecarboxylic acid, 2-amino-5-methyl-4-phenyl-, ethyl ester > (S0649) true $$$$ -ISIS- 07201111452D 17 19 0 0 0 0 0 0 0 0999 V2000 1.2875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -0.7292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 1.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 2.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 2.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7375 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 9 1 0 0 0 0 17 15 1 0 0 0 0 3 6 1 0 0 0 0 7 9 2 0 0 0 0 11 15 1 0 0 0 0 M END > (S0650) S0650 > (S0650) 4-hydrazino-2,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0650) - > (S0650) AM; HC > (S0650) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 2.3792 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -0.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 2.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 10 2 0 0 0 0 13 5 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 11 1 0 0 0 0 5 4 1 0 0 0 0 8 14 2 0 0 0 0 15 16 2 0 0 0 0 M END > (S0655) S0655 > (S0655) 3-(1,3-benzothiazol-2-yl)aniline > (S0655) 41230-21-1 > (S0655) AM; HC > (S0655) benzenamine, 3-(2-benzothiazolyl)- > (S0655) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 3.2667 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -0.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 2 0 0 0 0 14 5 2 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 5 4 1 0 0 0 0 12 9 2 0 0 0 0 15 16 2 0 0 0 0 M END > (S0656) S0656 > (S0656) 4-(1,3-benzothiazol-2-yl)aniline > (S0656) 6278-73-5 > (S0656) AM; HC > (S0656) benzenamine, 4-(2-benzothiazolyl)- > (S0656) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 3.2375 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -0.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 2 5 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S0657) S0657 > (S0657) 2-methyl-1,3-benzothiazol-5-amine > (S0657) 13382-43-9 > (S0657) AM; HC > (S0657) 5-benzothiazolamine, 2-methyl- > (S0657) true $$$$ -ISIS- 07201111452D 20 21 0 0 0 0 0 0 0 0999 V2000 3.1042 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -3.0167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 14 2 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 6 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 20 16 1 0 0 0 0 4 5 1 0 0 0 0 15 9 1 0 0 0 0 M END > (S0658) S0658 > (S0658) methyl 2-amino-4-[4-(tert-butyl)phenyl]-3-thiophenecarboxylate > (S0658) 350989-95-6 > (S0658) AM; HC > (S0658) true $$$$ -ISIS- 07201111452D 17 18 0 0 0 0 0 0 0 0999 V2000 3.5292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -3.0167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 4 5 1 0 0 0 0 14 15 2 0 0 0 0 M END > (S0659) S0659 > (S0659) methyl 2-amino-4-(4-methylphenyl)-3-thiophenecarboxylate > (S0659) - > (S0659) AM; HC > (S0659) true $$$$ -ISIS- 12091012012D 18 19 0 0 0 0 0 0 0 0999 V2000 3.2167 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -2.7167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 7 2 0 0 0 0 11 14 2 0 0 0 0 12 6 2 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 11 1 0 0 0 0 18 15 1 0 0 0 0 4 5 1 0 0 0 0 9 11 1 0 0 0 0 M END > (S0660) S0660 > (S0660) methyl 2-amino-4-(3,4-dimethylphenyl)-3-thiophenecarboxylate > (S0660) 350990-08-8 > (S0660) AM; HC > (S0660) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.4542 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -2.7167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 4 5 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0661) S0661 > (S0661) methyl 2-amino-4-(4-fluorophenyl)-3-thiophenecarboxylate > (S0661) 350997-12-5 > (S0661) AC; AM; FL; HC > (S0661) 3-thiophenecarboxylic acid, 2-amino-4-(4-fluorophenyl)-, methyl ester > (S0661) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 2.5542 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -2.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 5 3 1 0 0 0 0 14 15 1 0 0 0 0 M END > (S0662) S0662 > (S0662) methyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate > (S0662) 184174-81-0 > (S0662) AC; AM; HC > (S0662) 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-amino-5,6,7,8-tetrahydro-, methyl ester > (S0662) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 0.6417 -1.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.4625 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -1.1792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 13 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 15 1 0 0 0 0 15 5 1 0 0 0 0 11 12 2 0 0 0 0 M END > (S0672) S0672 > (S0672) N-[4-(aminosulfonyl)phenyl]-2-chloroacetamide > (S0672) 14949-01-0 > (S0672) AM; HA; SA > (S0672) acetamide, N-[4-(aminosulfonyl)phenyl]-2-chloro- > (S0672) true $$$$ -ISIS- 12091012012D 7 7 0 0 0 0 0 0 0 0999 V2000 5.6667 2.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 0.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 1.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 1.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 2.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 5 4 1 0 0 0 0 M END > (S0690) S0690 > (S0690) 5-amino-1H-1,2,4-triazole-3-thiol > (S0690) 16691-43-3 > (S0690) AM; HC; SH > (S0690) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 -2.4750 -9.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2583 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -8.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -8.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -6.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -7.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -10.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -9.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 7 5 2 0 0 0 0 M END > (S0703) S0703 > (S0703) 4-(tert-butyl)aniline > (S0703) 769-92-6 > (S0703) AM > (S0703) benzenamine, 4-(1,1-dimethylethyl)- > (S0703) true $$$$ -ISIS- 12091012012D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.6583 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.6042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -4.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 -1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 4 5 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0704) S0704 > (S0704) methyl 2-amino-4-(4-methoxyphenyl)-3-thiophenecarboxylate > (S0704) 350988-34-0 > (S0704) AM; HC > (S0704) true $$$$ -ISIS- 12091012012D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.2958 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 -3.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -3.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4333 -0.1667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 4 5 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0705) S0705 > (S0705) methyl 2-amino-4-(4-chlorophenyl)-3-thiophenecarboxylate > (S0705) 350997-10-3 > (S0705) AM; HC > (S0705) true $$$$ -ISIS- 07201111452D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.4458 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -7.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -8.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -8.8917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -7.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -6.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -8.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -6.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -8.0917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -7.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 17 16 2 0 0 0 0 5 4 1 0 0 0 0 17 14 1 0 0 0 0 M END > (S0706) S0706 > (S0706) methyl 2-amino-4-(2-chlorophenyl)-3-thiophenecarboxylate > (S0706) 350997-11-4 > (S0706) AM; HC > (S0706) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.1083 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -6.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -6.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7208 -7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -8.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 12 9 1 0 0 0 0 4 6 1 0 0 0 0 M END > (S0707) S0707 > (S0707) 1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline > (S0707) 71627-27-5 > (S0707) AM; HC > (S0707) isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-6,7-dimethoxy- > (S0707) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.8083 0.0208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -6.2292 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2292 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6542 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -0.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 1 1 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 2 5 1 0 0 0 0 7 8 2 0 0 0 0 M END > (S0714) S0714 > (S0714) 2-chloro-1-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanone > (S0714) 111631-72-2 > (S0714) AM; HA; HC > (S0714) isoquinoline, 2-(2-chloroacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy- > (S0714) true $$$$ -ISIS- 12091012012D 16 17 0 0 0 0 0 0 0 0999 V2000 1.5250 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 0.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 14 2 0 0 0 0 4 5 1 0 0 0 0 15 16 1 0 0 0 0 M END > (S0726) S0726 > (S0726) methyl 2-amino-4-phenyl-3-thiophenecarboxylate > (S0726) - > (S0726) AM; HC > (S0726) true $$$$ -ISIS- 12091012012D 15 16 0 0 0 0 0 0 0 0999 V2000 1.5375 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 4 5 1 0 0 0 0 12 11 2 0 0 0 0 M END > (S0727) S0727 > (S0727) methyl 2-amino-4-(2-furyl)-3-thiophenecarboxylate > (S0727) 670271-04-2 > (S0727) AM; HC; FU > (S0727) true $$$$ -ISIS- 12091012012D 16 17 0 0 0 0 0 0 0 0999 V2000 1.4792 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 4 5 1 0 0 0 0 12 11 2 0 0 0 0 M END > (S0728) S0728 > (S0728) ethyl 2-amino-4-(2-furyl)-3-thiophenecarboxylate > (S0728) 256506-99-7 > (S0728) AM; HC; FU > (S0728) true $$$$ -ISIS- 12091012012D 16 17 0 0 0 0 0 0 0 0999 V2000 1.2625 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.0833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 4 5 1 0 0 0 0 12 10 2 0 0 0 0 M END > (S0729) S0729 > (S0729) ethyl 2-amino-4-(2-thienyl)-3-thiophenecarboxylate > (S0729) 243669-48-9 > (S0729) AM; HC > (S0729) true $$$$ -ISIS- 12091012012D 15 16 0 0 0 0 0 0 0 0999 V2000 0.8375 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.8542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9042 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 4 5 1 0 0 0 0 13 8 1 0 0 0 0 M END > (S0730) S0730 > (S0730) methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0730) - > (S0730) AM; HC > (S0730) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.3792 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 5 2 0 0 0 0 12 10 1 0 0 0 0 13 12 2 0 0 0 0 6 4 2 0 0 0 0 11 13 1 0 0 0 0 M END > (S0731) S0731 > (S0731) 2-hydrazino-4-methylquinoline > (S0731) 21703-52-6 > (S0731) AM; HC; Q > (S0731) quinoline, 2-hydrazino-4-methyl- > (S0731) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 1.1417 0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 3 2 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 7 6 2 0 0 0 0 10 12 1 0 0 0 0 M END > (S0732) S0732 > (S0732) 2-hydrazinoquinoline > (S0732) 15793-77-8 > (S0732) AM; HC; Q > (S0732) quinoline, 2-hydrazino- > (S0732) true $$$$ -ISIS- 11270914432D 10 11 0 0 0 0 0 0 0 0999 V2000 0.9125 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 0.7375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 4 6 1 0 0 0 0 8 10 2 0 0 0 0 M END > (S0733) S0733 > (S0733) 1,3-benzothiazol-5-ylamine > (S0733) 1123-93-9 > (S0733) AM; HC > (S0733) 5-benzothiazolamine > (S0733) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 0.4917 0.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 1.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 2.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 2.5583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 11 2 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 4 5 1 0 0 0 0 12 10 1 0 0 0 0 M END > (S0736) S0736 > (S0736) 5-(4-chlorophenyl)-1,2,4-thiadiazol-3-ylamine > (S0736) 89894-30-4 > (S0736) AM; HA; HC > (S0736) 1,2,4-thiadiazol-3-amine, 5-(4-chlorophenyl)- > (S0736) true $$$$ -ISIS- 07201111452D 18 20 0 0 0 0 0 0 0 0999 V2000 3.9042 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -0.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 0.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 11 2 0 0 0 0 13 4 2 0 0 0 0 14 8 2 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 6 7 1 0 0 0 0 5 10 2 0 0 0 0 12 15 1 0 0 0 0 M END > (S0737) S0737 > (S0737) 5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one > (S0737) - > (S0737) AM; HC > (S0737) true $$$$ -ISIS- 11270914432D 10 11 0 0 0 0 0 0 0 0999 V2000 0.7042 -0.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.2583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 1.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 10 2 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 4 2 1 0 0 0 0 6 8 1 0 0 0 0 M END > (S0748) S0748 > (S0748) 1,3-benzothiazol-6-ylamine > (S0748) 533-30-2 > (S0748) AM; HC > (S0748) 6-benzothiazolamine > (S0748) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 2.6625 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2125 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 14 12 1 0 0 0 0 15 6 1 0 0 0 0 16 5 1 0 0 0 0 17 11 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 20 13 1 0 0 0 0 21 13 2 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 7 6 2 0 0 0 0 10 9 1 0 0 0 0 12 19 1 0 0 0 0 M END > (S1010) S1010 > (S1010) 4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]aniline > (S1010) 82925-02-8 > (S1010) AM; HC > (S1010) true $$$$ -ISIS- 11270914432D 10 11 0 0 0 0 0 0 0 0999 V2000 0.7417 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 9 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 6 3 1 0 0 0 0 8 5 2 0 0 0 0 M END > (S1532) S1532 > (S1532) 1H-pyrazolo[3,4-d]pyrimidin-4-amine > (S1532) 20289-44-5 > (S1532) AM; HC; PM > (S1532) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 0.2000 -0.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9875 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 2.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -2.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0625 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -2.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 6 1 0 0 0 0 11 8 2 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 5 4 1 0 0 0 0 15 14 1 0 0 0 0 7 9 2 0 0 0 0 M END > (S1533) S1533 > (S1533) cyclopentanol, 3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)- > (S1533) 948005-88-7 > (S1533) AM; HC; PM > (S1533) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.3792 1.2167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2000 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -1.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1000 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 -1.7125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8125 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0625 -0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3542 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 19 1 0 0 0 0 11 18 1 0 0 0 0 12 6 1 0 0 0 0 13 4 2 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 14 2 0 0 0 0 17 13 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 20 16 1 0 0 0 0 21 15 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 20 1 0 0 0 0 20 17 2 0 0 0 0 11 3 1 0 0 0 0 M END > (S1534) S1534 > (S1534) 1-piperidinecarboxylic acid, 4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,1-dimethylethyl ester > (S1534) 166815-96-9 > (S1534) AM; HC; SA; PD > (S1534) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 2.5750 1.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2458 0.3708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -1.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -2.2292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7875 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9458 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 12 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 5 1 0 0 0 0 14 8 1 0 0 0 0 15 13 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 22 10 2 0 0 0 0 23 10 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 3 7 1 0 0 0 0 26 25 2 0 0 0 0 11 6 1 0 0 0 0 M END > (S1535) S1535 > (S1535) 1-piperidinecarboxylic acid, 4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]methyl]-, 1,1-dimethylethyl ester > (S1535) 948005-92-3 > (S1535) AM; HC; PD > (S1535) true $$$$ -ISIS- 11270914432D 22 24 0 0 0 0 0 0 0 0999 V2000 2.2375 0.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 0.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 -0.1583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -0.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2875 -1.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3667 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 11 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 3 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 15 1 0 0 0 0 19 18 1 0 0 0 0 20 17 1 0 0 0 0 21 16 2 0 0 0 0 22 20 2 0 0 0 0 4 5 1 0 0 0 0 7 12 1 0 0 0 0 21 22 1 0 0 0 0 M END > (S1536) S1536 > (S1536) 1-piperazinecarboxylic acid, 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-, ethyl ester > (S1536) 948005-96-7 > (S1536) AM; HC; PZ > (S1536) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 1.5208 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.3667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 9 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 7 5 1 0 0 0 0 M END > (S1537) S1537 > (S1537) benzoic acid, 2-amino-4-bromo- > (S1537) 20776-50-5 > (S1537) AC; AM > (S1537) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 2.4667 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 13 2 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 1 2 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 11 12 2 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 6 2 0 0 0 0 15 3 1 0 0 0 0 16 6 1 0 0 0 0 17 4 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 7 5 1 0 0 0 0 19 10 2 0 0 0 0 9 11 1 0 0 0 0 M END > (S1543) S1543 > (S1543) benzoic acid, 2-amino-4-(1H-indol-4-yl)- > (S1543) 948006-00-6 > (S1543) AC; AM; IN > (S1543) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 2.4208 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 3 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 2 1 0 0 0 0 15 3 1 0 0 0 0 7 5 1 0 0 0 0 12 13 2 0 0 0 0 M END > (S1544) S1544 > (S1544) benzoic acid, 2-amino-4-(2-furanyl)- > (S1544) 861389-78-8 > (S1544) AC; AM; FU > (S1544) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 2.0458 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.7667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 3 2 0 0 0 0 13 9 1 0 0 0 0 14 2 1 0 0 0 0 15 3 1 0 0 0 0 7 5 1 0 0 0 0 11 13 2 0 0 0 0 M END > (S1545) S1545 > (S1545) benzoic acid, 2-amino-4-(2-thienyl)- > (S1545) 948006-04-0 > (S1545) AC; AM > (S1545) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 1.8792 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 -0.6792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 11 2 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 9 1 0 0 0 0 9 4 2 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 10 2 0 0 0 0 13 3 2 0 0 0 0 14 2 1 0 0 0 0 15 3 1 0 0 0 0 7 5 1 0 0 0 0 8 12 1 0 0 0 0 M END > (S1546) S1546 > (S1546) benzoic acid, 2-amino-4-(3-thienyl)- > (S1546) 1096770-86-3 > (S1546) AC; AM > (S1546) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 1.1583 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1292 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 5 6 1 0 0 0 0 16 15 2 0 0 0 0 M END > (S1547) S1547 > (S1547) [1,1'-biphenyl]-4-carboxylic acid, 3-amino-4'-methyl- > (S1547) 948006-08-4 > (S1547) AC; AM > (S1547) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 0.3417 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 10 2 0 0 0 0 4 1 2 0 0 0 0 5 11 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 12 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 6 2 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 18 16 2 0 0 0 0 19 17 2 0 0 0 0 9 8 2 0 0 0 0 3 5 1 0 0 0 0 18 19 1 0 0 0 0 M END > (S1548) S1548 > (S1548) benzoic acid, 2-amino-4-(1-benzothiophen-2-yl)- > (S1548) 948006-12-0 > (S1548) AC; AM; BT > (S1548) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 2.0458 1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 -1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 14 2 0 0 0 0 5 4 1 0 0 0 0 6 9 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 5 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 12 10 1 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 3 2 0 0 0 0 16 5 1 0 0 0 0 17 16 2 0 0 0 0 18 2 1 0 0 0 0 19 3 1 0 0 0 0 8 4 1 0 0 0 0 6 10 2 0 0 0 0 12 11 1 0 0 0 0 M END > (S1549) S1549 > (S1549) benzoic acid, 2-amino-4-(5-benzofuranyl)- > (S1549) 948006-16-4 > (S1549) AC; AM; BF > (S1549) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.8625 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.5917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 15 1 0 0 0 0 15 11 2 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 5 6 1 0 0 0 0 16 14 2 0 0 0 0 M END > (S1550) S1550 > (S1550) [1,1'-biphenyl]-4-carboxylic acid, 3-amino-4'-fluoro- > (S1550) 948006-20-0 > (S1550) AC; AM > (S1550) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.4333 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -0.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 15 1 0 0 0 0 15 11 2 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 5 6 1 0 0 0 0 16 14 2 0 0 0 0 M END > (S1551) S1551 > (S1551) [1,1'-biphenyl]-4-carboxylic acid, 3-amino-4'-methoxy- > (S1551) 861389-74-4 > (S1551) AC; AM > (S1551) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.1833 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.7917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 15 1 0 0 0 0 15 11 2 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 5 6 1 0 0 0 0 16 14 2 0 0 0 0 M END > (S1552) S1552 > (S1552) [1,1'-biphenyl]-4-carboxylic acid, 3-amino-4'-chloro- > (S1552) 948006-23-3 > (S1552) AC; AM > (S1552) true $$$$ -ISIS- 07201111452D 14 15 0 0 0 0 0 0 0 0999 V2000 2.4292 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -1.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 5 2 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 7 10 1 0 0 0 0 6 8 1 0 0 0 0 M END > (S1561) S1561 > (S1561) 7-hydroxy-6-methoxyquinazolin-4(3H)-one > (S1561) - > (S1561) AM; HC > (S1561) true $$$$ -ISIS- 07201111452D 15 16 0 0 0 0 0 0 0 0999 V2000 3.1542 -0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 2 2 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 6 1 0 0 0 0 15 13 1 0 0 0 0 8 10 1 0 0 0 0 4 6 1 0 0 0 0 M END > (S1563) S1563 > (S1563) 7-hydroxy-6-methoxy-2-methylquinazolin-4(3H)-one > (S1563) - > (S1563) AM; HC > (S1563) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 3.4792 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 7 5 1 0 0 0 0 M END > (S1566) S1566 > (S1566) 2-amino-4,5-dimethoxybenzoic acid > (S1566) 5653-40-7 > (S1566) AC; AM > (S1566) true $$$$ -ISIS- 11270914432D 8 8 0 0 0 0 0 0 0 0999 V2000 2.6500 -3.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -2.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7875 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 7 5 1 0 0 0 0 M END > (S1576) S1576 > (S1576) piperidin-4-ylmethanol > (S1576) 6457-49-4 > (S1576) AM; HC; PD > (S1576) true $$$$ -ISIS- 11270914432D 9 8 0 0 0 0 0 0 0 0999 V2000 4.5292 -2.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2792 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -3.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -2.6667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -3.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 8 7 1 0 0 0 0 M END > (S1577) S1577 > (S1577) 1-aminopyrrolidin-2-one hydrochloride > (S1577) 20386-22-5 > (S1577) AM; HC > (S1577) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 3.1875 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -0.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9667 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -1.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 3 4 1 0 0 0 0 6 8 2 0 0 0 0 M END > (S1582) S1582 > (S1582) 2,3-dimethyl-2H-indazol-6-amine > (S1582) 444731-72-0 > (S1582) AM; HC > (S1582) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 1.4292 -2.0542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1500 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 8 11 1 0 0 0 0 M END > (S1583) S1583 > (S1583) 5-amino-2-methylbenzenesulfonamide > (S1583) 6937-09-7 > (S1583) AM; SA > (S1583) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 3.4292 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 11 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 12 1 0 0 0 0 12 4 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 M END > (S1646) S1646 > (S1646) 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline > (S1646) 1745-07-9 > (S1646) AM; HC > (S1646) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 11.4875 -6.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2167 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5542 -5.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 -4.9125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8000 -6.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 11 2 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 5 4 1 0 0 0 0 12 10 1 0 0 0 0 M END > (S1647) S1647 > (S1647) 5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine > (S1647) 1086385-64-9 > (S1647) AM; HC > (S1647) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 2.1625 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.1833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 2.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 4 5 1 0 0 0 0 14 11 2 0 0 0 0 M END > (S1648) S1648 > (S1648) 5-(2-methoxyphenyl)-1,2,4-thiadiazol-3-amine > (S1648) 1086385-69-4 > (S1648) AM; HC > (S1648) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8375 -0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.9083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 9 12 1 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 10 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 5 4 1 0 0 0 0 9 8 2 0 0 0 0 M END > (S1649) S1649 > (S1649) 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-ylamine > (S1649) 1086385-71-8 > (S1649) AM; HC > (S1649) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.4000 -0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 0.9083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 12 9 2 0 0 0 0 13 12 1 0 0 0 0 4 5 1 0 0 0 0 13 11 2 0 0 0 0 M END > (S1650) S1650 > (S1650) 5-(2-methylphenyl)-1,2,4-thiadiazol-3-amine > (S1650) 1086385-74-1 > (S1650) AM; HC > (S1650) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 1.4167 0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 2.4625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 4 5 1 0 0 0 0 13 11 2 0 0 0 0 M END > (S1651) S1651 > (S1651) 5-(2-fluorophenyl)-1,2,4-thiadiazol-3-amine > (S1651) 1086385-78-5 > (S1651) AM; FL; HC > (S1651) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 1.4167 0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 5 4 1 0 0 0 0 11 12 1 0 0 0 0 M END > (S1652) S1652 > (S1652) 5-(4-methylphenyl)-1,2,4-thiadiazol-3-amine > (S1652) 1086385-80-9 > (S1652) AM; HC > (S1652) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.0875 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 2.0958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 11 2 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 5 4 1 0 0 0 0 12 10 1 0 0 0 0 M END > (S1653) S1653 > (S1653) 5-(4-fluorophenyl)-1,2,4-thiadiazol-3-amine > (S1653) 1086385-83-2 > (S1653) AM; FL; HC > (S1653) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8042 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 2.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7875 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 13 2 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 5 4 1 0 0 0 0 12 8 1 0 0 0 0 M END > (S1654) S1654 > (S1654) 5-[4-(tert-butyl)phenyl]-1,2,4-thiadiazol-3-ylamine > (S1654) 1086385-86-5 > (S1654) AM; HC > (S1654) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.4000 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 1.1833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 2.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 4 5 1 0 0 0 0 13 11 2 0 0 0 0 M END > (S1655) S1655 > (S1655) 5-(2-chlorophenyl)-1,2,4-thiadiazol-3-amine > (S1655) 42053-84-9 > (S1655) AM; HA; HC > (S1655) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 1.4167 0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 3.0250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2375 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 1.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 3.5583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4583 3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 15 1 0 0 0 0 14 8 1 0 0 0 0 15 14 2 0 0 0 0 6 5 1 0 0 0 0 13 7 2 0 0 0 0 M CHG 2 3 1 10 -1 M END > (S1656) S1656 > (S1656) 5-(3-nitrophenyl)-1,2,4-thiadiazol-3-amine > (S1656) 1086385-88-7 > (S1656) AM; HC; NT > (S1656) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 1.5750 -0.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.2833 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3917 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 0.6583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 2.0958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4333 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 12 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 4 1 0 0 0 0 6 5 1 0 0 0 0 7 11 1 0 0 0 0 M CHG 2 3 1 9 -1 M END > (S1657) S1657 > (S1657) 5-(4-nitrophenyl)-1,2,4-thiadiazol-3-amine > (S1657) 90220-90-9 > (S1657) AM; HC; NT > (S1657) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 -2.4208 0.1833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.4958 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -0.9792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -2.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2500 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5583 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 14 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 3 4 1 0 0 0 0 8 11 2 0 0 0 0 9 15 1 0 0 0 0 M END > (S1658) S1658 > (S1658) 3-[(4-piperidinylmethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyridine > (S1658) 1086385-90-1 > (S1658) AM; HC; PD > (S1658) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 5.0375 1.7458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 1.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 0.5083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1167 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 11 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 10 1 0 0 0 0 14 10 1 0 0 0 0 3 4 1 0 0 0 0 12 7 1 0 0 0 0 M END > (S1659) S1659 > (S1659) 4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}piperidine > (S1659) 1086385-92-3 > (S1659) AM; HC; PD > (S1659) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 3.3625 -1.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5000 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 11 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 12 2 0 0 0 0 10 14 1 0 0 0 0 2 9 2 0 0 0 0 M END > (S1660) S1660 > (S1660) 3-[(4-piperidinylmethoxy)methyl]pyridine > (S1660) 933716-24-6 > (S1660) AM; HC; PD > (S1660) true $$$$ -ISIS- 11270914432D 9 9 0 0 0 0 0 0 0 0999 V2000 4.3042 -2.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3042 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -1.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5875 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 6 1 0 0 0 0 5 6 1 0 0 0 0 M END > (S1669) S1669 > (S1669) (1-methyl-4-piperidinyl)methanol > (S1669) 20691-89-8 > (S1669) AM; HC; PD > (S1669) true $$$$ -ISIS- 11270914432D 20 22 0 0 0 0 0 0 0 0999 V2000 3.5417 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -2.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 10 2 0 0 0 0 8 2 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 3 2 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 7 8 1 0 0 0 0 5 9 2 0 0 0 0 19 20 2 0 0 0 0 M END > (S1675) S1675 > (S1675) 6-methoxy-7-phenoxy-4(3H)-quinazolinone > (S1675) 1086385-94-5 > (S1675) AM; HC > (S1675) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 4.2292 0.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 14 1 0 0 0 0 10 7 1 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 5 6 1 0 0 0 0 18 17 2 0 0 0 0 13 9 2 0 0 0 0 M END > (S1676) S1676 > (S1676) 4-(4-pyridinylmethyl)-1(2H)-phthalazinone > (S1676) 107558-48-5 > (S1676) AM; HC > (S1676) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 4.5542 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 1.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.4958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 1.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 5 4 1 0 0 0 0 10 9 2 0 0 0 0 M END > (S1677) S1677 > (S1677) 6-methyl-1,3-benzothiazol-2-amine > (S1677) 2536-91-6 > (S1677) AM; HC > (S1677) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 6.3375 -4.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -5.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1917 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -6.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 9 11 2 0 0 0 0 M END > (S1685) S1685 > (S1685) 2-amino-3-phenylpropanenitrile > (S1685) 55379-75-4 > (S1685) AC; AM > (S1685) true $$$$ -ISIS- 11270914432D 9 9 0 0 0 0 0 0 0 0999 V2000 5.1125 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -4.1750 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -4.1750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 6 2 2 0 0 0 0 M END > (S1687) S1687 > (S1687) 3-fluoro-5-iodoaniline > (S1687) 660-49-1 > (S1687) AM; FL; HA > (S1687) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 3.3417 0.1250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6167 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -0.2875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3375 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.3625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 8 10 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1690) S1690 > (S1690) 4-bromo-2-nitroaniline > (S1690) 875-51-4 > (S1690) AM; HA; NT > (S1690) true $$$$ -ISIS- 11270914432D 10 9 0 0 0 0 0 0 0 0999 V2000 5.1542 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -7.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -4.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -7.3542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -7.3667 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -4.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 2 6 2 0 0 0 0 M END > (S1696) S1696 > (S1696) 3-fluoro-5-iodoaniline hydrochloride > (S1696) 1182284-39-4 > (S1696) AM; FL > (S1696) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 0.9792 -0.9292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 0.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -3.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4750 1.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 9 7 2 0 0 0 0 M END > (S1697) S1697 > (S1697) 4-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-cyclopenten-1-ol > (S1697) 1086385-96-7 > (S1697) AM; HC; PM > (S1697) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 0.5250 0.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7792 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.2583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 1.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 8 4 1 0 0 0 0 7 5 1 0 0 0 0 14 15 2 0 0 0 0 M END > (S1700) S1700 > (S1700) 3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylamine > (S1700) 3176-53-2 > (S1700) AM; HC > (S1700) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 1.6667 -3.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -2.0542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -2.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 2 2 0 0 0 0 10 11 1 0 0 0 0 11 7 2 0 0 0 0 12 2 1 0 0 0 0 6 4 1 0 0 0 0 8 5 1 0 0 0 0 M END > (S1703) S1703 > (S1703) 1,3-benzothiazole-6-carboxamide > (S1703) 101084-51-9 > (S1703) AM; HC > (S1703) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 1.1250 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -3.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -2.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -2.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 3 2 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 9 7 1 0 0 0 0 5 8 2 0 0 0 0 20 21 2 0 0 0 0 M END > (S1704) S1704 > (S1704) 7-(benzyloxy)-6-methoxy-4(3H)-quinazolinone > (S1704) 179688-01-8 > (S1704) AM; HC > (S1704) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.6917 -0.7792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4042 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -0.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 0.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.0167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 8 2 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 8 1 0 0 0 0 15 11 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 3 6 1 0 0 0 0 15 17 2 0 0 0 0 M END > (S1706) S1706 > (S1706) 6-amino-3-(2-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione > (S1706) 639780-60-2 > (S1706) AM; FL; HC > (S1706) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 2.5792 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 2.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 5 4 1 0 0 0 0 8 12 1 0 0 0 0 M END > (S1707) S1707 > (S1707) 3-(1-aminoethyl)-2-methyl-1-benzofuran-5-ol > (S1707) 1086385-99-0 > (S1707) AM; HC; BF > (S1707) true $$$$ -ISIS- 11270914432D 9 7 0 0 0 0 0 0 0 0999 V2000 5.7292 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -5.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7292 -6.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -6.9042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -5.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 M END > (S1709) S1709 > (S1709) 1-amino-3,3-dimethyl-2-butanone hydrochloride > (S1709) 33119-72-1 > (S1709) AK; AM > (S1709) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.0750 -0.1542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7792 1.5083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.2583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 2.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 1.5083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7792 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 12 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 15 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 2 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 11 4 1 0 0 0 0 13 8 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S1713) S1713 > (S1713) 3-methyl-1-(4-nitrophenyl)piperazine > (S1713) 329922-44-3 > (S1713) AM; HC; NT; PZ > (S1713) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 0.7000 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 3 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 8 11 1 0 0 0 0 6 4 1 0 0 0 0 M END > (S1714) S1714 > (S1714) 7-methoxy-4-methyl-2(1H)-quinolinone > (S1714) 40053-37-0 > (S1714) AM; HC > (S1714) true $$$$ -ISIS- 11270914432D 24 27 0 0 0 0 0 0 0 0999 V2000 0.6792 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -3.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -2.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 7 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 16 1 0 0 0 0 21 16 2 0 0 0 0 22 21 1 0 0 0 0 23 20 2 0 0 0 0 24 22 2 0 0 0 0 5 3 1 0 0 0 0 8 10 1 0 0 0 0 14 19 2 0 0 0 0 23 24 1 0 0 0 0 M END > (S1716) S1716 > (S1716) 5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine > (S1716) 194787-36-5 > (S1716) AM; HC; PM > (S1716) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 2.6042 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 2.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 11 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 13 2 0 0 0 0 13 10 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 M END > (S1717) S1717 > (S1717) 2-(2-methyl-1H-indol-3-yl)ethylamine > (S1717) 2731-06-8 > (S1717) AM; HC; IN > (S1717) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.3042 -7.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -6.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -5.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -7.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -7.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0417 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -7.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8625 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 11 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 5 3 1 0 0 0 0 16 17 1 0 0 0 0 M END > (S1721) S1721 > (S1721) 3-amino-4-[(cyclohexylmethyl)amino]benzonitrile > (S1721) 809273-56-1 > (S1721) AC; AM > (S1721) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 5.8042 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -3.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -6.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 9 2 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 1 2 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 15 13 1 0 0 0 0 10 5 1 0 0 0 0 M END > (S1722) S1722 > (S1722) 4-(2-methylphenoxy)aniline > (S1722) 56705-83-0 > (S1722) AM > (S1722) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 5.1042 -2.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -4.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -0.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -3.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5292 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 9 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 2 2 0 0 0 0 11 3 2 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 8 4 1 0 0 0 0 11 15 1 0 0 0 0 M END > (S1723) S1723 > (S1723) N~1~-(tetrahydro-2H-pyran-4-ylmethyl)-1,2-benzenediamine > (S1723) 1086386-02-8 > (S1723) AM; HC > (S1723) N-(2-aminophenyl)-N-(tetrahydro-2H-pyran-4-ylmethyl)amine > (S1723) true $$$$ -ISIS- 11270914432D 8 8 0 0 0 0 0 0 0 0999 V2000 1.8750 -0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 6 5 1 0 0 0 0 M END > (S1729) S1729 > (S1729) 5-(hydroxymethyl)-2-pyrrolidinone > (S1729) 66673-40-3 > (S1729) AM; HC > (S1729) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 1.6250 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -1.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0792 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 8 7 1 0 0 0 0 M END > (S1733) S1733 > (S1733) ethyl 5-oxo-2-pyrrolidinecarboxylate > (S1733) 7149-65-7 > (S1733) AC; AM; HC > (S1733) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 2.2167 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 11 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S1754) S1754 > (S1754) methyl 2-(5-amino-2-methylphenyl)acetate > (S1754) 850449-93-3 > (S1754) AC; AM > (S1754) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 2.5250 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 7 10 1 0 0 0 0 M END > (S1760) S1760 > (S1760) 4-ethoxy-1,5,6,7-tetrahydro-2H-azepin-2-one > (S1760) 165257-04-5 > (S1760) AM; HC > (S1760) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 1.5500 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.4583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3542 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7500 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -2.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9083 -2.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 7 2 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 5 4 2 0 0 0 0 11 12 1 0 0 0 0 16 18 2 0 0 0 0 M END > (S1761) S1761 > (S1761) 1-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)-4-piperidinamine > (S1761) 781612-07-5 > (S1761) AM; HC; PD; T > (S1761) 1-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)-4-piperidinylamine > (S1761) true $$$$ -ISIS- 11270914432D 9 8 0 0 0 0 0 0 0 0999 V2000 4.8750 -1.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.1667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 1 0 0 0 0 2 8 1 0 0 0 0 M END > (S1769) S1769 > (S1769) 4-azepanone hydrochloride > (S1769) 50492-22-3 > (S1769) AK; AM; HC > (S1769) true $$$$ -ISIS- 11270914432D 20 22 0 0 0 0 0 0 0 0999 V2000 0.1542 -4.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -3.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -4.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -4.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 5 4 2 0 0 0 0 7 9 2 0 0 0 0 20 15 2 0 0 0 0 M END > (S1770) S1770 > (S1770) 6-{[3-(aminomethyl)benzyl]oxy}-9H-purin-2-amine > (S1770) 948903-72-8 > (S1770) AM; HC; PM > (S1770) 6-{[3-(aminomethyl)benzyl]oxy}-9H-purin-2-ylamine > (S1770) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 11.6292 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7042 1.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5167 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6292 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 3 2 0 0 0 0 12 5 2 0 0 0 0 13 6 2 0 0 0 0 14 6 1 0 0 0 0 15 18 2 0 0 0 0 16 13 1 0 0 0 0 17 14 2 0 0 0 0 18 12 1 0 0 0 0 19 17 1 0 0 0 0 10 9 1 0 0 0 0 11 15 1 0 0 0 0 19 16 2 0 0 0 0 M END > (S1771) S1771 > (S1771) 2-(2-[1,1'-biphenyl]-2-ylethyl)-4,5-dihydro-1H-imidazole > (S1771) 272110-27-7 > (S1771) AM; HC > (S1771) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 12.2250 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9792 0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 1.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5125 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5292 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 9 8 1 0 0 0 0 12 14 1 0 0 0 0 M END > (S1772) S1772 > (S1772) 2-(2-methylphenethyl)-4,5-dihydro-1H-imidazole > (S1772) 221225-01-0 > (S1772) AM; HC > (S1772) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 11.5667 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 -0.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -2.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.8667 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4542 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 10 9 1 0 0 0 0 12 14 1 0 0 0 0 M END > (S1773) S1773 > (S1773) 2-(2-chlorophenethyl)-4,5-dihydro-1H-imidazole > (S1773) 1049762-58-4 > (S1773) AM; HA; HC > (S1773) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 3.7542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3292 -2.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0500 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 14 1 0 0 0 0 13 10 1 0 0 0 0 14 8 1 0 0 0 0 13 8 1 0 0 0 0 12 11 1 0 0 0 0 M END > (S1784) S1784 > (S1784) 1-oxodecahydro-8-isoquinolinecarboxylic acid > (S1784) AC; AM; HC > (S1784) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 6.4167 -2.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.7375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 10 1 0 0 0 0 8 5 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 7 5 1 0 0 0 0 9 11 2 0 0 0 0 M END > (S1792) S1792 > (S1792) 7-bromo-3,4-dihydro-2(1H)-quinolinone > (S1792) 14548-51-7 > (S1792) AM; HA; HC > (S1792) true $$$$ -ISIS- 11270914432D 8 8 0 0 0 0 0 0 0 0999 V2000 0.4292 -0.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 -0.5625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2208 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 6 4 1 0 0 0 0 M END > (S1795) S1795 > (S1795) (2-methylcyclopentyl)methanamine > (S1795) 751464-59-2 > (S1795) AM > (S1795) (2-methylcyclopentyl)methylamine > (S1795) true $$$$ -ISIS- 11270914432D 9 9 0 0 0 0 0 0 0 0999 V2000 5.9250 -1.5375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2750 -1.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6292 -3.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 5 9 1 0 0 0 0 M END > (S1796) S1796 > (S1796) (2,2-dimethylcyclopentyl)methanamine > (S1796) 212382-59-7 > (S1796) AM > (S1796) (2,2-dimethylcyclopentyl)methylamine > (S1796) true $$$$ -ISIS- 11270914432D 9 9 0 0 0 0 0 0 0 0999 V2000 3.4000 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 2.1250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2250 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 2.8833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0917 2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 4 5 1 0 0 0 0 M CHG 2 2 1 7 -1 M END > (S1801) S1801 > (S1801) 3-methyl-4-nitro-1H-pyrazole > (S1801) 5334-39-4 > (S1801) AM; HC; NT > (S1801) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 5.0500 -2.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4375 -1.6792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4375 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 9 2 0 0 0 0 14 16 1 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 6 2 1 0 0 0 0 M END > (S1806) S1806 > (S1806) 6-[(2-methoxyethyl)amino]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde > (S1806) 1018301-05-7 > (S1806) AK; AM; HC > (S1806) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 5.5417 -3.2625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -2.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 6 2 1 0 0 0 0 M END > (S1808) S1808 > (S1808) 1,3-dimethyl-2,4-dioxo-6-(propylamino)-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde > (S1808) 1018571-47-5 > (S1808) AK; AM; HC > (S1808) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 5.6792 -2.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0667 -1.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -4.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -3.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2667 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 16 1 0 0 0 0 14 10 2 0 0 0 0 15 7 1 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 6 2 1 0 0 0 0 17 19 1 0 0 0 0 M END > (S1809) S1809 > (S1809) 1,3-dimethyl-2,4-dioxo-6-[(tetrahydro-2-furanylmethyl)amino]-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde > (S1809) 1018501-36-4 > (S1809) AK; AM; HC > (S1809) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 5.5417 -3.2625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -2.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 6 2 1 0 0 0 0 M END > (S1810) S1810 > (S1810) 1,3-dimethyl-6-(methylamino)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde > (S1810) 89549-92-8 > (S1810) AK; AM; HC > (S1810) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 6.1625 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -3.2625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -2.1917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -3.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -3.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5917 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 10 2 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 4 3 1 0 0 0 0 M END > (S1811) S1811 > (S1811) 6-(isopropylamino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbaldehyde > (S1811) 1018301-09-1 > (S1811) AK; AM; HC > (S1811) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -3.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 5 4 2 0 0 0 0 M END > (S1833) S1833 > (S1833) methyl 2-[(6-chloro-4-pyrimidinyl)amino]acetate > (S1833) 1086386-57-3 > (S1833) AC; AM; HA; HC; PM > (S1833) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 2 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 13 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 5 6 1 0 0 0 0 8 14 1 0 0 0 0 M END > (S1835) S1835 > (S1835) 4-(6-hydrazino-4-pyrimidinyl)morpholine > (S1835) 5767-36-2 > (S1835) AM > (S1835) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 3.6125 -5.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -3.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 5 4 2 0 0 0 0 15 14 2 0 0 0 0 M END > (S1838) S1838 > (S1838) N-benzyl-6-chloro-4-pyrimidinamine > (S1838) 61667-16-1 > (S1838) AM; HA; HC; PM > (S1838) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -5.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 13 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 5 4 2 0 0 0 0 8 12 2 0 0 0 0 M END > (S1839) S1839 > (S1839) 6-chloro-N-(4-pyridinylmethyl)-4-pyrimidinamine > (S1839) 1086386-59-5 > (S1839) AM; HA; HC; PM > (S1839) . N-(6-chloro-4-pyrimidinyl)-N-(4-pyridinylmethyl)amine > (S1839) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 5.1000 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 11 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 14 2 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 6 3 2 0 0 0 0 12 8 1 0 0 0 0 M END > (S1840) S1840 > (S1840) N-(6-chloro-4-pyrimidinyl)-N-(3-pyridinyl)amine > (S1840) 945896-57-1 > (S1840) AM; HA; HC; PM > (S1840) 6-chloro-N-(3-pyridinyl)-4-pyrimidinamine > (S1840) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 3.5667 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 13 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 5 1 0 0 0 0 5 4 2 0 0 0 0 11 12 2 0 0 0 0 M END > (S1841) S1841 > (S1841) N-(6-chloro-4-pyrimidinyl)-N-(2-furylmethyl)amine > (S1841) 99846-86-3 > (S1841) AM; HA; HC; FU; PM > (S1841) 6-chloro-N-(2-furylmethyl)-4-pyrimidinamine > (S1841) true $$$$ -ISIS- 11270914432D 9 6 0 0 0 0 0 0 0 0999 V2000 7.0417 -5.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -5.9667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7542 -5.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1875 -4.3542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 M END > (S1872) S1872 > (S1872) 2-hydrazino-N,N-dimethyl-1-ethanamine dihydrochloride > (S1872) 57659-80-0 > (S1872) AM > (S1872) true $$$$ -ISIS- 11270914432D 22 20 0 0 0 0 0 0 0 0999 V2000 3.9167 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -6.5042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3500 -3.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -3.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -5.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -6.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -4.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -4.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -6.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 3 1 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 3 2 0 0 0 0 9 1 2 0 0 0 0 10 22 1 0 0 0 0 11 17 1 0 0 0 0 12 3 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 4 1 0 0 0 0 16 11 1 0 0 0 0 17 18 1 0 0 0 0 18 5 1 0 0 0 0 19 5 1 0 0 0 0 20 5 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 10 21 1 0 0 0 0 M END > (S1873) S1873 > (S1873) 4-(2-hydrazinoethyl)morpholine dioxalate > (S1873) 1182284-48-5 > (S1873) AM; HC > (S1873) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 4.3750 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -3.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 2 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 9 4 1 0 0 0 0 M END > (S1875) S1875 > (S1875) 3-(4-aminophenyl)propanoic acid > (S1875) 2393-17-1 > (S1875) AC; AM; PP > (S1875) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 5.5625 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1292 -2.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -2.9375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -2.5500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -1.3167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -3.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 12 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 11 8 1 0 0 0 0 M END > (S1878) S1878 > (S1878) 4-methoxy-N-(2,2,2-trifluoroethyl)aniline > (S1878) 62158-95-6 > (S1878) AM; FL > (S1878) true $$$$ -ISIS- 11270914432D 14 13 0 0 0 0 0 0 0 0999 V2000 7.7500 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -7.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -6.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 -6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 12 2 0 0 0 0 6 3 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 5 11 1 0 0 0 0 M END > (S1884) S1884 > (S1884) 3-(4-hydrazinophenyl)propanoic acid hydrochloride > (S1884) 105323-52-2 > (S1884) AC; AM; PP > (S1884) true $$$$ -ISIS- 11270914432D 10 10 0 0 0 0 0 0 0 0999 V2000 2.1792 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -3.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2167 -3.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 4 5 1 0 0 0 0 M END > (S1891) S1891 > (S1891) 4-(tert-butyl)-1,3-thiazol-2-amine > (S1891) 74370-93-7 > (S1891) AM; HC > (S1891) 4-(tert-butyl)-1,3-thiazol-2-ylamine > (S1891) true $$$$ -ISIS- 07201111452D 13 14 0 0 0 0 0 0 0 0999 V2000 4.6042 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -1.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -2.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -3.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 5 2 0 0 0 0 10 7 1 0 0 0 0 11 6 2 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 11 12 1 0 0 0 0 4 3 1 0 0 0 0 M END > (S1902) S1902 > (S1902) 5-amino-2,3-dihydro-1,4-phthalazinedione > (S1902) 521-31-3 > (S1902) AM; HC > (S1902) true $$$$ -ISIS- 07201111452D 18 19 0 0 0 0 0 0 0 0999 V2000 4.2167 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 14 18 2 0 0 0 0 13 17 2 0 0 0 0 M END > (S1936) S1936 > (S1936) 1,5-Diphenylcarbohydrazide > (S1936) 140-22-7 > (S1936) AM > (S1936) true $$$$ -ISIS- 07201111452D 18 19 0 0 0 0 0 0 0 0999 V2000 5.9667 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -6.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -5.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 M END > (S1937) S1937 > (S1937) (E)-N',2-diphenyl-1-diazenecarbohydrazide > (S1937) 538-62-5 > (S1937) AM > (S1937) true $$$$ -ISIS- 11270914432D 11 9 0 0 0 0 0 0 0 0999 V2000 2.2667 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -2.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2583 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 M END > (S1945) S1945 > (S1945) 1-isopropylhydrazine oxalate > (S1945) 6629-61-4 > (S1945) AM > (S1945) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 5.6042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0292 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.9292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > (S1946) S1946 > (S1946) 2-amino-2-(2-bromophenyl)acetic acid > (S1946) 254762-66-8 > (S1946) AC; AM; HA; PG > (S1946) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 5.6042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0292 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.9292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > (S1947) S1947 > (S1947) 2-amino-2-(2-fluorophenyl)acetic acid > (S1947) 84145-28-8 > (S1947) AC; AM; FL; PG > (S1947) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 5.6042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0292 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > (S1948) S1948 > (S1948) 2-amino-2-(2-chlorophenyl)acetic acid > (S1948) 88744-36-9 > (S1948) AC; AM; PG > (S1948) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 6.3167 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 10 12 2 0 0 0 0 M END > (S1949) S1949 > (S1949) 2-amino-2-(2-methylphenyl)acetic acid > (S1949) 129592-98-9 > (S1949) AC; AM; PG > (S1949) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.0292 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8875 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -5.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 7 12 2 0 0 0 0 M END > (S1950) S1950 > (S1950) 2-amino-2-(3-fluorophenyl)acetic acid > (S1950) 7292-74-2 > (S1950) AC; AM; FL; PG > (S1950) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.3875 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2417 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -5.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 7 12 2 0 0 0 0 M END > (S1951) S1951 > (S1951) 2-amino-2-(3-chlorophenyl)acetic acid > (S1951) 7292-71-9 > (S1951) AC; AM; PG > (S1951) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 3.4917 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3500 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -4.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 8 11 2 0 0 0 0 M END > (S1952) S1952 > (S1952) 2-amino-2-(3-methylphenyl)acetic acid > (S1952) 187979-43-7 > (S1952) AC; AM; PG > (S1952) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 7.5125 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3667 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 8 12 2 0 0 0 0 M END > (S1953) S1953 > (S1953) 2-amino-2-(3-methoxyphenyl)acetic acid > (S1953) 7314-43-4 > (S1953) AC; AM; PG > (S1953) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 7.5125 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0792 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -7.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 10 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 11 9 2 0 0 0 0 M END > (S1954) S1954 > (S1954) 2-amino-2-(4-methoxyphenyl)acetic acid > (S1954) 19789-59-4 > (S1954) AC; AM; PG > (S1954) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 6.6875 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -6.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4000 -6.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 6 2 1 0 0 0 0 M END > (S1999) S1999 > (S1999) ethyl piperidine-4-carboxylate > (S1999) 1126-09-6 > (S1999) AC; AM; HC; PD > (S1999) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 5.3917 -6.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3917 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -5.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -4.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 12 2 0 0 0 0 12 9 1 0 0 0 0 2 5 1 0 0 0 0 10 11 1 0 0 0 0 M END > (S2000) S2000 > (S2000) (1-methyl-1H-indol-3-yl)methanamine > (S2000) 19293-60-8 > (S2000) AM; HC; IN > (S2000) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 6.3125 -5.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -6.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -6.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -6.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 13 2 0 0 0 0 8 3 2 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 11 1 0 0 0 0 14 6 1 0 0 0 0 3 2 1 0 0 0 0 8 7 1 0 0 0 0 M END > (S2004) S2004 > (S2004) 2-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylic acid > (S2004) 189497-99-2 > (S2004) AC; AM; HC > (S2004) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 0.8375 -2.5542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2542 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -2.1417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8375 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -1.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 6 11 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 5 6 1 0 0 0 0 2 3 2 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S2006) S2006 > (S2006) 6-nitro-1,3-benzothiazol-2-amine > (S2006) 6285-57-0 > (S2006) AM; HC; NT > (S2006) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 3.2917 -3.9000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5750 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -4.7250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0042 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -4.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 4 10 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2015) S2015 > (S2015) 4-amino-3-nitrobenzoic acid > (S2015) 1588-83-6 > (S2015) AC; AM; NT > (S2015) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 4.4500 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 5 8 1 0 0 0 0 12 14 1 0 0 0 0 M END > (S2019) S2019 > (S2019) 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide > (S2019) 1182284-30-5 > (S2019) AM > (S2019) true $$$$ -ISIS- 11270914432D 8 8 0 0 0 0 0 0 0 0999 V2000 5.1292 -2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4875 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 4 8 1 1 0 0 0 5 6 1 0 0 0 0 M END > (S2022) S2022 > (S2022) (5S)-5-(hydroxymethyl)pyrrolidin-2-one > (S2022) 17342-08-4 > (S2022) AM; HC > (S2022) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 7.7417 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -4.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 7 5 1 0 0 0 0 M END > (S2023) S2023 > (S2023) 2-amino-4-hydroxy-5-methoxybenzoic acid > (S2023) 63407-32-9 > (S2023) AC; AM > (S2023) true $$$$ -ISIS- 11270914432D 9 9 0 0 0 0 0 0 0 0999 V2000 6.2292 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -2.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.0375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 7 5 1 0 0 0 0 M END > (S2026) S2026 > (S2026) 5-bromo-2-methylaniline > (S2026) 39478-78-9 > (S2026) AM; HA > (S2026) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 7.2167 -6.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9667 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -5.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -5.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -8.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -4.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 8 2 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 5 4 1 0 0 0 0 11 14 2 0 0 0 0 M END > (S2030) S2030 > (S2030) [1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanamine > (S2030) 938121-64-3 > (S2030) AM; HC; PY > (S2030) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 6.6917 -7.1375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9750 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -7.9625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4042 -6.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 4 10 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (S2032) S2032 > (S2032) methyl 4-amino-3-nitrobenzoate > (S2032) 3987-92-6 > (S2032) AC; AM; NT > (S2032) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 4.1292 -3.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -5.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -5.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 13 2 0 0 0 0 8 3 2 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 11 1 0 0 0 0 14 6 1 0 0 0 0 15 14 1 0 0 0 0 3 2 1 0 0 0 0 8 7 1 0 0 0 0 M END > (S2043) S2043 > (S2043) methyl 2-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylate > (S2043) 884001-27-8 > (S2043) AC; AM; HC > (S2043) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 6.9000 -6.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.6542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -5.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -6.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 10 2 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 2 4 1 0 0 0 0 8 6 1 0 0 0 0 M END > (S2045) S2045 > (S2045) 1,3-benzothiazol-6-amine hydrochloride > (S2045) 854067-23-5 > (S2045) AM; HC > (S2045) true $$$$ -ISIS- 11270914432D 11 9 0 0 0 0 0 0 0 0999 V2000 5.9625 -6.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.2917 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -5.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5542 -5.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3042 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -4.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -4.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -5.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -5.3750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 4 5 1 0 0 0 0 M END > (S2046) S2046 > (S2046) 3,4-diaminotetrahydro-1H-1lambda~6~-thiophene-1,1-dione dihydrochloride > (S2046) 70519-79-8 > (S2046) AM; HC > (S2046) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 3.6625 -1.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3792 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -1.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -1.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 12 10 1 0 0 0 0 M END > (S2047) S2047 > (S2047) 2-phenylalanine > (S2047) 565-07-1 > (S2047) AC; AM > (S2047) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 6.3125 -5.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0292 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -5.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 8 10 2 0 0 0 0 M END > (S2048) S2048 > (S2048) 2-amino-2-(2-pyridinyl)acetic acid > (S2048) 62451-88-1 > (S2048) AC; AM; HC > (S2048) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 7.0292 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6000 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 5 10 2 0 0 0 0 M END > (S2049) S2049 > (S2049) 2-amino-2-(3-pyridinyl)acetic acid > (S2049) 59966-29-9 > (S2049) AC; AM; HC > (S2049) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 7.0375 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7542 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 9 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 8 4 2 0 0 0 0 M END > (S2050) S2050 > (S2050) 2-amino-2-(4-pyridinyl)acetic acid > (S2050) 53339-65-4 > (S2050) AC; AM; HC > (S2050) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 5.6042 -6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -6.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8917 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -4.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 5 2 0 0 0 0 13 8 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 8 5 1 0 0 0 0 14 15 2 0 0 0 0 M END > (S2051) S2051 > (S2051) 2-amino-2-(2-naphthyl)acetic acid > (S2051) 33741-78-5 > (S2051) AC; AM; PG > (S2051) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 0.8375 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -5.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -3.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 5 6 2 0 0 0 0 M END > (S2054) S2054 > (S2054) (3,4,5-trimethoxyphenyl)methanamine > (S2054) 18638-99-8 > (S2054) AM > (S2054) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 2.6667 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 9 11 1 0 0 0 0 7 6 2 0 0 0 0 M END > (S2060) S2060 > (S2060) 1,2,3,4-tetrahydro-7-quinolinol > (S2060) 58196-33-1 > (S2060) AM; HC > (S2060) true $$$$ -ISIS- 11270914432D 7 7 0 0 0 0 0 0 0 0999 V2000 0.1875 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -2.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8542 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 7 6 1 0 0 0 0 M END > (S2061) S2061 > (S2061) 1-cyclopentylhydrazine > (S2061) 24214-72-0 > (S2061) AM > (S2061) true $$$$ -ISIS- 11270914432D 12 11 0 0 0 0 0 0 0 0999 V2000 0.7125 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1417 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 M END > (S2086) S2086 > (S2086) [(tert-butoxycarbonyl)amino]acetic acid > (S2086) 4530-20-5 > (S2086) AC; AM > (S2086) true $$$$ -ISIS- 11270914432D 14 13 0 0 0 0 0 0 0 0999 V2000 6.0500 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -6.2917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3375 -6.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -5.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -5.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9125 -5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 M END > (S2087) S2087 > (S2087) [(tert-butoxycarbonyl)(ethyl)amino]acetic acid > (S2087) 149794-10-5 > (S2087) AC; AM > (S2087) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 5.4667 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -5.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 7 5 2 0 0 0 0 11 13 2 0 0 0 0 M END > (S2093) S2093 > (S2093) 1,1'-biphenyl-4-amine > (S2093) 92-67-1 > (S2093) AM; BP > (S2093) true $$$$ -ISIS- 11270914432D 14 16 0 0 0 0 0 0 0 0999 V2000 3.0417 -4.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -4.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -5.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 5 4 1 0 0 0 0 11 14 1 0 0 0 0 13 12 2 0 0 0 0 M END > (S2100) S2100 > (S2100) 1,3-dihydrospiro[benzimidazole-2,1'-cyclohexane] > (S2100) 3190-03-2 > (S2100) AM; HC > (S2100) true $$$$ -ISIS- 11270914432D 11 12 0 0 0 0 0 0 0 0999 V2000 3.2292 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -3.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.7625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1500 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -3.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 7 8 1 0 0 0 0 4 5 1 0 0 0 0 M END > (S2107) S2107 > (S2107) 4,4-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine > (S2107) 1182284-47-4 > (S2107) AM; HC > (S2107) true $$$$ -ISIS- 07201111452D 19 21 0 0 0 0 0 0 0 0999 V2000 4.1042 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -2.4292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -4.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 6 2 0 0 0 0 9 5 2 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 5 4 1 0 0 0 0 17 11 2 0 0 0 0 12 10 2 0 0 0 0 M END > (S2120) S2120 > (S2120) 3-(6-ethoxy-1,3-benzothiazol-2-yl)aniline > (S2120) - > (S2120) AM; HC > (S2120) true $$$$ -ISIS- 07201111452D 19 21 0 0 0 0 0 0 0 0999 V2000 -1.0958 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.3375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9458 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 10 2 0 0 0 0 16 9 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 5 4 1 0 0 0 0 12 16 2 0 0 0 0 13 11 2 0 0 0 0 M END > (S2121) S2121 > (S2121) 4-(6-ethoxy-1,3-benzothiazol-2-yl)aniline > (S2121) - > (S2121) AM; HC > (S2121) true $$$$ -ISIS- 07201111452D 12 12 0 0 0 0 0 0 0 0999 V2000 1.8542 -3.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8667 -2.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -4.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -4.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 7 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 11 12 1 0 0 0 0 M END > (S2122) S2122 > (S2122) N-(2,2,2-TRIFLUOROETHYL)ANILINE > (S2122) - > (S2122) AM; FL > (S2122) true $$$$ -ISIS- 07201111452D 19 21 0 0 0 0 0 0 0 0999 V2000 2.0667 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -1.4292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 1.3750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 2 2 0 0 0 0 11 9 1 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 16 2 0 0 0 0 6 7 2 0 0 0 0 17 18 1 0 0 0 0 19 15 1 0 0 0 0 M END > (S2156) S2156 > (S2156) 2-fluoro-N-4,5,6,7-tetrahydro-1-benzothien-2-ylbenzamide > (S2156) - > (S2156) AM; FL; HC > (S2156) true $$$$ -ISIS- 07201111452D 19 21 0 0 0 0 0 0 0 0999 V2000 1.6625 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 0.3083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 14 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 4 5 2 0 0 0 0 19 18 1 0 0 0 0 12 13 2 0 0 0 0 M END > (S2157) S2157 > (S2157) 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide > (S2157) - > (S2157) AM; FL; HC > (S2157) true $$$$ -ISIS- 07201111452D 17 18 0 0 0 0 0 0 0 0999 V2000 1.3042 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -1.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 0.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 14 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 4 6 2 0 0 0 0 12 13 2 0 0 0 0 M END > (S2158) S2158 > (S2158) N-(4,5-dimethylthien-2-yl)-4-fluorobenzamide > (S2158) - > (S2158) AM; FL; HC > (S2158) true $$$$ -ISIS- 07201111452D 17 18 0 0 0 0 0 0 0 0999 V2000 1.7167 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.0542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -1.1125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 9 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 6 7 2 0 0 0 0 17 15 2 0 0 0 0 M END > (S2159) S2159 > (S2159) N-(4,5-dimethylthien-2-yl)-2-fluorobenzamide > (S2159) - > (S2159) AM; FL; HC > (S2159) true $$$$ -ISIS- 07201111452D 18 20 0 0 0 0 0 0 0 0999 V2000 1.9917 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -1.0542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.1125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 13 1 0 0 0 0 16 9 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 7 6 2 0 0 0 0 12 15 1 0 0 0 0 18 16 2 0 0 0 0 M END > (S2160) S2160 > (S2160) N-5,6-dihydro-4H-cyclopenta[b]thien-2-yl-2-fluorobenzamide > (S2160) - > (S2160) AM; FL; HC > (S2160) true $$$$ -ISIS- 07201111452D 18 20 0 0 0 0 0 0 0 0999 V2000 1.5792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 0.2958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 14 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 17 1 0 0 0 0 5 4 2 0 0 0 0 16 18 1 0 0 0 0 12 13 2 0 0 0 0 M END > (S2161) S2161 > (S2161) N-5,6-dihydro-4H-cyclopenta[b]thien-2-yl-4-fluorobenzamide > (S2161) - > (S2161) AM; FL; HC > (S2161) true $$$$ -ISIS- 07201111452D 19 22 0 0 0 0 0 0 0 0999 V2000 5.9917 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -6.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -4.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -7.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -4.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -6.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 14 2 0 0 0 0 19 15 2 0 0 0 0 5 8 1 0 0 0 0 9 10 2 0 0 0 0 17 13 1 0 0 0 0 19 18 1 0 0 0 0 M END > (S2163) S2163 > (S2163) 3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothien-2-ylamine > (S2163) 143361-87-9 > (S2163) AM; HC > (S2163) true $$$$ -ISIS- 07201111452D 17 19 0 0 0 0 0 0 0 0999 V2000 5.9917 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -5.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -4.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -6.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -3.7250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -5.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 5 8 1 0 0 0 0 9 10 2 0 0 0 0 17 16 1 0 0 0 0 M END > (S2164) S2164 > (S2164) 3-(1,3-BENZOTHIAZOL-2-YL)-4,5-DIMETHYLTHIOPHEN-2-AMINE > (S2164) - > (S2164) AM; HC > (S2164) true $$$$ -ISIS- 07201111452D 13 13 0 0 0 0 0 0 0 0999 V2000 2.1417 0.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 7 3 2 0 0 0 0 M END > (S2167) S2167 > (S2167) ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate > (S2167) 774-07-2 > (S2167) AC; AM; HC; SH > (S2167) true $$$$ -ISIS- 12091012012D 15 15 0 0 0 0 0 0 0 0999 V2000 0.2167 -3.3042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3625 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.8917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2167 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -2.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -2.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 11 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 7 2 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 2 3 1 0 0 0 0 M CHG 2 1 1 9 -1 M END > (S2184) S2184 > (S2184) 4-nitrophthalamide > (S2184) 13138-53-9 > (S2184) AM; NT > (S2184) true $$$$ -ISIS- 12091012012D 11 11 0 0 0 0 0 0 0 0999 V2000 4.6667 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.1750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 10 6 1 0 0 0 0 M END > (S2188) S2188 > (S2188) 2-amino-5-bromobenzoic acid > (S2188) 5794-88-7 > (S2188) 219-221œ > (S2188) AC; AM; HA > (S2188) true $$$$ -ISIS- 12091012012D 12 13 0 0 0 0 0 0 0 0999 V2000 2.8917 -1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 4 2 1 0 0 0 0 12 10 2 0 0 0 0 M END > (S2247) S2247 > (S2247) 5-phenyl-1,3,4-oxadiazol-2-amine > (S2247) 1612-76-6 > (S2247) AM; HC > (S2247) 2-Amino-5-phenyl-1,3,4-oxadiazole > (S2247) true $$$$ -ISIS- 12091012012D 8 8 0 0 0 0 0 0 0 0999 V2000 0.1667 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -1.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -1.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 7 4 2 0 0 0 0 M END > (S2253) S2253 > (S2253) 4-methylpyrimidin-2-amine > (S2253) 108-52-1 > (S2253) AM; HC > (S2253) true $$$$ -ISIS- 07201111452D 14 15 0 0 0 0 0 0 0 0999 V2000 2.3417 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -0.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.5583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 12 1 0 0 0 0 11 8 1 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 4 1 0 0 0 0 4 5 1 0 0 0 0 10 11 2 0 0 0 0 M END > (S2287) S2287 > (S2287) 4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-amine > (S2287) 2928-00-9 > (S2287) AM; FL; HC > (S2287) true $$$$ -ISIS- 07201111452D 12 12 0 0 0 0 0 0 0 0999 V2000 2.1917 1.4000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.4667 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 1.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 8 1 0 0 0 0 11 8 1 0 0 0 0 M END > (S2294) S2294 > (S2294) 3-METHYLBENZENE-1-SULFONOHYDRAZIDE > (S2294) - > (S2294) AM; SA > (S2294) true $$$$ -ISIS- 07201111452D 15 15 0 0 0 0 0 0 0 0999 V2000 1.4000 1.2708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1167 1.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.3917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 2 1 0 0 0 0 13 6 1 0 0 0 0 14 6 1 0 0 0 0 15 6 1 0 0 0 0 10 7 2 0 0 0 0 M END > (S2295) S2295 > (S2295) 4-TERT-BUTYLBENZENESULFONOHYDRAZIDE > (S2295) - > (S2295) AM; SA > (S2295) true $$$$ -ISIS- 07201111452D 18 19 0 0 0 0 0 0 0 0999 V2000 2.1167 1.6833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8375 2.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 2.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 1.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 2 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 10 6 2 0 0 0 0 16 17 2 0 0 0 0 M END > (S2296) S2296 > (S2296) 4'-methyl-1,1'-biphenyl-4-sulfonohydrazide > (S2296) - > (S2296) AM; BP; SA > (S2296) true $$$$ -ISIS- 07201111452D 22 23 0 0 0 0 0 0 0 0999 V2000 1.4000 1.6833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 2.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 2.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 8 1 0 0 0 0 12 11 2 0 0 0 0 13 9 2 0 0 0 0 14 12 1 0 0 0 0 15 4 2 0 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 18 8 2 0 0 0 0 19 17 2 0 0 0 0 20 16 2 0 0 0 0 21 13 1 0 0 0 0 22 14 1 0 0 0 0 13 20 1 0 0 0 0 12 19 1 0 0 0 0 M END > (S2297) S2297 > (S2297) N-(3-methoxyphenyl)-2-[(3-methylphenyl)sulfonyl]acetamide > (S2297) - > (S2297) AM > (S2297) true $$$$ -ISIS- 12091012012D 21 22 0 0 0 0 0 0 0 0999 V2000 3.8542 -1.1417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.6500 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -0.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0