0 B11R1.28 CCOC=Cc1ccncc1 AIFCHEM-6380433924 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.28 COCC=Cc1cncnc1 AIFCHEM-6417100516 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.14 CCC(=O)NCc1ccc(cc1)Br AIFCHEM-94526505617 [0,1,0,0,0,0|2,0,1]=4 4 B13R1.15 CCC(=O)NCc1cccc(c1)O AIFCHEM-94526510073 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.42 COCC(=O)NCc1cccnc1 AIFCHEM-6237937685 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.42 COCC(=O)NCc1ccncc1 AIFCHEM-94574678558 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.135 COC(C)C(=O)Nc1ccccc1 AIFCHEM-94552044371 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.135 CO[C@@H](C)C(=O)Nc1ccccc1 AIFCHEM-94577032985 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.135 CO[C@H](C)C(=O)Nc1ccccc1 AIFCHEM-94577032981 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.528 CCC(=O)NCc1ccccc1C AIFCHEM-94526511478 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.528 CCC(=O)NCc1ccccc1O AIFCHEM-94592074375 [0,1,0,0,0,0|2,0,1]=4 13 B13R2.10 Cc1cc(cs1)c2ccccc2 AIFCHEM-94590918294 [0,0,0,1,0,0|1,1,1]=4 14 B13R2.10 Cc1cc(no1)c2ccncc2 AIFCHEM-94530058765 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.10 O=C1C=C(CC1)c2cccnn2 AIFCHEM-6367892419 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.10 O=C1C=C(CC1)c2cnccn2 AIFCHEM-6364007988 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.10 O=C1C=C(CC1)c2cncnc2 AIFCHEM-6420943359 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.10 O=C1C=C(CC1)c2ncccn2 AIFCHEM-6335035436 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,0,0,0,1,0|3,0,0]=4 20 B13R1.718 COC(=O)CNCc1ccncc1 AIFCHEM-6212392937 [0,0,0,0,0,1|1,0,2]=4 21 B12R1.1 COCC=Cc1ccc(cc1)F AIFCHEM-6359501464 [1,1,0,0,0,0|0,0,1]=3 22 B12R1.1 COCC=Cc1ccc(nc1)O AIFCHEM-94542527616 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.28 CCCC=Cc1cccc(c1)F AIFCHEM-6382549502 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.28 CCOC=Cc1cccc(c1)C AIFCHEM-6334722464 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.28 COCC=Cc1cccc(c1)N AIFCHEM-94552694627 [1,1,0,0,0,0|0,0,1]=3 26 B12R1.28 COCC=Cc1ccnc(c1)C AIFCHEM-6316377501 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.28 COCC=Cc1ccnc(c1)N AIFCHEM-5896179721 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.28 COCC=Cc1cncc(c1)F AIFCHEM-6386304455 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.28 COCC=Cc1cncc(c1)N AIFCHEM-6196587424 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.28 COCC=Cc1cncc(c1)O AIFCHEM-6391339069 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.267 CCOC=Cc1ccccc1C AIFCHEM-94536265848 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.267 COCC=Cc1ccccc1F AIFCHEM-6203896649 [1,1,0,0,0,0|0,0,1]=3 33 B12R1.267 COCC=Cc1ccccc1O AIFCHEM-6341471182 [1,1,0,0,0,0|0,0,1]=3 34 B12R1.267 COCC=Cc1ccncc1C AIFCHEM-6297417169 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.267 COCC=Cc1ccncc1N AIFCHEM-5885975071 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.267 COCC=Cc1cnccc1F AIFCHEM-6319091736 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.21 Cc1ccc(cc1)C=CC(C)O AIFCHEM-94528939842 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.125 CC(O)C=Cc1ccccc1F AIFCHEM-6194306919 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.891 CC(C)(C)C=Cc1ccccc1 AIFCHEM-94590917879 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.891 CC(C)(O)C=Cc1ccccc1 AIFCHEM-94590917375 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.50 CCC(=O)Nc1cccc(c1)C AIFCHEM-94526499544 [0,1,0,0,1,0|2,0,0]=4 46 B14R1.13 COC(=O)CNCc1ccc(cc1)Br AIFCHEM-6212458962 [0,1,0,0,0,1|0,0,2]=4 47 B14R1.13 COC(=O)CNCc1ccc(cc1)C AIFCHEM-6234483971 [0,1,0,0,0,1|0,0,2]=4 48 B14R1.837 COC(=O)CNCc1ccccc1F AIFCHEM-6215795271 [0,1,0,0,0,1|0,0,2]=4 49 B14R1.837 COC(=O)CNCc1ccccc1O AIFCHEM-94532467104 [0,1,0,0,0,1|0,0,2]=4 50 B14R1.1025 COC(=O)CNCc1cccc(c1)Br AIFCHEM-6233615057 [0,1,0,0,0,1|0,0,2]=4 51 B14R1.1025 COC(=O)CNCc1cccc(c1)F AIFCHEM-6215910319 [0,1,0,0,0,1|0,0,2]=4 52 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl AIFCHEM-94554522635 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.32 COCC(=O)NCc1cccc(c1)O AIFCHEM-6127546607 [0,2,0,0,0,0|1,0,1]=4 54 B14R1.598 COCC(=O)NCc1ccccc1O AIFCHEM-94592073446 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.291 CC=Cc1ccoc1C(=O)OC AIFCHEM-6228628907 [0,0,1,1,0,0|1,0,1]=4 56 B12R1.291 CC=Cc1ccsc1C(=O)OC AIFCHEM-6296967894 [0,0,1,1,0,0|1,0,1]=4 57 B12R1.291 CC=Cc1cscc1C(=O)OC AIFCHEM-6326701266 [0,0,1,1,0,0|1,0,1]=4 58 B12R1.291 CC=Cc1sccc1C(=O)OC AIFCHEM-6404630446 [0,0,1,1,0,0|1,0,1]=4 59 B12R1.179 CC=Cc1ccc([nH]1)C(=O)OC AIFCHEM-6303655697 [0,0,1,1,0,0|1,0,1]=4 60 B12R1.179 CC=Cc1ccc(o1)C(=O)OC AIFCHEM-6288960479 [0,0,1,1,0,0|1,0,1]=4 61 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [1,0,0,1,0,0|0,0,1]=3 63 B12R2.2 C1=C(COC1)c2ccccn2 AIFCHEM-6314040887 [1,0,0,1,0,0|1,0,1]=4 64 B12R2.2 c1ccc(cc1)c2ccoc2 AIFCHEM-94590917358 [1,0,0,1,0,0|0,0,1]=3 65 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [1,0,0,1,0,0|1,0,1]=4 66 B12R2.6 O=C1C=C(CC1)c2ccsc2 AIFCHEM-6334266460 [0,0,0,1,1,0|2,0,0]=4 67 B14R2.8 COc1ncc(s1)c2ccncc2 AIFCHEM-94577740829 [0,0,0,1,0,1|1,1,0]=4 68 B14R2.95 C/C=C(\C)/c1coc2c1cccc2 AIFCHEM-94584220128 [0,0,0,1,0,1|2,0,0]=4 69 B14R2.21 O=C1C=C(CCC1)c2ccccc2 AIFCHEM-94590915155 [0,1,0,1,0,0|1,0,0]=3 70 B14R2.20 Nc1ccc(nc1)C2=CC(=O)CC2 AIFCHEM-6359073058 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)F AIFCHEM-6361631993 [0,1,0,1,0,0|1,0,0]=3 72 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)O AIFCHEM-94562881893 [0,1,0,1,0,0|1,0,0]=3 73 B14R2.22 Nc1cccc(c1)C2=CC(=O)CC2 AIFCHEM-5676611881 [0,1,0,1,0,0|1,0,0]=3 74 B14R2.22 O=C1C=C(CC1)c2cc(=O)cc[nH]2 AIFCHEM-6320077410 [0,1,0,1,0,0|2,0,0]=4 75 B14R2.22 O=C1C=C(CC1)c2cccc(c2)F AIFCHEM-6451263202 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.22 O=C1C=C(CC1)c2cncc(c2)O AIFCHEM-6392330322 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.101 C(=Cc1ccoc1)c2ccccc2 AIFCHEM-94568526419 [0,1,0,1,0,0|1,0,1]=4 78 B14R2.972 C/C=C(\C)/c1cc2ccccc2s1 AIFCHEM-94584217860 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.256 Cc1ccccc1C2=CC(=O)CC2 AIFCHEM-6371237292 [0,1,0,1,0,0|1,0,0]=3 80 B14R2.256 Nc1ccccc1C2=CC(=O)CC2 AIFCHEM-5922882528 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,0,0,0,1,0|1,0,0]=3 82 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [1,0,0,0,1,0|2,0,0]=4 84 B14R1.716 COC(=O)CCCNc1ccccc1 AIFCHEM-94552033058 [0,0,0,0,0,2|0,0,2]=4