0 B15R1.78 CCCNCC(=O)OCc1ccccc1 AIFCHEM-94569013856 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.78 CCCOCC(=O)NCc1ccccc1 AIFCHEM-5876740065 [0,0,0,0,0,0|3,0,1]=4 2 B15R1.78 COCCNC(=O)COc1ccccc1 AIFCHEM-6017076951 [0,0,0,0,0,0|3,0,1]=4 3 B15R1.78 CSCCNC(=O)CCc1ccccc1 AIFCHEM-94598931451 [0,0,0,0,0,0|2,0,2]=4 4 B15R1.78 CSCCNC(=O)COc1ccccc1 AIFCHEM-5882541722 [0,0,0,0,0,0|3,0,1]=4 5 B15R1.78 CSCCNC(=O)CSc1ccccc1 AIFCHEM-94598925315 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.123 CCCCCCC=Cc1ccccn1 AIFCHEM-94560464166 [1,0,0,0,0,0|2,0,1]=4 7 B14R1.123 CCCCCCC=Cc1ccncc1 AIFCHEM-6325591789 [1,0,0,0,0,0|2,0,1]=4 8 B14R1.156 CCCNC(=O)CSc1ccccc1 AIFCHEM-94521372545 [1,0,0,0,0,0|2,0,1]=4 9 B16R1.51 CCCCCC(=O)NCc1ccc(cc1)Cl AIFCHEM-94554517360 [0,1,0,0,0,0|2,0,1]=4 10 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)Br AIFCHEM-5745474348 [0,1,0,0,0,0|1,0,2]=4 11 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)C AIFCHEM-94570978398 [0,1,0,0,0,0|1,0,2]=4 12 B16R1.51 CCCCNC(=O)CCc1ccc(cc1)O AIFCHEM-5693649097 [0,1,0,0,0,0|1,0,2]=4 13 B16R1.51 CCCCNC(=O)COc1ccc(cc1)Cl AIFCHEM-94570977155 [0,1,0,0,0,0|2,0,1]=4 14 B16R1.52 CCCCNC(=O)C#Cc1cccc(c1)Br AIFCHEM-94570980975 [0,1,0,0,0,0|1,0,2]=4 15 B16R1.52 CCCCNC(=O)CCc1cccc(c1)Cl AIFCHEM-5695881441 [0,1,0,0,0,0|1,0,2]=4 16 B16R1.688 CCCCNCC(=O)NCc1ccccc1 AIFCHEM-94523034287 [0,1,0,0,0,0|2,0,1]=4 17 B16R1.688 COCCCNC(=O)CCc1ccccc1 AIFCHEM-5601661319 [0,1,0,0,0,0|1,0,2]=4 18 B16R1.688 CSCCCNC(=O)C#Cc1ccccc1 AIFCHEM-94529064454 [0,1,0,0,0,0|1,0,2]=4 19 B16R1.688 CSCCCNC(=O)CSc1ccccc1 AIFCHEM-94529057234 [0,1,0,0,0,0|2,0,1]=4 20 B16R1.688 O=C(CCCCCO)NCc1ccccc1 AIFCHEM-94554635587 [0,1,0,0,0,0|2,0,1]=4 21 B16R1.1343 CCC(C)CNC(=O)COc1ccccc1 AIFCHEM-94534477427 [0,1,0,0,0,0|2,0,1]=4 22 B16R1.1343 CCC(F)CNC(=O)CCc1ccccc1 AIFCHEM-5870432149 [0,1,0,0,0,0|1,0,2]=4 23 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 AIFCHEM-94539157445 [0,1,0,0,0,0|2,0,1]=4 24 B16R1.1570 CCCC(C)CC(=O)NCc1ccccc1 AIFCHEM-94554640283 [0,1,0,0,0,0|2,0,1]=4 25 B16R1.1570 CCCC(C)NC(=O)CCc1ccccc1 AIFCHEM-94560482643 [0,1,0,0,0,0|1,0,2]=4 26 B16R1.1570 CCCC(C)NC(=O)COc1ccccc1 AIFCHEM-94560477421 [0,1,0,0,0,0|2,0,1]=4 27 B16R1.1570 CCCC(C)NC(=O)CSc1ccccc1 AIFCHEM-94560476507 [0,1,0,0,0,0|2,0,1]=4 28 B16R1.1570 CCC[C@@H](C)NC(=O)CCc1ccccc1 AIFCHEM-6086372675 [0,1,0,0,0,0|1,0,2]=4 29 B16R1.1570 CCC[C@@H](C)NC(=O)COc1ccccc1 AIFCHEM-6011243817 [0,1,0,0,0,0|2,0,1]=4 30 B16R1.1570 CCC[C@@H](C)NC(=O)CSc1ccccc1 AIFCHEM-6033368295 [0,1,0,0,0,0|2,0,1]=4 31 B16R1.1570 CCC[C@H](C)NC(=O)CCc1ccccc1 AIFCHEM-5686721641 [0,1,0,0,0,0|1,0,2]=4 32 B16R1.1570 CCC[C@H](C)NC(=O)COc1ccccc1 AIFCHEM-5686665827 [0,1,0,0,0,0|2,0,1]=4 33 B16R1.1570 CCC[C@H](C)NC(=O)CSc1ccccc1 AIFCHEM-5683825552 [0,1,0,0,0,0|2,0,1]=4 34 B16R1.1696 CCCCCC(=O)NCc1ccccc1O AIFCHEM-94592068171 [0,1,0,0,0,0|2,0,1]=4 35 B16R1.1696 CCCCNC(=O)C#Cc1ccccc1C AIFCHEM-94570984086 [0,1,0,0,0,0|1,0,2]=4 36 B16R2.2441 CCCCNc1cc2ccccc2cn1 AIFCHEM-94523035573 [0,0,0,1,0,0|3,0,0]=4 37 B16R2.2441 CCCCNc1cnc2ccccc2n1 AIFCHEM-94523038989 [0,0,0,1,0,0|3,0,0]=4 38 B16R2.3193 C[C@@H]1C[C@H]1NC(=O)COc2ccccc2 AIFCHEM-94559013093 [0,0,0,1,0,0|2,0,1]=4 39 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 AIFCHEM-94554641547 [0,0,0,1,0,0|2,0,1]=4 40 B16R2.44153 O=C(CSc1ccccc1)NCC2CC2 AIFCHEM-5944563426 [0,0,0,1,0,0|2,0,1]=4 41 B16R1.1694 C#CCCNC(=O)C/C=C/c1ccccc1 AIFCHEM-94541766169 [0,0,0,0,0,1|1,0,2]=4 42 B16R1.1694 COCCNC(=O)C/C=C/c1cccnc1 AIFCHEM-94572191674 [0,0,0,0,0,1|3,0,0]=4 43 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 AIFCHEM-5720469664 [0,0,0,0,0,1|2,0,1]=4 44 B15R1.12 CCCCCCC=Cc1ccc(cc1)F AIFCHEM-94560463903 [1,1,0,0,0,0|1,0,1]=4 45 B15R1.12 CCCCCCC=Cc1ccc(cc1)O AIFCHEM-94601035071 [1,1,0,0,0,0|1,0,1]=4 46 B15R1.35 CCCCCCCC=Cc1ccccc1 AIFCHEM-6322664646 [1,1,0,0,0,0|1,0,1]=4 47 B15R1.106 CCCCCCC=Cc1cccc(c1)F AIFCHEM-6353633950 [1,1,0,0,0,0|1,0,1]=4 48 B15R1.220 CCCCCCC=Cc1ccccc1F AIFCHEM-94560462743 [1,1,0,0,0,0|1,0,1]=4 49 B15R1.127 CCCCC(=O)NCc1cccc(c1)C AIFCHEM-94534075228 [1,1,0,0,0,0|1,0,1]=4 50 B15R1.139 CCCCC(=O)NCc1ccc(cc1)C AIFCHEM-94534099934 [1,1,0,0,0,0|1,0,1]=4 51 B15R1.1208 CCCCC(=O)NCc1ccccc1O AIFCHEM-94592066588 [1,1,0,0,0,0|1,0,1]=4 52 B15R1.93 CCCCNC(=O)C(C)c1ccccc1 AIFCHEM-5736745249 [0,1,0,0,1,0|1,0,1]=4 53 B15R1.93 CCCCNC(=O)[C@@H](C)c1ccccc1 AIFCHEM-5726305228 [0,1,0,0,1,0|1,0,1]=4 54 B15R1.93 CCCCNC(=O)[C@H](C)c1ccccc1 AIFCHEM-94570984232 [0,1,0,0,1,0|1,0,1]=4 55 B15R1.128 CCCCCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586014354 [0,1,0,0,1,0|2,0,0]=4 56 B15R1.128 CCCCNC(=O)Cc1ccc(cc1)Br AIFCHEM-5695578276 [0,1,0,0,1,0|1,0,1]=4 57 B15R1.129 CCCCCC(=O)Nc1cccc(c1)Cl AIFCHEM-94523495878 [0,1,0,0,1,0|2,0,0]=4 58 B17R1.7823 CCCCCNC(=O)C/C=C/c1cccnc1 AIFCHEM-94522663509 [0,1,0,0,0,1|2,0,0]=4 59 B17R1.7823 CCSCCNC(=O)C/C=C/c1cccnc1 AIFCHEM-94572198833 [0,1,0,0,0,1|2,0,0]=4 60 B17R1.16611 CC(C)CCNC(=O)C/C=C/c1cccnc1 AIFCHEM-94572200334 [0,1,0,0,0,1|2,0,0]=4 61 B17R1.22068 COCC(C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-6034053237 [0,1,0,0,0,1|2,0,0]=4 62 B17R1.22068 COC[C@@H](C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-5766113745 [0,1,0,0,0,1|2,0,0]=4 63 B17R1.22068 COC[C@H](C)NC(=O)C/C=C/c1ccccc1 AIFCHEM-94592666018 [0,1,0,0,0,1|2,0,0]=4 64 B17R1.26833 CCC(F)CNC(=O)C/C=C/c1ccccc1 AIFCHEM-5801760957 [0,1,0,0,0,1|1,0,0]=3 65 B17R1.26833 CCC(F)CNC(=O)C/C=C/c1cccnc1 AIFCHEM-94572194129 [0,1,0,0,0,1|2,0,0]=4 66 B17R1.26833 COC(C)CNC(=O)C/C=C/c1ccccc1 AIFCHEM-5789352858 [0,1,0,0,0,1|2,0,0]=4 67 B17R1.26833 CO[C@@H](C)CNC(=O)C/C=C/c1ccccc1 AIFCHEM-94592677621 [0,1,0,0,0,1|2,0,0]=4 68 B17R1.26833 CO[C@H](C)CNC(=O)C/C=C/c1ccccc1 AIFCHEM-94592677622 [0,1,0,0,0,1|2,0,0]=4 69 B17R1.5074 CCCCOCC(=O)NCc1ccccc1O AIFCHEM-94592070610 [0,2,0,0,0,0|1,0,1]=4 70 B15R2.505 CC1CC1C(=O)NCc2ccccc2 AIFCHEM-94539156284 [1,0,0,1,0,0|1,0,1]=4 71 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 AIFCHEM-5855539913 [1,0,0,1,0,0|1,0,1]=4 72 B15R2.505 C[C@H]1C[C@@H]1C(=O)NCc2ccccc2 AIFCHEM-94554636908 [1,0,0,1,0,0|1,0,1]=4 73 B15R2.2203 CCCCNc1cc2ccccc2s1 AIFCHEM-94523038105 [0,0,0,1,1,0|1,1,0]=4 74 B17R2.2343 CCCCNC(=O)c1c[nH]c2c1cncc2 AIFCHEM-94570976942 [0,0,0,1,0,1|2,0,0]=4 75 B17R2.2343 CCCCNC(=O)c1cnn2c1cccc2 AIFCHEM-5695797734 [0,0,0,1,0,1|2,0,0]=4 76 B17R2.2343 CCCCNC(=O)c1coc2c1cccc2 AIFCHEM-5745421437 [0,0,0,1,0,1|1,0,0]=3 77 B17R2.2343 CCCCNC(=O)c1n[nH]c2c1cccc2 AIFCHEM-5736657252 [0,0,0,1,0,1|2,0,0]=4 78 B17R2.2343 CCCCNC(=O)c1nsc2c1cccc2 AIFCHEM-94570981897 [0,0,0,1,0,1|2,0,0]=4 79 B17R2.2343 COCCNC(=O)c1csc2c1cccc2 AIFCHEM-6039354871 [0,0,0,1,0,1|2,0,0]=4 80 B17R2.3926 C[C@@H]1C[C@H]1NC(=O)C/C=C/c2ccccc2 AIFCHEM-94592678308 [0,0,0,1,0,1|1,0,0]=3 81 B17R2.2023 CCCCNc1ccc2cccc(c2c1)Br AIFCHEM-94523032877 [0,1,0,1,0,0|2,0,0]=4 82 B17R2.73925 CCCCNc1ccc2cc(ccc2c1)Br AIFCHEM-94523041021 [0,1,0,1,0,0|2,0,0]=4 83 B17R2.73925 CCCCNc1ccc2cc(ccc2n1)Br AIFCHEM-94523041809 [0,1,0,1,0,0|2,0,0]=4 84 B17R2.5879 CCCCC=Cc1ccc2ccccc2c1 AIFCHEM-6322077027 [0,1,0,1,0,0|2,0,0]=4 85 B17R2.10256 CCCNCc1c(ccc2c1cccc2)O AIFCHEM-5790576288 [0,1,0,1,0,0|1,0,1]=4 86 B17R2.2322 CCCCNC(=O)c1cc2ccncc2[nH]1 AIFCHEM-5745654080 [0,1,0,1,0,0|2,0,0]=4 87 B17R2.2322 CCCCNC(=O)c1cc2cnccc2[nH]1 AIFCHEM-5726054450 [0,1,0,1,0,0|2,0,0]=4 88 B17R2.2322 CCCCNC(=O)c1cc2ncccc2[nH]1 AIFCHEM-5736754274 [0,1,0,1,0,0|2,0,0]=4 89 B17R2.2322 CCCCNC(=O)c1nc2ccccc2s1 AIFCHEM-94570981529 [0,1,0,1,0,0|2,0,0]=4 90 B17R2.12116 CCCCNc1cc2ccccc2cc1I AIFCHEM-94523028960 [0,1,0,1,0,0|2,0,0]=4 91 B17R2.103529 CCCCNc1ccc2c(cccc2c1)O AIFCHEM-94523035290 [0,1,0,1,0,0|2,0,0]=4 92 B17R3.123564 c1ccc2nc(ccc2c1)NC3CCC3 AIFCHEM-94576055396 [0,0,0,2,0,0|2,0,0]=4 93 B13R1.44 CCCCC(=O)Nc1ccccn1 AIFCHEM-94586363259 [1,0,0,0,1,0|2,0,0]=4 94 B13R1.44 CCCCC(=O)Nc1ccncc1 AIFCHEM-94534099520 [1,0,0,0,1,0|2,0,0]=4