0 B14R1.540 CC[C@@H](NCC(C)C)c1ccccc1 AIFCHEM-94572979364 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.540 CC[C@H](NCC(C)C)c1ccccc1 AIFCHEM-94572980294 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.45 CC(C)CNC(=O)c1cccnc1 AIFCHEM-6179646778 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.45 CC(C)CNC(=O)c1ccncn1 AIFCHEM-6146598324 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.45 CC(C)CNC(=O)c1ccnnc1 AIFCHEM-6144617235 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.45 CC(C)CNC(=O)c1cnccn1 AIFCHEM-94563734852 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.6 CC(C)CNc1cnc2n1cccc2 AIFCHEM-94572978999 [0,0,0,1,0,0|3,0,0]=4 7 B15R2.467 CC1(CC=C(CC1)c2cccnc2)C AIFCHEM-6441679557 [0,0,0,1,0,0|2,0,1]=4 8 B13R1.713 CCN(CC(C)C)c1ccccc1 AIFCHEM-94562512824 [0,0,0,0,1,0|2,0,1]=4 9 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [2,0,0,0,0,0|1,0,0]=3 10 B14R1.160 CC(C)CNC(=O)c1c[nH]ccc1=O AIFCHEM-94563732532 [1,1,0,0,0,0|2,0,0]=4 11 B14R1.160 CC(C)CNC(=O)c1ccc[nH]c1=O AIFCHEM-6162856171 [1,1,0,0,0,0|2,0,0]=4 12 B14R1.160 CC(C)CNC(=O)c1ccccc1Cl AIFCHEM-94562158514 [1,1,0,0,0,0|1,0,0]=3 13 B14R1.160 CC(C)CNC(=O)c1ccccc1I AIFCHEM-94563734091 [1,1,0,0,0,0|1,0,0]=3 14 B14R1.160 CC(C)CNC(=O)c1ccncc1I AIFCHEM-94563732317 [1,1,0,0,0,0|2,0,0]=4 15 B14R1.160 Cc1cccnc1C(=O)NCC(C)C AIFCHEM-94563726548 [1,1,0,0,0,0|2,0,0]=4 16 B14R1.160 Cc1ncccc1C(=O)NCC(C)C AIFCHEM-94563730459 [1,1,0,0,0,0|2,0,0]=4 17 B14R1.163 CC(C#N)CNC(=O)c1ccccc1 AIFCHEM-94565586155 [1,1,0,0,0,0|1,0,1]=4 18 B14R1.163 COC(C)CNC(=O)c1ccccc1 AIFCHEM-94565583674 [1,1,0,0,0,0|1,0,0]=3 19 B14R1.163 CO[C@@H](C)CNC(=O)c1ccccc1 AIFCHEM-94565585501 [1,1,0,0,0,0|1,0,0]=3 20 B14R1.163 CO[C@H](C)CNC(=O)c1ccccc1 AIFCHEM-94608849716 [1,1,0,0,0,0|1,0,0]=3 21 B14R1.417 CC(C)CN(C)C(=O)c1ccccn1 AIFCHEM-94578923325 [1,1,0,0,0,0|2,0,0]=4 22 B14R1.678 CC(C)CNC(=O)c1ccc(cn1)Br AIFCHEM-94563730347 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.678 CC(C)CNC(=O)c1ccc(cn1)Cl AIFCHEM-94563733981 [1,1,0,0,0,0|2,0,0]=4 24 B14R1.678 CC(C)CNC(=O)c1ccc(cn1)I AIFCHEM-6179479297 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.678 Cc1ccc(nc1)C(=O)NCC(C)C AIFCHEM-94527139816 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.3098 CC(C)(C)CNC(=O)c1cccnc1 AIFCHEM-5909607595 [1,1,0,0,0,0|2,0,0]=4 27 B16R1.7295 Cc1cccc(c1)[C@H](NCC(C)C)C(=O)O AIFCHEM-94572972368 [0,2,0,0,0,0|1,0,1]=4 28 B16R1.18482 CCC(C)CNC(C(=O)N)c1ccccc1 AIFCHEM-5943488483 [0,2,0,0,0,0|1,0,1]=4 29 B16R1.18482 CCC(C)CN[C@@H](C(=O)N)c1ccccc1 AIFCHEM-6184481648 [0,2,0,0,0,0|1,0,1]=4 30 B16R1.18482 CCC(C)CN[C@H](C(=O)N)c1ccccc1 AIFCHEM-5918991342 [0,2,0,0,0,0|1,0,1]=4 31 B16R1.18482 CSC(C)CCN(C(=O)C)c1ccccc1 AIFCHEM-98290681533 [0,2,0,0,0,0|1,0,1]=4 32 B16R1.3942 CC(=O)N(CCC(C)(C)C)c1ccccc1 AIFCHEM-94685239324 [0,2,0,0,0,0|1,0,1]=4 33 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2ccccn2 AIFCHEM-94578926625 [1,0,0,1,0,0|2,0,0]=4 34 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2cccnc2 AIFCHEM-94559019052 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.352 O=C(NC1CC1F)c2ccccc2 AIFCHEM-94597371394 [1,0,0,1,0,0|2,0,0]=4 36 B14R2.352 O=C(N[C@@H]1C[C@@H]1F)c2ccccc2 AIFCHEM-94565576051 [1,0,0,1,0,0|2,0,0]=4 37 B14R2.352 O=C(N[C@@H]1C[C@H]1F)c2ccccc2 AIFCHEM-94565573687 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.352 O=C(N[C@H]1C[C@@H]1F)c2ccccc2 AIFCHEM-94565577041 [1,0,0,1,0,0|2,0,0]=4 39 B14R2.352 O=C(N[C@H]1C[C@H]1F)c2ccccc2 AIFCHEM-94565576050 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.422 CC1CN(C1)C(=O)c2ccncc2 AIFCHEM-5908308278 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.2 CC(=Cc1csc2c1cccc2)C AIFCHEM-6454978622 [0,0,0,1,1,0|0,1,1]=4 42 B16R2.2858 CC1(CC=C(CC1)c2ccc(cc2)F)C AIFCHEM-6306719197 [0,1,0,1,0,0|1,0,1]=4 43 B16R2.2858 CC1(CC=C(CC1)c2ccc(cc2)O)C AIFCHEM-94562883924 [0,1,0,1,0,0|1,0,1]=4 44 B16R2.6150 CC(=Cc1[nH]c2ccccc2c1C=O)C AIFCHEM-6315771610 [0,1,0,1,0,0|0,0,2]=4 45 B16R2.2947 CC(C)(O)C=Cc1csc2c1cccc2 AIFCHEM-6363450528 [0,1,0,1,0,0|0,1,1]=4 46 B16R2.3264 Cc1ccccc1C2=CCC(CC2)(C)C AIFCHEM-94536268462 [0,1,0,1,0,0|1,0,1]=4 47 B12R1.54 CC(C)CNC(=O)c1cc[nH]c1 AIFCHEM-94563734593 [1,0,0,0,1,0|2,0,0]=4 48 B12R1.54 CC(C)CNC(=O)c1ccco1 AIFCHEM-6162410015 [1,0,0,0,1,0|2,0,0]=4 49 B14R1.420 CC(C)CCNC(=O)c1ccncc1 AIFCHEM-6135956601 [1,0,0,0,0,1|1,0,1]=4 50 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 AIFCHEM-94552045876 [1,0,0,0,0,1|0,0,1]=3 51 B14R1.423 CC(C)CNC(=O)Cc1ccccn1 AIFCHEM-94576235871 [1,0,0,0,0,1|2,0,0]=4