0 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.32 Nc1ncc2ccccc2c1O 271570a_203496583355_100009994184 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,0,0,0,0,0|2,1,0]=4 7 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,0,0,0,0,0|2,1,0]=4 8 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,0,0,0,0,0|2,1,0]=4 9 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.371 Cc1ccc(c2c1cccc2)O 271570a_203496583355_100011215156 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.371 Cc1cnc(c2c1cccc2)O 271570a_203496583355_100000112005 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.371 Cc1ncc(c2c1cccc2)O 271570a_203496583355_100010239772 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.371 Nc1ccc(c2c1cccc2)O 271570a_203496583355_100000766797 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.371 Nc1cnc(c2c1cccc2)O 271570a_203496583355_200009868590 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.371 Nc1ncc(c2c1cccc2)O 271570a_203496583355_100010158575 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.371 O=c1[nH]cc(c2c1cncc2)O 271570a_203496583355_100010090797 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.371 O=c1[nH]nc(c2c1cccc2)O 271570a_203496583355_100010235092 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.371 Oc1ccc(c2c1cccc2)Br 271570a_203496583355_100012339872 [1,0,0,0,0,0|1,1,1]=4 29 B13R2.371 Oc1ccc(c2c1cccc2)F 271570a_203496583355_100011218216 [1,0,0,0,0,0|1,1,1]=4 30 B13R2.371 Oc1ccc(c2c1cccc2)O 271570a_203496583355_100000186334 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100000067196 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.371 Oc1cnc(c2c1cccc2)O 271570a_203496583355_100009816523 [1,0,0,0,0,0|2,0,1]=4 33 B15R2.6124 CNc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_200000210301 [0,1,0,0,0,0|3,0,0]=4 34 B15R2.6124 COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_200000210301 [0,1,0,0,0,0|3,0,0]=4 35 B15R2.6124 COc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_200000210301 [0,1,0,0,0,0|3,0,0]=4 36 B15R2.6124 [13CH3]Nc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_200025704644 [0,1,0,0,0,0|3,0,0]=4 37 B15R2.6124 [13CH3]Oc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_200025704644 [0,1,0,0,0,0|3,0,0]=4 38 B15R2.6124 [13CH3]Oc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_200025704644 [0,1,0,0,0,0|3,0,0]=4 39 B15R2.63814 Cn1c(=O)oc(=O)c2c1ccc(c2)O 271570a_203496583355_100009812665 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,0,1,0,0,0|3,0,0]=4 41 B13R1.89 CC(=C(C)c1ccccc1C=O)C 271570a_200000049429_100000211189 [0,0,1,0,0,0|3,0,0]=4 42 B13R1.464 C=CCC(=O)c1ccccc1C=C 1458a_100011830265_100000210623 [0,0,1,0,0,0|3,0,0]=4 43 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000036168_200000210301 [0,0,1,0,0,0|3,0,0]=4 44 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000210301_200000036168 [0,0,1,0,0,0|3,0,0]=4 45 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200000036168_200025704644 [0,0,1,0,0,0|3,0,0]=4 46 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000036168 [0,0,1,0,0,0|3,0,0]=4 47 B13R1.464 C=Cc1ccccc1C(=O)OCC 271570a_100011290941_100000169879 [0,0,1,0,0,0|2,0,1]=4 48 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [1,0,1,0,0,0|1,1,0]=4 52 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [1,0,1,0,0,0|1,0,1]=4 54 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [1,0,1,0,0,0|2,0,0]=4 59 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [2,0,0,0,0,0|1,0,1]=4 64 B14R1.29 O=C(C=CCl)CC(=O)c1ccccc1 1458a_200016279998_100000211460 [0,1,1,0,0,0|2,0,0]=4 65 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [1,1,0,0,0,0|2,0,0]=4 67 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.203 CNc1c(ccc2c1cccc2)Cl 34a_200009860907_200000210301 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Cl 34a_200009860907_200025704644 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)O 271570a_203496583355_200009814615 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [1,1,0,0,0,0|2,0,0]=4 78 B14R2.28480 Cc1nc2cccc(c2c(=O)o1)O 271570a_203496583355_200010128068 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.29365 Cc1cc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100010883700 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.1131 CNc1ccc(c2c1cccc2)Cl 34a_100011216319_200000210301 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1131 COc1ccc(c2c1cccc2)Cl 34a_100000211000_200000210301 [1,1,0,0,0,0|1,0,1]=4 84 B14R2.1131 COc1ccc(c2c1cccc2)Cl 7a_100000211000_200000210301 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.1131 O=Cc1ccc(c2c1cccc2)O 271570a_203496583355_100012359940 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.1131 [13CH3]Nc1ccc(c2c1cccc2)Cl 34a_100011216319_200025704644 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Cl 34a_100000211000_200025704644 [1,1,0,0,0,0|1,0,1]=4 88 B14R2.1131 [13CH3]Oc1ccc(c2c1cccc2)Cl 7a_100000211000_200025704644 [1,1,0,0,0,0|1,0,1]=4 89 B14R2.8751 O=c1[nH]cc(c2c1ccc(c2)F)O 271570a_203496583355_100010191626 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.11691 C=Cc1cccc2c1C(=O)OC2=O 271570a_100011290941_100010195870 [0,0,1,1,0,0|2,0,0]=4 91 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [1,0,0,0,1,0|2,0,0]=4 92 B14R1.163 C=CC(=O)COC(=O)c1ccccc1 1458a_100000185746_100000073877 [0,0,1,0,0,1|2,0,0]=4 93 B14R1.965 C=Cc1ccccc1NC(=O)C=CCl 11a_100012022501_200016279998 [0,0,1,0,0,1|2,0,0]=4 94 B14R1.965 C=Cc1ccccc1NC(=O)C=CCl 1626a_100012022501_200016279998 [0,0,1,0,0,1|2,0,0]=4 95 B14R1.965 O=Cc1ccccc1CC(=O)C=CCl 1458a_200016279998_200009853537 [0,0,1,0,0,1|2,0,0]=4