0 B14R1.818 CC(C)CC(=O)NCc1cccnc1 AIFCHEM-6239813416 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 AIFCHEM-94520550380 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.818 CC(C)NC(=O)CSc1ccncc1 AIFCHEM-94591216978 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.818 CC(O)CC(=O)NCc1ccccc1 AIFCHEM-94554639641 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158680 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158619 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.130 CC(C)CC(=O)NCc1ccccc1O AIFCHEM-94592072496 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.130 CC(C)NC(=O)COc1ccccc1F AIFCHEM-94520548311 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.130 Cc1ccccc1C#CC(=O)NC(C)C AIFCHEM-94520551006 [0,1,0,0,0,0|1,0,2]=4 9 B15R1.130 Cc1ccccc1CNC(=O)CC(C)C AIFCHEM-6159457016 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.130 Cc1ccccc1OCC(=O)NC(C)C AIFCHEM-94520546235 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.496 CC(C)NC(=O)C(C)Oc1ccccc1 AIFCHEM-94520552285 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.496 CC(C)NC(=O)[C@@H](C)Oc1ccccc1 AIFCHEM-94520543552 [0,1,0,0,0,0|2,0,1]=4 13 B15R1.496 CC(C)NC(=O)[C@H](C)Oc1ccccc1 AIFCHEM-94520546313 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.870 CC(C)NC(=O)COc1ccc(cc1)I AIFCHEM-94520546252 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.870 Cc1ccc(cc1)CCC(=O)NC(C)C AIFCHEM-94520545318 [0,1,0,0,0,0|1,0,2]=4 16 B15R1.870 Cc1ccc(cc1)OCC(=O)NC(C)C AIFCHEM-94520552286 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.870 Cc1ccc(cc1)SCC(=O)NC(C)C AIFCHEM-94520548717 [0,1,0,0,0,0|2,0,1]=4 18 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 AIFCHEM-94520548313 [0,1,0,0,0,0|1,0,2]=4 19 B15R1.3465 CC(C)(C)CC(=O)NCc1ccccc1 AIFCHEM-94554635070 [0,1,0,0,0,0|2,0,1]=4 20 B15R1.3465 CC(C)(O)CC(=O)NCc1ccccc1 AIFCHEM-94539158678 [0,1,0,0,0,0|2,0,1]=4 21 B15R1.3678 CC(C)C(C)C(=O)NCc1ccccc1 AIFCHEM-94554636791 [0,1,0,0,0,0|2,0,1]=4 22 B15R1.3678 CC(C)C(O)C(=O)NCc1ccccc1 AIFCHEM-5834471916 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.3678 CC(C)N(C)C(=O)CCc1ccccc1 AIFCHEM-94547948245 [0,1,0,0,0,0|1,0,2]=4 24 B15R1.3678 CC(C)N(C)C(=O)COc1ccccc1 AIFCHEM-94547943023 [0,1,0,0,0,0|2,0,1]=4 25 B15R1.3678 CC(C)[C@@H](O)C(=O)NCc1ccccc1 AIFCHEM-94554637630 [0,1,0,0,0,0|2,0,1]=4 26 B15R1.3678 CC(C)[C@H](O)C(=O)NCc1ccccc1 AIFCHEM-5867993911 [0,1,0,0,0,0|2,0,1]=4 27 B15R1.8263 CC(C)NC(=O)CCc1cccc(c1)Br AIFCHEM-94520548867 [0,1,0,0,0,0|1,0,2]=4 28 B15R1.8263 CC(C)NC(=O)CCc1cccc(c1)Cl AIFCHEM-94520546934 [0,1,0,0,0,0|1,0,2]=4 29 B15R1.8263 Cc1cccc(c1)OCC(=O)NC(C)C AIFCHEM-94520545666 [0,1,0,0,0,0|2,0,1]=4 30 B15R2.283 Cc1nnc(o1)C=Cc2ccccc2 AIFCHEM-94568533152 [0,0,0,1,0,0|2,0,1]=4 31 B15R2.505 CC1CC1C(=O)NCc2ccccc2 AIFCHEM-94539156284 [0,0,0,1,0,0|2,0,1]=4 32 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 AIFCHEM-5855539913 [0,0,0,1,0,0|2,0,1]=4 33 B15R2.505 C[C@H]1C[C@@H]1C(=O)NCc2ccccc2 AIFCHEM-94554636908 [0,0,0,1,0,0|2,0,1]=4 34 B15R2.24494 O=C(C#Cc1ccccc1)NC2CC2 AIFCHEM-94573326393 [0,0,0,1,0,0|1,0,2]=4 35 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 AIFCHEM-6146410233 [0,0,0,1,0,0|1,0,2]=4 36 B13R1.348 CC(C)CC(=O)Nc1ccccn1 AIFCHEM-5962320555 [0,0,0,0,1,0|3,0,0]=4 37 B13R1.351 CC(C)C(=O)NCc1ccncc1 AIFCHEM-94574679489 [0,0,0,0,1,0|2,0,1]=4 38 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 AIFCHEM-94563731673 [0,0,0,0,0,1|1,0,2]=4 39 B15R1.5919 CC(C)OCC(=O)NCc1ccccc1 AIFCHEM-94554639947 [0,0,0,0,0,1|1,0,1]=3 40 B15R1.5919 CC(C)OCC(=O)NCc1ccncc1 AIFCHEM-5828849454 [0,0,0,0,0,1|2,0,1]=4 41 B15R1.5919 CC(C)SCC(=O)NCc1ccccc1 AIFCHEM-5794768640 [0,0,0,0,0,1|1,1,1]=4 42 B15R1.9084 CC(C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-94520546321 [0,0,0,0,0,1|1,0,0]=2 43 B15R1.9084 CC(C)NC(=O)C/C=C/c1cccnc1 AIFCHEM-94572194987 [0,0,0,0,0,1|2,0,0]=3 44 B15R1.9084 CC(C)NC(=O)CCCc1ccccc1 AIFCHEM-94520546106 [0,0,0,0,0,1|1,0,2]=4 45 B15R1.9084 CC(C)NC(=O)CCOc1ccccc1 AIFCHEM-94520550804 [0,0,0,0,0,1|1,0,2]=4 46 B15R1.9084 CC(C)NC(=O)CCSc1ccccc1 AIFCHEM-94520549511 [0,0,0,0,0,1|1,0,2]=4 47 B14R1.337 Cc1ccccc1CC(=O)NC(C)C AIFCHEM-94520550415 [0,1,0,0,1,0|1,0,1]=4 48 B14R1.337 Cc1ccccc1NC(=O)CC(C)C AIFCHEM-5892461333 [0,1,0,0,1,0|2,0,0]=4 49 B14R1.433 CC(C)(Cl)CC(=O)Nc1ccccc1 AIFCHEM-94604515586 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.698 CC(C)NC(=O)Cc1ccc(cc1)F AIFCHEM-94520548779 [0,1,0,0,1,0|1,0,1]=4 51 B14R1.698 CC(C)NC(=O)Cc1ccc(cc1)O AIFCHEM-94520545439 [0,1,0,0,1,0|1,0,1]=4 52 B14R1.698 Cc1ccc(cc1)CC(=O)NC(C)C AIFCHEM-94520550257 [0,1,0,0,1,0|1,0,1]=4 53 B14R1.5978 CC(C)CC(=O)Nc1cccc(c1)O AIFCHEM-94542290054 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.5978 CC(C)NC(=O)Cc1cccc(c1)Br AIFCHEM-94520546241 [0,1,0,0,1,0|1,0,1]=4 55 B14R1.161 CC(C)C(=O)NCc1ccccc1O AIFCHEM-94545042099 [0,1,0,0,1,0|1,0,1]=4 56 B14R1.161 Cc1ccccc1CNC(=O)C(C)C AIFCHEM-94545053996 [0,1,0,0,1,0|1,0,1]=4 57 B14R1.679 CC(C)C(=O)NCc1ccc(cc1)Br AIFCHEM-94545048579 [0,1,0,0,1,0|1,0,1]=4 58 B14R1.679 CC(C)C(=O)NCc1ccc(cc1)I AIFCHEM-94545048646 [0,1,0,0,1,0|1,0,1]=4 59 B16R1.400 CC(C)OCC(=O)NCc1ccccc1O AIFCHEM-94592071391 [0,1,0,0,0,1|1,0,1]=4 60 B16R1.1061 CC(C)OCC(=O)NCc1ccc(cc1)I AIFCHEM-94549227729 [0,1,0,0,0,1|1,0,1]=4 61 B16R1.1061 CC(C)OCC(=O)NCc1ccc(cc1)O AIFCHEM-94544423380 [0,1,0,0,0,1|1,0,1]=4 62 B16R1.11227 Cc1cccc(c1)CNC(=O)COC(C)C AIFCHEM-5758289949 [0,1,0,0,0,1|1,0,1]=4 63 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 AIFCHEM-94520549216 [0,1,0,0,0,1|1,0,1]=4 64 B16R1.612 CC(C)OC(=O)CNC(=O)c1ccccc1 AIFCHEM-94565575993 [0,1,0,0,0,1|0,0,1]=3 65 B16R1.612 CC(C)OC(=O)CNC(=O)c1cccnc1 AIFCHEM-6242561526 [0,1,0,0,0,1|1,0,1]=4 66 B16R1.849 C#CC(C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-5776998209 [0,1,0,0,0,1|1,0,1]=4 67 B16R1.849 C#C[C@H](C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-6008033140 [0,1,0,0,0,1|1,0,1]=4 68 B16R1.7323 CC(C)N(C)C(=O)C/C=C/c1ccccc1 AIFCHEM-94592673608 [0,1,0,0,0,1|1,0,0]=3 69 B14R2.21 O=C1C=C(CCC1)c2ccccc2 AIFCHEM-94590915155 [1,0,0,1,0,0|1,0,0]=3 70 B14R2.343 CC1CC1C(=O)Nc2ccccc2 AIFCHEM-94577033582 [0,0,0,1,1,0|2,0,0]=4 71 B14R2.343 C[C@@H]1C[C@H]1C(=O)Nc2ccccc2 AIFCHEM-94552045696 [0,0,0,1,1,0|2,0,0]=4 72 B14R2.343 C[C@H]1C[C@@H]1C(=O)Nc2ccccc2 AIFCHEM-94577030883 [0,0,0,1,1,0|2,0,0]=4 73 B16R2.520 CC(C)NC(=O)c1c[nH]c2c1cccn2 AIFCHEM-94520545444 [0,0,0,1,0,1|2,0,0]=4 74 B16R2.520 CC(C)NC(=O)c1n[nH]c2c1cccc2 AIFCHEM-94520549012 [0,0,0,1,0,1|2,0,0]=4 75 B16R2.11592 CC(C)NC(=O)c1cc2ccccc2[nH]1 AIFCHEM-94520545234 [0,1,0,1,0,0|1,0,0]=3 76 B16R2.11592 CC(C)NC(=O)c1cc2ccccc2o1 AIFCHEM-94520549223 [0,1,0,1,0,0|1,0,0]=3 77 B16R2.11592 CC(C)NC(=O)c1cc2ccccc2s1 AIFCHEM-94520550323 [0,1,0,1,0,0|1,0,0]=3 78 B16R2.11592 CC(C)NC(=O)c1cc2ccccn2c1 AIFCHEM-94520548048 [0,1,0,1,0,0|2,0,0]=4 79 B16R2.11592 CC(C)NC(=O)c1cc2cccnc2s1 AIFCHEM-94520550091 [0,1,0,1,0,0|2,0,0]=4 80 B16R2.11592 CC(C)NC(=O)c1cc2ccncc2[nH]1 AIFCHEM-94520547321 [0,1,0,1,0,0|2,0,0]=4 81 B16R2.11592 CC(C)NC(=O)c1cc2cnccc2[nH]1 AIFCHEM-94520551249 [0,1,0,1,0,0|2,0,0]=4 82 B16R2.11592 CC(C)NC(=O)c1cc2ncccc2[nH]1 AIFCHEM-94520545869 [0,1,0,1,0,0|2,0,0]=4 83 B12R1.43 CC(C)C(=O)Nc1ccncc1 AIFCHEM-94545049393 [0,0,0,0,2,0|2,0,0]=4