0 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.328 Cc1nc(nc2c1cccc2)O 271570a_203496583355_100000046098 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.328 Nc1cc2ccccc2c(n1)O 271570a_203496583355_100009814382 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [0,0,0,0,0,0|1,0,1]=2 11 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [0,0,0,0,0,0|1,0,1]=2 12 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.328 O=c1cc(nc2n1cccc2)O 271570a_203496583355_100000707704 [0,0,0,0,0,0|2,0,2]=4 14 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [0,0,0,0,0,0|2,0,2]=4 15 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [0,0,0,0,0,0|2,0,2]=4 16 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,2]=4 19 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|1,0,2]=4 20 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [1,0,0,0,0,0|1,0,2]=4 22 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [1,0,0,0,0,0|1,0,2]=4 24 B14R2.1019 C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100011290941_100000090176 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [0,1,0,0,0,0|1,1,0]=3 26 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [0,1,0,0,0,0|2,1,0]=4 27 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [0,1,0,0,0,0|1,1,0]=3 28 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [0,1,0,0,0,0|2,1,0]=4 29 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100011290941_100000075698 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.1146 C=Cc1cc(=O)[nH]c2c1cccn2 271570a_100011290941_100010499609 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.1146 CNc1cc(=O)[nH]c2c1cccc2 27a_100102657272_100000075698 [0,1,0,0,0,0|2,0,0]=3 32 B14R2.1146 CNc1cc(=O)[nH]c2c1cccn2 27a_100102657272_100010499609 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.1146 CSc1cc(=O)[nH]c2c1cccc2 62a_200000210301_100000075698 [0,1,0,0,0,0|1,1,0]=3 34 B14R2.1146 CSc1cc(=O)[nH]c2c1cccn2 62a_200000210301_100010499609 [0,1,0,0,0,0|2,1,0]=4 35 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccc2 62a_200025704644_100000075698 [0,1,0,0,0,0|1,1,0]=3 36 B14R2.1146 [13CH3]Sc1cc(=O)[nH]c2c1cccn2 62a_200025704644_100010499609 [0,1,0,0,0,0|2,1,0]=4 37 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [0,1,0,0,0,0|1,0,1]=3 38 B14R2.8045 Nc1nc2c(cccc2c(=O)[nH]1)O 271570a_203496583355_100010142784 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.8045 O=c1[nH]c(=O)c2cccc(c2[nH]1)O 271570a_203496583355_100012357391 [0,1,0,0,0,0|1,0,0]=2 40 B14R2.8045 O=c1[nH]c(=O)c2ccnc(c2[nH]1)O 271570a_203496583355_209893295357 [0,1,0,0,0,0|2,0,0]=3 41 B14R2.8045 O=c1[nH]c2c(cccc2c(=O)o1)O 271570a_203496583355_100000695655 [0,1,0,0,0,0|0,0,0]=1 42 B14R2.8045 O=c1cc(c2cccc(c2[nH]1)O)O 271570a_203496583355_200010201894 [0,1,0,0,0,0|1,0,1]=3 43 B14R2.8188 Cn1c(nc2ccccc2c1=O)O 271570a_203496583355_200000215938 [0,1,0,0,0,0|1,0,2]=4 44 B14R2.8235 Cc1cc(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100009820897 [0,1,0,0,0,0|2,0,0]=3 45 B14R2.8235 Cc1cc(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011333642 [0,1,0,0,0,0|2,0,0]=3 46 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)O 271570a_203496583355_100000741707 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)O 271570a_203496583355_200009814615 [0,1,0,0,0,0|1,0,1]=3 48 B14R2.8235 Nc1nc2ccc(cc2c(=O)[nH]1)O 271570a_203496583355_100009815394 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.8235 O=C1Cc2ccc(cc2C(=O)N1)O 271570a_203496583355_100010161110 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,1,0,0,0,0|1,0,0]=2 51 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2o1)O 271570a_203496583355_200000725568 [0,1,0,0,0,0|2,0,0]=3 52 B14R2.8235 O=c1[nH]c2ccc(cc2c(=O)o1)O 271570a_203496583355_100000216498 [0,1,0,0,0,0|0,0,0]=1 53 B14R2.8235 O=c1cc(c2cc(ccc2[nH]1)O)O 271570a_203496583355_100000695641 [0,1,0,0,0,0|1,0,1]=3 54 B14R2.8235 O=c1cc(c2cc(ccc2o1)O)O 271570a_203496583355_100009814091 [0,1,0,0,0,0|2,0,1]=4 55 B14R2.28480 Cc1nc2cccc(c2c(=O)o1)O 271570a_203496583355_200010128068 [0,1,0,0,0,0|1,0,1]=3 56 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [0,1,0,0,0,0|0,0,0]=1 57 B14R2.29365 Cc1cc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100010883700 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.29365 Cc1nc2cc(ccc2c(=O)[nH]1)O 271570a_203496583355_100012357626 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.29365 Nc1nc(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100010077259 [0,1,0,0,0,0|2,0,0]=3 60 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,0,0,0|1,0,0]=2 61 B14R2.29365 O=c1[nH]c(=O)c2ccc(nc2[nH]1)O 271570a_203496583355_100000117996 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.29365 O=c1[nH]c2cc(ccc2c(=O)o1)O 271570a_203496583355_100000723304 [0,1,0,0,0,0|0,0,0]=1 63 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,0,1,0,0,0|2,0,1]=4 65 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,0,1,0,0,0|2,0,1]=4 66 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,0,1,0,0,0|3,0,0]=4 67 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,0,1,0,0,0|2,0,0]=3 68 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,0,1,0,0,0|2,0,0]=3 69 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,0,1,0,0,0|2,0,0]=3 70 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,0,1,0,0,0|2,0,0]=3 71 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,0,1,0,0,0|2,0,1]=4 72 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,0,1,0,0,0|2,0,0]=3 74 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,0,1,0,0,0|2,0,0]=3 75 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,0,1,0,0,0|2,0,0]=3 76 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,0,1,0,0,0|2,0,1]=4 77 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,0,1,0,0,0|2,0,1]=4 78 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,0,1,0,0,0|2,0,1]=4 79 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,0,1,0,0,0|2,0,1]=4 80 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,0,1,0,0,0|2,0,1]=4 81 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,0,1,0,0,0|3,0,0]=4 88 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,0,1,0,0,0|3,0,0]=4 89 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,0,1,0,0,0|3,0,0]=4 91 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,0,1,0,0,0|3,0,0]=4 92 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,0,1,0,0,0|3,0,0]=4 96 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,0,1,0,0,0|2,0,1]=4 97 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,0,1,0,0,0|2,0,1]=4 98 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,0,1,0,0,0|2,0,0]=3 100 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,0,1,0,0,0|2,0,0]=3 102 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,0,1,0,0,0|2,0,0]=3 103 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,0,1,0,0,0|2,0,0]=3 105 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,0,1,0,0,0|1,0,2]=4 106 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,0,1,0,0,0|3,0,0]=4 107 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,0,1,0,0,0|3,0,0]=4 108 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.40 C=C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100015277604_200009866310 [0,0,1,0,0,0|1,0,2]=4 110 B12R1.40 CC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016259895_200009866310 [0,0,1,0,0,0|1,0,2]=4 111 B12R1.75 C#Cc1ccccc1NC(=O)C 11a_100011470550_100015343762 [0,0,1,0,0,0|2,0,1]=4 112 B12R1.75 C#Cc1ccccc1NC(=O)C 1626a_100011470550_100015343762 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.75 C#Cc1ccccc1NC(=O)C 22a_100011470550_100000070787 [0,0,1,0,0,0|2,0,1]=4 114 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,0,1,0,0,0|3,0,0]=4 116 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,0,1,0,0,0|2,0,0]=3 117 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,0,1,0,0,0|2,0,0]=3 118 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,0,1,0,0,0|2,0,0]=3 119 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,0,1,0,0,0|2,0,0]=3 120 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,0,1,0,0,0|2,0,0]=3 121 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.75 C=Cc1cnccc1NC(=O)C 271570a_100011290941_100016132053 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,0,1,0,0,0|2,0,0]=3 125 B12R1.75 CC(=O)Nc1ccccc1C#N 11a_100000211148_100015343762 [0,0,1,0,0,0|2,0,1]=4 126 B12R1.75 CC(=O)Nc1ccccc1C#N 1626a_100000211148_100015343762 [0,0,1,0,0,0|2,0,1]=4 127 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,0,1,0,0,0|1,0,2]=4 128 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,0,1,0,0,0|3,0,0]=4 129 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,0,1,0,0,0|2,0,1]=4 133 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,0,1,0,0,0|2,0,1]=4 134 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,0,1,0,0,0|2,0,1]=4 135 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,0,1,0,0,0|3,0,0]=4 137 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,0,1,0,0,0|3,0,0]=4 138 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,0,1,0,0,0|3,0,0]=4 140 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,0,1,0,0,0|3,0,0]=4 141 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,0,1,0,0,0|3,0,0]=4 142 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,0,1,0,0,0|3,0,0]=4 143 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,0,1,0,0,0|3,0,0]=4 144 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,0,1,0,0,0|3,0,0]=4 146 B12R1.75 CSc1ccccc1NC(=O)N 62a_200000210301_100000742221 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.75 [13CH3]Sc1ccccc1NC(=O)N 62a_200025704644_100000742221 [0,0,1,0,0,0|3,0,0]=4 148 B12R1.100 C=CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020586998_100000015670 [0,0,1,0,0,0|2,0,1]=4 149 B12R1.100 C=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210623_100000015670 [0,0,1,0,0,0|2,0,1]=4 150 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,0,1,0,0,0|3,0,0]=4 151 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,0,1,0,0,0|2,0,0]=3 155 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,0,1,0,0,0|3,0,0]=4 156 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,0,1,0,0,0|3,0,0]=4 157 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,0,1,0,0,0|3,0,0]=4 158 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,0,1,0,0,0|3,0,0]=4 159 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,0,1,0,0,0|3,0,0]=4 160 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,0,1,0,0,0|3,0,0]=4 162 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,0,1,0,0,0|1,0,0]=2 164 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,0,1,0,0,0|3,0,0]=4 165 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,0,1,0,0,0|2,0,0]=3 166 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,0,1,0,0,0|3,0,0]=4 167 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,0,1,0,0,0|3,0,0]=4 168 B12R1.234 C=Cc1[nH]c(=O)[nH]c(=O)c1CC 271570a_100011290941_100000080397 [0,0,1,0,0,0|1,0,2]=4 169 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,0,1,0,0,0|3,0,0]=4 170 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [0,0,1,0,0,0|3,0,0]=4 171 B12R1.283 CCNc1ccccc1C(=O)N 34a_100000185089_100000210202 [0,0,1,0,0,0|2,0,1]=4 172 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [0,0,1,0,0,0|2,0,1]=4 173 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [0,0,1,0,0,0|2,0,1]=4 174 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [0,0,1,0,0,0|3,0,0]=4 175 B12R1.283 NC(=O)c1ccccc1NCF 34a_100000185089_100015361967 [0,0,1,0,0,0|2,0,1]=4 176 B12R1.283 O=C(O)c1ccccc1SCF 62a_100015361967_100000734275 [0,0,1,0,0,0|2,0,1]=4 177 B12R1.283 O=C(O)c1ccccc1SCF 62a_202125556159_100015361967 [0,0,1,0,0,0|2,0,1]=4 178 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [0,0,1,0,0,0|3,0,0]=4 179 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,0,1,0,0,0|3,0,0]=4 180 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,0,1,0,0,0|3,0,0]=4 181 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,0,1,0,0,0|3,0,0]=4 182 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,0,1,0,0,0|3,0,0]=4 183 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,0,1,0,0,0|3,0,0]=4 184 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,0,1,0,0,0|3,0,0]=4 185 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,0,1,0,0,0|3,0,0]=4 186 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,0,1,0,0,0|2,0,1]=4 187 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|2,0,1]=4 188 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,1,0|2,0,1]=4 189 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,1,0|2,0,1]=4 190 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 192 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 193 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,1,0,0,0|1,0,1]=4 194 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,1,0,0,0|1,0,1]=4 195 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,1,0,0,0|1,0,1]=4 196 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,1,0,0,0|1,0,1]=4 197 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,1,0,0,0|1,0,1]=4 198 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|0,0,2]=4 199 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|0,0,2]=4 200 B11R1.8 C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100011290941_200009866310 [1,0,1,0,0,0|1,0,1]=4 201 B11R1.34 C=C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100015277604_100000015670 [1,0,1,0,0,0|1,0,1]=4 202 B11R1.34 CC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016259895_100000015670 [1,0,1,0,0,0|1,0,1]=4 203 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,0,1,0,0,0|2,0,0]=4 204 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,0,1,0,0,0|2,0,0]=4 206 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,0,1,0,0,0|2,0,0]=4 207 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|2,0,0]=4 208 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [1,0,1,0,0,0|2,0,0]=4 212 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,0,1,0,0,0|2,0,0]=4 214 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,1,0,0,0|1,0,1]=4 215 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,1,0,0,0|1,0,1]=4 216 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,1,0,0,0|1,0,1]=4 217 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,1,0,0,0|1,0,1]=4 218 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,0,1,0,0,0|2,0,0]=4 219 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,0,1,0,0,0|2,0,0]=4 220 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,0,1,0,0,0|2,0,0]=4 221 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,0,1,0,0,0|2,0,0]=4 222 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,0,1,0,0,0|2,0,0]=4 223 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,0,1,0,0,0|2,0,0]=4 224 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,0,1,0,0,0|2,0,0]=4 225 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,0,1,0,0,0|2,0,0]=4 226 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,0,1,0,0,0|2,0,0]=4 227 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,0,1,0,0,0|2,0,0]=4 228 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,1,0,0,0|1,0,1]=4 229 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,1,0,0,0|1,0,1]=4 230 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,1,0,0,0|1,0,1]=4 231 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,1,0,0,0|1,0,1]=4 232 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|2,0,0]=4 234 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,1,0,0,0|2,0,0]=4 235 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,1,0,0,0|2,0,0]=4 236 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,1,0,0,0|2,0,0]=4 237 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,1,0,0,0|2,0,0]=4 238 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,1,0,0,0|2,0,0]=4 239 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|2,0,0]=4 240 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,0,1,0,0,0|2,0,0]=4 241 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,1,0,0,0|2,0,0]=4 242 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,1,0,0,0|2,0,0]=4 243 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,1,0,0,0|2,0,0]=4 244 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,1,0,0,0|2,0,0]=4 245 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,0,1,0,0,0|2,0,0]=4 246 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,0,1,0,0,0|1,0,1]=4 247 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,0,1,0,0,0|1,0,1]=4 248 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,0,1,0,0,0|1,0,1]=4 249 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,0,1,0,0,0|2,0,0]=4 250 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,0,1,0,0,0|1,0,1]=4 251 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,0,1,0,0,0|1,0,1]=4 252 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,0,1,0,0,0|1,0,1]=4 253 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,0,1,0,0,0|1,0,1]=4 254 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210193 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210193 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210193 [0,1,1,0,0,0|2,0,0]=4 257 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210193 [0,1,1,0,0,0|2,0,0]=4 258 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210193 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210193 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210193 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.19 C=CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210193 [0,1,1,0,0,0|2,0,0]=4 262 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210193 [0,1,1,0,0,0|2,0,0]=4 263 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210193 [0,1,1,0,0,0|2,0,0]=4 264 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210193 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.19 C=CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210193 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210193 [0,1,1,0,0,0|2,0,0]=4 267 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210193 [0,1,1,0,0,0|2,0,0]=4 268 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210193 [0,1,1,0,0,0|2,0,0]=4 269 B13R1.19 C=CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210193 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210193 [0,1,1,0,0,0|2,0,0]=4 271 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210193 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210193 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.19 C=CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210193 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.19 C=CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210193 [0,1,1,0,0,0|2,0,0]=4 275 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 276 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 277 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210699 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210699 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210699 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210699 [0,1,1,0,0,0|2,0,0]=4 281 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210699 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210699 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210699 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.19 CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210699 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.19 CCOC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000158341 [0,1,1,0,0,0|1,0,1]=4 292 B13R1.19 Cc1ccc(cc1)NC(=O)C=CBr 1626a_100000124888_100016273825 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.19 Cc1ccc(cc1)NC(=O)C=CCl 11a_100000124888_200016279998 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.19 Cc1ccc(cc1)NC(=O)C=CCl 1626a_100000124888_200016279998 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.19 Cc1ccc(cc1)NC(=O)C=CI 1626a_100000124888_100016256311 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Br 1626a_100000210018_100016273825 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)Cl 1626a_100000210052_100016273825 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)F 1626a_100000185862_100016273825 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.19 O=C(C=CBr)Nc1ccc(cc1)I 1626a_100000185761_100016273825 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Br 11a_100000210018_200016279998 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Br 1626a_100000210018_200016279998 [0,1,1,0,0,0|2,0,0]=4 302 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Cl 11a_100000210052_200016279998 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)Cl 1626a_100000210052_200016279998 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)F 11a_100000185862_200016279998 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)F 1626a_100000185862_200016279998 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)I 11a_100000185761_200016279998 [0,1,1,0,0,0|2,0,0]=4 307 B13R1.19 O=C(C=CCl)Nc1ccc(cc1)I 1626a_100000185761_200016279998 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Br 1626a_100000210018_100016256311 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.19 O=C(C=CI)Nc1ccc(cc1)Cl 1626a_100000210052_100016256311 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.19 O=C(C=CI)Nc1ccc(cc1)F 1626a_100000185862_100016256311 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.19 O=C(C=CI)Nc1ccc(cc1)I 1626a_100000185761_100016256311 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210193 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210193 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210193 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.20 C=CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210193 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210193 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210193 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210193 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.20 C=CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210193 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210193 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210193 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.20 C=CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210193 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210193 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210193 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210193 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.20 C=CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210193 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210193 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210193 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210193 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.20 C=CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210193 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210193 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210193 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.20 C=CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210193 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210699 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210699 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210699 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000210699 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210699 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000210699 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210699 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210699 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210699 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 11a_100000210047_100000210699 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210699 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000210699 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 11a_100000211102_100000210699 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210699 [0,1,1,0,0,0|2,0,0]=4 348 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000210699 [0,1,1,0,0,0|2,0,0]=4 349 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210699 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000210699 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.20 Cc1cccc(c1)NC(=O)C=CBr 1626a_100000188690_100016273825 [0,1,1,0,0,0|2,0,0]=4 352 B13R1.20 Cc1cccc(c1)NC(=O)C=CCl 11a_100000188690_200016279998 [0,1,1,0,0,0|2,0,0]=4 353 B13R1.20 Cc1cccc(c1)NC(=O)C=CCl 1626a_100000188690_200016279998 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.20 Cc1cccc(c1)NC(=O)C=CI 1626a_100000188690_100016256311 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.20 O=C(C=CBr)Nc1cccc(c1)Br 1626a_100000210019_100016273825 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.20 O=C(C=CBr)Nc1cccc(c1)Cl 1626a_100000185859_100016273825 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.20 O=C(C=CBr)Nc1cccc(c1)F 1626a_100000210047_100016273825 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.20 O=C(C=CBr)Nc1cccc(c1)I 1626a_100000211102_100016273825 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.20 O=C(C=CBr)Nc1cccc(c1)O 1626a_100000210217_100016273825 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Br 11a_100000210019_200016279998 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Br 1626a_100000210019_200016279998 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Cl 11a_100000185859_200016279998 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.20 O=C(C=CCl)Nc1cccc(c1)Cl 1626a_100000185859_200016279998 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.20 O=C(C=CCl)Nc1cccc(c1)F 11a_100000210047_200016279998 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.20 O=C(C=CCl)Nc1cccc(c1)F 1626a_100000210047_200016279998 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.20 O=C(C=CCl)Nc1cccc(c1)I 11a_100000211102_200016279998 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.20 O=C(C=CCl)Nc1cccc(c1)I 1626a_100000211102_200016279998 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.20 O=C(C=CCl)Nc1cccc(c1)O 1626a_100000210217_200016279998 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.20 O=C(C=CI)Nc1cccc(c1)Br 1626a_100000210019_100016256311 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.20 O=C(C=CI)Nc1cccc(c1)Cl 1626a_100000185859_100016256311 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.20 O=C(C=CI)Nc1cccc(c1)F 1626a_100000210047_100016256311 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.20 O=C(C=CI)Nc1cccc(c1)I 1626a_100000211102_100016256311 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.20 O=C(C=CI)Nc1cccc(c1)O 1626a_100000210217_100016256311 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.44 C=CC=CC(=O)Nc1ccccc1 1626a_100000106764_100016291481 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.44 C=CC=CC(=O)Nc1ccccc1 22a_100000106764_100016291481 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.44 C=CCNC(=O)Nc1ccccc1 2430a_100000106764_100020586998 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.44 CCOCC(=O)Nc1ccccc1 11a_100000106764_100000211967 [0,1,1,0,0,0|1,0,1]=4 389 B13R1.44 CCOCC(=O)Nc1ccccc1 1626a_100000106764_100000211967 [0,1,1,0,0,0|1,0,1]=4 390 B13R1.44 CCOCC(=O)Nc1ccccc1 22a_100000106764_100000211967 [0,1,1,0,0,0|1,0,1]=4 391 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210202 [0,1,1,0,0,0|1,0,1]=4 392 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100121572206_100000182850 [0,1,1,0,0,0|1,0,1]=4 393 B13R1.44 CCOCC(=O)Nc1ccccc1 527a_100000106764_100000211967 [0,1,1,0,0,0|1,0,1]=4 394 B13R1.44 COC=CC(=O)Nc1ccccc1 1626a_100000106764_100016268678 [0,1,1,0,0,0|1,0,1]=4 395 B13R1.44 COC=CC(=O)Nc1ccccc1 22a_100000106764_100016268678 [0,1,1,0,0,0|1,0,1]=4 396 B13R1.44 O=C(COCF)Nc1ccccc1 34a_100000246334_100015361967 [0,1,1,0,0,0|1,0,1]=4 397 B13R1.47 C=CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210193 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.47 C=CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210193 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.47 C=CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210193 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.47 CC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000210699 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.47 CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210699 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.47 CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000210699 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.47 CN(C(=O)C=CBr)c1ccccc1 1626a_100000210012_100016273825 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.47 CN(C(=O)C=CCl)c1ccccc1 11a_100000210012_200016279998 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.47 CN(C(=O)C=CCl)c1ccccc1 1626a_100000210012_200016279998 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.47 CN(C(=O)C=CI)c1ccccc1 1626a_100000210012_100016256311 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 11a_100000106764_100011216780 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011216780 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 22a_100000106764_100011216780 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 527a_100000106764_100011216780 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,1,1,0,0,0|1,0,0]=3 424 B13R1.348 CC(=O)CC(=O)Nc1ccccn1 1458a_100000070787_100020662008 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.348 CC(=O)CC(=O)Nc1ccncc1 1458a_100000070787_100000754145 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,1,1,0,0,0|1,0,0]=3 429 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,1,1,0,0,0|1,0,0]=3 430 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 1626a_100000106764_100000137448 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.470 C=CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210193 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.470 C=CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210193 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.470 C=CCC(=O)Nc1ccccc1C 11a_100015192222_100000210193 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.470 C=CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210193 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.470 C=CCC(=O)Nc1ccccc1C 22a_100015192222_100000210193 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.470 C=CCC(=O)Nc1ccccc1C 527a_100015192222_100000210193 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210193 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210193 [0,1,1,0,0,0|2,0,0]=4 439 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210193 [0,1,1,0,0,0|2,0,0]=4 440 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210193 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.470 C=CCC(=O)Nc1ccccc1F 11a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.470 C=CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.470 C=CCC(=O)Nc1ccccc1F 22a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.470 C=CCC(=O)Nc1ccccc1F 527a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.470 C=CCC(=O)Nc1ccccc1I 11a_100000210053_100000210193 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.470 C=CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210193 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.470 C=CCC(=O)Nc1ccccc1O 22a_100000185747_100000210193 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.470 C=CCC(=O)Nc1ccccc1O 527a_100000185747_100000210193 [0,1,1,0,0,0|2,0,0]=4 449 B13R1.470 CC=CC(=O)Nc1ccccc1Br 11a_100000210017_100000210699 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.470 CC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000210699 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.470 CC=CC(=O)Nc1ccccc1C 11a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.470 CC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.470 CC=CC(=O)Nc1ccccc1C 22a_100015192222_100000210699 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 455 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.470 CC=CC(=O)Nc1ccccc1F 11a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.470 CC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.470 CC=CC(=O)Nc1ccccc1F 22a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 460 B13R1.470 CC=CC(=O)Nc1ccccc1I 11a_100000210053_100000210699 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.470 CC=CC(=O)Nc1ccccc1I 1626a_100000210053_100000210699 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.470 CC=CC(=O)Nc1ccccc1O 22a_100000185747_100000210699 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.470 Cc1ccccc1NC(=O)C=CBr 1626a_100015192222_100016273825 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.470 Cc1ccccc1NC(=O)C=CCl 11a_100015192222_200016279998 [0,1,1,0,0,0|2,0,0]=4 465 B13R1.470 Cc1ccccc1NC(=O)C=CCl 1626a_100015192222_200016279998 [0,1,1,0,0,0|2,0,0]=4 466 B13R1.470 Cc1ccccc1NC(=O)C=CI 1626a_100015192222_100016256311 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.470 O=C(C=CBr)Nc1ccccc1Br 1626a_100000210017_100016273825 [0,1,1,0,0,0|2,0,0]=4 468 B13R1.470 O=C(C=CBr)Nc1ccccc1Cl 1626a_100000185783_100016273825 [0,1,1,0,0,0|2,0,0]=4 469 B13R1.470 O=C(C=CBr)Nc1ccccc1F 1626a_100000210422_100016273825 [0,1,1,0,0,0|2,0,0]=4 470 B13R1.470 O=C(C=CBr)Nc1ccccc1I 1626a_100000210053_100016273825 [0,1,1,0,0,0|2,0,0]=4 471 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 11a_100000210017_200016279998 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 1626a_100000210017_200016279998 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 11a_100000185783_200016279998 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 1626a_100000185783_200016279998 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.470 O=C(C=CCl)Nc1ccccc1F 11a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 476 B13R1.470 O=C(C=CCl)Nc1ccccc1F 1626a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 477 B13R1.470 O=C(C=CCl)Nc1ccccc1I 11a_100000210053_200016279998 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.470 O=C(C=CCl)Nc1ccccc1I 1626a_100000210053_200016279998 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.470 O=C(C=CI)Nc1ccccc1Br 1626a_100000210017_100016256311 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.470 O=C(C=CI)Nc1ccccc1Cl 1626a_100000185783_100016256311 [0,1,1,0,0,0|2,0,0]=4 481 B13R1.470 O=C(C=CI)Nc1ccccc1F 1626a_100000210422_100016256311 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.470 O=C(C=CI)Nc1ccccc1I 1626a_100000210053_100016256311 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.2679 C=CC(=O)Cc1c[nH]c(=O)[nH]c1=O 1458a_100000185746_100000035367 [0,1,1,0,0,0|1,0,1]=4 484 B13R1.51 C=Cc1cc(ccc1NC(=O)C)Br 271570a_100011290941_100009813020 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.51 C=Cc1cc(ccc1NC(=O)C)C 271570a_100011290941_100000152032 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.51 C=Cc1cc(ccc1NC(=O)C)F 271570a_100011290941_100011215554 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.51 CC(=O)Cc1ccc(cc1C=O)F 1458a_100000070787_100010132769 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.91 C#CC(=O)Cc1ccccc1C=O 1458a_100000211873_200009853537 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.91 C#Cc1ccccc1NC(=O)CO 22a_100011470550_100000210174 [0,1,1,0,0,0|1,0,1]=4 490 B13R1.91 C=CC(=O)Cc1ccccc1C=O 1458a_100000185746_200009853537 [0,1,1,0,0,0|2,0,0]=4 491 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1626a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 492 B13R1.91 C=CC(=O)Nc1ccccc1C=C 22a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 493 B13R1.91 C=Cc1ccccc1CC(=O)OC 271570a_100011290941_100000699816 [0,1,1,0,0,0|2,0,0]=4 494 B13R1.91 C=Cc1ccccc1NC(=O)CC 11a_100012022501_100000210414 [0,1,1,0,0,0|2,0,0]=4 495 B13R1.91 C=Cc1ccccc1NC(=O)CC 1626a_100012022501_100000210414 [0,1,1,0,0,0|2,0,0]=4 496 B13R1.91 C=Cc1ccccc1NC(=O)CC 22a_100012022501_100000210414 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.91 C=Cc1ccccc1NC(=O)CC 271570a_100011290941_100000153536 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,1,1,0,0,0|1,0,0]=3 499 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.91 C=Cc1ccccc1NC(=O)OC 271570a_100011290941_100000216184 [0,1,1,0,0,0|1,0,0]=3 501 B13R1.91 CCC(=O)Cc1ccccc1C=O 1458a_100000210414_200009853537 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,1,1,0,0,0|1,0,1]=4 503 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,1,1,0,0,0|1,0,1]=4 504 B13R1.91 COC(=O)Nc1ccccc1SC 62a_200000210301_100000216184 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.91 COC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000216184 [0,1,1,0,0,0|2,0,0]=4 506 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,1,1,0,0,0|2,0,0]=4 508 B13R1.91 CSc1ccccc1NC(=O)CO 22a_100000211160_100000210174 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [0,1,1,0,0,0|0,0,2]=4 510 B13R1.91 O=Cc1ccccc1CC(=O)CO 1458a_100000210174_200009853537 [0,1,1,0,0,0|1,0,0]=3 511 B13R1.380 C=C=Cc1ccccc1NC(=O)C 271570a_100015277604_100000153524 [0,1,1,0,0,0|2,0,0]=4 512 B13R1.380 C=C=Cc1ccccc1NC(=O)N 271570a_100015277604_100000742221 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.380 C=CCc1ccccc1NC(=O)C 11a_200138433279_100015343762 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.380 C=CCc1ccccc1NC(=O)C 1626a_200138433279_100015343762 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.380 C=CCc1ccccc1NC(=O)C 22a_200138433279_100000070787 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.380 C=CCc1ccccc1NC(=O)C 527a_200138433279_100103153847 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.380 CC=Cc1ccccc1NC(=O)N 271570a_100016259895_100000742221 [0,1,1,0,0,0|2,0,0]=4 519 B13R1.589 C=C(C)c1ccccc1NC(=O)C 11a_100000037685_100015343762 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.589 C=C(C)c1ccccc1NC(=O)C 1626a_100000037685_100015343762 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.589 C=C(C)c1ccccc1NC(=O)C 22a_100000037685_100000070787 [0,1,1,0,0,0|2,0,0]=4 522 B13R1.589 C=C(C)c1ccccc1NC(=O)C 271570a_100000694244_100000153524 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.589 C=C(C)c1ccccc1NC(=O)N 271570a_100000694244_100000742221 [0,1,1,0,0,0|2,0,0]=4 524 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100015343762 [0,1,1,0,0,0|1,0,0]=3 525 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100015343762 [0,1,1,0,0,0|1,0,0]=3 526 B13R1.589 CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000070787 [0,1,1,0,0,0|1,0,0]=3 527 B13R1.589 CC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100015343762 [0,1,1,0,0,0|1,1,0]=4 528 B13R1.2135 CC(=O)Cc1c(cccc1C=O)F 1458a_100000070787_100010132767 [0,1,1,0,0,0|2,0,0]=4 529 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)C 271570a_100011290941_100000182586 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.3089 C=Cc1ccc(cc1NC(=O)C)F 271570a_100011290941_100012558231 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.3089 CC(=O)Cc1cc(ccc1C=O)F 1458a_100000070787_100010132768 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.11 C#CC(=O)CC(=O)c1ccccc1 1458a_100000211873_100000211460 [0,1,1,0,0,0|2,0,0]=4 533 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,1,1,0,0,0|2,0,0]=4 534 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,1,0,0,0|2,0,0]=4 535 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,1,0,0,0|2,0,0]=4 536 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,1,1,0,0,0|2,0,0]=4 537 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,1,1,0,0,0|2,0,0]=4 539 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,1,0,0,0|1,0,0]=3 541 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,1,0,0,0|2,0,0]=4 542 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,1,0,0,0|2,0,0]=4 543 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,1,1,0,0,0|2,0,0]=4 544 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,1,1,0,0,0|2,0,0]=4 545 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,1,1,0,0,0|2,0,0]=4 546 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,1,1,0,0,0|2,0,0]=4 547 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,1,1,0,0,0|2,0,0]=4 548 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,1,1,0,0,0|2,0,0]=4 549 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,1,1,0,0,0|2,0,0]=4 550 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,1,1,0,0,0|1,0,0]=3 551 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000188618_100020667443 [0,1,1,0,0,0|2,0,0]=4 552 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000187820 [0,1,1,0,0,0|1,0,0]=3 553 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [0,1,1,0,0,0|1,0,0]=3 554 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000187820 [0,1,1,0,0,0|1,0,0]=3 555 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [0,1,1,0,0,0|1,0,0]=3 556 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,1,1,0,0,0|1,0,0]=3 557 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Br 1458a_100000185839_100020667443 [0,1,1,0,0,0|2,0,0]=4 558 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100020667443 [0,1,1,0,0,0|2,0,0]=4 559 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)F 1458a_100000187176_100020667443 [0,1,1,0,0,0|2,0,0]=4 560 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)I 1458a_100000187904_100020667443 [0,1,1,0,0,0|2,0,0]=4 561 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [0,1,1,0,0,0|2,0,0]=4 562 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000070787_100000212080 [0,1,1,0,0,0|2,0,0]=4 563 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,1,1,0,0,0|2,0,0]=4 564 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000070787_100000211444 [0,1,1,0,0,0|2,0,0]=4 565 B13R1.147 CC(=O)CC(=O)c1cccc(c1)F 1458a_100000070787_100000215616 [0,1,1,0,0,0|2,0,0]=4 566 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,1,1,0,0,0|2,0,0]=4 567 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,1,1,0,0,0|1,0,0]=3 568 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)[O-] 1458a_100000189346_100020667443 [0,1,1,0,0,0|2,0,0]=4 569 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000187820 [0,1,1,0,0,0|1,0,0]=3 570 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000187820 [0,1,1,0,0,0|1,0,0]=3 571 B13R1.147 NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000187820 [0,1,1,0,0,0|1,0,0]=3 572 B13R1.147 NC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000187820 [0,1,1,0,0,0|1,0,0]=3 573 B13R1.147 NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000187820 [0,1,1,0,0,0|1,0,0]=3 574 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Br 1458a_100000210664_100020667443 [0,1,1,0,0,0|2,0,0]=4 575 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Cl 1458a_100000210390_100020667443 [0,1,1,0,0,0|2,0,0]=4 576 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)F 1458a_100000210950_100020667443 [0,1,1,0,0,0|2,0,0]=4 577 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)I 1458a_100000184098_100020667443 [0,1,1,0,0,0|2,0,0]=4 578 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)O 1458a_100000183914_100020667443 [0,1,1,0,0,0|2,0,0]=4 579 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,1,1,0,0,0|2,0,0]=4 580 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,1,1,0,0,0|2,0,0]=4 581 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,1,1,0,0,0|1,0,0]=3 582 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,1,1,0,0,0|1,0,0]=3 583 B13R1.152 O=C([O-])C(F)C(=O)c1ccccc1 1458a_100000185807_100020610796 [0,1,1,0,0,0|2,0,0]=4 584 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,1,1,0,0,0|2,0,0]=4 585 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,1,1,0,0,0|2,0,0]=4 586 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,1,1,0,0,0|2,0,0]=4 587 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,1,1,0,0,0|2,0,0]=4 588 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,1,1,0,0,0|2,0,0]=4 589 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,1,1,0,0,0|2,0,0]=4 590 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [0,1,1,0,0,0|1,0,0]=3 591 B13R1.201 Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100000212026_100020667443 [0,1,1,0,0,0|2,0,0]=4 592 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [0,1,1,0,0,0|1,0,0]=3 593 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [0,1,1,0,0,0|1,0,0]=3 594 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [0,1,1,0,0,0|1,0,0]=3 595 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [0,1,1,0,0,0|1,0,0]=3 596 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,1,1,0,0,0|1,0,0]=3 597 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [0,1,1,0,0,0|1,0,0]=3 598 B13R1.201 O=C([O-])CC(=O)c1ccccc1Br 1458a_100000188424_100020667443 [0,1,1,0,0,0|2,0,0]=4 599 B13R1.201 O=C([O-])CC(=O)c1ccccc1Cl 1458a_100000185844_100020667443 [0,1,1,0,0,0|2,0,0]=4 600 B13R1.201 O=C([O-])CC(=O)c1ccccc1F 1458a_100000188656_100020667443 [0,1,1,0,0,0|2,0,0]=4 601 B13R1.201 O=C([O-])CC(=O)c1ccccc1I 1458a_100000187884_100020667443 [0,1,1,0,0,0|2,0,0]=4 602 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,1,1,0,0,0|2,0,0]=4 603 B13R1.201 O=C([O-])CC(=O)c1ccccc1[O-] 1458a_100009911694_100020667443 [0,1,1,0,0,0|2,0,0]=4 604 B13R1.352 NS(=O)(=O)CC(=O)c1ccccc1 1458a_100000185807_100000741382 [0,1,1,0,0,0|2,0,0]=4 605 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [0,1,1,0,0,0|2,0,0]=4 606 B13R1.572 C=C(C)c1ccccc1NCC=O 34a_100000037685_200009817547 [0,1,1,0,0,0|2,0,0]=4 607 B13R1.572 C=CCNc1ccccc1C(=O)N 34a_100000185089_100015514636 [0,1,1,0,0,0|2,0,0]=4 608 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_100000210623_100000734275 [0,1,1,0,0,0|2,0,0]=4 609 B13R1.572 C=CCSc1ccccc1C(=O)O 62a_202125556159_100000210623 [0,1,1,0,0,0|2,0,0]=4 610 B13R1.572 CC(=O)c1ccccc1SCC=O 62a_100000751169_200015260668 [0,1,1,0,0,0|2,0,0]=4 611 B13R1.572 CC(O)c1ccccc1NCC=O 2230a_100011405641_200015260668 [0,1,1,0,0,0|1,0,1]=4 612 B13R1.572 CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210202 [0,1,1,0,0,0|1,0,1]=4 613 B13R1.572 NC(=O)c1ccccc1NCC=O 34a_100000185089_200009817547 [0,1,1,0,0,0|1,0,0]=3 614 B13R1.572 NC(=O)c1ccccc1OCC=O 34a_100000192804_200009817547 [0,1,1,0,0,0|2,0,0]=4 615 B13R1.572 NC(=O)c1ccccc1OCC=O 7a_100000192804_200015260668 [0,1,1,0,0,0|2,0,0]=4 616 B13R1.572 NC(=O)c1ccccc1SCC=O 62a_100000162227_200015260668 [0,1,1,0,0,0|2,0,0]=4 617 B13R1.572 NC(=O)c1ccccc1SCC=O 62a_200015260668_100000162227 [0,1,1,0,0,0|2,0,0]=4 618 B13R1.572 O=C(O)c1ccccc1CNCF 269956a_100015183376_100015361967 [0,1,1,0,0,0|1,0,1]=4 619 B13R1.572 O=CCOc1ccccc1C(=O)[O-] 7a_100015234032_200015260668 [0,1,1,0,0,0|1,0,1]=4 620 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_200015260668_100000734275 [0,1,1,0,0,0|1,0,0]=3 621 B13R1.572 O=CCSc1ccccc1C(=O)O 62a_202125556159_200015260668 [0,1,1,0,0,0|1,0,0]=3 622 B13R1.12 CCOC(=O)c1cccc(c1N)O 271570a_203496583355_200011356557 [0,1,1,0,0,0|1,0,1]=4 623 B13R1.446 CCOC(=O)c1cc(ccc1N)O 271570a_203496583355_100000747833 [0,1,1,0,0,0|1,0,1]=4 624 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000036168_200000210301 [0,1,1,0,0,0|2,0,0]=4 625 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000210301_200000036168 [0,1,1,0,0,0|2,0,0]=4 626 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200000036168_200025704644 [0,1,1,0,0,0|2,0,0]=4 627 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000036168 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.674 CC(OCC=O)c1ccccc1N 7a_100011405641_200015260668 [0,1,1,0,0,0|1,0,1]=4 629 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [1,1,0,0,0,0|1,0,1]=4 630 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [1,1,0,0,0,0|2,0,0]=4 631 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [1,1,0,0,0,0|2,0,0]=4 632 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [1,1,0,0,0,0|1,0,1]=4 633 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [1,1,0,0,0,0|0,0,1]=3 634 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|2,0,0]=4 635 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|2,0,0]=4 636 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|1,0,0]=3 637 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [1,1,0,0,0,0|2,0,0]=4 638 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [1,1,0,0,0,0|1,0,1]=4 639 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [1,1,0,0,0,0|2,0,0]=4 640 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [1,1,0,0,0,0|2,0,0]=4 641 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [1,1,0,0,0,0|2,0,0]=4 642 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [1,1,0,0,0,0|1,0,1]=4 643 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [1,1,0,0,0,0|0,0,1]=3 644 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|1,0,0]=3 645 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|2,0,0]=4 646 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|2,0,0]=4 647 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [1,1,0,0,0,0|1,0,1]=4 648 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [1,1,0,0,0,0|2,0,0]=4 649 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|1,0,0]=3 650 B13R2.342 O=C1CCNc2c1cccc2O 271570a_203496583355_115082355814 [1,1,0,0,0,0|1,0,1]=4 651 B13R2.342 O=c1[nH]ccc2c1cccc2O 271570a_203496583355_100000703947 [1,1,0,0,0,0|2,0,0]=4 652 B13R2.342 O=c1cc[nH]c2c1cccc2O 271570a_203496583355_100000749886 [1,1,0,0,0,0|1,0,0]=3 653 B13R2.4818 O=c1[nH]cnc2c1c(ccc2)O 271570a_203496583355_100000696754 [1,1,0,0,0,0|1,0,1]=4 654 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,1,0|1,0,1]=4 655 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,0,1,0|0,1,1]=4 656 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,0,1,0|0,1,1]=4 657 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,1,0|1,0,1]=4 658 B13R2.3028 Cc1[nH]c2ccc(cc2c1C)O 271570a_203496583355_100012262263 [0,1,0,0,1,0|2,0,0]=4 659 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,1,0|2,0,0]=4 660 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,1,0|0,0,0]=2 661 B13R2.3028 O=C1Nc2ncc(cc2C1=O)O 271570a_203496583355_100010174890 [0,1,0,0,1,0|1,0,0]=3 662 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,1,0|0,0,0]=2 663 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,0,1,0|2,0,0]=4 664 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,1,0|0,0,0]=2 665 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,1,0|1,0,1]=4 666 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,1,0|0,0,0]=2 667 B13R2.3742 O=c1[nH]c(=O)c2scc(c2[nH]1)O 271570a_203496583355_100010246816 [0,1,0,0,1,0|2,0,0]=4 668 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,1,0,0,1,0|1,0,1]=4 669 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [0,1,0,0,1,0|0,1,1]=4 670 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [0,1,0,0,1,0|0,1,1]=4 671 B13R2.4857 O=C1NC(=O)c2c1cccc2O 271570a_203496583355_100010194295 [0,1,0,0,1,0|1,0,0]=3 672 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [0,1,0,0,1,0|0,0,0]=2 673 B13R2.5187 O=C1CC(=O)c2c1ccc(c2)O 271570a_203496583355_100009997049 [0,1,0,0,1,0|1,0,0]=3 674 B13R2.5187 O=C1NC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185758 [0,1,0,0,1,0|1,0,0]=3 675 B13R2.5187 O=C1OC(=O)c2c1cc(cn2)O 271570a_203496583355_100010218301 [0,1,0,0,1,0|1,0,0]=3 676 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,0,1,0|0,0,0]=2 677 B15R2.7332 O=C1CNC(=O)c2cc(ccc2N1)O 271570a_203496583355_100009812218 [0,1,0,0,0,1|1,0,0]=3 678 B15R2.886 C=C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100015277604_100000090176 [0,2,0,0,0,0|2,0,0]=4 679 B15R2.886 CC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016259895_100000090176 [0,2,0,0,0,0|2,0,0]=4 680 B15R2.886 CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210202_100000090176 [0,2,0,0,0,0|1,1,0]=4 681 B15R2.886 O=c1cc([nH]c2c1cccc2)SCF 62a_100015361967_100000090176 [0,2,0,0,0,0|1,1,0]=4 682 B15R2.14951 C=C(C)c1cc(=O)c2ccccc2[nH]1 271570a_100000694244_100000090176 [0,2,0,0,0,0|2,0,0]=4 683 B15R2.988 C=C(C)c1cc(=O)[nH]c2c1cccc2 271570a_100000694244_100000075698 [0,2,0,0,0,0|2,0,0]=4 684 B15R2.988 CN(C)c1cc(=O)[nH]c2c1cccc2 27a_100102631434_100000075698 [0,2,0,0,0,0|2,0,0]=4 685 B15R2.4392 C=C=Cc1cc(=O)[nH]c2c1cccc2 271570a_100015277604_100000075698 [0,2,0,0,0,0|2,0,0]=4 686 B15R2.4392 CC=Cc1cc(=O)[nH]c2c1cccc2 271570a_100016259895_100000075698 [0,2,0,0,0,0|2,0,0]=4 687 B15R2.4392 CCNc1cc(=O)[nH]c2c1cccc2 27a_100015525214_100000075698 [0,2,0,0,0,0|2,0,0]=4 688 B15R2.4392 CCSc1cc(=O)[nH]c2c1cccc2 62a_100000210202_100000075698 [0,2,0,0,0,0|1,1,0]=4 689 B15R2.4392 O=c1cc(c2ccccc2[nH]1)SCF 62a_100015361967_100000075698 [0,2,0,0,0,0|1,1,0]=4 690 B15R2.21211 C=Cc1cc(=O)n(c2c1cccc2)C 271570a_100011290941_100000041018 [0,2,0,0,0,0|2,0,0]=4 691 B15R2.21211 CNc1cc(=O)n(c2c1cccc2)C 27a_100102657272_100000041018 [0,2,0,0,0,0|2,0,0]=4 692 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_100010246319_200000210301 [0,2,0,0,0,0|1,1,0]=4 693 B15R2.21211 CSc1cc(=O)n(c2c1cccc2)C 62a_200000210301_100000041018 [0,2,0,0,0,0|1,1,0]=4 694 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_100010246319_200025704644 [0,2,0,0,0,0|1,1,0]=4 695 B15R2.21211 Cn1c(=O)cc(c2c1cccc2)S[13CH3] 62a_200025704644_100000041018 [0,2,0,0,0,0|1,1,0]=4 696 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,2,0,0,0,0|2,0,0]=4 697 B15R2.63814 Cn1c(=O)oc(=O)c2c1ccc(c2)O 271570a_203496583355_100009812665 [0,2,0,0,0,0|0,0,0]=2 698 B15R2.20937 C=Cc1cccc2c1[nH]c(=O)[nH]c2=O 271570a_100011290941_100012357391 [0,2,0,0,0,0|1,0,0]=3 699 B15R2.20937 C=Cc1cccc2c1[nH]c(=O)cc2O 271570a_100011290941_200010201894 [0,2,0,0,0,0|1,0,1]=4 700 B15R2.20937 C=Cc1cccc2c1[nH]c(=O)oc2=O 271570a_100011290941_100000695655 [0,2,0,0,0,0|0,0,0]=2 701 B15R2.20937 C=Cc1nccc2c1[nH]c(=O)[nH]c2=O 271570a_100011290941_209893295357 [0,2,0,0,0,0|2,0,0]=4 702 B15R2.20937 CSc1nccc2c1[nH]c(=O)[nH]c2=O 62a_200000210301_209893295357 [0,2,0,0,0,0|2,0,0]=4 703 B15R2.20937 [13CH3]Sc1nccc2c1[nH]c(=O)[nH]c2=O 62a_200025704644_209893295357 [0,2,0,0,0,0|2,0,0]=4 704 B15R2.59732 Cc1cc(c2[nH]c(=O)oc(=O)c2c1)O 271570a_203496583355_100000216488 [0,2,0,0,0,0|0,0,0]=2 705 B15R2.59732 O=c1[nH]c2c(cc(cc2c(=O)o1)Cl)O 271570a_203496583355_100011102812 [0,2,0,0,0,0|0,0,0]=2 706 B15R2.59732 O=c1[nH]c2c(cc(cc2c(=O)o1)F)O 271570a_203496583355_100011810390 [0,2,0,0,0,0|0,0,0]=2 707 B15R2.63910 Cc1cc(=O)c2ccc(c(c2[nH]1)C)O 271570a_203496583355_100012349997 [0,2,0,0,0,0|2,0,0]=4 708 B15R2.274 N#Cc1c(c2ccccc2[nH]c1=O)O 271570a_203496583355_100000040898 [0,2,0,0,0,0|1,0,1]=4 709 B15R2.13973 CC1(OC(=O)Nc2c1cc(cc2)O)C 271570a_203496583355_200009998449 [0,2,0,0,0,0|1,0,1]=4 710 B15R2.21329 C=Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1 271570a_100011290941_100011934062 [0,2,0,0,0,0|1,0,0]=3 711 B15R2.21329 C=Cc1ccc2[nH]c(=O)cc(c2c1)C 271570a_100011290941_100009820897 [0,2,0,0,0,0|2,0,0]=4 712 B15R2.21329 C=Cc1ccc2[nH]c(=O)cc(c2c1)O 271570a_100011290941_100000695641 [0,2,0,0,0,0|1,0,1]=4 713 B15R2.21329 C=Cc1ccc2[nH]c(=O)oc(=O)c2c1 271570a_100011290941_100000216498 [0,2,0,0,0,0|0,0,0]=2 714 B15R2.21329 C=Cc1ccc2[nH]c(cc(=O)c2c1)C 271570a_100011290941_100011333642 [0,2,0,0,0,0|2,0,0]=4 715 B15R2.21329 C=Cc1ccc2c(c1)C(=O)NC(=O)C2 271570a_100011290941_100010161110 [0,2,0,0,0,0|2,0,0]=4 716 B15R2.21329 C=Cc1ccc2nc(oc(=O)c2c1)C 271570a_100011290941_200009814615 [0,2,0,0,0,0|1,0,1]=4 717 B15R2.21329 C=Cc1ccc2oc(=O)[nH]c(=O)c2c1 271570a_100011290941_200000725568 [0,2,0,0,0,0|2,0,0]=4 718 B15R2.21329 COc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_200000210301 [0,2,0,0,0,0|0,0,0]=2 719 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)C 62a_200000210301_100009820897 [0,2,0,0,0,0|2,0,0]=4 720 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)O 62a_200000210301_100000695641 [0,2,0,0,0,0|1,0,1]=4 721 B15R2.21329 CSc1ccc2[nH]c(cc(=O)c2c1)C 62a_200000210301_100011333642 [0,2,0,0,0,0|2,0,0]=4 722 B15R2.21329 CSc1ccc2c(c1)C(=O)NC(=O)C2 62a_200000210301_100010161110 [0,2,0,0,0,0|2,0,0]=4 723 B15R2.21329 CSc1ccc2nc(oc(=O)c2c1)C 62a_200000210301_200009814615 [0,2,0,0,0,0|1,0,1]=4 724 B15R2.21329 Cc1cc(=O)[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009820897 [0,2,0,0,0,0|2,0,0]=4 725 B15R2.21329 Cc1cc(=O)c2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011333642 [0,2,0,0,0,0|2,0,0]=4 726 B15R2.21329 Cc1nc2ccc(cc2c(=O)o1)S[13CH3] 62a_200025704644_200009814615 [0,2,0,0,0,0|1,0,1]=4 727 B15R2.21329 [13CH3]Oc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_200025704644 [0,2,0,0,0,0|0,0,0]=2 728 B15R2.21329 [13CH3]Sc1ccc2[nH]c(=O)cc(c2c1)O 62a_200025704644_100000695641 [0,2,0,0,0,0|1,0,1]=4 729 B15R2.21329 [13CH3]Sc1ccc2c(c1)C(=O)NC(=O)C2 62a_200025704644_100010161110 [0,2,0,0,0,0|2,0,0]=4 730 B15R2.59733 O=c1[nH]c2cc(c(cc2c(=O)o1)O)F 271570a_203496583355_100013271260 [0,2,0,0,0,0|0,0,0]=2 731 B15R2.86986 C=Cc1cccc2c1c(=O)oc(=O)[nH]2 271570a_100011290941_100010201677 [0,2,0,0,0,0|0,0,0]=2 732 B15R2.86986 C=Cc1cccc2c1c(=O)oc(n2)C 271570a_100011290941_200010128068 [0,2,0,0,0,0|1,0,1]=4 733 B15R2.86986 CNc1cccc2c1c(=O)oc(n2)C 27a_100102657272_200010128068 [0,2,0,0,0,0|1,0,1]=4 734 B15R2.86986 CSc1cccc2c1c(=O)oc(n2)C 62a_200000210301_200010128068 [0,2,0,0,0,0|1,0,1]=4 735 B15R2.86986 Cc1nc2cccc(c2c(=O)o1)S[13CH3] 62a_200025704644_200010128068 [0,2,0,0,0,0|1,0,1]=4 736 B15R2.89396 C=Cc1ccc2c(=O)[nH]c(=O)[nH]c2c1 271570a_100011290941_100012351534 [0,2,0,0,0,0|1,0,0]=3 737 B15R2.89396 C=Cc1ccc2c(=O)[nH]c(=O)[nH]c2n1 271570a_100011290941_100000117996 [0,2,0,0,0,0|2,0,0]=4 738 B15R2.89396 C=Cc1ccc2c(=O)nc([nH]c2c1)N 271570a_100011290941_100010077259 [0,2,0,0,0,0|2,0,0]=4 739 B15R2.89396 C=Cc1ccc2c(=O)oc(=O)[nH]c2c1 271570a_100011290941_100000723304 [0,2,0,0,0,0|0,0,0]=2 740 B15R2.89396 CNc1ccc2c(=O)[nH]c(=O)[nH]c2c1 2230a_100012184015_200000210301 [0,2,0,0,0,0|1,0,0]=3 741 B15R2.89396 CNc1ccc2c(=O)[nH]c(=O)[nH]c2c1 27a_100102657272_100012351534 [0,2,0,0,0,0|1,0,0]=3 742 B15R2.89396 CNc1ccc2c(=O)[nH]c(=O)[nH]c2n1 27a_100102657272_100000117996 [0,2,0,0,0,0|2,0,0]=4 743 B15R2.89396 CNc1ccc2c(=O)nc([nH]c2c1)N 27a_100102657272_100010077259 [0,2,0,0,0,0|2,0,0]=4 744 B15R2.89396 CSc1ccc2c(=O)[nH]c(=O)[nH]c2c1 62a_200000210301_100010219097 [0,2,0,0,0,0|1,0,0]=3 745 B15R2.89396 CSc1ccc2c(c1)CC(=O)NC2=O 62a_200000210301_100010160918 [0,2,0,0,0,0|2,0,0]=4 746 B15R2.89396 [13CH3]Nc1ccc2c(=O)[nH]c(=O)[nH]c2c1 2230a_100012184015_200025704644 [0,2,0,0,0,0|1,0,0]=3 747 B15R2.89396 [13CH3]Sc1ccc2c(=O)[nH]c(=O)[nH]c2c1 62a_200025704644_100010219097 [0,2,0,0,0,0|1,0,0]=3 748 B15R2.89396 [13CH3]Sc1ccc2c(c1)CC(=O)NC2=O 62a_200025704644_100010160918 [0,2,0,0,0,0|2,0,0]=4 749 B11R0.5 C=CC=CC(=O)CC(=O)OC=C 1458a_100016291481_100000036128 [0,0,2,0,0,0|2,0,0]=4 750 B13R2.581 C=Cc1cccc2c1NC(=O)C2 271570a_100011290941_100000767046 [0,0,1,1,0,0|2,0,0]=4 751 B13R2.5569 CC(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200000210301 [0,0,1,1,0,0|2,0,0]=4 752 B13R2.5569 [13CH3]C(=O)c1cccc2c1[nH]cc2 1458a_100000027293_200025704644 [0,0,1,1,0,0|2,0,0]=4 753 B13R2.18 Nc1ccccc1c2ccco2 271570a_100000034411_100009814098 [0,0,1,1,0,0|2,0,0]=4 754 B13R2.18 Nc1ccccc1c2ccco2 271570a_100000750936_100000210017 [0,0,1,1,0,0|2,0,0]=4 755 B13R2.18 Nc1ccccc1c2cnco2 271570a_100000034411_100020591547 [0,0,1,1,0,0|2,0,0]=4 756 B13R2.18 Nc1ccccc1c2ncco2 271570a_100000034411_100011787736 [0,0,1,1,0,0|2,0,0]=4 757 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,1,0|2,0,0]=4 758 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,1,0|2,0,0]=4 759 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|0,0,1]=3 760 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|1,0,1]=4 761 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|1,0,1]=4 762 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,1,0|1,0,1]=4 763 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,1,0|1,0,1]=4 764 B13R1.42 C=CCC(=O)NCc1ccccc1 11a_100015324214_100000210193 [0,0,1,0,0,1|2,0,0]=4 765 B13R1.42 C=CCC(=O)NCc1ccccc1 1626a_100015324214_100000210193 [0,0,1,0,0,1|2,0,0]=4 766 B13R1.42 C=CCC(=O)NCc1ccccc1 240690a_100015324214_100000210193 [0,0,1,0,0,1|2,0,0]=4 767 B13R1.42 C=CCC(=O)NCc1ccccc1 527a_100015324214_100000210193 [0,0,1,0,0,1|2,0,0]=4 768 B13R1.42 C=CCC(=O)NNc1ccccc1 22a_100015195140_100000210193 [0,0,1,0,0,1|2,0,0]=4 769 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,0,1,0,0,1|1,0,0]=3 770 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,0,1,0,0,1|2,0,0]=4 771 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,0,1,0,0,1|2,0,0]=4 772 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,0,1,0,0,1|2,0,0]=4 773 B13R1.42 CC=CC(=O)NCc1ccccc1 11a_100015324214_100000210699 [0,0,1,0,0,1|2,0,0]=4 774 B13R1.42 CC=CC(=O)NCc1ccccc1 1626a_100015324214_100000210699 [0,0,1,0,0,1|2,0,0]=4 775 B13R1.42 CC=CC(=O)NCc1ccccc1 240690a_100015324214_100000210699 [0,0,1,0,0,1|2,0,0]=4 776 B13R1.42 CC=CC(=O)NNc1ccccc1 22a_100015195140_100000210699 [0,0,1,0,0,1|2,0,0]=4 777 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,0,1,0,0,1|1,0,1]=4 778 B13R1.42 O=C(C=CBr)NCc1ccccc1 1626a_100015324214_100016273825 [0,0,1,0,0,1|2,0,0]=4 779 B13R1.42 O=C(C=CBr)NCc1ccccc1 240690a_100015324214_100016273825 [0,0,1,0,0,1|2,0,0]=4 780 B13R1.42 O=C(C=CCl)NCc1ccccc1 11a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 781 B13R1.42 O=C(C=CCl)NCc1ccccc1 1626a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 782 B13R1.42 O=C(C=CCl)NCc1ccccc1 240690a_100015324214_200016279998 [0,0,1,0,0,1|2,0,0]=4 783 B13R1.42 O=C(C=CI)NCc1ccccc1 1626a_100015324214_100016256311 [0,0,1,0,0,1|2,0,0]=4 784 B13R1.90 C=Cc1ccccc1CNC(=O)C 271570a_100011290941_100011237613 [0,0,1,0,0,1|2,0,0]=4 785 B13R1.90 C=Cc1ccccc1NCC(=O)N 34a_100012022501_100000187820 [0,0,1,0,0,1|2,0,0]=4 786 B13R1.90 C=Cc1ccccc1NCC(=O)[O-] 34a_100012022501_100020667443 [0,0,1,0,0,1|1,0,1]=4 787 B13R1.90 CC(=O)CCc1ccccc1C=O 1458a_100000070787_100010186698 [0,0,1,0,0,1|2,0,0]=4 788 B13R1.90 NC(=O)CSc1ccccc1C=O 62a_100000210073_100000747473 [0,0,1,0,0,1|2,0,0]=4 789 B13R1.90 NC(=O)CSc1ccccc1C=O 62a_100000747473_100000210073 [0,0,1,0,0,1|2,0,0]=4 790 B13R1.90 O=Cc1ccccc1SCC(=O)[O-] 62a_100000210073_100020667443 [0,0,1,0,0,1|1,0,1]=4 791 B13R1.90 O=Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210073 [0,0,1,0,0,1|1,0,1]=4 792 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,0,1,0,0,1|2,0,0]=4 793 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,0,1,0,0,1|2,0,0]=4 794 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,0,1,0,0,1|1,0,0]=3 795 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,0,1,0,0,1|2,0,0]=4 796 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,0,1,0,0,1|2,0,0]=4 797 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,0,1,0,0,1|1,0,1]=4 798 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,0,1,0,0,1|1,0,1]=4 799 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,0,1,0,0,1|1,0,0]=3 800 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,0,1,0,0,1|1,0,0]=3 801 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,0,1,0,0,1|1,0,0]=3 802 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,0,1,0,0,1|2,0,0]=4