0 B14R2.781 C=C(C)c1cc2ccccc2cn1 271570a_100000694244_100000047361 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.781 C=C(C)c1cc2nccnc2cn1 271570a_100000694244_100010370699 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.781 C=C(C)c1ccc2ccccc2c1 271570a_100000694244_100000233703 [0,0,0,0,0,0|1,0,0]=1 3 B14R2.781 C=C(C)c1ccc2ccccc2n1 271570a_100000694244_100011291633 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.781 C=C(C)c1ccc2cccnc2c1 271570a_100000694244_100009816655 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.781 C=C(C)c1ccc2cccnc2n1 271570a_100000694244_100009888989 [0,0,0,0,0,0|3,0,0]=3 6 B14R2.781 C=C(C)c1ccc2ccncc2c1 271570a_100000694244_100000686496 [0,0,0,0,0,0|2,0,0]=2 7 B14R2.781 C=C(C)c1ccc2ccncc2n1 271570a_100000694244_100000020162 [0,0,0,0,0,0|3,0,0]=3 8 B14R2.781 C=C(C)c1ccc2cnccc2c1 271570a_100000694244_100009816743 [0,0,0,0,0,0|2,0,0]=2 9 B14R2.781 C=C(C)c1ccc2cncnc2c1 271570a_100000694244_100010185614 [0,0,0,0,0,0|3,0,0]=3 10 B14R2.781 C=C(C)c1ccc2cnncc2c1 271570a_100000694244_100010198781 [0,0,0,0,0,0|3,0,0]=3 11 B14R2.781 C=C(C)c1ccc2ncccc2c1 271570a_100000694244_100000754243 [0,0,0,0,0,0|2,0,0]=2 12 B14R2.781 C=C(C)c1ccc2ncccc2n1 271570a_100000694244_100000073381 [0,0,0,0,0,0|3,0,0]=3 13 B14R2.781 C=C(C)c1ccc2nccnc2c1 271570a_100000694244_100011219451 [0,0,0,0,0,0|3,0,0]=3 14 B14R2.781 C=C(C)c1ccc2nccnc2n1 271570a_100000694244_100012351543 [0,0,0,0,0,0|4,0,0]=4 15 B14R2.781 C=C(C)c1ccc2ncncc2c1 271570a_100000694244_100009989443 [0,0,0,0,0,0|3,0,0]=3 16 B14R2.781 C=C(C)c1ccc2nnccc2c1 271570a_100000694244_100010209549 [0,0,0,0,0,0|3,0,0]=3 17 B14R2.781 C=C(C)c1cnc2ccccc2c1 271570a_100000694244_100000737414 [0,0,0,0,0,0|2,0,0]=2 18 B14R2.781 C=C(C)c1cnc2ccccc2n1 271570a_100000694244_100000756483 [0,0,0,0,0,0|3,0,0]=3 19 B14R2.781 C=C(C)c1cnc2cccnc2c1 271570a_100000694244_100010246316 [0,0,0,0,0,0|3,0,0]=3 20 B14R2.781 C=C(C)c1cnc2ncccc2n1 271570a_100000694244_100000084304 [0,0,0,0,0,0|4,0,0]=4 21 B14R2.781 C=C(C)c1cnc2nccnc2c1 271570a_100000694244_100000753224 [0,0,0,0,0,0|4,0,0]=4 22 B14R2.781 C=C(C)c1ncc2ccccc2n1 271570a_100000694244_100000097389 [0,0,0,0,0,0|3,0,0]=3 23 B14R2.781 CC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200000210301 [0,0,0,0,0,0|1,0,1]=2 24 B14R2.781 CC(=O)C1CCc2ccccc2C1 1458a_100011217706_200000210301 [0,0,0,0,0,0|0,0,4]=4 25 B14R2.781 CC(=O)C1CCc2ccccc2O1 1458a_100000065239_200000210301 [0,0,0,0,0,0|1,0,3]=4 26 B14R2.781 CC(=O)C1COc2ccccc2C1 1458a_100000203760_200000210301 [0,0,0,0,0,0|1,0,3]=4 27 B14R2.781 CC(=O)C1COc2ccccc2O1 1458a_100000182656_200000210301 [0,0,0,0,0,0|2,0,2]=4 28 B14R2.781 CC(=O)C1Cc2ccccc2CO1 1458a_100009880028_200000210301 [0,0,0,0,0,0|1,0,3]=4 29 B14R2.781 CC(=O)N1CCc2ccccc2C1 11a_100000188457_100015343762 [0,0,0,0,0,0|1,0,3]=4 30 B14R2.781 CC(=O)N1CCc2ccccc2C1 1626a_100000188457_100015343762 [0,0,0,0,0,0|1,0,3]=4 31 B14R2.781 CC(=O)N1CCc2ccccc2C1 240690a_100000188457_100015343762 [0,0,0,0,0,0|1,0,3]=4 32 B14R2.781 CC(=O)N1CCc2ccccc2C1 527a_100000188457_100103153847 [0,0,0,0,0,0|1,0,3]=4 33 B14R2.781 CC(=O)c1ccc2c(c1)CCCC2 1458a_100000199106_200000210301 [0,0,0,0,0,0|0,0,4]=4 34 B14R2.781 CC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200000210301 [0,0,0,0,0,0|1,0,3]=4 35 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,0,0,0,0,0|0,0,0]=0 37 B14R2.781 CC(=O)c1ccc2cccnc2c1 1458a_100011933907_200000210301 [0,0,0,0,0,0|1,0,0]=1 38 B14R2.781 CC(=O)c1ccc2ccncc2c1 1458a_100000070124_200000210301 [0,0,0,0,0,0|1,0,0]=1 39 B14R2.781 CC(=O)c1ccc2cnccc2c1 1458a_100011935275_200000210301 [0,0,0,0,0,0|1,0,0]=1 40 B14R2.781 CC(=O)c1ccc2ncccc2c1 1458a_100011216044_200000210301 [0,0,0,0,0,0|1,0,0]=1 41 B14R2.781 CC(=O)c1ccc2nccnc2c1 1458a_100000184533_200000210301 [0,0,0,0,0,0|2,0,0]=2 42 B14R2.781 CN(C)c1ccc2ccccc2c1 2230a_100000181211_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B14R2.781 CN(C)c1ccc2ccccc2c1 269982a_100000181211_200000210301 [0,0,0,0,0,0|2,0,0]=2 44 B14R2.781 CN(C)c1ccc2ccccc2c1 34a_100000181211_200000210301 [0,0,0,0,0,0|2,0,0]=2 45 B14R2.781 CN(C)c1ccc2ccccc2n1 27a_100102631434_100011291633 [0,0,0,0,0,0|3,0,0]=3 46 B14R2.781 CN(C)c1ccc2cccnc2n1 27a_100102631434_100000075685 [0,0,0,0,0,0|4,0,0]=4 47 B14R2.781 CN(C)c1ccc2ccncc2n1 27a_100102631434_100000020162 [0,0,0,0,0,0|4,0,0]=4 48 B14R2.781 CN(C)c1ccc2cncnc2c1 27a_100102631434_100010185614 [0,0,0,0,0,0|4,0,0]=4 49 B14R2.781 CN(C)c1ccc2ncccc2n1 27a_100102631434_100000073381 [0,0,0,0,0,0|4,0,0]=4 50 B14R2.781 CN(C)c1ccc2nccnc2c1 27a_100102631434_100011219451 [0,0,0,0,0,0|4,0,0]=4 51 B14R2.781 CN(C)c1cnc2ccccc2n1 27a_100102631434_100000756483 [0,0,0,0,0,0|4,0,0]=4 52 B14R2.781 CN(C)c1ncc2ccccc2n1 27a_100102631434_100000097389 [0,0,0,0,0,0|4,0,0]=4 53 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 2230a_100000181211_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 269982a_100000181211_200025704644 [0,0,0,0,0,0|2,0,0]=2 55 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 34a_100000181211_200025704644 [0,0,0,0,0,0|2,0,0]=2 56 B14R2.781 [13CH3]C(=O)C1=Cc2ccccc2OC1 1458a_100000018039_200025704644 [0,0,0,0,0,0|1,0,1]=2 57 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2C1 1458a_100011217706_200025704644 [0,0,0,0,0,0|0,0,4]=4 58 B14R2.781 [13CH3]C(=O)C1CCc2ccccc2O1 1458a_100000065239_200025704644 [0,0,0,0,0,0|1,0,3]=4 59 B14R2.781 [13CH3]C(=O)C1COc2ccccc2C1 1458a_100000203760_200025704644 [0,0,0,0,0,0|1,0,3]=4 60 B14R2.781 [13CH3]C(=O)C1COc2ccccc2O1 1458a_100000182656_200025704644 [0,0,0,0,0,0|2,0,2]=4 61 B14R2.781 [13CH3]C(=O)C1Cc2ccccc2CO1 1458a_100009880028_200025704644 [0,0,0,0,0,0|1,0,3]=4 62 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCC2 1458a_100000199106_200025704644 [0,0,0,0,0,0|0,0,4]=4 63 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200025704644 [0,0,0,0,0,0|1,0,3]=4 64 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200025704644 [0,0,0,0,0,0|2,0,2]=4 65 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,0,0,0,0,0|0,0,0]=0 66 B14R2.781 [13CH3]C(=O)c1ccc2cccnc2c1 1458a_100011933907_200025704644 [0,0,0,0,0,0|1,0,0]=1 67 B14R2.781 [13CH3]C(=O)c1ccc2ccncc2c1 1458a_100000070124_200025704644 [0,0,0,0,0,0|1,0,0]=1 68 B14R2.781 [13CH3]C(=O)c1ccc2cnccc2c1 1458a_100011935275_200025704644 [0,0,0,0,0,0|1,0,0]=1 69 B14R2.781 [13CH3]C(=O)c1ccc2ncccc2c1 1458a_100011216044_200025704644 [0,0,0,0,0,0|1,0,0]=1 70 B14R2.781 [13CH3]C(=O)c1ccc2nccnc2c1 1458a_100000184533_200025704644 [0,0,0,0,0,0|2,0,0]=2 71 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [1,0,0,0,0,0|1,0,1]=3 72 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,0,0,0,0,0|0,0,1]=2 73 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,0,0,0,0,0|1,0,1]=3 74 B13R2.57 C=Cc1ccc2cccnc2c1 271570a_100011290941_100009816655 [1,0,0,0,0,0|1,0,1]=3 75 B13R2.57 C=Cc1ccc2cccnc2n1 271570a_100011290941_100009888989 [1,0,0,0,0,0|2,0,1]=4 76 B13R2.57 C=Cc1ccc2ccncc2c1 271570a_100011290941_100000686496 [1,0,0,0,0,0|1,0,1]=3 77 B13R2.57 C=Cc1ccc2ccncc2n1 271570a_100011290941_100000020162 [1,0,0,0,0,0|2,0,1]=4 78 B13R2.57 C=Cc1ccc2cnccc2c1 271570a_100011290941_100009816743 [1,0,0,0,0,0|1,0,1]=3 79 B13R2.57 C=Cc1ccc2cncnc2c1 271570a_100011290941_100010185614 [1,0,0,0,0,0|2,0,1]=4 80 B13R2.57 C=Cc1ccc2cnncc2c1 271570a_100011290941_100010198781 [1,0,0,0,0,0|2,0,1]=4 81 B13R2.57 C=Cc1ccc2ncccc2c1 271570a_100011290941_100000754243 [1,0,0,0,0,0|1,0,1]=3 82 B13R2.57 C=Cc1ccc2ncccc2n1 271570a_100011290941_100000073381 [1,0,0,0,0,0|2,0,1]=4 83 B13R2.57 C=Cc1ccc2nccnc2c1 271570a_100011290941_100011219451 [1,0,0,0,0,0|2,0,1]=4 84 B13R2.57 C=Cc1ccc2ncncc2c1 271570a_100011290941_100009989443 [1,0,0,0,0,0|2,0,1]=4 85 B13R2.57 C=Cc1ccc2nnccc2c1 271570a_100011290941_100010209549 [1,0,0,0,0,0|2,0,1]=4 86 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [1,0,0,0,0,0|1,0,1]=3 87 B13R2.57 C=Cc1cnc2ccccc2n1 271570a_100011290941_100000756483 [1,0,0,0,0,0|2,0,1]=4 88 B13R2.57 C=Cc1cnc2cccnc2c1 271570a_100011290941_100010246316 [1,0,0,0,0,0|2,0,1]=4 89 B13R2.57 C=Cc1ncc2ccccc2n1 271570a_100011290941_100000097389 [1,0,0,0,0,0|2,0,1]=4 90 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,0,0,0,0,0|1,0,0]=2 91 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,0,0,0,0,0|1,0,0]=2 92 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,0,0,0,0,0|2,0,0]=3 93 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [1,0,0,0,0,0|2,0,0]=3 94 B13R2.57 CNc1ccc2cccnc2n1 27a_100102657272_100000075685 [1,0,0,0,0,0|3,0,0]=4 95 B13R2.57 CNc1ccc2ccncc2n1 27a_100102657272_100000020162 [1,0,0,0,0,0|3,0,0]=4 96 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [1,0,0,0,0,0|2,0,0]=3 97 B13R2.57 CNc1ccc2cncnc2c1 27a_100102657272_100010185614 [1,0,0,0,0,0|3,0,0]=4 98 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [1,0,0,0,0,0|2,0,0]=3 99 B13R2.57 CNc1ccc2ncccc2n1 27a_100102657272_100000073381 [1,0,0,0,0,0|3,0,0]=4 100 B13R2.57 CNc1ccc2nccnc2c1 27a_100102657272_100011219451 [1,0,0,0,0,0|3,0,0]=4 101 B13R2.57 CNc1ccc2nccnc2c1 34a_100011219565_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B13R2.57 CNc1cnc2ccccc2n1 27a_100102657272_100000756483 [1,0,0,0,0,0|3,0,0]=4 103 B13R2.57 CNc1ncc2ccccc2n1 27a_100102657272_100000097389 [1,0,0,0,0,0|3,0,0]=4 104 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,0,0,0,0,0|1,0,0]=2 105 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,0,0,0,0,0|1,0,0]=2 106 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [1,0,0,0,0,0|2,0,0]=3 108 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,0,0,0,0,0|2,0,0]=3 109 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,0,0,0,0,0|2,0,0]=3 110 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,0,0,0,0,0|2,0,0]=3 111 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,0,0,0,0,0|2,0,0]=3 112 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [1,0,0,0,0,0|3,0,0]=4 113 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,0,0,0,0,0|2,0,0]=3 114 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,0,0,0,0,0|2,0,0]=3 115 B13R2.57 CSc1cc2ccccc2cn1 62a_100009816522_200000210301 [1,0,0,0,0,0|2,0,0]=3 116 B13R2.57 CSc1cc2ccccc2cn1 62a_200000210301_100000047361 [1,0,0,0,0,0|2,0,0]=3 117 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,0,0,0,0,0|1,0,0]=2 118 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,0,0,0,0,0|2,0,0]=3 119 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,0,0,0,0,0|2,0,0]=3 120 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [1,0,0,0,0,0|2,0,0]=3 121 B13R2.57 CSc1ccc2cccnc2n1 62a_100000075685_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B13R2.57 CSc1ccc2cccnc2n1 62a_200000210301_100000075685 [1,0,0,0,0,0|3,0,0]=4 123 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [1,0,0,0,0,0|2,0,0]=3 124 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [1,0,0,0,0,0|2,0,0]=3 125 B13R2.57 CSc1ccc2ccncc2n1 62a_200000210301_100000020162 [1,0,0,0,0,0|3,0,0]=4 126 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [1,0,0,0,0,0|2,0,0]=3 127 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [1,0,0,0,0,0|2,0,0]=3 128 B13R2.57 CSc1ccc2cncnc2c1 62a_100010185614_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B13R2.57 CSc1ccc2cncnc2c1 62a_200000210301_100010185614 [1,0,0,0,0,0|3,0,0]=4 130 B13R2.57 CSc1ccc2cnncc2c1 62a_100010198781_200000210301 [1,0,0,0,0,0|3,0,0]=4 131 B13R2.57 CSc1ccc2cnncc2c1 62a_200000210301_100010198781 [1,0,0,0,0,0|3,0,0]=4 132 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [1,0,0,0,0,0|2,0,0]=3 133 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [1,0,0,0,0,0|2,0,0]=3 134 B13R2.57 CSc1ccc2ncccc2n1 62a_200000210301_100000073381 [1,0,0,0,0,0|3,0,0]=4 135 B13R2.57 CSc1ccc2nccnc2c1 62a_100011219451_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B13R2.57 CSc1ccc2nccnc2c1 62a_200000210301_100011219451 [1,0,0,0,0,0|3,0,0]=4 137 B13R2.57 CSc1ccc2ncncc2c1 62a_100009989443_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B13R2.57 CSc1ccc2ncncc2c1 62a_200000210301_100009989443 [1,0,0,0,0,0|3,0,0]=4 139 B13R2.57 CSc1ccc2nnccc2c1 62a_100010209549_200000210301 [1,0,0,0,0,0|3,0,0]=4 140 B13R2.57 CSc1ccc2nnccc2c1 62a_200000210301_100010209549 [1,0,0,0,0,0|3,0,0]=4 141 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [1,0,0,0,0,0|2,0,0]=3 142 B13R2.57 CSc1cnc2ccccc2n1 62a_100000756483_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B13R2.57 CSc1cnc2ccccc2n1 62a_200000210301_100000756483 [1,0,0,0,0,0|3,0,0]=4 144 B13R2.57 CSc1cnc2cccnc2c1 62a_100010246316_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B13R2.57 CSc1cnc2cccnc2c1 62a_200000210301_100010246316 [1,0,0,0,0,0|3,0,0]=4 146 B13R2.57 CSc1ncc2ccccc2n1 62a_200000210301_100000097389 [1,0,0,0,0,0|3,0,0]=4 147 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,0,0,0,0,0|1,0,0]=2 148 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,0,0,0,0,0|1,0,0]=2 149 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [1,0,0,0,0,0|2,0,0]=3 150 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [1,0,0,0,0,0|2,0,0]=3 152 B13R2.57 [13CH3]Nc1ccc2nccnc2c1 34a_100011219565_200025704644 [1,0,0,0,0,0|3,0,0]=4 153 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,0,0,0,0,0|1,0,0]=2 154 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,0,0,0,0,0|1,0,0]=2 155 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [1,0,0,0,0,0|2,0,0]=3 156 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [1,0,0,0,0,0|2,0,0]=3 157 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,0,0,0,0,0|2,0,0]=3 158 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,0,0,0,0,0|2,0,0]=3 159 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,0,0,0,0,0|2,0,0]=3 160 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,0,0,0,0,0|2,0,0]=3 161 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [1,0,0,0,0,0|3,0,0]=4 162 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,0,0,0,0,0|2,0,0]=3 163 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,0,0,0,0,0|2,0,0]=3 164 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_100009816522_200025704644 [1,0,0,0,0,0|2,0,0]=3 165 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_200025704644_100000047361 [1,0,0,0,0,0|2,0,0]=3 166 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,0,0,0,0,0|1,0,0]=2 167 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,0,0,0,0,0|2,0,0]=3 168 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,0,0,0,0,0|2,0,0]=3 169 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [1,0,0,0,0,0|2,0,0]=3 170 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_100000075685_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_200025704644_100000075685 [1,0,0,0,0,0|3,0,0]=4 172 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [1,0,0,0,0,0|2,0,0]=3 173 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [1,0,0,0,0,0|2,0,0]=3 174 B13R2.57 [13CH3]Sc1ccc2ccncc2n1 62a_200025704644_100000020162 [1,0,0,0,0,0|3,0,0]=4 175 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [1,0,0,0,0,0|2,0,0]=3 176 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [1,0,0,0,0,0|2,0,0]=3 177 B13R2.57 [13CH3]Sc1ccc2cncnc2c1 62a_100010185614_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B13R2.57 [13CH3]Sc1ccc2cncnc2c1 62a_200025704644_100010185614 [1,0,0,0,0,0|3,0,0]=4 179 B13R2.57 [13CH3]Sc1ccc2cnncc2c1 62a_100010198781_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B13R2.57 [13CH3]Sc1ccc2cnncc2c1 62a_200025704644_100010198781 [1,0,0,0,0,0|3,0,0]=4 181 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [1,0,0,0,0,0|2,0,0]=3 182 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [1,0,0,0,0,0|2,0,0]=3 183 B13R2.57 [13CH3]Sc1ccc2ncccc2n1 62a_200025704644_100000073381 [1,0,0,0,0,0|3,0,0]=4 184 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_100011219451_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_200025704644_100011219451 [1,0,0,0,0,0|3,0,0]=4 186 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_100009989443_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_200025704644_100009989443 [1,0,0,0,0,0|3,0,0]=4 188 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_100010209549_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_200025704644_100010209549 [1,0,0,0,0,0|3,0,0]=4 190 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [1,0,0,0,0,0|2,0,0]=3 191 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_100000756483_200025704644 [1,0,0,0,0,0|3,0,0]=4 192 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_200025704644_100000756483 [1,0,0,0,0,0|3,0,0]=4 193 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_100010246316_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_200025704644_100010246316 [1,0,0,0,0,0|3,0,0]=4 195 B13R2.57 [13CH3]Sc1ncc2ccccc2n1 62a_200025704644_100000097389 [1,0,0,0,0,0|3,0,0]=4 196 B15R2.627 C=C(C)c1c[nH]c2ccccc2c1=O 271570a_100000694244_100012339567 [0,1,0,0,0,0|2,0,0]=3 197 B15R2.627 C=C(C)c1ccc2ccccc2c1Br 271570a_100000694244_200010089984 [0,1,0,0,0,0|1,0,0]=2 198 B15R2.627 C=C(C)c1ccc2ccccc2c1C 271570a_100000694244_100010221197 [0,1,0,0,0,0|1,0,0]=2 199 B15R2.627 C=C(C)c1ccc2ccccc2c1F 271570a_100000694244_100009832041 [0,1,0,0,0,0|1,0,0]=2 200 B15R2.627 C=C(C)c1ccc2ccccc2c1N 271570a_100000694244_100009817101 [0,1,0,0,0,0|1,0,0]=2 201 B15R2.627 C=C(C)c1ccc2ccccc2c1O 271570a_100000694244_100009996032 [0,1,0,0,0,0|1,0,0]=2 202 B15R2.627 C=C(C)c1ccc2cccnc2c1C 271570a_100000694244_100010214467 [0,1,0,0,0,0|2,0,0]=3 203 B15R2.627 C=C(C)c1ccc2cccnc2c1F 271570a_100000694244_100010751467 [0,1,0,0,0,0|2,0,0]=3 204 B15R2.627 C=C(C)c1ccc2cccnc2c1O 271570a_100000694244_100009816563 [0,1,0,0,0,0|2,0,0]=3 205 B15R2.627 C=C(C)c1ccc2cnccc2c1N 271570a_100000694244_100010191621 [0,1,0,0,0,0|2,0,0]=3 206 B15R2.627 C=C(C)c1ccc2ncccc2c1C 271570a_100000694244_200010137439 [0,1,0,0,0,0|2,0,0]=3 207 B15R2.627 C=C(C)c1ccc2ncccc2c1N 271570a_100000694244_200010235790 [0,1,0,0,0,0|2,0,0]=3 208 B15R2.627 C=C(C)c1ccc2nccnc2c1C 271570a_100000694244_100135414757 [0,1,0,0,0,0|3,0,0]=4 209 B15R2.627 C=C(C)c1cnc2ccccc2c1Cl 271570a_100000694244_100012352519 [0,1,0,0,0,0|2,0,0]=3 210 B15R2.627 C=C(C)c1cnc2ccccc2c1N 271570a_100000694244_100009995562 [0,1,0,0,0,0|2,0,0]=3 211 B15R2.627 C=C(C)c1coc2ccccc2c1=O 271570a_100000694244_100009813851 [0,1,0,0,0,0|2,0,0]=3 212 B15R2.627 C=C(C)c1ncc2ccccc2c1N 271570a_100000694244_100000087573 [0,1,0,0,0,0|2,0,0]=3 213 B15R2.627 C=C(C)c1nnc2ccccc2c1O 271570a_100000694244_100000688347 [0,1,0,0,0,0|3,0,0]=4 214 B15R2.627 CC(=O)C1CCc2ccccc2C1=O 1458a_100000070787_100000229917 [0,1,0,0,0,0|0,0,3]=4 215 B15R2.627 CC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_200000210301 [0,1,0,0,0,0|0,0,0]=1 216 B15R2.627 CC(=O)c1ccc2ccccc2c1O 1458a_100000181341_200000210301 [0,1,0,0,0,0|0,0,0]=1 217 B15R2.627 CC(=O)c1ccc2cccnc2c1O 1458a_100000036822_200000210301 [0,1,0,0,0,0|1,0,0]=2 218 B15R2.627 NC(=O)c1ccc2ccccc2c1O 271570a_203496583355_100011091912 [0,1,0,0,0,0|1,0,0]=2 219 B15R2.627 [13CH3]C(=O)c1ccc2ccccc2c1Br 1458a_100000239384_200025704644 [0,1,0,0,0,0|0,0,0]=1 220 B15R2.627 [13CH3]C(=O)c1ccc2ccccc2c1O 1458a_100000181341_200025704644 [0,1,0,0,0,0|0,0,0]=1 221 B15R2.627 [13CH3]C(=O)c1ccc2cccnc2c1O 1458a_100000036822_200025704644 [0,1,0,0,0,0|1,0,0]=2 222 B15R2.984 C=C(C)c1cc2ccccc2cc1Br 271570a_100000694244_200010169544 [0,1,0,0,0,0|1,0,0]=2 223 B15R2.984 C=C(C)c1cc2ccccc2cc1Cl 271570a_100000694244_100010152806 [0,1,0,0,0,0|1,0,0]=2 224 B15R2.984 C=C(C)c1cc2ccccc2cc1N 271570a_100000694244_100009991566 [0,1,0,0,0,0|1,0,0]=2 225 B15R2.984 C=C(C)c1cc2ccccc2cc1O 271570a_100000694244_100009817189 [0,1,0,0,0,0|1,0,0]=2 226 B15R2.984 C=C(C)c1cc2ccccc2nc1Cl 271570a_100000694244_100010220712 [0,1,0,0,0,0|2,0,0]=3 227 B15R2.984 C=C(C)c1cc2ccccc2nc1F 271570a_100000694244_100011158909 [0,1,0,0,0,0|2,0,0]=3 228 B15R2.984 C=C(C)c1cc2ccccc2nc1N 271570a_100000694244_100010135404 [0,1,0,0,0,0|2,0,0]=3 229 B15R2.984 C=C(C)c1cc2ccccc2nc1O 271570a_100000694244_200009820883 [0,1,0,0,0,0|2,0,0]=3 230 B15R2.984 C=C(C)c1cc2ccccc2oc1=O 271570a_100000694244_200000187772 [0,1,0,0,0,0|2,0,0]=3 231 B15R2.984 C=C(C)c1cc2cccnc2cc1C 271570a_100000694244_100010137429 [0,1,0,0,0,0|2,0,0]=3 232 B15R2.984 C=C(C)c1cc2cccnc2cc1F 271570a_100000694244_100009854028 [0,1,0,0,0,0|2,0,0]=3 233 B15R2.984 C=C(C)c1cc2ccncc2cc1F 271570a_100000694244_100011105921 [0,1,0,0,0,0|2,0,0]=3 234 B15R2.984 C=C(C)c1cc2cnccc2cc1F 271570a_100000694244_100010244713 [0,1,0,0,0,0|2,0,0]=3 235 B15R2.984 C=C(C)c1cc2ncccc2cc1O 271570a_100000694244_200010153759 [0,1,0,0,0,0|2,0,0]=3 236 B15R2.984 C=C(C)c1cc2nccnc2cc1C 271570a_100000694244_100010080479 [0,1,0,0,0,0|3,0,0]=4 237 B15R2.984 C=C(C)c1cc2nccnc2cc1F 271570a_100000694244_100010080477 [0,1,0,0,0,0|3,0,0]=4 238 B15R2.984 C=C(C)c1nc2ccccc2cc1Br 271570a_100000694244_100010072790 [0,1,0,0,0,0|2,0,0]=3 239 B15R2.984 C=C(C)c1nc2ccccc2cc1C 271570a_100000694244_100000751756 [0,1,0,0,0,0|2,0,0]=3 240 B15R2.984 C=C(C)c1nc2ccccc2cc1O 271570a_100000694244_200000100762 [0,1,0,0,0,0|2,0,0]=3 241 B15R2.984 C=C(C)c1nc2ccccc2nc1C 271570a_100000694244_100000185947 [0,1,0,0,0,0|3,0,0]=4 242 B15R2.984 C=C(C)c1nc2ccccc2nc1N 271570a_100000694244_100000009970 [0,1,0,0,0,0|3,0,0]=4 243 B15R2.984 C=C(C)c1nc2ncccc2cc1C 271570a_100000694244_100009877248 [0,1,0,0,0,0|3,0,0]=4 244 B15R2.984 CC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200000210301 [0,1,0,0,0,0|0,0,0]=1 245 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_200000210301 [0,1,0,0,0,0|0,0,0]=1 246 B15R2.984 Cc1cc2ccccc2nc1N(C)C 27a_100102631434_100000751756 [0,1,0,0,0,0|3,0,0]=4 247 B15R2.984 OB(O)c1cc2ccccc2cc1O 271570a_203496583355_200010152629 [0,1,0,0,0,0|2,0,1]=4 248 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200025704644 [0,1,0,0,0,0|0,0,0]=1 249 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1O 1458a_100000212107_200025704644 [0,1,0,0,0,0|0,0,0]=1 250 B15R2.1601 CC(N[13CH3])c1ccc2ccccc2c1 2230a_100000737073_200025704644 [0,1,0,0,0,0|1,0,1]=3 251 B15R2.1601 CC(O[13CH3])c1ccc2ccccc2c1 34a_100011215343_200025704644 [0,1,0,0,0,0|0,0,2]=3 252 B15R2.1601 CC(O[13CH3])c1ccc2ccccc2c1 7a_100011215343_200025704644 [0,1,0,0,0,0|0,0,2]=3 253 B15R2.1601 CCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210202 [0,1,0,0,0,0|1,0,1]=3 254 B15R2.1601 CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210202 [0,1,0,0,0,0|0,0,0]=1 255 B15R2.1601 CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210202 [0,1,0,0,0,0|1,0,0]=2 256 B15R2.1601 CCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210202 [0,1,0,0,0,0|1,0,0]=2 257 B15R2.1601 CCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210202 [0,1,0,0,0,0|1,0,0]=2 258 B15R2.1601 CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210202 [0,1,0,0,0,0|1,0,0]=2 259 B15R2.1601 CCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210202 [0,1,0,0,0,0|2,0,0]=3 260 B15R2.1601 CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210202 [0,1,0,0,0,0|2,0,0]=3 261 B15R2.1601 CCN(C)c1ccc2ccccc2c1 2230a_100000220149_200000210301 [0,1,0,0,0,0|2,0,0]=3 262 B15R2.1601 CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000204670 [0,1,0,0,0,0|2,0,0]=3 263 B15R2.1601 CCN(C)c1ccc2ccccc2c1 269982a_100000220149_200000210301 [0,1,0,0,0,0|2,0,0]=3 264 B15R2.1601 CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210202 [0,1,0,0,0,0|2,0,0]=3 265 B15R2.1601 CCN(C)c1ccc2ccccc2c1 34a_100000220149_200000210301 [0,1,0,0,0,0|2,0,0]=3 266 B15R2.1601 CCN(C)c1ccc2ccccc2c1 7a_100000220149_200000210301 [0,1,0,0,0,0|2,0,0]=3 267 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 2230a_100000220149_200025704644 [0,1,0,0,0,0|2,0,0]=3 268 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 269982a_100000220149_200025704644 [0,1,0,0,0,0|2,0,0]=3 269 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 34a_100000220149_200025704644 [0,1,0,0,0,0|2,0,0]=3 270 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 7a_100000220149_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B15R2.1601 CN(CF)c1ccc2ccccc2c1 269982a_100000181211_100015361967 [0,1,0,0,0,0|2,0,0]=3 272 B15R2.1601 CN(CF)c1ccc2ccccc2c1 34a_100000181211_100015361967 [0,1,0,0,0,0|2,0,0]=3 273 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 11a_106832991635_100000018039 [0,1,0,0,0,0|1,0,1]=3 274 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 1626a_100102657272_100000018039 [0,1,0,0,0,0|1,0,1]=3 275 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 240690a_100102657272_100000018039 [0,1,0,0,0,0|1,0,1]=3 276 B15R2.1601 CNC(=O)C1=Cc2ccccc2OC1 527a_100102657272_100000018039 [0,1,0,0,0,0|1,0,1]=3 277 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 11a_106832991635_100000210637 [0,1,0,0,0,0|0,0,0]=1 278 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 1626a_100102657272_100000210637 [0,1,0,0,0,0|0,0,0]=1 279 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 240690a_100102657272_100000210637 [0,1,0,0,0,0|0,0,0]=1 280 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 527a_100102657272_100000210637 [0,1,0,0,0,0|0,0,0]=1 281 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 11a_106832991635_100011933907 [0,1,0,0,0,0|1,0,0]=2 282 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 1626a_100102657272_100011933907 [0,1,0,0,0,0|1,0,0]=2 283 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 240690a_100102657272_100011933907 [0,1,0,0,0,0|1,0,0]=2 284 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 527a_100102657272_100011933907 [0,1,0,0,0,0|1,0,0]=2 285 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 11a_106832991635_100000070124 [0,1,0,0,0,0|1,0,0]=2 286 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 1626a_100102657272_100000070124 [0,1,0,0,0,0|1,0,0]=2 287 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 240690a_100102657272_100000070124 [0,1,0,0,0,0|1,0,0]=2 288 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 527a_100102657272_100000070124 [0,1,0,0,0,0|1,0,0]=2 289 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 11a_106832991635_100011935275 [0,1,0,0,0,0|1,0,0]=2 290 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 1626a_100102657272_100011935275 [0,1,0,0,0,0|1,0,0]=2 291 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 240690a_100102657272_100011935275 [0,1,0,0,0,0|1,0,0]=2 292 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 527a_100102657272_100011935275 [0,1,0,0,0,0|1,0,0]=2 293 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 11a_106832991635_100011216044 [0,1,0,0,0,0|1,0,0]=2 294 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 1626a_100102657272_100011216044 [0,1,0,0,0,0|1,0,0]=2 295 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 240690a_100102657272_100011216044 [0,1,0,0,0,0|1,0,0]=2 296 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 527a_100102657272_100011216044 [0,1,0,0,0,0|1,0,0]=2 297 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 11a_106832991635_100000184533 [0,1,0,0,0,0|2,0,0]=3 298 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 1626a_100102657272_100000184533 [0,1,0,0,0,0|2,0,0]=3 299 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 240690a_100102657272_100000184533 [0,1,0,0,0,0|2,0,0]=3 300 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 527a_100102657272_100000184533 [0,1,0,0,0,0|2,0,0]=3 301 B15R2.1601 CNC(C)c1cc2ccccc2cn1 269862a_106832991636_200000084103 [0,1,0,0,0,0|2,0,1]=4 302 B15R2.1601 CNC(C)c1ccc2ccccc2c1 2230a_100000737073_200000210301 [0,1,0,0,0,0|1,0,1]=3 303 B15R2.1601 CNC(C)c1ccc2ccccc2c1 269862a_106832991636_100000210793 [0,1,0,0,0,0|1,0,1]=3 304 B15R2.1601 CNC(C)c1ccc2ccccc2n1 269862a_106832991636_100000684817 [0,1,0,0,0,0|2,0,1]=4 305 B15R2.1601 CNC(C)c1ccc2ncccc2c1 269862a_106832991636_100011286481 [0,1,0,0,0,0|2,0,1]=4 306 B15R2.1601 CNC(C)c1cnc2ccccc2c1 269862a_106832991636_100011376191 [0,1,0,0,0,0|2,0,1]=4 307 B15R2.1601 COC(C)c1ccc2ccccc2c1 34a_100011215343_200000210301 [0,1,0,0,0,0|0,0,2]=3 308 B15R2.1601 COC(C)c1ccc2ccccc2c1 7a_100011215343_200000210301 [0,1,0,0,0,0|0,0,2]=3 309 B15R2.1601 O=C(CF)C1=Cc2ccccc2OC1 1458a_100000018039_100015361967 [0,1,0,0,0,0|1,0,1]=3 310 B15R2.1601 O=C(CF)c1ccc2ccccc2c1 1458a_100000210637_100015361967 [0,1,0,0,0,0|0,0,0]=1 311 B15R2.1601 O=C(CF)c1ccc2cccnc2c1 1458a_100011933907_100015361967 [0,1,0,0,0,0|1,0,0]=2 312 B15R2.1601 O=C(CF)c1ccc2ccncc2c1 1458a_100000070124_100015361967 [0,1,0,0,0,0|1,0,0]=2 313 B15R2.1601 O=C(CF)c1ccc2cnccc2c1 1458a_100011935275_100015361967 [0,1,0,0,0,0|1,0,0]=2 314 B15R2.1601 O=C(CF)c1ccc2ncccc2c1 1458a_100011216044_100015361967 [0,1,0,0,0,0|1,0,0]=2 315 B15R2.1601 O=C(CF)c1ccc2nccnc2c1 1458a_100000184533_100015361967 [0,1,0,0,0,0|2,0,0]=3 316 B15R2.7174 C=C(C)c1cc2[nH]c(=O)ccc2cn1 271570a_100000694244_100010563892 [0,1,0,0,0,0|3,0,0]=4 317 B15R2.7174 C=C(C)c1cc2cc(ccc2cn1)F 271570a_100000694244_100009828686 [0,1,0,0,0,0|2,0,0]=3 318 B15R2.7174 C=C(C)c1ccc2cc[n+](cc2c1)[O-] 271570a_100000694244_100009816120 [0,1,0,0,0,0|2,0,0]=3 319 B15R2.7174 C=C(C)c1ccc2ccc(=O)oc2c1 271570a_100000694244_100009993525 [0,1,0,0,0,0|2,0,0]=3 320 B15R2.7174 C=C(C)c1ccc2ccc(cc2c1)N 271570a_100000694244_100010090036 [0,1,0,0,0,0|1,0,0]=2 321 B15R2.7174 C=C(C)c1ccc2ccc(cc2c1)O 271570a_100000694244_100009816537 [0,1,0,0,0,0|1,0,0]=2 322 B15R2.7174 C=C(C)c1ccc2ccc(cc2n1)O 271570a_100000694244_100000079174 [0,1,0,0,0,0|2,0,0]=3 323 B15R2.7174 C=C(C)c1ccc2ccc(nc2c1)C 271570a_100000694244_100009817087 [0,1,0,0,0,0|2,0,0]=3 324 B15R2.7174 C=C(C)c1ccc2ccc(nc2c1)N 271570a_100000694244_100010187616 [0,1,0,0,0,0|2,0,0]=3 325 B15R2.7174 C=C(C)c1ccc2ccc(nc2c1)O 271570a_100000694244_100000690401 [0,1,0,0,0,0|2,0,0]=3 326 B15R2.7174 C=C(C)c1ccc2ccc(nc2n1)N 271570a_100000694244_100000117679 [0,1,0,0,0,0|3,0,0]=4 327 B15R2.7174 C=C(C)c1ccc2ccc(nc2n1)O 271570a_100000694244_200010218124 [0,1,0,0,0,0|3,0,0]=4 328 B15R2.7174 C=C(C)c1ccc2cnc(cc2c1)F 271570a_100000694244_100010291885 [0,1,0,0,0,0|2,0,0]=3 329 B15R2.7174 C=C(C)c1ccc2cnc(cc2c1)N 271570a_100000694244_100009817123 [0,1,0,0,0,0|2,0,0]=3 330 B15R2.7174 C=C(C)c1ccc2cnc(cc2c1)O 271570a_100000694244_100009817130 [0,1,0,0,0,0|2,0,0]=3 331 B15R2.7174 C=C(C)c1ccc2cnc(nc2c1)C 271570a_100000694244_100010233817 [0,1,0,0,0,0|3,0,0]=4 332 B15R2.7174 C=C(C)c1ccc2cnc(nc2c1)N 271570a_100000694244_100010199760 [0,1,0,0,0,0|3,0,0]=4 333 B15R2.7174 C=C(C)c1ccc2ncc(cc2c1)Br 271570a_100000694244_200010254249 [0,1,0,0,0,0|2,0,0]=3 334 B15R2.7174 C=C(C)c1ccc2ncc(cc2c1)C 271570a_100000694244_100009817055 [0,1,0,0,0,0|2,0,0]=3 335 B15R2.7174 C=C(C)c1ccc2ncc(cc2c1)O 271570a_100000694244_100000703654 [0,1,0,0,0,0|2,0,0]=3 336 B15R2.7174 C=C(C)c1ccc2ncc(cc2n1)F 271570a_100000694244_100009889179 [0,1,0,0,0,0|3,0,0]=4 337 B15R2.7174 C=C(C)c1ccc2ncc(nc2c1)N 271570a_100000694244_100010090528 [0,1,0,0,0,0|3,0,0]=4 338 B15R2.7174 C=C(C)c1ccc2ncc(nc2c1)O 271570a_100000694244_100010000190 [0,1,0,0,0,0|3,0,0]=4 339 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)Br 271570a_100000694244_100010740133 [0,1,0,0,0,0|2,0,0]=3 340 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)C 271570a_100000694244_100015841224 [0,1,0,0,0,0|2,0,0]=3 341 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)Cl 271570a_100000694244_100015929906 [0,1,0,0,0,0|2,0,0]=3 342 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)N 271570a_100000694244_100009888932 [0,1,0,0,0,0|2,0,0]=3 343 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)O 271570a_100000694244_100010137430 [0,1,0,0,0,0|2,0,0]=3 344 B15R2.7174 C=C(C)c1cnc2ccc(cc2n1)O 271570a_100000694244_200020640061 [0,1,0,0,0,0|3,0,0]=4 345 B15R2.7174 C=C(C)c1cnc2ccc(nc2c1)O 271570a_100000694244_100010009477 [0,1,0,0,0,0|3,0,0]=4 346 B15R2.7174 C=C(C)c1ncc2ccc(cc2n1)F 271570a_100000694244_100000104070 [0,1,0,0,0,0|3,0,0]=4 347 B15R2.7174 CC(=O)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_200000210301 [0,1,0,0,0,0|1,0,1]=3 348 B15R2.7174 CC(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_200000210301 [0,1,0,0,0,0|1,0,1]=3 349 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)CO2 1458a_100000187493_200000210301 [0,1,0,0,0,0|2,0,1]=4 350 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)CS2 1458a_100000010532_200000210301 [0,1,0,0,0,0|2,0,1]=4 351 B15R2.7174 CC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_200000210301 [0,1,0,0,0,0|0,0,0]=1 352 B15R2.7174 CC(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_200000210301 [0,1,0,0,0,0|1,0,0]=2 353 B15R2.7174 CC(=O)c1ccc2ncc(cc2c1)O 271570a_203496583355_100010254247 [0,1,0,0,0,0|1,0,0]=2 354 B15R2.7174 [13CH3]C(=O)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_200025704644 [0,1,0,0,0,0|1,0,1]=3 355 B15R2.7174 [13CH3]C(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_200025704644 [0,1,0,0,0,0|1,0,1]=3 356 B15R2.7174 [13CH3]C(=O)c1ccc2c(c1)NC(=O)CO2 1458a_100000187493_200025704644 [0,1,0,0,0,0|2,0,1]=4 357 B15R2.7174 [13CH3]C(=O)c1ccc2c(c1)NC(=O)CS2 1458a_100000010532_200025704644 [0,1,0,0,0,0|2,0,1]=4 358 B15R2.7174 [13CH3]C(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_200025704644 [0,1,0,0,0,0|0,0,0]=1 359 B15R2.7174 [13CH3]C(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_200025704644 [0,1,0,0,0,0|1,0,0]=2 360 B15R2.7180 C=C(C)c1ccc2[nH]c(=O)ccc2c1 271570a_100000694244_100011934725 [0,1,0,0,0,0|2,0,0]=3 361 B15R2.7180 C=C(C)c1ccc2[nH]c(=O)cnc2c1 271570a_100000694244_100010209493 [0,1,0,0,0,0|3,0,0]=4 362 B15R2.7180 C=C(C)c1ccc2c[n+](ccc2c1)C 271570a_100000694244_100015191232 [0,1,0,0,0,0|2,0,0]=3 363 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)Br 271570a_100000694244_100012344972 [0,1,0,0,0,0|1,0,0]=2 364 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)F 271570a_100000694244_100009817052 [0,1,0,0,0,0|1,0,0]=2 365 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)N 271570a_100000694244_100000185457 [0,1,0,0,0,0|1,0,0]=2 366 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)O 271570a_100000694244_100000185455 [0,1,0,0,0,0|1,0,0]=2 367 B15R2.7180 C=C(C)c1ccc2cc(ccc2n1)C 271570a_100000694244_100011865911 [0,1,0,0,0,0|2,0,0]=3 368 B15R2.7180 C=C(C)c1ccc2cc(ccc2n1)F 271570a_100000694244_100011998705 [0,1,0,0,0,0|2,0,0]=3 369 B15R2.7180 C=C(C)c1ccc2cc(ccc2n1)O 271570a_100000694244_100009849208 [0,1,0,0,0,0|2,0,0]=3 370 B15R2.7180 C=C(C)c1ccc2cc(cnc2c1)Br 271570a_100000694244_200015509644 [0,1,0,0,0,0|2,0,0]=3 371 B15R2.7180 C=C(C)c1ccc2cc(cnc2c1)C 271570a_100000694244_100010751441 [0,1,0,0,0,0|2,0,0]=3 372 B15R2.7180 C=C(C)c1ccc2cc(cnc2c1)F 271570a_100000694244_100010751466 [0,1,0,0,0,0|2,0,0]=3 373 B15R2.7180 C=C(C)c1ccc2cc(cnc2c1)N 271570a_100000694244_100010142226 [0,1,0,0,0,0|2,0,0]=3 374 B15R2.7180 C=C(C)c1ccc2cc(ncc2c1)N 271570a_100000694244_100010232990 [0,1,0,0,0,0|2,0,0]=3 375 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)C 271570a_100000694244_100000686635 [0,1,0,0,0,0|2,0,0]=3 376 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)Cl 271570a_100000694244_200012034268 [0,1,0,0,0,0|2,0,0]=3 377 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)N 271570a_100000694244_100011934619 [0,1,0,0,0,0|2,0,0]=3 378 B15R2.7180 C=C(C)c1ccc2nc(ccc2n1)C 271570a_100000694244_200009884078 [0,1,0,0,0,0|3,0,0]=4 379 B15R2.7180 C=C(C)c1ccc2nc(ncc2c1)N 271570a_100000694244_100010138702 [0,1,0,0,0,0|3,0,0]=4 380 B15R2.7180 C=C(C)c1ccc2oc(=O)ccc2c1 271570a_100000694244_100009999946 [0,1,0,0,0,0|2,0,0]=3 381 B15R2.7180 C=C(C)c1cnc2cc(ccc2c1)Cl 271570a_100000694244_100015716233 [0,1,0,0,0,0|2,0,0]=3 382 B15R2.7180 C=C(C)c1cnc2cc(ccc2c1)N 271570a_100000694244_200010264087 [0,1,0,0,0,0|2,0,0]=3 383 B15R2.7180 C=C(C)c1cnc2cc(ccc2c1)O 271570a_100000694244_200010153753 [0,1,0,0,0,0|2,0,0]=3 384 B15R2.7180 C=C(C)c1cnc2cc(ccc2n1)F 271570a_100000694244_100000098432 [0,1,0,0,0,0|3,0,0]=4 385 B15R2.7180 C=C(C)c1cnc2cc(ccc2n1)N 271570a_100000694244_100009885871 [0,1,0,0,0,0|3,0,0]=4 386 B15R2.7180 C=C(C)c1cnc2cc(ccc2n1)O 271570a_100000694244_200010664160 [0,1,0,0,0,0|3,0,0]=4 387 B15R2.7180 C=C(C)c1cnc2nc(ccc2c1)N 271570a_100000694244_100010214896 [0,1,0,0,0,0|3,0,0]=4 388 B15R2.7180 C=C(C)c1cnc2nc(ccc2c1)O 271570a_100000694244_100009814606 [0,1,0,0,0,0|3,0,0]=4 389 B15R2.7180 CC(=O)c1ccc2c(c1)CCC(=O)N2 1458a_100000230959_200000210301 [0,1,0,0,0,0|1,0,2]=4 390 B15R2.7180 CC(=O)c1ccc2c(c1)OCC(=O)N2 1458a_100000021372_200000210301 [0,1,0,0,0,0|2,0,1]=4 391 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200000210301 [0,1,0,0,0,0|0,0,0]=1 392 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200000210301 [0,1,0,0,0,0|0,0,0]=1 393 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200000210301 [0,1,0,0,0,0|0,0,0]=1 394 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100012339427 [0,1,0,0,0,0|0,0,0]=1 395 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_200000210301 [0,1,0,0,0,0|1,0,0]=2 396 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_200000210301 [0,1,0,0,0,0|1,0,0]=2 397 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_200000210301 [0,1,0,0,0,0|1,0,0]=2 398 B15R2.7180 CC(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_200000210301 [0,1,0,0,0,0|1,0,0]=2 399 B15R2.7180 CN(C)c1ccc2cc(ccc2n1)F 27a_100102631434_100011998705 [0,1,0,0,0,0|3,0,0]=4 400 B15R2.7180 CN(C)c1ccc2cc(cnc2c1)Br 27a_100102631434_200015509644 [0,1,0,0,0,0|3,0,0]=4 401 B15R2.7180 Cc1ccc2cc(ccc2n1)C(=O)[13CH3] 1458a_100000691375_200025704644 [0,1,0,0,0,0|1,0,0]=2 402 B15R2.7180 Cc1ccc2nc(ccc2c1)N(C)C 27a_100102631434_100011865911 [0,1,0,0,0,0|3,0,0]=4 403 B15R2.7180 OB(O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100010152634 [0,1,0,0,0,0|2,0,1]=4 404 B15R2.7180 [13CH3]C(=O)c1ccc2c(c1)CCC(=O)N2 1458a_100000230959_200025704644 [0,1,0,0,0,0|1,0,2]=4 405 B15R2.7180 [13CH3]C(=O)c1ccc2c(c1)OCC(=O)N2 1458a_100000021372_200025704644 [0,1,0,0,0,0|2,0,1]=4 406 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200025704644 [0,1,0,0,0,0|0,0,0]=1 407 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200025704644 [0,1,0,0,0,0|0,0,0]=1 408 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200025704644 [0,1,0,0,0,0|0,0,0]=1 409 B15R2.7180 [13CH3]C(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_200025704644 [0,1,0,0,0,0|1,0,0]=2 410 B15R2.7180 [13CH3]C(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_200025704644 [0,1,0,0,0,0|1,0,0]=2 411 B15R2.7180 [13CH3]C(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_200025704644 [0,1,0,0,0,0|1,0,0]=2 412 B15R2.13598 C=C(C)c1cc2ccnc(c2cn1)O 271570a_100000694244_100020669822 [0,1,0,0,0,0|3,0,0]=4 413 B15R2.13598 C=C(C)c1ccc2c(=O)[nH]cnc2c1 271570a_100000694244_100000230960 [0,1,0,0,0,0|3,0,0]=4 414 B15R2.13598 C=C(C)c1ccc2c(=O)ccoc2c1 271570a_100000694244_100010062221 [0,1,0,0,0,0|2,0,0]=3 415 B15R2.13598 C=C(C)c1ccc2c(cccc2c1)N 271570a_100000694244_100010090037 [0,1,0,0,0,0|1,0,0]=2 416 B15R2.13598 C=C(C)c1ccc2c(cccc2c1)O 271570a_100000694244_100010202202 [0,1,0,0,0,0|1,0,0]=2 417 B15R2.13598 C=C(C)c1ccc2c(ccnc2c1)C 271570a_100000694244_100010132309 [0,1,0,0,0,0|2,0,0]=3 418 B15R2.13598 C=C(C)c1ccc2c(ccnc2c1)Cl 271570a_100000694244_100009996786 [0,1,0,0,0,0|2,0,0]=3 419 B15R2.13598 C=C(C)c1ccc2c(ccnc2c1)N 271570a_100000694244_200009816820 [0,1,0,0,0,0|2,0,0]=3 420 B15R2.13598 C=C(C)c1ccc2c(ccnc2c1)O 271570a_100000694244_100000756855 [0,1,0,0,0,0|2,0,0]=3 421 B15R2.13598 C=C(C)c1ccc2c(nccc2c1)N 271570a_100000694244_100000732483 [0,1,0,0,0,0|2,0,0]=3 422 B15R2.13598 C=C(C)c1ccc2c(nccc2c1)O 271570a_100000694244_100000760485 [0,1,0,0,0,0|2,0,0]=3 423 B15R2.13598 C=C(C)c1ccc2c(ncnc2c1)N 271570a_100000694244_100010199758 [0,1,0,0,0,0|3,0,0]=4 424 B15R2.13598 C=C(C)c1ccc2c(nncc2c1)O 271570a_100000694244_100000724280 [0,1,0,0,0,0|3,0,0]=4 425 B15R2.13598 C=C(C)c1cnc2c(cccc2c1)Br 271570a_100000694244_100010204298 [0,1,0,0,0,0|2,0,0]=3 426 B15R2.13598 C=C(C)c1cnc2c(cccc2c1)C 271570a_100000694244_100009829671 [0,1,0,0,0,0|2,0,0]=3 427 B15R2.13598 C=C(C)c1cnc2c(cccc2c1)Cl 271570a_100000694244_100000759377 [0,1,0,0,0,0|2,0,0]=3 428 B15R2.13598 C=C(C)c1cnc2c(cccc2c1)F 271570a_100000694244_100000049890 [0,1,0,0,0,0|2,0,0]=3 429 B15R2.13598 C=C(C)c1cnc2c(cccc2c1)N 271570a_100000694244_100000702407 [0,1,0,0,0,0|2,0,0]=3 430 B15R2.13598 C=C(C)c1cnc2c(nccc2c1)O 271570a_100000694244_100010117065 [0,1,0,0,0,0|3,0,0]=4 431 B15R2.13598 CC(=O)c1ccc2c(=O)[nH]ccc2c1 1458a_200015497760_200000210301 [0,1,0,0,0,0|1,0,0]=2 432 B15R2.13598 CC(=O)c1ccc2c(=O)[nH]cnc2c1 1458a_100011298682_200000210301 [0,1,0,0,0,0|2,0,0]=3 433 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200000210301 [0,1,0,0,0,0|0,0,0]=1 434 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200000210301 [0,1,0,0,0,0|0,0,0]=1 435 B15R2.13598 CC(=O)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_200000210301 [0,1,0,0,0,0|1,0,0]=2 436 B15R2.13598 CC(=O)c1ccc2c(nccc2c1)Cl 1458a_100010201666_200000210301 [0,1,0,0,0,0|1,0,0]=2 437 B15R2.13598 CC(C)c1ccc2c(nccc2c1)O 271570a_203496583355_100010183064 [0,1,0,0,0,0|2,0,1]=4 438 B15R2.13598 CN(C)c1ccc2c(ccnc2c1)Cl 27a_100102631434_100009996786 [0,1,0,0,0,0|3,0,0]=4 439 B15R2.13598 [13CH3]C(=O)c1ccc2c(=O)[nH]ccc2c1 1458a_200015497760_200025704644 [0,1,0,0,0,0|1,0,0]=2 440 B15R2.13598 [13CH3]C(=O)c1ccc2c(=O)[nH]cnc2c1 1458a_100011298682_200025704644 [0,1,0,0,0,0|2,0,0]=3 441 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200025704644 [0,1,0,0,0,0|0,0,0]=1 442 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200025704644 [0,1,0,0,0,0|0,0,0]=1 443 B15R2.13598 [13CH3]C(=O)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_200025704644 [0,1,0,0,0,0|1,0,0]=2 444 B15R2.13598 [13CH3]C(=O)c1ccc2c(nccc2c1)Cl 1458a_100010201666_200025704644 [0,1,0,0,0,0|1,0,0]=2 445 B15R2.14951 C=C(C)c1cc(=O)c2ccccc2[nH]1 271570a_100000694244_100000090176 [0,1,0,0,0,0|2,0,0]=3 446 B15R2.14951 C=C(C)c1cc(=O)n2ccccc2n1 271570a_100000694244_100000707704 [0,1,0,0,0,0|3,0,0]=4 447 B15R2.14951 C=C(C)c1cc(c2ccccc2c1)N 271570a_100000694244_100010171453 [0,1,0,0,0,0|1,0,0]=2 448 B15R2.14951 C=C(C)c1cc(c2ccccc2c1)O 271570a_100000694244_100010089979 [0,1,0,0,0,0|1,0,0]=2 449 B15R2.14951 C=C(C)c1cc(c2ccccc2n1)C 271570a_100000694244_100012354972 [0,1,0,0,0,0|2,0,0]=3 450 B15R2.14951 C=C(C)c1cc(c2ccccc2n1)N 271570a_100000694244_100010197925 [0,1,0,0,0,0|2,0,0]=3 451 B15R2.14951 C=C(C)c1cc(c2cccnc2c1)N 271570a_100000694244_200010263263 [0,1,0,0,0,0|2,0,0]=3 452 B15R2.14951 C=C(C)c1cc(c2cnccc2c1)F 271570a_100000694244_100011068762 [0,1,0,0,0,0|2,0,0]=3 453 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)C 271570a_100000694244_100010130319 [0,1,0,0,0,0|2,0,0]=3 454 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)Cl 271570a_100000694244_200010369337 [0,1,0,0,0,0|2,0,0]=3 455 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)F 271570a_100000694244_100010234705 [0,1,0,0,0,0|2,0,0]=3 456 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)N 271570a_100000694244_100009814519 [0,1,0,0,0,0|2,0,0]=3 457 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)O 271570a_100000694244_100010248853 [0,1,0,0,0,0|2,0,0]=3 458 B15R2.14951 C=C(C)c1cc(c2nccnc2c1)C 271570a_100000694244_100010080486 [0,1,0,0,0,0|3,0,0]=4 459 B15R2.14951 C=C(C)c1cc(c2nccnc2c1)F 271570a_100000694244_100010079260 [0,1,0,0,0,0|3,0,0]=4 460 B15R2.14951 C=C(C)c1cc2ccccc2[n+](c1)[O-] 271570a_100000694244_200010000521 [0,1,0,0,0,0|2,0,0]=3 461 B15R2.14951 C=C(C)c1cc2ccccc2c(n1)N 271570a_100000694244_100009957331 [0,1,0,0,0,0|2,0,0]=3 462 B15R2.14951 C=C(C)c1nc(c2ccccc2n1)C 271570a_100000694244_100000046098 [0,1,0,0,0,0|3,0,0]=4 463 B15R2.14951 CC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_200000210301 [0,1,0,0,0,0|1,0,0]=2 464 B15R2.14951 CC(=O)c1cc(c2nccnc2c1)Br 1458a_100010367197_200000210301 [0,1,0,0,0,0|2,0,0]=3 465 B15R2.14951 CN(C)c1cc(c2cnccc2c1)F 27a_100102631434_100011068762 [0,1,0,0,0,0|3,0,0]=4 466 B15R2.14951 Cc1cc(nc2c1cccc2)N(C)C 27a_100102631434_100000184993 [0,1,0,0,0,0|3,0,0]=4 467 B15R2.14951 [13CH3]C(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_200025704644 [0,1,0,0,0,0|1,0,0]=2 468 B15R2.14951 [13CH3]C(=O)c1cc(c2nccnc2c1)Br 1458a_100010367197_200025704644 [0,1,0,0,0,0|2,0,0]=3 469 B15R2.61353 C=C(C)c1ccc2[nH]ccc(=O)c2c1 271570a_100000694244_100000746092 [0,1,0,0,0,0|2,0,0]=3 470 B15R2.61353 C=C(C)c1ccc2cccc(c2c1)C 271570a_100000694244_100010089936 [0,1,0,0,0,0|1,0,0]=2 471 B15R2.61353 C=C(C)c1ccc2cccc(c2c1)N 271570a_100000694244_100010090012 [0,1,0,0,0,0|1,0,0]=2 472 B15R2.61353 C=C(C)c1ccc2cccc(c2c1)O 271570a_100000694244_100010089991 [0,1,0,0,0,0|1,0,0]=2 473 B15R2.61353 C=C(C)c1ccc2cccc(c2n1)C 271570a_100000694244_100012002297 [0,1,0,0,0,0|2,0,0]=3 474 B15R2.61353 C=C(C)c1ccc2cccc(c2n1)F 271570a_100000694244_100012017632 [0,1,0,0,0,0|2,0,0]=3 475 B15R2.61353 C=C(C)c1ccc2cccc(c2n1)O 271570a_100000694244_100010153751 [0,1,0,0,0,0|2,0,0]=3 476 B15R2.61353 C=C(C)c1ccc2ccnc(c2c1)C 271570a_100000694244_200010739692 [0,1,0,0,0,0|2,0,0]=3 477 B15R2.61353 C=C(C)c1ccc2ccnc(c2c1)N 271570a_100000694244_100012352255 [0,1,0,0,0,0|2,0,0]=3 478 B15R2.61353 C=C(C)c1ccc2ccnc(c2c1)O 271570a_100000694244_100000010956 [0,1,0,0,0,0|2,0,0]=3 479 B15R2.61353 C=C(C)c1ccc2cn[nH]c(=O)c2c1 271570a_100000694244_100015864262 [0,1,0,0,0,0|3,0,0]=4 480 B15R2.61353 C=C(C)c1ccc2cncc(c2c1)O 271570a_100000694244_100010136424 [0,1,0,0,0,0|2,0,0]=3 481 B15R2.61353 C=C(C)c1ccc2nc[nH]c(=O)c2c1 271570a_100000694244_100000755678 [0,1,0,0,0,0|3,0,0]=4 482 B15R2.61353 C=C(C)c1ccc2nccc(=O)n2c1 271570a_100000694244_100010178973 [0,1,0,0,0,0|3,0,0]=4 483 B15R2.61353 C=C(C)c1ccc2nccc(c2c1)C 271570a_100000694244_100009817033 [0,1,0,0,0,0|2,0,0]=3 484 B15R2.61353 C=C(C)c1ccc2nccc(c2c1)Cl 271570a_100000694244_100011310491 [0,1,0,0,0,0|2,0,0]=3 485 B15R2.61353 C=C(C)c1ccc2nccc(c2c1)N 271570a_100000694244_100011620571 [0,1,0,0,0,0|2,0,0]=3 486 B15R2.61353 C=C(C)c1ccc2ncnc(c2c1)C 271570a_100000694244_100000700471 [0,1,0,0,0,0|3,0,0]=4 487 B15R2.61353 C=C(C)c1ccc2ncnc(c2c1)Cl 271570a_100000694244_100000757566 [0,1,0,0,0,0|3,0,0]=4 488 B15R2.61353 C=C(C)c1ccc2ncnc(c2c1)N 271570a_100000694244_100011390335 [0,1,0,0,0,0|3,0,0]=4 489 B15R2.61353 C=C(C)c1ccc2nncc(c2c1)O 271570a_100000694244_100010074700 [0,1,0,0,0,0|3,0,0]=4 490 B15R2.61353 C=C(C)c1ccc2occc(=O)c2c1 271570a_100000694244_100009813387 [0,1,0,0,0,0|2,0,0]=3 491 B15R2.61353 C=C(C)c1cnc2cc[nH]c(=O)c2c1 271570a_100000694244_100010134370 [0,1,0,0,0,0|3,0,0]=4 492 B15R2.61353 C=C(C)c1cnc2cccc(c2c1)N 271570a_100000694244_100010264086 [0,1,0,0,0,0|2,0,0]=3 493 B15R2.61353 C=C(C)c1cnc2cccc(c2c1)O 271570a_100000694244_200010153752 [0,1,0,0,0,0|2,0,0]=3 494 B15R2.61353 C=C(C)c1ncc2cccc(c2n1)O 271570a_100000694244_100010674811 [0,1,0,0,0,0|3,0,0]=4 495 B15R2.61353 CC(=O)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_200000210301 [0,1,0,0,0,0|1,0,0]=2 496 B15R2.61353 CC(=O)c1ccc2c(c1)C(=O)NCC2 1458a_100000724257_200000210301 [0,1,0,0,0,0|1,0,2]=4 497 B15R2.61353 CC(=O)c1ccc2cncc(c2c1)Br 1458a_100015832970_200000210301 [0,1,0,0,0,0|1,0,0]=2 498 B15R2.61353 CC(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_200000210301 [0,1,0,0,0,0|1,0,0]=2 499 B15R2.61353 CN(C)c1ccc2cccc(c2n1)O 27a_100102631434_100010153751 [0,1,0,0,0,0|3,0,0]=4 500 B15R2.61353 Cc1cccc2c1nc(cc2)N(C)C 27a_100102631434_100012002297 [0,1,0,0,0,0|3,0,0]=4 501 B15R2.61353 [13CH3]C(=O)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_200025704644 [0,1,0,0,0,0|1,0,0]=2 502 B15R2.61353 [13CH3]C(=O)c1ccc2c(c1)C(=O)NCC2 1458a_100000724257_200025704644 [0,1,0,0,0,0|1,0,2]=4 503 B15R2.61353 [13CH3]C(=O)c1ccc2cncc(c2c1)Br 1458a_100015832970_200025704644 [0,1,0,0,0,0|1,0,0]=2 504 B15R2.61353 [13CH3]C(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_200025704644 [0,1,0,0,0,0|1,0,0]=2 505 B13R1.74 C=C(C)c1ccc(cc1)C=COC 271570a_100000694244_100020630460 [0,0,1,0,0,0|2,0,1]=4 506 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 27a_100020586998_100000162191 [0,0,1,0,0,0|2,0,1]=4 507 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 34a_100000210537_100015514636 [0,0,1,0,0,0|2,0,1]=4 508 B13R1.74 C=CCNc1ccc(cn1)C(=O)C 27a_100020586998_100000690552 [0,0,1,0,0,0|2,0,1]=4 509 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 271570a_100000694244_100000172055 [0,0,1,0,0,0|2,0,1]=4 510 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 34a_100009880102_100015514636 [0,0,1,0,0,0|2,0,1]=4 511 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 7a_100009880102_100015514636 [0,0,1,0,0,0|2,0,1]=4 512 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 1458a_100000216320_200000210301 [0,0,1,0,0,0|1,0,1]=3 513 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 34a_100000185113_100015514636 [0,0,1,0,0,0|1,0,1]=3 514 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 7a_100000185113_100015514636 [0,0,1,0,0,0|1,0,1]=3 515 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 34a_100000746352_100015514636 [0,0,1,0,0,0|2,0,1]=4 516 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 7a_100000746352_100015514636 [0,0,1,0,0,0|2,0,1]=4 517 B13R1.74 C=CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000216320_200025704644 [0,0,1,0,0,0|1,0,1]=3 518 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 34a_200000064373_100015514636 [0,0,1,0,0,0|2,0,1]=4 519 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 7a_200000064373_100015514636 [0,0,1,0,0,0|2,0,1]=4 520 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 34a_100012001710_100015514636 [0,0,1,0,0,0|2,0,1]=4 521 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 7a_100012001710_100015514636 [0,0,1,0,0,0|2,0,1]=4 522 B13R1.74 C=CCSc1ccc(cc1)C(=C)C 62a_100000185454_100000210623 [0,0,1,0,0,0|2,0,1]=4 523 B13R1.74 C=CCSc1ccc(cc1)C(=C)C 62a_100000210623_100000185454 [0,0,1,0,0,0|2,0,1]=4 524 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210623 [0,0,1,0,0,0|1,0,1]=3 525 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000210623_100000185465 [0,0,1,0,0,0|1,0,1]=3 526 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210623 [0,0,1,0,0,0|2,0,1]=4 527 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000210623_100000162191 [0,0,1,0,0,0|2,0,1]=4 528 B13R1.74 C=CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210623 [0,0,1,0,0,0|2,0,1]=4 529 B13R1.74 C=CCSc1ccc(cn1)C(=O)C 62a_100000210623_100000684857 [0,0,1,0,0,0|2,0,1]=4 530 B13R1.74 C=CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210623 [0,0,1,0,0,0|2,0,1]=4 531 B13R1.74 C=CCSc1ccc(nc1)C(=O)C 62a_100000210623_100000686046 [0,0,1,0,0,0|2,0,1]=4 532 B13R1.74 C=CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210623 [0,0,1,0,0,0|2,0,1]=4 533 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 34a_100000185113_200009817547 [0,0,1,0,0,0|2,0,1]=4 534 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 7a_100000185113_200015260668 [0,0,1,0,0,0|2,0,1]=4 535 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_100000185465_200015260668 [0,0,1,0,0,0|2,0,1]=4 536 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000185465 [0,0,1,0,0,0|2,0,1]=4 537 B13R1.90 C=Cc1ccccc1CCC(=O)N 271570a_100011290941_100009814947 [0,0,1,0,0,0|1,0,2]=4 538 B13R1.90 C=Cc1ccccc1CNC(=O)C 271570a_100011290941_100011237613 [0,0,1,0,0,0|1,0,1]=3 539 B13R1.90 C=Cc1ccccc1NCC(=C)C 34a_100012022501_100000748629 [0,0,1,0,0,0|2,0,1]=4 540 B13R1.90 C=Cc1ccccc1NCC(=O)N 34a_100012022501_100000187820 [0,0,1,0,0,0|2,0,1]=4 541 B13R1.90 C=Cc1ccccc1NCC(=O)[O-] 34a_100012022501_100020667443 [0,0,1,0,0,0|2,0,1]=4 542 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [0,0,1,0,0,0|2,0,1]=4 543 B13R1.90 C=Cc1ccccc1SCC(=C)C 62a_100000748629_100011218376 [0,0,1,0,0,0|2,0,1]=4 544 B13R1.90 C=Cc1ccccc1SCC(=C)C 62a_100011218376_100000211660 [0,0,1,0,0,0|2,0,1]=4 545 B13R1.90 C=Cc1ccccc1SCC(=O)N 62a_100000747473_100011218376 [0,0,1,0,0,0|2,0,1]=4 546 B13R1.90 C=Cc1ccccc1SCC(=O)N 62a_100011218376_100000747473 [0,0,1,0,0,0|2,0,1]=4 547 B13R1.90 C=Cc1ccccc1SCC(=O)[O-] 62a_100011218376_100020667443 [0,0,1,0,0,0|2,0,1]=4 548 B13R1.90 C=Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100011218376 [0,0,1,0,0,0|2,0,1]=4 549 B13R1.90 CC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000210301 [0,0,1,0,0,0|1,0,1]=3 550 B13R1.90 CC(=O)CCc1ccccc1C=O 1458a_100000070787_100010186698 [0,0,1,0,0,0|1,0,2]=4 551 B13R1.90 CC(C)C=Cc1ccccc1C=O 271570a_100016257149_100000211189 [0,0,1,0,0,0|2,0,1]=4 552 B13R1.90 CC(O)C=Cc1ccccc1C=O 271570a_200011019289_100000211189 [0,0,1,0,0,0|1,0,2]=4 553 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [0,0,1,0,0,0|1,0,1]=3 554 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [0,0,1,0,0,0|1,0,1]=3 555 B13R1.90 COc1ncccc1C=CC(=O)C 1458a_100102601226_200000210301 [0,0,1,0,0,0|2,0,1]=4 556 B13R1.90 COc1ncccc1C=CC(=O)[13CH3] 1458a_100102601226_200025704644 [0,0,1,0,0,0|2,0,1]=4 557 B13R1.90 [13CH3]C(=O)C=Cc1ccccc1C#N 1458a_100016294624_200025704644 [0,0,1,0,0,0|1,0,1]=3 558 B13R1.144 C=C=Cc1ccc(cc1Br)C(=O)C 271570a_100015277604_100010146554 [0,0,1,0,0,0|1,0,1]=3 559 B13R1.144 C=C=Cc1ccc(cc1Br)C(=O)N 271570a_100015277604_100009814583 [0,0,1,0,0,0|2,0,1]=4 560 B13R1.144 C=C=Cc1ccc(cc1C)C(=O)C 271570a_100015277604_100000697869 [0,0,1,0,0,0|0,0,2]=3 561 B13R1.144 C=C=Cc1ccc(cc1C)C(=O)N 271570a_100015277604_100011218126 [0,0,1,0,0,0|1,0,2]=4 562 B13R1.144 C=C=Cc1ccc(cc1F)C(=O)C 271570a_100015277604_100000690002 [0,0,1,0,0,0|1,0,1]=3 563 B13R1.144 C=C=Cc1ccc(cc1F)C(=O)N 271570a_100015277604_100000686215 [0,0,1,0,0,0|2,0,1]=4 564 B13R1.144 C=C=Cc1ccc(cc1N)C(=O)C 271570a_100015277604_100009816534 [0,0,1,0,0,0|1,0,1]=3 565 B13R1.144 C=C=Cc1ccc(cc1O)C(=O)N 271570a_100015277604_100012344895 [0,0,1,0,0,0|2,0,1]=4 566 B13R1.144 C=C=Cc1cnc(cc1C)C(=O)C 271570a_100015277604_100011011822 [0,0,1,0,0,0|1,0,2]=4 567 B13R1.144 C=C=Cc1ncc(cc1C)C(=O)C 271570a_100015277604_100009864263 [0,0,1,0,0,0|1,0,2]=4 568 B13R1.144 CC=Cc1ccc(cc1Br)C(=O)C 271570a_100016259895_100010146554 [0,0,1,0,0,0|1,0,1]=3 569 B13R1.144 CC=Cc1ccc(cc1Br)C(=O)N 271570a_100016259895_100009814583 [0,0,1,0,0,0|2,0,1]=4 570 B13R1.144 CC=Cc1ccc(cc1C)C(=O)C 271570a_100016259895_100000697869 [0,0,1,0,0,0|0,0,2]=3 571 B13R1.144 CC=Cc1ccc(cc1C)C(=O)N 271570a_100016259895_100011218126 [0,0,1,0,0,0|1,0,2]=4 572 B13R1.144 CC=Cc1ccc(cc1F)C(=O)C 271570a_100016259895_100000690002 [0,0,1,0,0,0|1,0,1]=3 573 B13R1.144 CC=Cc1ccc(cc1F)C(=O)N 271570a_100016259895_100000686215 [0,0,1,0,0,0|2,0,1]=4 574 B13R1.144 CC=Cc1ccc(cc1N)C(=O)C 271570a_100016259895_100009816534 [0,0,1,0,0,0|1,0,1]=3 575 B13R1.144 CC=Cc1ccc(cc1O)C(=O)N 271570a_100016259895_100012344895 [0,0,1,0,0,0|2,0,1]=4 576 B13R1.144 CC=Cc1cnc(cc1C)C(=O)C 271570a_100016259895_100011011822 [0,0,1,0,0,0|1,0,2]=4 577 B13R1.144 CC=Cc1ncc(cc1C)C(=O)C 271570a_100016259895_100009864263 [0,0,1,0,0,0|1,0,2]=4 578 B13R1.158 CC(=O)NN=Cc1ccccc1Br 4a_100000189765_100000211189 [0,0,1,0,0,0|3,0,0]=4 579 B13R1.158 CC(=O)NN=Cc1ccccc1C 4a_100000189765_100000211143 [0,0,1,0,0,0|2,0,1]=4 580 B13R1.158 CC(=O)NN=Cc1ccccc1Cl 4a_100000189765_100000210073 [0,0,1,0,0,0|3,0,0]=4 581 B13R1.158 CC(=O)NN=Cc1ccccc1F 4a_100000189765_100000210811 [0,0,1,0,0,0|3,0,0]=4 582 B13R1.158 CC(=O)NN=Cc1ccccc1I 4a_100000189765_100000010305 [0,0,1,0,0,0|3,0,0]=4 583 B13R1.158 CC(=O)NN=Cc1ccccc1O 4a_100000189765_100000185834 [0,0,1,0,0,0|3,0,0]=4 584 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,0,1,0,0,0|1,0,1]=3 585 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,0,1,0,0,0|1,0,1]=3 586 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,0,1,0,0,0|2,0,1]=4 587 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,0,1,0,0,0|3,0,0]=4 588 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,0,1,0,0,0|2,0,1]=4 589 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,0,1,0,0,0|3,0,0]=4 590 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,0,1,0,0,0|2,0,1]=4 591 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,0,1,0,0,0|2,0,1]=4 592 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,0,1,0,0,0|2,0,1]=4 593 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,0,1,0,0,0|2,0,1]=4 594 B13R1.351 CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000210206 [0,0,1,0,0,0|2,0,1]=4 595 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 11a_100102631434_100000210462 [0,0,1,0,0,0|3,0,0]=4 596 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 1626a_100102631434_100000210462 [0,0,1,0,0,0|3,0,0]=4 597 B13R1.354 C=C=Cc1cc(ccc1Br)C(=O)C 271570a_100015277604_100010146556 [0,0,1,0,0,0|1,0,1]=3 598 B13R1.354 C=C=Cc1cc(ccc1C)C(=O)C 271570a_100015277604_100011934287 [0,0,1,0,0,0|0,0,2]=3 599 B13R1.354 C=C=Cc1cc(ccc1C)C(=O)N 271570a_100015277604_100000186401 [0,0,1,0,0,0|1,0,2]=4 600 B13R1.354 C=C=Cc1cc(ccc1F)C(=O)C 271570a_100015277604_100000239719 [0,0,1,0,0,0|1,0,1]=3 601 B13R1.354 C=C=Cc1cc(ccc1F)C(=O)N 271570a_100015277604_100011202321 [0,0,1,0,0,0|2,0,1]=4 602 B13R1.354 C=C=Cc1cc(ccc1N)C(=O)C 271570a_100015277604_100012029215 [0,0,1,0,0,0|1,0,1]=3 603 B13R1.354 C=C=Cc1cc(ccc1O)C(=O)C 271570a_100015277604_100011772453 [0,0,1,0,0,0|1,0,1]=3 604 B13R1.354 C=C=Cc1cc(cnc1F)C(=O)C 271570a_100015277604_200010135287 [0,0,1,0,0,0|2,0,1]=4 605 B13R1.354 CC=Cc1cc(ccc1Br)C(=O)C 271570a_100016259895_100010146556 [0,0,1,0,0,0|1,0,1]=3 606 B13R1.354 CC=Cc1cc(ccc1C)C(=O)C 271570a_100016259895_100011934287 [0,0,1,0,0,0|0,0,2]=3 607 B13R1.354 CC=Cc1cc(ccc1C)C(=O)N 271570a_100016259895_100000186401 [0,0,1,0,0,0|1,0,2]=4 608 B13R1.354 CC=Cc1cc(ccc1F)C(=O)C 271570a_100016259895_100000239719 [0,0,1,0,0,0|1,0,1]=3 609 B13R1.354 CC=Cc1cc(ccc1F)C(=O)N 271570a_100016259895_100011202321 [0,0,1,0,0,0|2,0,1]=4 610 B13R1.354 CC=Cc1cc(ccc1N)C(=O)C 271570a_100016259895_100012029215 [0,0,1,0,0,0|1,0,1]=3 611 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [0,0,1,0,0,0|1,0,1]=3 612 B13R1.354 CC=Cc1cc(cnc1F)C(=O)C 271570a_100016259895_200010135287 [0,0,1,0,0,0|2,0,1]=4 613 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,0,1,0,0,0|1,0,1]=3 614 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,0,1,0,0,0|1,0,1]=3 615 B13R1.568 C=CCNc1cccc(c1)C(=O)N 34a_100000217337_100015514636 [0,0,1,0,0,0|2,0,1]=4 616 B13R1.568 C=CCNc1cccc(n1)C(=O)C 27a_100020586998_100000085735 [0,0,1,0,0,0|2,0,1]=4 617 B13R1.568 C=CCOc1cccc(c1)C(=O)C 1458a_200000217307_200000210301 [0,0,1,0,0,0|1,0,1]=3 618 B13R1.568 C=CCOc1cccc(c1)C(=O)C 34a_100000211620_100015514636 [0,0,1,0,0,0|1,0,1]=3 619 B13R1.568 C=CCOc1cccc(c1)C(=O)C 7a_100000211620_100015514636 [0,0,1,0,0,0|1,0,1]=3 620 B13R1.568 C=CCOc1cccc(c1)C(=O)N 34a_100000162170_100015514636 [0,0,1,0,0,0|2,0,1]=4 621 B13R1.568 C=CCOc1cccc(c1)C(=O)N 7a_100000162170_100015514636 [0,0,1,0,0,0|2,0,1]=4 622 B13R1.568 C=CCOc1cccc(c1)C(=O)[13CH3] 1458a_200000217307_200025704644 [0,0,1,0,0,0|1,0,1]=3 623 B13R1.568 C=CCSc1cc(ccn1)C(=O)C 62a_100000210623_100000685609 [0,0,1,0,0,0|2,0,1]=4 624 B13R1.568 C=CCSc1cc(ccn1)C(=O)C 62a_100000685609_100000210623 [0,0,1,0,0,0|2,0,1]=4 625 B13R1.568 C=CCSc1cccc(c1)C(=C)C 62a_100000210623_100012123953 [0,0,1,0,0,0|2,0,1]=4 626 B13R1.568 C=CCSc1cccc(c1)C(=C)C 62a_100012123953_100000210623 [0,0,1,0,0,0|2,0,1]=4 627 B13R1.568 C=CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210623 [0,0,1,0,0,0|1,0,1]=3 628 B13R1.568 C=CCSc1cccc(c1)C(=O)C 62a_100000210623_100000210093 [0,0,1,0,0,0|1,0,1]=3 629 B13R1.568 C=CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210623 [0,0,1,0,0,0|2,0,1]=4 630 B13R1.568 C=CCSc1cccc(c1)C(=O)N 62a_100000210623_100000162208 [0,0,1,0,0,0|2,0,1]=4 631 B13R1.568 C=CCSc1cccc(c1)S(=O)C 62a_100000210623_100009816267 [0,0,1,0,0,0|2,0,1]=4 632 B13R1.568 C=CCSc1cccc(c1)S(=O)C 62a_100009816267_100000210623 [0,0,1,0,0,0|2,0,1]=4 633 B13R1.568 C=CCSc1cccc(n1)C(=O)C 62a_100000210623_100009816502 [0,0,1,0,0,0|2,0,1]=4 634 B13R1.568 C=CCSc1cccc(n1)C(=O)C 62a_100009816502_100000210623 [0,0,1,0,0,0|2,0,1]=4 635 B13R1.568 C=CCSc1ccnc(c1)C(=O)C 62a_100000210623_100000709912 [0,0,1,0,0,0|2,0,1]=4 636 B13R1.568 C=CCSc1ccnc(c1)C(=O)C 62a_100000709912_100000210623 [0,0,1,0,0,0|2,0,1]=4 637 B13R1.568 C=CCSc1cncc(c1)C(=O)C 62a_100000210623_100011216243 [0,0,1,0,0,0|2,0,1]=4 638 B13R1.568 C=CCSc1cncc(c1)C(=O)C 62a_100011216243_100000210623 [0,0,1,0,0,0|2,0,1]=4 639 B13R1.568 CC(=O)c1cccc(c1)OCC=O 34a_100000211620_200009817547 [0,0,1,0,0,0|2,0,1]=4 640 B13R1.568 CC(=O)c1cccc(c1)OCC=O 7a_100000211620_200015260668 [0,0,1,0,0,0|2,0,1]=4 641 B13R1.568 CC(=O)c1cccc(c1)SCC=O 62a_100000210093_200015260668 [0,0,1,0,0,0|2,0,1]=4 642 B13R1.568 CC(=O)c1cccc(c1)SCC=O 62a_200015260668_100000210093 [0,0,1,0,0,0|2,0,1]=4 643 B13R1.3091 C=C(C)c1ccc(c(c1)C=O)C=O 271570a_100000694244_200010077131 [0,0,1,0,0,0|3,0,0]=4 644 B13R1.3091 C=Cc1cc(ccc1C=O)C(C)C 271570a_100011290941_100010158967 [0,0,1,0,0,0|2,0,1]=4 645 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [0,0,1,0,0,0|1,0,1]=3 646 B13R1.3091 C=Cc1ccc(cc1C#N)C(=O)C 271570a_100011290941_100010125495 [0,0,1,0,0,0|1,0,1]=3 647 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,0,1,0,0,0|1,0,1]=3 648 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [0,0,1,0,0,0|2,0,1]=4 649 B15R3.31603 c1cc2cc(ccc2cn1)C3CC3 271570a_100011220607_100009816743 [0,0,0,1,0,0|2,0,1]=4 650 B15R3.31603 c1cc2ccc(cc2cn1)C3CC3 271570a_100011220607_100000686496 [0,0,0,1,0,0|2,0,1]=4 651 B15R3.31603 c1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100000233703 [0,0,0,1,0,0|1,0,1]=3 652 B15R3.31603 c1ccc2cc(ncc2c1)C3CC3 271570a_100011220607_100000047361 [0,0,0,1,0,0|2,0,1]=4 653 B15R3.31603 c1ccc2nc(ccc2c1)C3CC3 271570a_100011220607_100011291633 [0,0,0,1,0,0|2,0,1]=4 654 B15R3.31603 c1ccc2ncc(cc2c1)C3CC3 271570a_100011220607_100000737414 [0,0,0,1,0,0|2,0,1]=4 655 B15R3.31603 c1cnc2cc(ccc2c1)C3CC3 271570a_100011220607_100009816655 [0,0,0,1,0,0|2,0,1]=4 656 B15R3.31603 c1cnc2ccc(cc2c1)C3CC3 271570a_100011220607_100000754243 [0,0,0,1,0,0|2,0,1]=4 657 B13R2.72 C=C(C)c1c[nH]c2c1cccn2 271570a_100000694244_100011934613 [0,0,0,0,1,0|3,0,0]=4 658 B13R2.72 C=C(C)c1c[nH]c2c1ccnc2 271570a_100000694244_100010232032 [0,0,0,0,1,0|3,0,0]=4 659 B13R2.72 C=C(C)c1c[nH]c2c1cncc2 271570a_100000694244_100011934843 [0,0,0,0,1,0|3,0,0]=4 660 B13R2.72 C=C(C)c1c[nH]c2c1nccc2 271570a_100000694244_100009817151 [0,0,0,0,1,0|3,0,0]=4 661 B13R2.72 C=C(C)c1cnc2n1cccc2 271570a_100000694244_100011219245 [0,0,0,0,1,0|3,0,0]=4 662 B13R2.72 C=C(C)c1cnn2c1cccc2 271570a_100000694244_100009817726 [0,0,0,0,1,0|3,0,0]=4 663 B13R2.72 C=C(C)c1coc2c1cccc2 271570a_100000694244_100009812202 [0,0,0,0,1,0|2,0,0]=3 664 B13R2.72 C=C(C)c1coc2c1nccc2 271570a_100000694244_100009889148 [0,0,0,0,1,0|3,0,0]=4 665 B13R2.72 C=C(C)c1csc2c1cccc2 271570a_100000694244_100009813928 [0,0,0,0,1,0|2,0,0]=3 666 B13R2.72 C=C(C)c1csc2c1cccn2 271570a_100000694244_100009830249 [0,0,0,0,1,0|3,0,0]=4 667 B13R2.72 C=C(C)c1csc2c1ccnc2 271570a_100000694244_100009817111 [0,0,0,0,1,0|3,0,0]=4 668 B13R2.72 C=C(C)c1csc2c1cncc2 271570a_100000694244_100010247091 [0,0,0,0,1,0|3,0,0]=4 669 B13R2.72 C=C(C)c1csc2c1nccc2 271570a_100000694244_100010247092 [0,0,0,0,1,0|3,0,0]=4 670 B13R2.72 C=C(C)c1n[nH]c2c1cccc2 271570a_100000694244_100000050141 [0,0,0,0,1,0|3,0,0]=4 671 B13R2.72 C=C(C)c1ncn2c1cccc2 271570a_100000694244_100000688344 [0,0,0,0,1,0|3,0,0]=4 672 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,0,0,0,1,0|0,0,1]=2 673 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,0,0,0,1,0|0,0,1]=2 674 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,0,1,0|0,0,3]=4 675 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,0,0,0,1,0|0,0,1]=2 676 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,0,0,0,1,0|0,0,1]=2 677 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,0,1,0|0,0,3]=4 678 B13R2.430 C=C(C)c1cc2[nH]ccc2cn1 271570a_100000694244_100000089685 [0,0,0,0,1,0|3,0,0]=4 679 B13R2.430 C=C(C)c1cc2cc[nH]c2cn1 271570a_100000694244_100009864809 [0,0,0,0,1,0|3,0,0]=4 680 B13R2.430 C=C(C)c1cc2sccc2cn1 271570a_100000694244_200016184645 [0,0,0,0,1,0|3,0,0]=4 681 B13R2.430 C=C(C)c1ccc2[nH]ccc2c1 271570a_100000694244_100000211741 [0,0,0,0,1,0|2,0,0]=3 682 B13R2.430 C=C(C)c1ccc2[nH]ccc2n1 271570a_100000694244_100000087148 [0,0,0,0,1,0|3,0,0]=4 683 B13R2.430 C=C(C)c1ccc2[nH]cnc2c1 271570a_100000694244_100011265325 [0,0,0,0,1,0|3,0,0]=4 684 B13R2.430 C=C(C)c1ccc2[nH]ncc2c1 271570a_100000694244_100000049815 [0,0,0,0,1,0|3,0,0]=4 685 B13R2.430 C=C(C)c1ccc2c(c1)C=CC2 271570a_100000694244_100009814306 [0,0,0,0,1,0|1,0,1]=3 686 B13R2.430 C=C(C)c1ccc2c(c1)CC=C2 271570a_100000694244_200009818231 [0,0,0,0,1,0|1,0,1]=3 687 B13R2.430 C=C(C)c1ccc2cc[nH]c2c1 271570a_100000694244_100000743809 [0,0,0,0,1,0|2,0,0]=3 688 B13R2.430 C=C(C)c1ccc2cc[nH]c2n1 271570a_100000694244_100009814870 [0,0,0,0,1,0|3,0,0]=4 689 B13R2.430 C=C(C)c1ccc2ccnn2c1 271570a_100000694244_100009820231 [0,0,0,0,1,0|3,0,0]=4 690 B13R2.430 C=C(C)c1ccc2ccoc2c1 271570a_100000694244_100000759542 [0,0,0,0,1,0|2,0,0]=3 691 B13R2.430 C=C(C)c1ccc2ccsc2c1 271570a_100000694244_100009888917 [0,0,0,0,1,0|2,0,0]=3 692 B13R2.430 C=C(C)c1ccc2cn[nH]c2c1 271570a_100000694244_100000049514 [0,0,0,0,1,0|3,0,0]=4 693 B13R2.430 C=C(C)c1ccc2cncn2c1 271570a_100000694244_100009887162 [0,0,0,0,1,0|3,0,0]=4 694 B13R2.430 C=C(C)c1ccc2cnoc2c1 271570a_100000694244_100009817722 [0,0,0,0,1,0|3,0,0]=4 695 B13R2.430 C=C(C)c1ccc2cscc2c1 271570a_100000694244_200010760811 [0,0,0,0,1,0|2,0,0]=3 696 B13R2.430 C=C(C)c1ccc2csnc2c1 271570a_100000694244_100010170880 [0,0,0,0,1,0|3,0,0]=4 697 B13R2.430 C=C(C)c1ccc2nccn2c1 271570a_100000694244_100000746083 [0,0,0,0,1,0|3,0,0]=4 698 B13R2.430 C=C(C)c1ccc2ncoc2c1 271570a_100000694244_100009817590 [0,0,0,0,1,0|3,0,0]=4 699 B13R2.430 C=C(C)c1ccc2ncsc2c1 271570a_100000694244_100009816678 [0,0,0,0,1,0|3,0,0]=4 700 B13R2.430 C=C(C)c1ccc2occc2c1 271570a_100000694244_100012343831 [0,0,0,0,1,0|2,0,0]=3 701 B13R2.430 C=C(C)c1ccc2occc2n1 271570a_100000694244_100009851292 [0,0,0,0,1,0|3,0,0]=4 702 B13R2.430 C=C(C)c1ccc2ocnc2c1 271570a_100000694244_100009816175 [0,0,0,0,1,0|3,0,0]=4 703 B13R2.430 C=C(C)c1ccc2oncc2c1 271570a_100000694244_100009817723 [0,0,0,0,1,0|3,0,0]=4 704 B13R2.430 C=C(C)c1ccc2sccc2c1 271570a_100000694244_100009814439 [0,0,0,0,1,0|2,0,0]=3 705 B13R2.430 C=C(C)c1ccc2sccc2n1 271570a_100000694244_100012000956 [0,0,0,0,1,0|3,0,0]=4 706 B13R2.430 C=C(C)c1ccc2scnc2c1 271570a_100000694244_100010005895 [0,0,0,0,1,0|3,0,0]=4 707 B13R2.430 C=C(C)c1ccn2ccnc2c1 271570a_100000694244_100009816855 [0,0,0,0,1,0|3,0,0]=4 708 B13R2.430 C=C(C)c1ccn2nccc2c1 271570a_100000694244_100000763084 [0,0,0,0,1,0|3,0,0]=4 709 B13R2.430 C=C(C)c1cnc2[nH]ccc2c1 271570a_100000694244_100000760471 [0,0,0,0,1,0|3,0,0]=4 710 B13R2.430 C=C(C)c1cnc2cc[nH]c2c1 271570a_100000694244_100009818992 [0,0,0,0,1,0|3,0,0]=4 711 B13R2.430 C=C(C)c1cnc2sccc2c1 271570a_100000694244_100010135160 [0,0,0,0,1,0|3,0,0]=4 712 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,0,0,0,1,0|1,0,0]=2 713 B13R2.430 CC(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200000210301 [0,0,0,0,1,0|2,0,0]=3 714 B13R2.430 CC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200000210301 [0,0,0,0,1,0|2,0,0]=3 715 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,0,0,0,1,0|0,0,3]=4 716 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,0,0,0,1,0|1,0,2]=4 717 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,0,0,0,1,0|2,0,1]=4 718 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,0,0,0,1,0|1,0,0]=2 719 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,0,0,0,1,0|1,0,0]=2 720 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,0,0,0,1,0|1,0,0]=2 721 B13R2.430 CC(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200000210301 [0,0,0,0,1,0|2,0,0]=3 722 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,0,0,0,1,0|2,0,0]=3 723 B13R2.430 CC(=O)c1ccc2ncsc2c1 1458a_100000183663_200000210301 [0,0,0,0,1,0|2,0,0]=3 724 B13R2.430 CC(=O)c1ccc2nonc2c1 1458a_100000031939_200000210301 [0,0,0,0,1,0|3,0,0]=4 725 B13R2.430 CC(=O)c1ccc2nsnc2c1 1458a_100000041451_200000210301 [0,0,0,0,1,0|3,0,0]=4 726 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,0,0,0,1,0|1,0,0]=2 727 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,0,0,0,1,0|2,0,0]=3 728 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,0,0,0,1,0|1,0,0]=2 729 B13R2.430 CC(=O)c1ccc2scnc2c1 1458a_100000068124_200000210301 [0,0,0,0,1,0|2,0,0]=3 730 B13R2.430 CC(=O)c1ccc2snnc2c1 1458a_100000038608_200000210301 [0,0,0,0,1,0|3,0,0]=4 731 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,0,0,0,1,0|1,0,0]=2 732 B13R2.430 [13CH3]C(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200025704644 [0,0,0,0,1,0|2,0,0]=3 733 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200025704644 [0,0,0,0,1,0|2,0,0]=3 734 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,0,0,0,1,0|0,0,3]=4 735 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,0,0,0,1,0|1,0,2]=4 736 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,0,0,0,1,0|2,0,1]=4 737 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,0,0,0,1,0|1,0,0]=2 738 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,0,0,0,1,0|1,0,0]=2 739 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,0,0,0,1,0|1,0,0]=2 740 B13R2.430 [13CH3]C(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200025704644 [0,0,0,0,1,0|2,0,0]=3 741 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,0,0,0,1,0|2,0,0]=3 742 B13R2.430 [13CH3]C(=O)c1ccc2ncsc2c1 1458a_100000183663_200025704644 [0,0,0,0,1,0|2,0,0]=3 743 B13R2.430 [13CH3]C(=O)c1ccc2nonc2c1 1458a_100000031939_200025704644 [0,0,0,0,1,0|3,0,0]=4 744 B13R2.430 [13CH3]C(=O)c1ccc2nsnc2c1 1458a_100000041451_200025704644 [0,0,0,0,1,0|3,0,0]=4 745 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,0,0,0,1,0|1,0,0]=2 746 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,0,0,0,1,0|2,0,0]=3 747 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,0,0,0,1,0|1,0,0]=2 748 B13R2.430 [13CH3]C(=O)c1ccc2scnc2c1 1458a_100000068124_200025704644 [0,0,0,0,1,0|2,0,0]=3 749 B13R2.430 [13CH3]C(=O)c1ccc2snnc2c1 1458a_100000038608_200025704644 [0,0,0,0,1,0|3,0,0]=4 750 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,0,0,1,0|2,0,0]=3 751 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,0,0,0,1,0|2,0,0]=3 752 B13R2.435 C=C(C)c1cc2ccccc2s1 271570a_100000694244_100009816949 [0,0,0,0,1,0|2,0,0]=3 753 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,0,0,0,1,0|3,0,0]=4 754 B13R2.435 C=C(C)c1cn2ccccc2n1 271570a_100000694244_100009819586 [0,0,0,0,1,0|3,0,0]=4 755 B13R2.435 C=C(C)c1nc2ccccc2[nH]1 271570a_100000694244_100009814255 [0,0,0,0,1,0|3,0,0]=4 756 B13R2.435 C=C(C)c1nc2ccccc2s1 271570a_100000694244_100000751744 [0,0,0,0,1,0|3,0,0]=4 757 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,0,1,0|0,0,1]=2 758 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,0,0,0,1,0|0,0,3]=4 759 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,0,0,0,1,0|0,0,3]=4 760 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,0,1,0|1,0,2]=4 761 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,0,0,0,1,0|1,0,2]=4 762 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,0,0,0,1,0|1,0,2]=4 763 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,0,0,0,1,0|1,0,2]=4 764 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,0,0,0,1,0|1,0,2]=4 765 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,0,0,0,1,0|1,0,2]=4 766 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,0,1,0|0,0,1]=2 767 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,0,0,0,1,0|0,0,3]=4 768 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,0,1,0|1,0,2]=4 769 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,0,0,0,1,0|1,0,2]=4 770 B15R2.1237 CC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_200000210301 [0,0,0,0,0,1|0,0,0]=1 771 B15R2.1237 [13CH3]C(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_200025704644 [0,0,0,0,0,1|0,0,0]=1 772 B15R2.1668 CC(=Cc1cc2ccccc2cn1)C 271570a_100102525489_100000047361 [0,0,0,0,0,1|2,0,0]=3 773 B15R2.1668 CC(=Cc1ccc2ccccc2c1)C 271570a_100102525489_100000233703 [0,0,0,0,0,1|1,0,0]=2 774 B15R2.1668 CC(=Cc1ccc2ccccc2n1)C 271570a_100102525489_100011291633 [0,0,0,0,0,1|2,0,0]=3 775 B15R2.1668 CC(=Cc1ccc2cccnc2c1)C 271570a_100102525489_100009816655 [0,0,0,0,0,1|2,0,0]=3 776 B15R2.1668 CC(=Cc1ccc2cccnc2n1)C 271570a_100102525489_100009888989 [0,0,0,0,0,1|3,0,0]=4 777 B15R2.1668 CC(=Cc1ccc2ccncc2c1)C 271570a_100102525489_100000686496 [0,0,0,0,0,1|2,0,0]=3 778 B15R2.1668 CC(=Cc1ccc2ccncc2n1)C 271570a_100102525489_100000020162 [0,0,0,0,0,1|3,0,0]=4 779 B15R2.1668 CC(=Cc1ccc2cnccc2c1)C 271570a_100102525489_100009816743 [0,0,0,0,0,1|2,0,0]=3 780 B15R2.1668 CC(=Cc1ccc2cncnc2c1)C 271570a_100102525489_100010185614 [0,0,0,0,0,1|3,0,0]=4 781 B15R2.1668 CC(=Cc1ccc2cnncc2c1)C 271570a_100102525489_100010198781 [0,0,0,0,0,1|3,0,0]=4 782 B15R2.1668 CC(=Cc1ccc2ncccc2c1)C 271570a_100102525489_100000754243 [0,0,0,0,0,1|2,0,0]=3 783 B15R2.1668 CC(=Cc1ccc2ncccc2n1)C 271570a_100102525489_100000073381 [0,0,0,0,0,1|3,0,0]=4 784 B15R2.1668 CC(=Cc1ccc2nccnc2c1)C 271570a_100102525489_100011219451 [0,0,0,0,0,1|3,0,0]=4 785 B15R2.1668 CC(=Cc1ccc2ncncc2c1)C 271570a_100102525489_100009989443 [0,0,0,0,0,1|3,0,0]=4 786 B15R2.1668 CC(=Cc1ccc2nnccc2c1)C 271570a_100102525489_100010209549 [0,0,0,0,0,1|3,0,0]=4 787 B15R2.1668 CC(=Cc1cnc2ccccc2c1)C 271570a_100102525489_100000737414 [0,0,0,0,0,1|2,0,0]=3 788 B15R2.1668 CC(=Cc1cnc2ccccc2n1)C 271570a_100102525489_100000756483 [0,0,0,0,0,1|3,0,0]=4 789 B15R2.1668 CC(=Cc1cnc2cccnc2c1)C 271570a_100102525489_100010246316 [0,0,0,0,0,1|3,0,0]=4 790 B15R2.1668 CC(=Cc1ncc2ccccc2n1)C 271570a_100102525489_100000097389 [0,0,0,0,0,1|3,0,0]=4 791 B15R2.1668 CC(=O)Cc1cc2ccccc2cn1 1458a_100000070787_100009869231 [0,0,0,0,0,1|1,0,0]=2 792 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000070787_100011216711 [0,0,0,0,0,1|0,0,0]=1 793 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200000210301 [0,0,0,0,0,1|0,0,0]=1 794 B15R2.1668 CC(=O)Cc1ccc2ccccc2n1 1458a_100000070787_100000737579 [0,0,0,0,0,1|1,0,0]=2 795 B15R2.1668 CC(=O)Cc1ccc2cnccc2c1 1458a_100000070787_100020605334 [0,0,0,0,0,1|1,0,0]=2 796 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100000070787_100000703657 [0,0,0,0,0,1|1,0,0]=2 797 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200000210301 [0,0,0,0,0,1|1,0,0]=2 798 B15R2.1668 CC(=O)Cc1ccc2nccnc2c1 1458a_100000070787_200011762199 [0,0,0,0,0,1|2,0,0]=3 799 B15R2.1668 CC(=O)Cc1cnc2ccccc2n1 1458a_100000070787_200000751123 [0,0,0,0,0,1|2,0,0]=3 800 B15R2.1668 CC(=O)Cc1ncc2ccccc2n1 1458a_100000070787_100009868571 [0,0,0,0,0,1|2,0,0]=3 801 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100015343762 [0,0,0,0,0,1|0,0,0]=1 802 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100015343762 [0,0,0,0,0,1|0,0,0]=1 803 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000070787 [0,0,0,0,0,1|0,0,0]=1 804 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100103153847 [0,0,0,0,0,1|0,0,0]=1 805 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100015343762 [0,0,0,0,0,1|1,0,0]=2 806 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100015343762 [0,0,0,0,0,1|1,0,0]=2 807 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000070787 [0,0,0,0,0,1|1,0,0]=2 808 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100103153847 [0,0,0,0,0,1|1,0,0]=2 809 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 11a_100000069342_100015343762 [0,0,0,0,0,1|1,0,0]=2 810 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100015343762 [0,0,0,0,0,1|1,0,0]=2 811 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000070787 [0,0,0,0,0,1|1,0,0]=2 812 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 527a_100000069342_100103153847 [0,0,0,0,0,1|1,0,0]=2 813 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 11a_100000039641_100015343762 [0,0,0,0,0,1|1,0,0]=2 814 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100015343762 [0,0,0,0,0,1|1,0,0]=2 815 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000070787 [0,0,0,0,0,1|1,0,0]=2 816 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 527a_100000039641_100103153847 [0,0,0,0,0,1|1,0,0]=2 817 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100015343762 [0,0,0,0,0,1|1,0,0]=2 818 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100015343762 [0,0,0,0,0,1|1,0,0]=2 819 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000070787 [0,0,0,0,0,1|1,0,0]=2 820 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100103153847 [0,0,0,0,0,1|1,0,0]=2 821 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 11a_100011219565_100015343762 [0,0,0,0,0,1|2,0,0]=3 822 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 1626a_100011219565_100015343762 [0,0,0,0,0,1|2,0,0]=3 823 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 22a_100011219565_100000070787 [0,0,0,0,0,1|2,0,0]=3 824 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 527a_100011219565_100103153847 [0,0,0,0,0,1|2,0,0]=3 825 B15R2.1668 CC(=O)Nc1ccc2ncncc2c1 11a_100000099906_100015343762 [0,0,0,0,0,1|2,0,0]=3 826 B15R2.1668 CC(=O)Nc1ccc2ncncc2c1 1626a_100000099906_100015343762 [0,0,0,0,0,1|2,0,0]=3 827 B15R2.1668 CC(=O)Nc1ccc2ncncc2c1 22a_100000099906_100000070787 [0,0,0,0,0,1|2,0,0]=3 828 B15R2.1668 CC(=O)Nc1ccc2ncncc2c1 527a_100000099906_100103153847 [0,0,0,0,0,1|2,0,0]=3 829 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210206 [0,0,0,0,0,1|1,0,1]=3 830 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000210206 [0,0,0,0,0,1|1,0,1]=3 831 B15R2.1668 CC(C)Nc1ccc2ccccc2n1 27a_100138425928_100011291633 [0,0,0,0,0,1|2,0,1]=4 832 B15R2.1668 CC(C)Nc1ccc2cccnc2c1 34a_100102887122_100000210206 [0,0,0,0,0,1|2,0,1]=4 833 B15R2.1668 CC(C)Nc1ccc2cnccc2c1 34a_100000039641_100000210206 [0,0,0,0,0,1|2,0,1]=4 834 B15R2.1668 CC(C)Nc1ccc2ncccc2c1 34a_100011198106_100000210206 [0,0,0,0,0,1|2,0,1]=4 835 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210206 [0,0,0,0,0,1|1,0,1]=3 836 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000210206 [0,0,0,0,0,1|1,0,1]=3 837 B15R2.1668 CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000210206 [0,0,0,0,0,1|2,0,1]=4 838 B15R2.1668 CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000210206 [0,0,0,0,0,1|2,0,1]=4 839 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000210206 [0,0,0,0,0,1|2,0,1]=4 840 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000210206 [0,0,0,0,0,1|2,0,1]=4 841 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000210206 [0,0,0,0,0,1|2,0,1]=4 842 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000210206 [0,0,0,0,0,1|2,0,1]=4 843 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210206 [0,0,0,0,0,1|2,0,1]=4 844 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000210206 [0,0,0,0,0,1|2,0,1]=4 845 B15R2.1668 CC(C)Sc1cc2ccccc2cn1 62a_100000210206_100000047361 [0,0,0,0,0,1|2,0,1]=4 846 B15R2.1668 CC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000210206 [0,0,0,0,0,1|2,0,1]=4 847 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 62a_100000210206_100000233703 [0,0,0,0,0,1|1,0,1]=3 848 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100000210206_100011291633 [0,0,0,0,0,1|2,0,1]=4 849 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000210206 [0,0,0,0,0,1|2,0,1]=4 850 B15R2.1668 CC(C)Sc1ccc2cccnc2c1 62a_100000210206_100009816655 [0,0,0,0,0,1|2,0,1]=4 851 B15R2.1668 CC(C)Sc1ccc2ccncc2c1 62a_100000210206_100000686496 [0,0,0,0,0,1|2,0,1]=4 852 B15R2.1668 CC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000210206 [0,0,0,0,0,1|2,0,1]=4 853 B15R2.1668 CC(C)Sc1ccc2cnccc2c1 62a_100000210206_100009816743 [0,0,0,0,0,1|2,0,1]=4 854 B15R2.1668 CC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000210206 [0,0,0,0,0,1|2,0,1]=4 855 B15R2.1668 CC(C)Sc1ccc2ncccc2c1 62a_100000210206_100011215947 [0,0,0,0,0,1|2,0,1]=4 856 B15R2.1668 CC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000210206 [0,0,0,0,0,1|2,0,1]=4 857 B15R2.1668 CC(C)Sc1cnc2ccccc2c1 62a_100000210206_100000737414 [0,0,0,0,0,1|2,0,1]=4 858 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 2230a_100102631434_100009869231 [0,0,0,0,0,1|3,0,0]=4 859 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 269982a_100102631434_100009869231 [0,0,0,0,0,1|3,0,0]=4 860 B15R2.1668 CN(C)Cc1cc2ccccc2cn1 270004a_100102631434_100000059776 [0,0,0,0,0,1|3,0,0]=4 861 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_200000210301 [0,0,0,0,0,1|2,0,0]=3 862 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100102631434_100011216711 [0,0,0,0,0,1|2,0,0]=3 863 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_200000210301 [0,0,0,0,0,1|2,0,0]=3 864 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100102631434_100011216711 [0,0,0,0,0,1|2,0,0]=3 865 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 270004a_100102631434_100000211584 [0,0,0,0,0,1|2,0,0]=3 866 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 2230a_100102631434_100000737579 [0,0,0,0,0,1|3,0,0]=4 867 B15R2.1668 CN(C)Cc1ccc2ccccc2n1 270004a_100102631434_100000759686 [0,0,0,0,0,1|3,0,0]=4 868 B15R2.1668 CN(C)Cc1ccc2cccnc2c1 270004a_100102631434_100011784159 [0,0,0,0,0,1|3,0,0]=4 869 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 2230a_100102631434_100020605334 [0,0,0,0,0,1|3,0,0]=4 870 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 269982a_100102631434_100020605334 [0,0,0,0,0,1|3,0,0]=4 871 B15R2.1668 CN(C)Cc1ccc2cnccc2c1 270004a_100102631434_100000068276 [0,0,0,0,0,1|3,0,0]=4 872 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 2230a_100000207558_200000210301 [0,0,0,0,0,1|3,0,0]=4 873 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 2230a_100102631434_100000703657 [0,0,0,0,0,1|3,0,0]=4 874 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 269982a_100000207558_200000210301 [0,0,0,0,0,1|3,0,0]=4 875 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 269982a_100102631434_100000703657 [0,0,0,0,0,1|3,0,0]=4 876 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 270004a_100102631434_100000211315 [0,0,0,0,0,1|3,0,0]=4 877 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 2230a_100011875994_200000210301 [0,0,0,0,0,1|3,0,0]=4 878 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 269982a_100011875994_200000210301 [0,0,0,0,0,1|3,0,0]=4 879 B15R2.1668 CN(C)Cc1cnc2ccccc2c1 270004a_100102631434_100000750898 [0,0,0,0,0,1|3,0,0]=4 880 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 2230a_100000185194_200025704644 [0,0,0,0,0,1|2,0,0]=3 881 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 269982a_100000185194_200025704644 [0,0,0,0,0,1|2,0,0]=3 882 B15R2.1668 CN([13CH3])Cc1ccc2ncccc2c1 2230a_100000207558_200025704644 [0,0,0,0,0,1|3,0,0]=4 883 B15R2.1668 CN([13CH3])Cc1ccc2ncccc2c1 269982a_100000207558_200025704644 [0,0,0,0,0,1|3,0,0]=4 884 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2c1 2230a_100011875994_200025704644 [0,0,0,0,0,1|3,0,0]=4 885 B15R2.1668 CN([13CH3])Cc1cnc2ccccc2c1 269982a_100011875994_200025704644 [0,0,0,0,0,1|3,0,0]=4 886 B15R2.1668 [13CH3]C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200025704644 [0,0,0,0,0,1|0,0,0]=1 887 B15R2.1668 [13CH3]C(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200025704644 [0,0,0,0,0,1|1,0,0]=2 888 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000188517_100000210623 [1,0,1,0,0,0|1,0,1]=4 889 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000210623_100000188517 [1,0,1,0,0,0|1,0,1]=4 890 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [1,0,1,0,0,0|2,0,0]=4 891 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [1,0,1,0,0,0|2,0,0]=4 892 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [1,0,1,0,0,0|2,0,0]=4 893 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [1,0,1,0,0,0|2,0,0]=4 894 B12R1.113 C=C(C)c1ccc(cc1)/C=C/Br 271570a_100000694244_200016255901 [1,0,1,0,0,0|2,0,0]=4 895 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [1,0,1,0,0,0|1,0,1]=4 896 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [1,0,1,0,0,0|1,0,1]=4 897 B12R1.113 C=C=Cc1ccc(cc1)C(=C)C 271570a_100015277604_100000185454 [1,0,1,0,0,0|1,0,1]=4 898 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [1,0,1,0,0,0|0,0,1]=3 899 B12R1.113 C=C=Cc1ccc(cc1)C(=O)N 271570a_100015277604_100000162191 [1,0,1,0,0,0|1,0,1]=4 900 B12R1.113 C=C=Cc1ccc(cc1)S(=O)C 271570a_100015277604_100009816266 [1,0,1,0,0,0|1,0,1]=4 901 B12R1.113 C=C=Cc1ccc(cn1)C(=O)C 271570a_100015277604_100000684857 [1,0,1,0,0,0|1,0,1]=4 902 B12R1.113 C=C=Cc1ccc(nc1)C(=O)C 271570a_100015277604_100000686046 [1,0,1,0,0,0|1,0,1]=4 903 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [1,0,1,0,0,0|0,0,1]=3 904 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [1,0,1,0,0,0|1,0,1]=4 905 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [1,0,1,0,0,0|1,0,1]=4 906 B12R1.113 CC=Cc1ccc(cn1)C(=O)C 271570a_100016259895_100000684857 [1,0,1,0,0,0|1,0,1]=4 907 B12R1.113 CC=Cc1ccc(nc1)C(=O)C 271570a_100016259895_100000686046 [1,0,1,0,0,0|1,0,1]=4 908 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [1,0,1,0,0,0|0,0,2]=4 909 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [1,0,1,0,0,0|1,0,1]=4 910 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [1,0,1,0,0,0|1,0,1]=4 911 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [1,0,1,0,0,0|1,0,1]=4 912 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [1,0,1,0,0,0|1,0,1]=4 913 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [1,0,1,0,0,0|1,0,1]=4 914 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [1,0,1,0,0,0|1,0,1]=4 915 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [1,0,1,0,0,0|1,0,1]=4 916 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [1,0,1,0,0,0|1,0,0]=3 917 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [1,0,1,0,0,0|1,0,0]=3 918 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [1,0,1,0,0,0|1,0,0]=3 919 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [1,0,1,0,0,0|1,0,0]=3 920 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [1,0,1,0,0,0|1,0,0]=3 921 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [1,0,1,0,0,0|1,0,0]=3 922 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [1,0,1,0,0,0|1,0,0]=3 923 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [1,0,1,0,0,0|1,0,0]=3 924 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [1,0,1,0,0,0|1,0,0]=3 925 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [1,0,1,0,0,0|2,0,0]=4 926 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [1,0,1,0,0,0|0,0,1]=3 927 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [1,0,1,0,0,0|1,0,1]=4 928 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [1,0,1,0,0,0|1,0,0]=3 929 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [1,0,1,0,0,0|2,0,0]=4 930 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [1,0,1,0,0,0|1,0,0]=3 931 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [1,0,1,0,0,0|2,0,0]=4 932 B12R1.48 C=Cc1cnc(cc1C)C(=O)C 271570a_100011290941_100011011822 [1,0,1,0,0,0|1,0,1]=4 933 B12R1.48 C=Cc1ncc(cc1C)C(=O)C 271570a_100011290941_100009864263 [1,0,1,0,0,0|1,0,1]=4 934 B12R1.114 C=C=Cc1ccc(cc1C)C=O 271570a_100015277604_100000765772 [1,0,1,0,0,0|0,0,2]=4 935 B12R1.114 C=C=Cc1ccc(cc1F)C=O 271570a_100015277604_100000686674 [1,0,1,0,0,0|1,0,1]=4 936 B12R1.114 C=C=Cc1ccc(cc1O)C=O 271570a_100015277604_100000041418 [1,0,1,0,0,0|1,0,1]=4 937 B12R1.114 CC=Cc1ccc(cc1C)C=O 271570a_100016259895_100000765772 [1,0,1,0,0,0|0,0,2]=4 938 B12R1.114 CC=Cc1ccc(cc1F)C=O 271570a_100016259895_100000686674 [1,0,1,0,0,0|1,0,1]=4 939 B12R1.114 CC=Cc1ccc(cc1O)C=O 271570a_100016259895_100000041418 [1,0,1,0,0,0|1,0,1]=4 940 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,0,1,0,0,0|0,0,1]=3 941 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,0,1,0,0,0|0,0,1]=3 942 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [1,0,1,0,0,0|1,0,0]=3 943 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [1,0,1,0,0,0|2,0,0]=4 944 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,0,1,0,0,0|0,0,1]=3 945 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [1,0,1,0,0,0|1,0,0]=3 946 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [1,0,1,0,0,0|0,0,1]=3 947 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [1,0,1,0,0,0|1,0,1]=4 948 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [1,0,1,0,0,0|0,0,1]=3 949 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [1,0,1,0,0,0|1,0,0]=3 950 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [1,0,1,0,0,0|1,0,1]=4 951 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [1,0,1,0,0,0|1,0,0]=3 952 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [1,0,1,0,0,0|2,0,0]=4 953 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [1,0,1,0,0,0|2,0,0]=4 954 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [1,0,1,0,0,0|1,0,0]=3 955 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [1,0,1,0,0,0|1,0,0]=3 956 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [1,0,1,0,0,0|2,0,0]=4 957 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [1,0,1,0,0,0|2,0,0]=4 958 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,0,1,0,0,0|1,0,1]=4 959 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [1,0,1,0,0,0|2,0,0]=4 960 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [1,0,1,0,0,0|2,0,0]=4 961 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [1,0,1,0,0,0|1,0,0]=3 962 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [1,0,1,0,0,0|0,0,1]=3 963 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [1,0,1,0,0,0|1,0,1]=4 964 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [1,0,1,0,0,0|1,0,0]=3 965 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [1,0,1,0,0,0|2,0,0]=4 966 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [1,0,1,0,0,0|1,0,0]=3 967 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [1,0,1,0,0,0|1,0,0]=3 968 B12R1.56 C=Cc1cc(cnc1F)C(=O)C 271570a_100011290941_200010135287 [1,0,1,0,0,0|2,0,0]=4 969 B12R1.270 C=C=Cc1cc(ccc1Br)C=O 271570a_100015277604_100010146563 [1,0,1,0,0,0|1,0,1]=4 970 B12R1.270 C=C=Cc1cc(ccc1C)C=O 271570a_100015277604_100000695567 [1,0,1,0,0,0|0,0,2]=4 971 B12R1.270 C=C=Cc1cc(ccc1Cl)C=O 271570a_100015277604_100010209939 [1,0,1,0,0,0|1,0,1]=4 972 B12R1.270 C=C=Cc1cc(ccc1F)C=O 271570a_100015277604_100000211747 [1,0,1,0,0,0|1,0,1]=4 973 B12R1.270 C=C=Cc1cc(ccc1O)C=O 271570a_100015277604_100000184552 [1,0,1,0,0,0|1,0,1]=4 974 B12R1.270 CC=Cc1cc(ccc1Br)C=O 271570a_100016259895_100010146563 [1,0,1,0,0,0|1,0,1]=4 975 B12R1.270 CC=Cc1cc(ccc1C)C=O 271570a_100016259895_100000695567 [1,0,1,0,0,0|0,0,2]=4 976 B12R1.270 CC=Cc1cc(ccc1Cl)C=O 271570a_100016259895_100010209939 [1,0,1,0,0,0|1,0,1]=4 977 B12R1.270 CC=Cc1cc(ccc1F)C=O 271570a_100016259895_100000211747 [1,0,1,0,0,0|1,0,1]=4 978 B12R1.270 CC=Cc1cc(ccc1O)C=O 271570a_100016259895_100000184552 [1,0,1,0,0,0|1,0,1]=4 979 B12R1.279 C=C(C)c1cccc(c1)C=CC 271570a_100016259895_100012123953 [1,0,1,0,0,0|1,0,1]=4 980 B12R1.279 C=C=Cc1cc(ccn1)C(=O)C 271570a_100015277604_100000685609 [1,0,1,0,0,0|1,0,1]=4 981 B12R1.279 C=C=Cc1cccc(c1)C(=C)C 271570a_100015277604_100012123953 [1,0,1,0,0,0|1,0,1]=4 982 B12R1.279 C=C=Cc1cccc(c1)C(=O)C 271570a_100015277604_100000210093 [1,0,1,0,0,0|0,0,1]=3 983 B12R1.279 C=C=Cc1cccc(c1)C(=O)N 271570a_100015277604_100000162208 [1,0,1,0,0,0|1,0,1]=4 984 B12R1.279 C=C=Cc1cccc(c1)S(=O)C 271570a_100015277604_100009816267 [1,0,1,0,0,0|1,0,1]=4 985 B12R1.279 C=C=Cc1cccc(n1)C(=O)C 271570a_100015277604_100009816502 [1,0,1,0,0,0|1,0,1]=4 986 B12R1.279 C=C=Cc1ccnc(c1)C(=O)C 271570a_100015277604_100000709912 [1,0,1,0,0,0|1,0,1]=4 987 B12R1.279 C=C=Cc1cncc(c1)C(=O)C 271570a_100015277604_100011216243 [1,0,1,0,0,0|1,0,1]=4 988 B12R1.279 C=CCc1cccc(c1)C(=C)C 271570a_100000694244_100009816576 [1,0,1,0,0,0|1,0,1]=4 989 B12R1.279 CC=Cc1cc(ccn1)C(=O)C 271570a_100016259895_100000685609 [1,0,1,0,0,0|1,0,1]=4 990 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [1,0,1,0,0,0|0,0,1]=3 991 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [1,0,1,0,0,0|1,0,1]=4 992 B12R1.279 CC=Cc1cccc(c1)S(=O)C 271570a_100016259895_100009816267 [1,0,1,0,0,0|1,0,1]=4 993 B12R1.279 CC=Cc1cccc(n1)C(=O)C 271570a_100016259895_100009816502 [1,0,1,0,0,0|1,0,1]=4 994 B12R1.279 CC=Cc1ccnc(c1)C(=O)C 271570a_100016259895_100000709912 [1,0,1,0,0,0|1,0,1]=4 995 B12R1.279 CC=Cc1cncc(c1)C(=O)C 271570a_100016259895_100011216243 [1,0,1,0,0,0|1,0,1]=4 996 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000014684_100000210623 [1,0,1,0,0,0|1,0,1]=4 997 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000210623_100000014684 [1,0,1,0,0,0|1,0,1]=4 998 B12R1.78 C=Cc1cc(ccc1C#N)C=O 271570a_100011290941_100012355660 [1,0,1,0,0,0|1,0,1]=4 999 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [1,0,1,0,0,0|1,0,0]=3 1000 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [1,0,1,0,0,0|2,0,0]=4 1001 B12R1.78 C=Cc1cc(ccc1NC)C=O 271570a_100011290941_200010290468 [1,0,1,0,0,0|1,0,1]=4 1002 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [1,0,1,0,0,0|1,0,1]=4 1003 B12R1.78 C=Cc1ccc(cc1C#N)C=O 271570a_100011290941_100010128726 [1,0,1,0,0,0|1,0,1]=4 1004 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [1,0,1,0,0,0|2,0,0]=4 1005 B12R1.78 C=Cc1ccc(cc1CO)C=O 271570a_100011290941_100015639582 [1,0,1,0,0,0|1,0,1]=4 1006 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [1,0,1,0,0,0|1,0,1]=4 1007 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [2,0,0,0,0,0|1,0,1]=4 1008 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [2,0,0,0,0,0|0,0,1]=3 1009 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [2,0,0,0,0,0|1,0,1]=4 1010 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [2,0,0,0,0,0|1,0,1]=4 1011 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [2,0,0,0,0,0|1,0,1]=4 1012 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [2,0,0,0,0,0|1,0,1]=4 1013 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [2,0,0,0,0,0|1,0,1]=4 1014 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [2,0,0,0,0,0|1,0,1]=4 1015 B14R1.65 C=CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210623 [0,1,1,0,0,0|1,0,1]=4 1016 B14R1.65 C=CCNc1ccc(cc1)C(=O)NC 27a_100020586998_100000155074 [0,1,1,0,0,0|1,0,1]=4 1017 B14R1.65 C=CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100015514636 [0,1,1,0,0,0|1,0,1]=4 1018 B14R1.65 C=CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100015514636 [0,1,1,0,0,0|1,0,1]=4 1019 B14R1.65 C=CCOc1ccc(cc1)C(=O)CC 1458a_100000216320_100000210202 [0,1,1,0,0,0|1,0,1]=4 1020 B14R1.65 C=CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100015514636 [0,1,1,0,0,0|1,0,1]=4 1021 B14R1.65 C=CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100015514636 [0,1,1,0,0,0|1,0,1]=4 1022 B14R1.65 C=CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100015514636 [0,1,1,0,0,0|1,0,1]=4 1023 B14R1.65 C=CCOc1ccc(cc1)C(=O)CF 1458a_100000216320_100015361967 [0,1,1,0,0,0|1,0,1]=4 1024 B14R1.65 C=CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100015514636 [0,1,1,0,0,0|1,0,1]=4 1025 B14R1.65 C=CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100015514636 [0,1,1,0,0,0|1,0,1]=4 1026 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000216320 [0,1,1,0,0,0|1,0,1]=4 1027 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000216320 [0,1,1,0,0,0|1,0,1]=4 1028 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000216320 [0,1,1,0,0,0|1,0,1]=4 1029 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100015514636 [0,1,1,0,0,0|1,0,1]=4 1030 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000216320 [0,1,1,0,0,0|1,0,1]=4 1031 B14R1.65 C=CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100015514636 [0,1,1,0,0,0|1,0,1]=4 1032 B14R1.65 C=CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100015514636 [0,1,1,0,0,0|1,0,1]=4 1033 B14R1.65 C=CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100015514636 [0,1,1,0,0,0|1,0,1]=4 1034 B14R1.65 C=CCSc1ccc(cc1)C(=O)CC 62a_100000210623_100000211647 [0,1,1,0,0,0|1,0,1]=4 1035 B14R1.65 C=CCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210623 [0,1,1,0,0,0|1,0,1]=4 1036 B14R1.65 C=CCSc1ccc(cc1)C(=O)CN 62a_100000017248_100000210623 [0,1,1,0,0,0|1,0,1]=4 1037 B14R1.65 C=CCSc1ccc(cc1)C(=O)CN 62a_100000210623_100000017248 [0,1,1,0,0,0|1,0,1]=4 1038 B14R1.65 C=CCSc1ccc(cc1)C(=O)CO 62a_100000210623_100011219529 [0,1,1,0,0,0|1,0,1]=4 1039 B14R1.65 C=CCSc1ccc(cc1)C(=O)CO 62a_100011219529_100000210623 [0,1,1,0,0,0|1,0,1]=4 1040 B14R1.65 C=CCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210623 [0,1,1,0,0,0|1,0,1]=4 1041 B14R1.65 C=CCSc1ccc(cc1)C(=O)NC 62a_100000210623_100000155074 [0,1,1,0,0,0|1,0,1]=4 1042 B14R1.65 C=CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210623 [0,1,1,0,0,0|1,0,1]=4 1043 B14R1.65 C=CCSc1ccc(cc1)C(=O)OC 62a_100000210623_100000150774 [0,1,1,0,0,0|1,0,1]=4 1044 B14R1.71 C=CCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100015514636 [0,1,1,0,0,0|1,0,1]=4 1045 B14R1.71 C=CCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100015514636 [0,1,1,0,0,0|1,0,1]=4 1046 B14R1.71 C=CCOc1ccc(cc1C)C(=O)C 34a_100000188726_100015514636 [0,1,1,0,0,0|1,0,1]=4 1047 B14R1.71 C=CCOc1ccc(cc1C)C(=O)C 7a_100000188726_100015514636 [0,1,1,0,0,0|1,0,1]=4 1048 B14R1.71 C=CCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100015514636 [0,1,1,0,0,0|1,0,1]=4 1049 B14R1.71 C=CCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100015514636 [0,1,1,0,0,0|1,0,1]=4 1050 B14R1.71 C=CCOc1ccc(cc1F)C(=O)C 34a_100000751691_100015514636 [0,1,1,0,0,0|1,0,1]=4 1051 B14R1.71 C=CCOc1ccc(cc1F)C(=O)C 7a_100000751691_100015514636 [0,1,1,0,0,0|1,0,1]=4 1052 B14R1.71 C=CCOc1ccc(cc1N)C(=O)C 34a_100000117292_100015514636 [0,1,1,0,0,0|1,0,1]=4 1053 B14R1.71 C=CCOc1ccc(cc1N)C(=O)C 7a_100000117292_100015514636 [0,1,1,0,0,0|1,0,1]=4 1054 B14R1.71 C=CCSc1ccc(cc1Br)C(=O)C 62a_100000210623_100010146554 [0,1,1,0,0,0|1,0,1]=4 1055 B14R1.71 C=CCSc1ccc(cc1Br)C(=O)C 62a_100010146554_100000210623 [0,1,1,0,0,0|1,0,1]=4 1056 B14R1.71 C=CCSc1ccc(cc1C)C(=O)C 62a_100000210623_100000697869 [0,1,1,0,0,0|1,0,1]=4 1057 B14R1.71 C=CCSc1ccc(cc1C)C(=O)C 62a_100000697869_100000210623 [0,1,1,0,0,0|1,0,1]=4 1058 B14R1.71 C=CCSc1ccc(cc1F)C(=O)C 62a_100000210623_100000690002 [0,1,1,0,0,0|1,0,1]=4 1059 B14R1.71 C=CCSc1ccc(cc1F)C(=O)C 62a_100000690002_100000210623 [0,1,1,0,0,0|1,0,1]=4 1060 B14R1.71 C=CCSc1ccc(cc1N)C(=O)C 62a_100009816534_100000210623 [0,1,1,0,0,0|1,0,1]=4 1061 B14R1.419 C=C(C)COc1ccc(cc1)C(=O)C 34a_100000185113_100000748629 [0,1,1,0,0,0|1,0,1]=4 1062 B14R1.419 C=C(C)COc1ccc(cc1)C(=O)C 7a_100000185113_100000748629 [0,1,1,0,0,0|1,0,1]=4 1063 B14R1.419 C=C(C)CSc1ccc(cc1)C(=O)C 62a_100000185465_100000211660 [0,1,1,0,0,0|1,0,1]=4 1064 B14R1.419 C=C(C)CSc1ccc(cc1)C(=O)C 62a_100000748629_100000185465 [0,1,1,0,0,0|1,0,1]=4 1065 B14R1.419 C=C(C)c1ccc(cc1)/C=C/C(=O)C 271570a_100000694244_200016259395 [0,1,1,0,0,0|1,0,1]=4 1066 B14R1.419 C=C(F)COc1ccc(cc1)C(=O)C 34a_100000185113_100009893438 [0,1,1,0,0,0|1,0,1]=4 1067 B14R1.419 C=C(F)COc1ccc(cc1)C(=O)C 7a_100000185113_100000042424 [0,1,1,0,0,0|1,0,1]=4 1068 B14R1.419 C=C(F)CSc1ccc(cc1)C(=O)C 62a_100000042424_100000185465 [0,1,1,0,0,0|1,0,1]=4 1069 B14R1.419 C=C(F)CSc1ccc(cc1)C(=O)C 62a_100000185465_100000042424 [0,1,1,0,0,0|1,0,1]=4 1070 B14R1.419 CC(=O)c1ccc(cc1)/C=C/[N+](=O)[O-] 1458a_200016259043_200000210301 [0,1,1,0,0,0|2,0,0]=4 1071 B14R1.419 CC(=O)c1ccc(cc1)C=CC(C)C 271570a_100016257149_100000185465 [0,1,1,0,0,0|0,0,2]=4 1072 B14R1.419 CC(=O)c1ccc(cc1)C=CC(C)O 271570a_200011019289_100000185465 [0,1,1,0,0,0|0,0,2]=4 1073 B14R1.419 [13CH3]C(=O)c1ccc(cc1)/C=C/[N+](=O)[O-] 1458a_200016259043_200025704644 [0,1,1,0,0,0|2,0,0]=4 1074 B14R1.462 C/C=C/COc1ccc(cc1)C(=O)C 34a_100000185113_100102629194 [0,1,1,0,0,0|0,0,2]=4 1075 B14R1.462 C/C=C/COc1ccc(cc1)C(=O)C 7a_100000185113_100102629194 [0,1,1,0,0,0|0,0,2]=4 1076 B14R1.462 C/C=C/CSc1ccc(cc1)C(=O)C 62a_100000185465_100102629194 [0,1,1,0,0,0|0,0,2]=4 1077 B14R1.462 C/C=C/CSc1ccc(cc1)C(=O)C 62a_100102629194_100000185465 [0,1,1,0,0,0|0,0,2]=4 1078 B14R1.462 C=CCCOc1ccc(cc1)C(=O)C 1458a_100011219481_200000210301 [0,1,1,0,0,0|0,0,2]=4 1079 B14R1.462 C=CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000754431 [0,1,1,0,0,0|0,0,2]=4 1080 B14R1.462 C=CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000754431 [0,1,1,0,0,0|0,0,2]=4 1081 B14R1.462 C=CCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100011219481_200025704644 [0,1,1,0,0,0|0,0,2]=4 1082 B14R1.462 C=CCCSc1ccc(cc1)C(=O)C 62a_100000185465_100000754431 [0,1,1,0,0,0|0,0,2]=4 1083 B14R1.462 C=CCCSc1ccc(cc1)C(=O)C 62a_100000754431_100000185465 [0,1,1,0,0,0|0,0,2]=4 1084 B14R1.462 C=CCNCc1ccc(cc1)C(=O)C 2230a_100020586998_100000756337 [0,1,1,0,0,0|0,0,2]=4 1085 B14R1.462 C=CCOCc1ccc(cc1)C(=O)C 34a_200000210373_100000756337 [0,1,1,0,0,0|0,0,2]=4 1086 B14R1.462 C=CCOCc1ccc(cc1)C(=O)C 7a_100000082505_100015514636 [0,1,1,0,0,0|0,0,2]=4 1087 B14R1.462 C=CCSCc1ccc(cc1)C(=O)C 62a_100000210623_100000756337 [0,1,1,0,0,0|0,0,2]=4 1088 B14R1.462 C=CCSCc1ccc(cc1)C(=O)C 62a_100000756337_100000210623 [0,1,1,0,0,0|0,0,2]=4 1089 B14R1.462 CC=CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000070051 [0,1,1,0,0,0|0,0,2]=4 1090 B14R1.462 CC=CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000070051 [0,1,1,0,0,0|0,0,2]=4 1091 B14R1.462 CC=CCSc1ccc(cc1)C(=O)C 62a_100000070051_100000185465 [0,1,1,0,0,0|0,0,2]=4 1092 B14R1.462 CC=CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000070051 [0,1,1,0,0,0|0,0,2]=4 1093 B14R1.462 CCC/C=C/c1ccc(cc1)C(=O)C 1458a_200020627273_200000210301 [0,1,1,0,0,0|0,0,2]=4 1094 B14R1.462 CCC/C=C/c1ccc(cc1)C(=O)[13CH3] 1458a_200020627273_200025704644 [0,1,1,0,0,0|0,0,2]=4 1095 B14R1.462 CCCC=Cc1ccc(cc1)C(=O)C 271570a_100016258520_100000185465 [0,1,1,0,0,0|0,0,2]=4 1096 B14R1.462 CCOC=Cc1ccc(cc1)C(=O)C 271570a_100016256518_100000185465 [0,1,1,0,0,0|0,0,2]=4 1097 B14R1.462 COCC=Cc1ccc(cc1)C(=O)C 271570a_100016286323_100000185465 [0,1,1,0,0,0|0,0,2]=4 1098 B14R1.610 C=CCC(=O)c1ccc(cc1)C(=C)C 1458a_200009908186_100000210623 [0,1,1,0,0,0|1,0,1]=4 1099 B14R1.610 C=CCC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_100000210623 [0,1,1,0,0,0|1,0,1]=4 1100 B14R1.610 C=CCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210623 [0,1,1,0,0,0|1,0,1]=4 1101 B14R1.792 C=CCNc1ccc(c(c1)F)C(=O)C 27a_100020586998_100000690205 [0,1,1,0,0,0|1,0,1]=4 1102 B14R1.792 C=CCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100015514636 [0,1,1,0,0,0|1,0,1]=4 1103 B14R1.792 C=CCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100015514636 [0,1,1,0,0,0|1,0,1]=4 1104 B14R1.792 C=CCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100015514636 [0,1,1,0,0,0|1,0,1]=4 1105 B14R1.792 C=CCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100015514636 [0,1,1,0,0,0|1,0,1]=4 1106 B14R1.792 C=CCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100015514636 [0,1,1,0,0,0|1,0,1]=4 1107 B14R1.792 C=CCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100015514636 [0,1,1,0,0,0|1,0,1]=4 1108 B14R1.792 C=CCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100015514636 [0,1,1,0,0,0|1,0,1]=4 1109 B14R1.792 C=CCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100015514636 [0,1,1,0,0,0|1,0,1]=4 1110 B14R1.792 C=CCSc1ccc(c(c1)C)C(=O)C 62a_100000210623_100012360112 [0,1,1,0,0,0|1,0,1]=4 1111 B14R1.792 C=CCSc1ccc(c(c1)C)C(=O)C 62a_100012360112_100000210623 [0,1,1,0,0,0|1,0,1]=4 1112 B14R1.792 C=CCSc1ccc(c(c1)F)C(=O)C 62a_100000690205_100000210623 [0,1,1,0,0,0|1,0,1]=4 1113 B14R1.792 C=CCSc1ccc(c(c1)N)C(=O)C 62a_100011590516_100000210623 [0,1,1,0,0,0|1,0,1]=4 1114 B14R1.2879 C=CC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000185746_100000756337 [0,1,1,0,0,0|0,0,1]=3 1115 B14R1.2879 C=CC(=O)Cc1ccc(cc1)C(=O)N 1458a_100000185746_100000231043 [0,1,1,0,0,0|1,0,1]=4 1116 B14R1.2879 C=CC(=O)Nc1ccc(cc1)C(=O)N 1626a_100000210537_100000185746 [0,1,1,0,0,0|2,0,0]=4 1117 B14R1.2879 C=CC(=O)Nc1ccc(cc1)C(=O)N 22a_100000210537_100000185746 [0,1,1,0,0,0|2,0,0]=4 1118 B14R1.2879 C=CC(C)Sc1ccc(cc1)C(=O)C 62a_100011215867_100000185465 [0,1,1,0,0,0|1,0,1]=4 1119 B14R1.118 COc1c(cccc1C=CC(=O)C)F 1458a_100102526134_200000210301 [0,1,1,0,0,0|1,0,1]=4 1120 B14R1.118 COc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526134_200025704644 [0,1,1,0,0,0|1,0,1]=4 1121 B14R1.482 C=C=Cc1ccccc1CNC(=O)C 271570a_100015277604_100011237613 [0,1,1,0,0,0|1,0,1]=4 1122 B14R1.482 C=CCc1ccccc1C=CC(C)C 271570a_100016257149_100009828059 [0,1,1,0,0,0|1,0,1]=4 1123 B14R1.482 C=CCc1ccccc1C=CC(C)O 271570a_200011019289_100009828059 [0,1,1,0,0,0|0,0,2]=4 1124 B14R1.482 CC=Cc1ccccc1CNC(=O)C 271570a_100016259895_100011237613 [0,1,1,0,0,0|1,0,1]=4 1125 B14R1.482 CCOc1ccccc1C=CC(=O)C 1458a_100016304775_200000210301 [0,1,1,0,0,0|0,0,2]=4 1126 B14R1.482 CCOc1ccccc1C=CC(=O)[13CH3] 1458a_100016304775_200025704644 [0,1,1,0,0,0|0,0,2]=4 1127 B14R1.840 C=Cc1ccccc1C(=O)CC(=C)C 1458a_100011830265_100000748629 [0,1,1,0,0,0|1,0,1]=4 1128 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)C 271570a_100011290941_200011243946 [0,1,1,0,0,0|0,0,1]=3 1129 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)N 1458a_100011830265_100000187820 [0,1,1,0,0,0|1,0,1]=4 1130 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100011830265_100020667443 [0,1,1,0,0,0|1,0,1]=4 1131 B14R1.863 C=Cc1ccccc1/C=C/C(=O)OC 271570a_100011290941_100000151022 [0,1,1,0,0,0|0,0,0]=2 1132 B14R1.863 C=Cc1ccccc1CCC(=O)OC 271570a_100011290941_100009815308 [0,1,1,0,0,0|0,0,2]=4 1133 B14R1.863 C=Cc1ccccc1NCC(=O)NC 34a_100012022501_100000183359 [0,1,1,0,0,0|1,0,1]=4 1134 B14R1.863 C=Cc1ccccc1NCC(=O)OC 34a_100012022501_100000747449 [0,1,1,0,0,0|1,0,1]=4 1135 B14R1.863 C=Cc1ccccc1OCC(=O)NC 271570a_100011290941_200000148481 [0,1,1,0,0,0|1,0,1]=4 1136 B14R1.863 C=Cc1ccccc1OCC(=O)OC 271570a_100011290941_200000173920 [0,1,1,0,0,0|1,0,1]=4 1137 B14R1.863 C=Cc1ccccc1SCC(=O)CC 62a_100000747405_100011218376 [0,1,1,0,0,0|1,0,1]=4 1138 B14R1.863 C=Cc1ccccc1SCC(=O)CC 62a_100011218376_100000747405 [0,1,1,0,0,0|1,0,1]=4 1139 B14R1.863 C=Cc1ccccc1SCC(=O)NC 62a_100000183359_100011218376 [0,1,1,0,0,0|1,0,1]=4 1140 B14R1.863 C=Cc1ccccc1SCC(=O)NC 62a_100011218376_100000183359 [0,1,1,0,0,0|1,0,1]=4 1141 B14R1.863 C=Cc1ccccc1SCC(=O)OC 62a_100000747449_100011218376 [0,1,1,0,0,0|1,0,1]=4 1142 B14R1.863 C=Cc1ccccc1SCC(=O)OC 62a_100011218376_100000747449 [0,1,1,0,0,0|1,0,1]=4 1143 B14R1.863 CCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000210202 [0,1,1,0,0,0|1,0,1]=4 1144 B14R1.863 CCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210202 [0,1,1,0,0,0|1,0,1]=4 1145 B14R1.863 CNC(=O)C=Cc1ccccc1C#N 11a_106832991635_100016294624 [0,1,1,0,0,0|1,0,1]=4 1146 B14R1.863 CNC(=O)C=Cc1ccccc1OC 11a_106832991635_100000182468 [0,1,1,0,0,0|1,0,1]=4 1147 B14R1.863 CNC(=O)C=Cc1ccccc1OC 1626a_100102657272_100000182468 [0,1,1,0,0,0|1,0,1]=4 1148 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_100000151022_200000210301 [0,1,1,0,0,0|1,0,1]=4 1149 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_200000210301_100000151022 [0,1,1,0,0,0|1,0,1]=4 1150 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_100000151022_200025704644 [0,1,1,0,0,0|1,0,1]=4 1151 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_200025704644_100000151022 [0,1,1,0,0,0|1,0,1]=4 1152 B14R1.863 COC(=O)C=Cc1ccccc1OC 34a_200012823195_200000210301 [0,1,1,0,0,0|1,0,1]=4 1153 B14R1.863 COC(=O)C=Cc1ccccc1O[13CH3] 34a_200012823195_200025704644 [0,1,1,0,0,0|1,0,1]=4 1154 B14R1.863 COc1ccccc1C=CC(=O)CF 1458a_100000182468_100015361967 [0,1,1,0,0,0|1,0,1]=4 1155 B14R1.863 N#Cc1ccccc1C=CC(=O)CF 1458a_100016294624_100015361967 [0,1,1,0,0,0|1,0,1]=4 1156 B14R1.1865 COc1ccc(cc1C=CC(=O)C)Br 1458a_100016277830_200000210301 [0,1,1,0,0,0|1,0,1]=4 1157 B14R1.1865 COc1ccc(cc1C=CC(=O)C)C 1458a_100000702827_200000210301 [0,1,1,0,0,0|1,0,1]=4 1158 B14R1.1865 COc1ccc(cc1C=CC(=O)C)Cl 1458a_100000188112_200000210301 [0,1,1,0,0,0|1,0,1]=4 1159 B14R1.1865 COc1ccc(cc1C=CC(=O)C)F 1458a_100102526136_200000210301 [0,1,1,0,0,0|1,0,1]=4 1160 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])Br 1458a_100016277830_200025704644 [0,1,1,0,0,0|1,0,1]=4 1161 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])C 1458a_100000702827_200025704644 [0,1,1,0,0,0|1,0,1]=4 1162 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])Cl 1458a_100000188112_200025704644 [0,1,1,0,0,0|1,0,1]=4 1163 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])F 1458a_100102526136_200025704644 [0,1,1,0,0,0|1,0,1]=4 1164 B14R1.3135 C=Cc1ccccc1NC(=O)C(=C)C 11a_100012022501_100000185857 [0,1,1,0,0,0|2,0,0]=4 1165 B14R1.3135 C=Cc1ccccc1NC(=O)C(=C)C 1626a_100012022501_100000185857 [0,1,1,0,0,0|2,0,0]=4 1166 B14R1.3135 C=Cc1ccccc1NC(=O)C(=C)C 22a_100012022501_100000185857 [0,1,1,0,0,0|2,0,0]=4 1167 B14R1.3135 C=Cc1ccccc1NC(=O)C(=O)N 22a_100012022501_100011215815 [0,1,1,0,0,0|2,0,0]=4 1168 B14R1.3135 C=Cc1ccccc1SC(C)C(=O)C 62a_100009814033_100011218376 [0,1,1,0,0,0|1,0,1]=4 1169 B14R1.3135 C=Cc1ccccc1SC(C)C(=O)C 62a_100011218376_100009814033 [0,1,1,0,0,0|1,0,1]=4 1170 B14R1.4522 C=C(C)c1ccccc1CNC(=O)C 271570a_100000694244_100011237613 [0,1,1,0,0,0|1,0,1]=4 1171 B14R1.4522 CC(=O)C=Cc1ccccc1[N+](=O)[O-] 1458a_100000183330_200000210301 [0,1,1,0,0,0|2,0,0]=4 1172 B14R1.4522 [13CH3]C(=O)C=Cc1ccccc1[N+](=O)[O-] 1458a_100000183330_200025704644 [0,1,1,0,0,0|2,0,0]=4 1173 B14R1.124 CC(=O)c1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100010146554 [0,1,1,0,0,0|1,0,1]=4 1174 B14R1.124 CC(=O)c1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000697869 [0,1,1,0,0,0|0,0,2]=4 1175 B14R1.124 CC(=O)c1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000690002 [0,1,1,0,0,0|1,0,1]=4 1176 B14R1.124 CC(=O)c1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100009816534 [0,1,1,0,0,0|1,0,1]=4 1177 B14R1.3330 C=C=Cc1cc(c(cc1C)C(=O)C)O 271570a_100015277604_100009816031 [0,1,1,0,0,0|0,0,2]=4 1178 B14R1.3330 C=C=Cc1cc(c(cc1F)C(=O)C)F 271570a_100015277604_100012024335 [0,1,1,0,0,0|1,0,1]=4 1179 B14R1.3330 C=C=Cc1cc(c(cc1F)C(=O)C)O 271570a_100015277604_200010245088 [0,1,1,0,0,0|1,0,1]=4 1180 B14R1.3330 CC=Cc1cc(c(cc1C)C(=O)C)O 271570a_100016259895_100009816031 [0,1,1,0,0,0|0,0,2]=4 1181 B14R1.3330 CC=Cc1cc(c(cc1F)C(=O)C)F 271570a_100016259895_100012024335 [0,1,1,0,0,0|1,0,1]=4 1182 B14R1.3330 CC=Cc1cc(c(cc1F)C(=O)C)O 271570a_100016259895_200010245088 [0,1,1,0,0,0|1,0,1]=4 1183 B14R1.5198 C=C=Cc1c(cc(cc1F)C(=O)C)F 271570a_100015277604_100010371124 [0,1,1,0,0,0|1,0,1]=4 1184 B14R1.5198 CC=Cc1c(cc(cc1F)C(=O)C)F 271570a_100016259895_100010371124 [0,1,1,0,0,0|1,0,1]=4 1185 B14R1.6720 C=C=Cc1ccc(cc1Br)C(=O)OC 271570a_100015277604_100011294788 [0,1,1,0,0,0|1,0,1]=4 1186 B14R1.6720 C=C=Cc1ccc(cc1C)C(=O)CC 271570a_100015277604_200012349626 [0,1,1,0,0,0|0,0,2]=4 1187 B14R1.6720 C=C=Cc1ccc(cc1C)C(=O)NC 271570a_100015277604_200013065384 [0,1,1,0,0,0|0,0,2]=4 1188 B14R1.6720 C=C=Cc1ccc(cc1C)C(=O)OC 271570a_100015277604_100011215878 [0,1,1,0,0,0|0,0,2]=4 1189 B14R1.6720 C=C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100015277604_100012356344 [0,1,1,0,0,0|1,0,1]=4 1190 B14R1.6720 C=C=Cc1ccc(cc1F)C(=O)CN 271570a_100015277604_100016989600 [0,1,1,0,0,0|1,0,1]=4 1191 B14R1.6720 C=C=Cc1ccc(cc1F)C(=O)OC 271570a_100015277604_100000703229 [0,1,1,0,0,0|1,0,1]=4 1192 B14R1.6720 C=C=Cc1ccc(cc1N)C(=O)OC 271570a_100015277604_100011450966 [0,1,1,0,0,0|1,0,1]=4 1193 B14R1.6720 C=C=Cc1ccc(cc1O)C(=O)OC 271570a_100015277604_100012350776 [0,1,1,0,0,0|1,0,1]=4 1194 B14R1.6720 CC=Cc1ccc(cc1Br)C(=O)OC 271570a_100016259895_100011294788 [0,1,1,0,0,0|1,0,1]=4 1195 B14R1.6720 CC=Cc1ccc(cc1C)C(=O)CC 271570a_100016259895_200012349626 [0,1,1,0,0,0|0,0,2]=4 1196 B14R1.6720 CC=Cc1ccc(cc1C)C(=O)NC 271570a_100016259895_200013065384 [0,1,1,0,0,0|0,0,2]=4 1197 B14R1.6720 CC=Cc1ccc(cc1C)C(=O)OC 271570a_100016259895_100011215878 [0,1,1,0,0,0|0,0,2]=4 1198 B14R1.6720 CC=Cc1ccc(cc1Cl)C(=O)OC 271570a_100016259895_100012356344 [0,1,1,0,0,0|1,0,1]=4 1199 B14R1.6720 CC=Cc1ccc(cc1F)C(=O)CN 271570a_100016259895_100016989600 [0,1,1,0,0,0|1,0,1]=4 1200 B14R1.6720 CC=Cc1ccc(cc1F)C(=O)OC 271570a_100016259895_100000703229 [0,1,1,0,0,0|1,0,1]=4 1201 B14R1.6720 CC=Cc1ccc(cc1N)C(=O)OC 271570a_100016259895_100011450966 [0,1,1,0,0,0|1,0,1]=4 1202 B14R1.6720 CC=Cc1ccc(cc1O)C(=O)OC 271570a_100016259895_100012350776 [0,1,1,0,0,0|1,0,1]=4 1203 B14R1.6723 C=C=Cc1ccc(cc1C#N)C(=O)C 271570a_100015277604_100010125495 [0,1,1,0,0,0|0,0,2]=4 1204 B14R1.6723 C=C=Cc1ccc(cc1OC)C(=O)C 271570a_100015277604_100010110075 [0,1,1,0,0,0|0,0,2]=4 1205 B14R1.6723 CC=Cc1ccc(cc1C#N)C(=O)C 271570a_100016259895_100010125495 [0,1,1,0,0,0|0,0,2]=4 1206 B14R1.6723 CC=Cc1ccc(cc1OC)C(=O)C 271570a_100016259895_100010110075 [0,1,1,0,0,0|0,0,2]=4 1207 B14R1.6729 C=C=Cc1ccc(c(c1F)F)C(=O)C 271570a_100015277604_100010174444 [0,1,1,0,0,0|1,0,1]=4 1208 B14R1.6729 CC=Cc1ccc(c(c1F)F)C(=O)C 271570a_100016259895_100010174444 [0,1,1,0,0,0|1,0,1]=4 1209 B14R1.96 C=Cc1ccccc1C=NNC(=O)C 4a_100000189765_200011996377 [0,1,1,0,0,0|2,0,0]=4 1210 B14R1.1007 CC(=Cc1ccccc1Cl)C(=O)CF 1458a_100000693296_100015361967 [0,1,1,0,0,0|1,0,1]=4 1211 B14R1.1007 CCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000210202 [0,1,1,0,0,0|1,0,1]=4 1212 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 11a_106832991635_100000693296 [0,1,1,0,0,0|1,0,1]=4 1213 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 1626a_100102657272_100000693296 [0,1,1,0,0,0|1,0,1]=4 1214 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 240690a_100102657272_100000693296 [0,1,1,0,0,0|1,0,1]=4 1215 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 527a_100102657272_100000693296 [0,1,1,0,0,0|1,0,1]=4 1216 B14R1.415 CC(=O)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100011261029 [0,1,1,0,0,0|1,0,1]=4 1217 B14R1.756 C=C(CNc1ccccc1)C(=O)OC 34a_100000106764_100009813391 [0,1,1,0,0,0|1,0,1]=4 1218 B14R1.756 C=C(COc1ccccc1)C(=O)OC 34a_100000210340_100009813391 [0,1,1,0,0,0|1,0,1]=4 1219 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100000719477_100009813391 [0,1,1,0,0,0|1,0,1]=4 1220 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100009813391_100000041952 [0,1,1,0,0,0|1,0,1]=4 1221 B14R1.436 C=C=Cc1cc(ccc1Br)C(=O)OC 271570a_100015277604_100012349818 [0,1,1,0,0,0|1,0,1]=4 1222 B14R1.436 C=C=Cc1cc(ccc1C)C(=O)OC 271570a_100015277604_100011218856 [0,1,1,0,0,0|0,0,2]=4 1223 B14R1.436 C=C=Cc1cc(ccc1Cl)C(=O)OC 271570a_100015277604_100011294800 [0,1,1,0,0,0|1,0,1]=4 1224 B14R1.436 C=C=Cc1cc(ccc1F)C(=O)CC 271570a_100015277604_100011216493 [0,1,1,0,0,0|1,0,1]=4 1225 B14R1.436 C=C=Cc1cc(ccc1F)C(=O)NC 271570a_100015277604_200012359898 [0,1,1,0,0,0|1,0,1]=4 1226 B14R1.436 C=C=Cc1cc(ccc1F)C(=O)OC 271570a_100015277604_100000722584 [0,1,1,0,0,0|1,0,1]=4 1227 B14R1.436 C=C=Cc1cc(ccc1N)C(=O)OC 271570a_100015277604_100000187552 [0,1,1,0,0,0|1,0,1]=4 1228 B14R1.436 C=C=Cc1cc(ccc1O)C(=O)OC 271570a_100015277604_100000216328 [0,1,1,0,0,0|1,0,1]=4 1229 B14R1.436 CC=Cc1cc(ccc1Br)C(=O)OC 271570a_100016259895_100012349818 [0,1,1,0,0,0|1,0,1]=4 1230 B14R1.436 CC=Cc1cc(ccc1C)C(=O)OC 271570a_100016259895_100011218856 [0,1,1,0,0,0|0,0,2]=4 1231 B14R1.436 CC=Cc1cc(ccc1Cl)C(=O)OC 271570a_100016259895_100011294800 [0,1,1,0,0,0|1,0,1]=4 1232 B14R1.436 CC=Cc1cc(ccc1F)C(=O)CC 271570a_100016259895_100011216493 [0,1,1,0,0,0|1,0,1]=4 1233 B14R1.436 CC=Cc1cc(ccc1F)C(=O)NC 271570a_100016259895_200012359898 [0,1,1,0,0,0|1,0,1]=4 1234 B14R1.436 CC=Cc1cc(ccc1F)C(=O)OC 271570a_100016259895_100000722584 [0,1,1,0,0,0|1,0,1]=4 1235 B14R1.436 CC=Cc1cc(ccc1N)C(=O)OC 271570a_100016259895_100000187552 [0,1,1,0,0,0|1,0,1]=4 1236 B14R1.436 CC=Cc1cc(ccc1O)C(=O)OC 271570a_100016259895_100000216328 [0,1,1,0,0,0|1,0,1]=4 1237 B14R1.441 C=C=Cc1cc(ccc1OC)C(=O)C 271570a_100015277604_100000185153 [0,1,1,0,0,0|0,0,2]=4 1238 B14R1.441 C=CCc1cc(ccc1OC)C(=O)C 7a_200000038806_200000210301 [0,1,1,0,0,0|0,0,2]=4 1239 B14R1.441 C=CCc1cc(ccc1O[13CH3])C(=O)C 7a_200000038806_200025704644 [0,1,1,0,0,0|0,0,2]=4 1240 B14R1.441 CC=Cc1cc(ccc1OC)C(=O)C 271570a_100016259895_100000185153 [0,1,1,0,0,0|0,0,2]=4 1241 B14R1.676 CC(=O)c1ccc(c(c1)C=C(C)C)Br 271570a_100102525489_100010146556 [0,1,1,0,0,0|1,0,1]=4 1242 B14R1.676 CC(=O)c1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100011934287 [0,1,1,0,0,0|0,0,2]=4 1243 B14R1.676 CC(=O)c1ccc(c(c1)C=C(C)C)F 271570a_100102525489_100000239719 [0,1,1,0,0,0|1,0,1]=4 1244 B14R1.676 CC(=O)c1ccc(c(c1)C=C(C)C)N 271570a_100102525489_100012029215 [0,1,1,0,0,0|1,0,1]=4 1245 B14R1.676 CC(=O)c1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100011772453 [0,1,1,0,0,0|1,0,1]=4 1246 B14R1.758 C=CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100015514636 [0,1,1,0,0,0|0,0,2]=4 1247 B14R1.758 C=CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100015514636 [0,1,1,0,0,0|0,0,2]=4 1248 B14R1.758 C=CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100015514636 [0,1,1,0,0,0|1,0,1]=4 1249 B14R1.758 C=CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100015514636 [0,1,1,0,0,0|1,0,1]=4 1250 B14R1.758 C=CCSc1cc(ccc1Br)C(=O)C 62a_100000210623_100010146556 [0,1,1,0,0,0|1,0,1]=4 1251 B14R1.758 C=CCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000210623 [0,1,1,0,0,0|1,0,1]=4 1252 B14R1.758 C=CCSc1cc(ccc1C)C(=O)C 62a_100000210623_100011934287 [0,1,1,0,0,0|0,0,2]=4 1253 B14R1.758 C=CCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000210623 [0,1,1,0,0,0|0,0,2]=4 1254 B14R1.758 C=CCSc1cc(ccc1F)C(=O)C 62a_100000210623_100000239719 [0,1,1,0,0,0|1,0,1]=4 1255 B14R1.758 C=CCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000210623 [0,1,1,0,0,0|1,0,1]=4 1256 B14R1.758 C=CCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000210623 [0,1,1,0,0,0|1,0,1]=4 1257 B14R1.758 C=CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210623 [0,1,1,0,0,0|1,0,1]=4 1258 B14R1.3329 C=C=Cc1cc(c(cc1C)O)C(=O)C 271570a_100015277604_200010233951 [0,1,1,0,0,0|0,0,2]=4 1259 B14R1.3329 C=C=Cc1cc(c(cc1F)F)C(=O)C 271570a_100015277604_100009817148 [0,1,1,0,0,0|1,0,1]=4 1260 B14R1.3329 C=C=Cc1cc(c(cc1F)O)C(=O)C 271570a_100015277604_100000691652 [0,1,1,0,0,0|1,0,1]=4 1261 B14R1.3329 CC=Cc1cc(c(cc1C)O)C(=O)C 271570a_100016259895_200010233951 [0,1,1,0,0,0|0,0,2]=4 1262 B14R1.3329 CC=Cc1cc(c(cc1F)F)C(=O)C 271570a_100016259895_100009817148 [0,1,1,0,0,0|1,0,1]=4 1263 B14R1.3329 CC=Cc1cc(c(cc1F)O)C(=O)C 271570a_100016259895_100000691652 [0,1,1,0,0,0|1,0,1]=4 1264 B14R1.5389 C=C=Cc1c(ccc(c1F)C(=O)C)F 271570a_100015277604_100010179980 [0,1,1,0,0,0|1,0,1]=4 1265 B14R1.5389 CC=Cc1c(ccc(c1F)C(=O)C)F 271570a_100016259895_100010179980 [0,1,1,0,0,0|1,0,1]=4 1266 B14R1.536 CC(=O)/C(=C/c1ccc(cc1)Cl)/C#N 1458a_100016996005_200000210301 [0,1,1,0,0,0|1,0,1]=4 1267 B14R1.536 CC(=O)C(=Cc1ccc(cc1)F)C#N 1458a_100000162691_200000210301 [0,1,1,0,0,0|1,0,1]=4 1268 B14R1.536 CC(=O)C(=Cc1ccc(cc1)O)C#N 1458a_100000162680_200000210301 [0,1,1,0,0,0|1,0,1]=4 1269 B14R1.536 [13CH3]C(=O)/C(=C/c1ccc(cc1)Cl)/C#N 1458a_100016996005_200025704644 [0,1,1,0,0,0|1,0,1]=4 1270 B14R1.536 [13CH3]C(=O)C(=Cc1ccc(cc1)F)C#N 1458a_100000162691_200025704644 [0,1,1,0,0,0|1,0,1]=4 1271 B14R1.536 [13CH3]C(=O)C(=Cc1ccc(cc1)O)C#N 1458a_100000162680_200025704644 [0,1,1,0,0,0|1,0,1]=4 1272 B14R1.542 CC(=O)/C(=C/c1cccc(c1)O)/C#N 1458a_200020587497_200000210301 [0,1,1,0,0,0|1,0,1]=4 1273 B14R1.542 [13CH3]C(=O)/C(=C/c1cccc(c1)O)/C#N 1458a_200020587497_200025704644 [0,1,1,0,0,0|1,0,1]=4 1274 B14R1.980 C=CCN(Cc1ccccc1)C(=O)C 11a_100000196212_100015343762 [0,1,1,0,0,0|1,0,1]=4 1275 B14R1.980 C=CCN(Cc1ccccc1)C(=O)C 1626a_100000196212_100015343762 [0,1,1,0,0,0|1,0,1]=4 1276 B14R1.980 C=CCN(Cc1ccccc1)C(=O)C 240690a_100000196212_100015343762 [0,1,1,0,0,0|1,0,1]=4 1277 B14R1.980 C=CCN(Cc1ccccc1)C(=O)C 527a_100000196212_100103153847 [0,1,1,0,0,0|1,0,1]=4 1278 B14R1.1031 CCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210202 [0,1,1,0,0,0|1,0,1]=4 1279 B14R1.1031 CNC(=O)C(=Cc1ccccc1)C#N 527a_100102657272_100000162679 [0,1,1,0,0,0|1,0,1]=4 1280 B14R1.1031 N#CC(=Cc1ccccc1)C(=O)CF 1458a_100000162679_100015361967 [0,1,1,0,0,0|1,0,1]=4 1281 B14R1.127 C=CCOc1cc(cc(c1)C(=O)C)C 34a_100009855872_100015514636 [0,1,1,0,0,0|1,0,1]=4 1282 B14R1.127 C=CCOc1cc(cc(c1)C(=O)C)C 7a_100009855872_100015514636 [0,1,1,0,0,0|1,0,1]=4 1283 B14R1.127 C=CCSc1cc(cc(c1)C(=O)C)Br 62a_100000210623_100010005435 [0,1,1,0,0,0|1,0,1]=4 1284 B14R1.127 C=CCSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_100000210623 [0,1,1,0,0,0|1,0,1]=4 1285 B14R1.127 C=CCSc1cc(cc(c1)C(=O)C)C 62a_100000210623_100000694479 [0,1,1,0,0,0|1,0,1]=4 1286 B14R1.127 C=CCSc1cc(cc(c1)C(=O)C)C 62a_100000694479_100000210623 [0,1,1,0,0,0|1,0,1]=4 1287 B14R1.127 C=CCSc1cc(cc(c1)C(=O)C)F 62a_100000210623_100012361402 [0,1,1,0,0,0|1,0,1]=4 1288 B14R1.127 C=CCSc1cc(cc(c1)C(=O)C)F 62a_100012361402_100000210623 [0,1,1,0,0,0|1,0,1]=4 1289 B14R1.617 C=CCC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_100000210623 [0,1,1,0,0,0|1,0,1]=4 1290 B14R1.780 C=CCNc1cccc(c1)C(=O)NC 34a_100000185133_100015514636 [0,1,1,0,0,0|1,0,1]=4 1291 B14R1.780 C=CCOc1cccc(c1)C(=O)CBr 7a_100009813753_100015514636 [0,1,1,0,0,0|1,0,1]=4 1292 B14R1.780 C=CCOc1cccc(c1)C(=O)CC 1458a_200000217307_100000210202 [0,1,1,0,0,0|1,0,1]=4 1293 B14R1.780 C=CCOc1cccc(c1)C(=O)CC 34a_100011996911_100015514636 [0,1,1,0,0,0|1,0,1]=4 1294 B14R1.780 C=CCOc1cccc(c1)C(=O)CC 7a_100011996911_100015514636 [0,1,1,0,0,0|1,0,1]=4 1295 B14R1.780 C=CCOc1cccc(c1)C(=O)CF 1458a_200000217307_100015361967 [0,1,1,0,0,0|1,0,1]=4 1296 B14R1.780 C=CCOc1cccc(c1)C(=O)NC 11a_106832991635_200000217307 [0,1,1,0,0,0|1,0,1]=4 1297 B14R1.780 C=CCOc1cccc(c1)C(=O)NC 1626a_100102657272_200000217307 [0,1,1,0,0,0|1,0,1]=4 1298 B14R1.780 C=CCOc1cccc(c1)C(=O)NC 240690a_100102657272_200000217307 [0,1,1,0,0,0|1,0,1]=4 1299 B14R1.780 C=CCOc1cccc(c1)C(=O)NC 34a_100000159807_100015514636 [0,1,1,0,0,0|1,0,1]=4 1300 B14R1.780 C=CCOc1cccc(c1)C(=O)NC 527a_100102657272_200000217307 [0,1,1,0,0,0|1,0,1]=4 1301 B14R1.780 C=CCOc1cccc(c1)C(=O)NC 7a_100000159807_100015514636 [0,1,1,0,0,0|1,0,1]=4 1302 B14R1.780 C=CCOc1cccc(c1)C(=O)OC 34a_100000150331_100015514636 [0,1,1,0,0,0|1,0,1]=4 1303 B14R1.780 C=CCOc1cccc(c1)C(=O)OC 7a_100000150331_100015514636 [0,1,1,0,0,0|1,0,1]=4 1304 B14R1.780 C=CCSc1cccc(c1)C(=O)CC 62a_100000210623_100000211677 [0,1,1,0,0,0|1,0,1]=4 1305 B14R1.780 C=CCSc1cccc(c1)C(=O)CC 62a_100000211677_100000210623 [0,1,1,0,0,0|1,0,1]=4 1306 B14R1.780 C=CCSc1cccc(c1)C(=O)CN 62a_100000210623_100020587001 [0,1,1,0,0,0|1,0,1]=4 1307 B14R1.780 C=CCSc1cccc(c1)C(=O)CN 62a_100020587001_100000210623 [0,1,1,0,0,0|1,0,1]=4 1308 B14R1.780 C=CCSc1cccc(c1)C(=O)NC 62a_100000155082_100000210623 [0,1,1,0,0,0|1,0,1]=4 1309 B14R1.780 C=CCSc1cccc(c1)C(=O)NC 62a_100000210623_100000155082 [0,1,1,0,0,0|1,0,1]=4 1310 B14R1.780 C=CCSc1cccc(c1)C(=O)OC 62a_100000148848_100000210623 [0,1,1,0,0,0|1,0,1]=4 1311 B14R1.780 C=CCSc1cccc(c1)C(=O)OC 62a_100000210623_100000148848 [0,1,1,0,0,0|1,0,1]=4 1312 B14R1.783 C=CCOc1cccc(c1C)C(=O)C 34a_200009877264_100015514636 [0,1,1,0,0,0|1,0,1]=4 1313 B14R1.783 C=CCOc1cccc(c1C)C(=O)C 7a_200009877264_100015514636 [0,1,1,0,0,0|1,0,1]=4 1314 B14R1.783 C=CCOc1cccc(c1F)C(=O)C 34a_100009856408_100015514636 [0,1,1,0,0,0|1,0,1]=4 1315 B14R1.783 C=CCOc1cccc(c1F)C(=O)C 7a_100009856408_100015514636 [0,1,1,0,0,0|1,0,1]=4 1316 B14R1.783 C=CCOc1cccc(c1N)C(=O)C 7a_100000036053_100015514636 [0,1,1,0,0,0|1,0,1]=4 1317 B14R1.783 C=CCSc1cccc(c1C)C(=O)C 62a_100000210623_100012706834 [0,1,1,0,0,0|1,0,1]=4 1318 B14R1.783 C=CCSc1cccc(c1C)C(=O)C 62a_100012706834_100000210623 [0,1,1,0,0,0|1,0,1]=4 1319 B14R1.783 C=CCSc1cccc(c1F)C(=O)C 62a_100000210623_100012355707 [0,1,1,0,0,0|1,0,1]=4 1320 B14R1.783 C=CCSc1cccc(c1F)C(=O)C 62a_100012355707_100000210623 [0,1,1,0,0,0|1,0,1]=4 1321 B14R1.794 C=CCOc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_100015514636 [0,1,1,0,0,0|1,0,1]=4 1322 B14R1.794 C=CCOc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_100015514636 [0,1,1,0,0,0|1,0,1]=4 1323 B14R1.794 C=CCOc1ccc(c(c1)C(=O)C)F 34a_100000091700_100015514636 [0,1,1,0,0,0|1,0,1]=4 1324 B14R1.794 C=CCOc1ccc(c(c1)C(=O)C)F 7a_100000091700_100015514636 [0,1,1,0,0,0|1,0,1]=4 1325 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)C 62a_100012706819_100000210623 [0,1,1,0,0,0|1,0,1]=4 1326 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_100000210623 [0,1,1,0,0,0|1,0,1]=4 1327 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)F 62a_100000210623_100010254839 [0,1,1,0,0,0|1,0,1]=4 1328 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)F 62a_100000689017_100000210623 [0,1,1,0,0,0|1,0,1]=4 1329 B14R1.794 C=CCSc1ccc(c(c1)C(=O)C)N 62a_100000695420_100000210623 [0,1,1,0,0,0|1,0,1]=4 1330 B14R1.899 C/C=C/COc1cccc(c1)C(=O)C 34a_100000211620_100102629194 [0,1,1,0,0,0|0,0,2]=4 1331 B14R1.899 C/C=C/COc1cccc(c1)C(=O)C 7a_100000211620_100102629194 [0,1,1,0,0,0|0,0,2]=4 1332 B14R1.899 C/C=C/CSc1cccc(c1)C(=O)C 62a_100000210093_100102629194 [0,1,1,0,0,0|0,0,2]=4 1333 B14R1.899 C/C=C/CSc1cccc(c1)C(=O)C 62a_100102629194_100000210093 [0,1,1,0,0,0|0,0,2]=4 1334 B14R1.899 C=CCCOc1cccc(c1)C(=O)C 34a_100000211620_100000754431 [0,1,1,0,0,0|0,0,2]=4 1335 B14R1.899 C=CCCOc1cccc(c1)C(=O)C 7a_100000211620_100000754431 [0,1,1,0,0,0|0,0,2]=4 1336 B14R1.899 C=CCCSc1cccc(c1)C(=O)C 62a_100000210093_100000754431 [0,1,1,0,0,0|0,0,2]=4 1337 B14R1.899 C=CCCSc1cccc(c1)C(=O)C 62a_100000754431_100000210093 [0,1,1,0,0,0|0,0,2]=4 1338 B14R1.899 C=CCNCc1cccc(c1)C(=O)C 2230a_100020586998_100000084091 [0,1,1,0,0,0|0,0,2]=4 1339 B14R1.899 C=CCOCc1cccc(c1)C(=O)C 34a_200000210373_100000084091 [0,1,1,0,0,0|0,0,2]=4 1340 B14R1.899 C=CCSCc1cccc(c1)C(=O)C 62a_100000084091_100000210623 [0,1,1,0,0,0|0,0,2]=4 1341 B14R1.899 C=CCSCc1cccc(c1)C(=O)C 62a_100000210623_100000084091 [0,1,1,0,0,0|0,0,2]=4 1342 B14R1.899 CC=CCOc1cccc(c1)C(=O)C 34a_100000211620_100000070051 [0,1,1,0,0,0|0,0,2]=4 1343 B14R1.899 CC=CCOc1cccc(c1)C(=O)C 7a_100000211620_100000070051 [0,1,1,0,0,0|0,0,2]=4 1344 B14R1.899 CC=CCSc1cccc(c1)C(=O)C 62a_100000070051_100000210093 [0,1,1,0,0,0|0,0,2]=4 1345 B14R1.899 CC=CCSc1cccc(c1)C(=O)C 62a_100000210093_100000070051 [0,1,1,0,0,0|0,0,2]=4 1346 B14R1.899 CCCC=Cc1cccc(c1)C(=O)C 271570a_100016258520_100000210093 [0,1,1,0,0,0|0,0,2]=4 1347 B14R1.899 CCOC=Cc1cccc(c1)C(=O)C 271570a_100016256518_100000210093 [0,1,1,0,0,0|0,0,2]=4 1348 B14R1.899 COCC=Cc1cccc(c1)C(=O)C 271570a_100016286323_100000210093 [0,1,1,0,0,0|0,0,2]=4 1349 B14R1.3301 C=CC(=O)Cc1cccc(c1)C(=O)C 1458a_100000185746_100000084091 [0,1,1,0,0,0|0,0,1]=3 1350 B14R1.3301 C=CC(=O)Cc1cccc(c1)C(=O)N 1458a_100000185746_100000738444 [0,1,1,0,0,0|1,0,1]=4 1351 B14R1.3301 C=CC(=O)Nc1cccc(c1)C(=O)C 1458a_100011222665_200000210301 [0,1,1,0,0,0|1,0,0]=3 1352 B14R1.3301 C=CC(=O)Nc1cccc(c1)C(=O)N 1626a_100000217337_100000185746 [0,1,1,0,0,0|2,0,0]=4 1353 B14R1.3301 C=CC(=O)Nc1cccc(c1)C(=O)N 22a_100000217337_100000185746 [0,1,1,0,0,0|2,0,0]=4 1354 B14R1.3301 C=CC(=O)Nc1cccc(c1)C(=O)[13CH3] 1458a_100011222665_200025704644 [0,1,1,0,0,0|1,0,0]=3 1355 B14R1.3301 C=CC(C)Sc1cccc(c1)C(=O)C 62a_100011215867_100000210093 [0,1,1,0,0,0|1,0,1]=4 1356 B14R1.6355 C=C(C)COc1cccc(c1)C(=O)C 1458a_100000217156_200000210301 [0,1,1,0,0,0|1,0,1]=4 1357 B14R1.6355 C=C(C)COc1cccc(c1)C(=O)C 34a_100000211620_100000748629 [0,1,1,0,0,0|1,0,1]=4 1358 B14R1.6355 C=C(C)COc1cccc(c1)C(=O)C 7a_100000211620_100000748629 [0,1,1,0,0,0|1,0,1]=4 1359 B14R1.6355 C=C(C)COc1cccc(c1)C(=O)[13CH3] 1458a_100000217156_200025704644 [0,1,1,0,0,0|1,0,1]=4 1360 B14R1.6355 C=C(C)CSc1cccc(c1)C(=O)C 62a_100000210093_100000211660 [0,1,1,0,0,0|1,0,1]=4 1361 B14R1.6355 C=C(C)CSc1cccc(c1)C(=O)C 62a_100000748629_100000210093 [0,1,1,0,0,0|1,0,1]=4 1362 B14R1.6355 C=C(C)c1cccc(c1)/C=C/C(=O)C 271570a_100000694244_200016266566 [0,1,1,0,0,0|1,0,1]=4 1363 B14R1.6355 C=C(F)COc1cccc(c1)C(=O)C 34a_100000211620_100009893438 [0,1,1,0,0,0|1,0,1]=4 1364 B14R1.6355 C=C(F)COc1cccc(c1)C(=O)C 7a_100000211620_100000042424 [0,1,1,0,0,0|1,0,1]=4 1365 B14R1.6355 C=C(F)CSc1cccc(c1)C(=O)C 62a_100000042424_100000210093 [0,1,1,0,0,0|1,0,1]=4 1366 B14R1.6355 C=C(F)CSc1cccc(c1)C(=O)C 62a_100000210093_100000042424 [0,1,1,0,0,0|1,0,1]=4 1367 B14R1.6355 CC(=O)c1cccc(c1)/C=C/[N+](=O)[O-] 1458a_200016254063_200000210301 [0,1,1,0,0,0|2,0,0]=4 1368 B14R1.6355 CC(=O)c1cccc(c1)C=CC(C)C 271570a_100016257149_100000210093 [0,1,1,0,0,0|0,0,2]=4 1369 B14R1.6355 CC(=O)c1cccc(c1)C=CC(C)O 271570a_200011019289_100000210093 [0,1,1,0,0,0|0,0,2]=4 1370 B14R1.6355 [13CH3]C(=O)c1cccc(c1)/C=C/[N+](=O)[O-] 1458a_200016254063_200025704644 [0,1,1,0,0,0|2,0,0]=4 1371 B14R1.31 C=C(C)c1cc(ccc1OC)C(=O)C 271570a_100000694244_100000185153 [0,1,1,0,0,0|1,0,1]=4 1372 B14R1.43 C=C(C)c1ccc(cc1C#N)C(=O)C 271570a_100000694244_100010125495 [0,1,1,0,0,0|1,0,1]=4 1373 B14R1.43 C=C(C)c1ccc(cc1OC)C(=O)C 271570a_100000694244_100010110075 [0,1,1,0,0,0|1,0,1]=4 1374 B14R1.1851 C=Cc1cc(c(cc1OC)O)C(=O)C 271570a_100011290941_100009813116 [0,1,1,0,0,0|1,0,1]=4 1375 B14R1.1864 C=Cc1cc(ccc1C#N)C(=O)OC 271570a_100011290941_100009861381 [0,1,1,0,0,0|1,0,1]=4 1376 B14R1.1864 C=Cc1cc(ccc1C=O)C(=O)OC 271570a_100011290941_100012179231 [0,1,1,0,0,0|1,0,0]=3 1377 B14R1.1864 C=Cc1cc(ccc1CC)C(=O)OC 271570a_100011290941_200012360130 [0,1,1,0,0,0|0,0,2]=4 1378 B14R1.1864 C=Cc1cc(ccc1CO)C(=O)OC 271570a_100011290941_100012355398 [0,1,1,0,0,0|1,0,1]=4 1379 B14R1.1864 C=Cc1cc(ccc1OC)C(=O)OC 271570a_100011290941_100000189012 [0,1,1,0,0,0|1,0,1]=4 1380 B14R1.1864 C=Cc1ccc(cc1C#N)C(=O)OC 271570a_100011290941_100010150795 [0,1,1,0,0,0|1,0,1]=4 1381 B14R1.1864 C=Cc1ccc(cc1C=O)C(=O)OC 271570a_100011290941_100012274322 [0,1,1,0,0,0|1,0,0]=3 1382 B14R1.1864 C=Cc1ccc(cc1CO)C(=O)OC 271570a_100011290941_100010201863 [0,1,1,0,0,0|1,0,1]=4 1383 B14R1.1864 C=Cc1ccc(cc1OC)C(=O)OC 271570a_100011290941_100009816954 [0,1,1,0,0,0|1,0,1]=4 1384 B14R1.2023 C=Cc1c(ccc(c1N)C(=O)C)OC 271570a_100011290941_100010236346 [0,1,1,0,0,0|1,0,1]=4 1385 B14R1.3654 C=Cc1cc(ccc1C=O)S(=O)(=O)C 271570a_100011290941_200000036326 [0,1,1,0,0,0|2,0,0]=4 1386 B14R2.92 C=Cc1c[nH]c2ccccc2c1=O 271570a_100011290941_100012339567 [1,1,0,0,0,0|1,0,1]=4 1387 B14R2.92 C=Cc1ccc2ccccc2c1Br 271570a_100011290941_200010089984 [1,1,0,0,0,0|0,0,1]=3 1388 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [1,1,0,0,0,0|0,0,1]=3 1389 B14R2.92 C=Cc1ccc2ccccc2c1F 271570a_100011290941_100009832041 [1,1,0,0,0,0|0,0,1]=3 1390 B14R2.92 C=Cc1ccc2ccccc2c1N 271570a_100011290941_100009817101 [1,1,0,0,0,0|0,0,1]=3 1391 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [1,1,0,0,0,0|0,0,1]=3 1392 B14R2.92 C=Cc1ccc2cccnc2c1C 271570a_100011290941_100010214467 [1,1,0,0,0,0|1,0,1]=4 1393 B14R2.92 C=Cc1ccc2cccnc2c1F 271570a_100011290941_100010751467 [1,1,0,0,0,0|1,0,1]=4 1394 B14R2.92 C=Cc1ccc2cccnc2c1O 271570a_100011290941_100009816563 [1,1,0,0,0,0|1,0,1]=4 1395 B14R2.92 C=Cc1ccc2cnccc2c1N 271570a_100011290941_100010191621 [1,1,0,0,0,0|1,0,1]=4 1396 B14R2.92 C=Cc1ccc2ncccc2c1C 271570a_100011290941_200010137439 [1,1,0,0,0,0|1,0,1]=4 1397 B14R2.92 C=Cc1ccc2ncccc2c1N 271570a_100011290941_200010235790 [1,1,0,0,0,0|1,0,1]=4 1398 B14R2.92 C=Cc1cnc2ccccc2c1Cl 271570a_100011290941_100012352519 [1,1,0,0,0,0|1,0,1]=4 1399 B14R2.92 C=Cc1cnc2ccccc2c1N 271570a_100011290941_100009995562 [1,1,0,0,0,0|1,0,1]=4 1400 B14R2.92 C=Cc1coc2ccccc2c1=O 271570a_100011290941_100009813851 [1,1,0,0,0,0|1,0,1]=4 1401 B14R2.92 C=Cc1ncc2ccccc2c1N 271570a_100011290941_100000087573 [1,1,0,0,0,0|1,0,1]=4 1402 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [1,1,0,0,0,0|1,0,0]=3 1403 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [1,1,0,0,0,0|1,0,0]=3 1404 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [1,1,0,0,0,0|1,0,0]=3 1405 B14R2.92 CNc1ccc2cnccc2c1Cl 34a_100009851981_200000210301 [1,1,0,0,0,0|2,0,0]=4 1406 B14R2.92 CNc1ccc2ncccc2c1Br 34a_200009995563_200000210301 [1,1,0,0,0,0|2,0,0]=4 1407 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [1,1,0,0,0,0|1,0,0]=3 1408 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [1,1,0,0,0,0|1,0,0]=3 1409 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [1,1,0,0,0,0|1,0,0]=3 1410 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [1,1,0,0,0,0|1,0,0]=3 1411 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [1,1,0,0,0,0|1,0,0]=3 1412 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [1,1,0,0,0,0|1,0,0]=3 1413 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [1,1,0,0,0,0|1,0,0]=3 1414 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [1,1,0,0,0,0|1,0,0]=3 1415 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [1,1,0,0,0,0|1,0,0]=3 1416 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [1,1,0,0,0,0|1,0,0]=3 1417 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [1,1,0,0,0,0|1,0,0]=3 1418 B14R2.92 COc1ccc2cccnc2c1Br 34a_100010173343_200000210301 [1,1,0,0,0,0|2,0,0]=4 1419 B14R2.92 COc1ccc2cccnc2c1Br 7a_100010173343_200000210301 [1,1,0,0,0,0|2,0,0]=4 1420 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [1,1,0,0,0,0|2,0,0]=4 1421 B14R2.92 COc1ccc2ccncc2c1Br 34a_200010115057_200000210301 [1,1,0,0,0,0|2,0,0]=4 1422 B14R2.92 COc1ccc2ccncc2c1Br 7a_200010115057_200000210301 [1,1,0,0,0,0|2,0,0]=4 1423 B14R2.92 COc1ccc2cnccc2c1Cl 34a_100009824633_200000210301 [1,1,0,0,0,0|2,0,0]=4 1424 B14R2.92 COc1ccc2cnccc2c1Cl 7a_100009824633_200000210301 [1,1,0,0,0,0|2,0,0]=4 1425 B14R2.92 CSc1c[nH]c2ccccc2c1=O 62a_200000210301_100012348052 [1,1,0,0,0,0|2,0,0]=4 1426 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [1,1,0,0,0,0|1,0,0]=3 1427 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [1,1,0,0,0,0|1,0,0]=3 1428 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [1,1,0,0,0,0|1,0,0]=3 1429 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [1,1,0,0,0,0|1,0,0]=3 1430 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [1,1,0,0,0,0|1,0,0]=3 1431 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [1,1,0,0,0,0|1,0,0]=3 1432 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [1,1,0,0,0,0|1,0,0]=3 1433 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [1,1,0,0,0,0|1,0,0]=3 1434 B14R2.92 CSc1ccc2cccnc2c1C 62a_200000210301_100010214467 [1,1,0,0,0,0|2,0,0]=4 1435 B14R2.92 CSc1ccc2cccnc2c1F 62a_100010751467_200000210301 [1,1,0,0,0,0|2,0,0]=4 1436 B14R2.92 CSc1ccc2cccnc2c1F 62a_200000210301_100010751467 [1,1,0,0,0,0|2,0,0]=4 1437 B14R2.92 CSc1ccc2cccnc2c1O 62a_200000210301_100009816563 [1,1,0,0,0,0|2,0,0]=4 1438 B14R2.92 CSc1ccc2cnccc2c1N 62a_100010191621_200000210301 [1,1,0,0,0,0|2,0,0]=4 1439 B14R2.92 CSc1ccc2cnccc2c1N 62a_200000210301_100010191621 [1,1,0,0,0,0|2,0,0]=4 1440 B14R2.92 CSc1ccc2ncccc2c1C 62a_200000210301_200010137439 [1,1,0,0,0,0|2,0,0]=4 1441 B14R2.92 CSc1ccc2ncccc2c1C 62a_200010137439_200000210301 [1,1,0,0,0,0|2,0,0]=4 1442 B14R2.92 CSc1ccc2ncccc2c1N 62a_200010235790_200000210301 [1,1,0,0,0,0|2,0,0]=4 1443 B14R2.92 CSc1cnc2ccccc2c1Cl 62a_200000210301_100012352519 [1,1,0,0,0,0|2,0,0]=4 1444 B14R2.92 CSc1cnc2ccccc2c1N 62a_100009995562_200000210301 [1,1,0,0,0,0|2,0,0]=4 1445 B14R2.92 CSc1cnc2ccccc2c1N 62a_200000210301_100009995562 [1,1,0,0,0,0|2,0,0]=4 1446 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [1,1,0,0,0,0|2,0,0]=4 1447 B14R2.92 CSc1ncc2ccccc2c1N 62a_100009995564_200000210301 [1,1,0,0,0,0|2,0,0]=4 1448 B14R2.92 CSc1ncc2ccccc2c1N 62a_200000210301_100000087573 [1,1,0,0,0,0|2,0,0]=4 1449 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [1,1,0,0,0,0|1,0,0]=3 1450 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [1,1,0,0,0,0|1,0,0]=3 1451 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [1,1,0,0,0,0|1,0,0]=3 1452 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [1,1,0,0,0,0|1,0,0]=3 1453 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200010137439_200025704644 [1,1,0,0,0,0|2,0,0]=4 1454 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200025704644_200010137439 [1,1,0,0,0,0|2,0,0]=4 1455 B14R2.92 Cc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010214467 [1,1,0,0,0,0|2,0,0]=4 1456 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [1,1,0,0,0,0|0,0,0]=2 1457 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [1,1,0,0,0,0|1,0,0]=3 1458 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [1,1,0,0,0,0|1,0,0]=3 1459 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [1,1,0,0,0,0|1,0,0]=3 1460 B14R2.92 [13CH3]Nc1ccc2cnccc2c1Cl 34a_100009851981_200025704644 [1,1,0,0,0,0|2,0,0]=4 1461 B14R2.92 [13CH3]Nc1ccc2ncccc2c1Br 34a_200009995563_200025704644 [1,1,0,0,0,0|2,0,0]=4 1462 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [1,1,0,0,0,0|1,0,0]=3 1463 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [1,1,0,0,0,0|1,0,0]=3 1464 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [1,1,0,0,0,0|1,0,0]=3 1465 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [1,1,0,0,0,0|1,0,0]=3 1466 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [1,1,0,0,0,0|1,0,0]=3 1467 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [1,1,0,0,0,0|1,0,0]=3 1468 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [1,1,0,0,0,0|1,0,0]=3 1469 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [1,1,0,0,0,0|1,0,0]=3 1470 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 34a_100010173343_200025704644 [1,1,0,0,0,0|2,0,0]=4 1471 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 7a_100010173343_200025704644 [1,1,0,0,0,0|2,0,0]=4 1472 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 34a_200010115057_200025704644 [1,1,0,0,0,0|2,0,0]=4 1473 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 7a_200010115057_200025704644 [1,1,0,0,0,0|2,0,0]=4 1474 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 34a_100009824633_200025704644 [1,1,0,0,0,0|2,0,0]=4 1475 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 7a_100009824633_200025704644 [1,1,0,0,0,0|2,0,0]=4 1476 B14R2.92 [13CH3]Sc1c[nH]c2ccccc2c1=O 62a_200025704644_100012348052 [1,1,0,0,0,0|2,0,0]=4 1477 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [1,1,0,0,0,0|1,0,0]=3 1478 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [1,1,0,0,0,0|1,0,0]=3 1479 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [1,1,0,0,0,0|1,0,0]=3 1480 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [1,1,0,0,0,0|1,0,0]=3 1481 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [1,1,0,0,0,0|1,0,0]=3 1482 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [1,1,0,0,0,0|1,0,0]=3 1483 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_100010751467_200025704644 [1,1,0,0,0,0|2,0,0]=4 1484 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_200025704644_100010751467 [1,1,0,0,0,0|2,0,0]=4 1485 B14R2.92 [13CH3]Sc1ccc2cccnc2c1O 62a_200025704644_100009816563 [1,1,0,0,0,0|2,0,0]=4 1486 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_100010191621_200025704644 [1,1,0,0,0,0|2,0,0]=4 1487 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_200025704644_100010191621 [1,1,0,0,0,0|2,0,0]=4 1488 B14R2.92 [13CH3]Sc1ccc2ncccc2c1N 62a_200010235790_200025704644 [1,1,0,0,0,0|2,0,0]=4 1489 B14R2.92 [13CH3]Sc1cnc2ccccc2c1Cl 62a_200025704644_100012352519 [1,1,0,0,0,0|2,0,0]=4 1490 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_100009995562_200025704644 [1,1,0,0,0,0|2,0,0]=4 1491 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_200025704644_100009995562 [1,1,0,0,0,0|2,0,0]=4 1492 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [1,1,0,0,0,0|2,0,0]=4 1493 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_100009995564_200025704644 [1,1,0,0,0,0|2,0,0]=4 1494 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_200025704644_100000087573 [1,1,0,0,0,0|2,0,0]=4 1495 B14R2.112 C=C=Cc1cc2ccccc2cn1 271570a_100015277604_100000047361 [1,1,0,0,0,0|1,0,1]=4 1496 B14R2.112 C=C=Cc1ccc2ccccc2c1 271570a_100015277604_100000233703 [1,1,0,0,0,0|0,0,1]=3 1497 B14R2.112 C=C=Cc1ccc2ccccc2n1 271570a_100015277604_100011291633 [1,1,0,0,0,0|1,0,1]=4 1498 B14R2.112 C=C=Cc1ccc2cccnc2c1 271570a_100015277604_100009816655 [1,1,0,0,0,0|1,0,1]=4 1499 B14R2.112 C=C=Cc1ccc2ccncc2c1 271570a_100015277604_100000686496 [1,1,0,0,0,0|1,0,1]=4 1500 B14R2.112 C=C=Cc1ccc2cnccc2c1 271570a_100015277604_100009816743 [1,1,0,0,0,0|1,0,1]=4 1501 B14R2.112 C=C=Cc1ccc2ncccc2c1 271570a_100015277604_100000754243 [1,1,0,0,0,0|1,0,1]=4 1502 B14R2.112 C=C=Cc1cnc2ccccc2c1 271570a_100015277604_100000737414 [1,1,0,0,0,0|1,0,1]=4 1503 B14R2.112 CC=Cc1cc2ccccc2cn1 271570a_100016259895_100000047361 [1,1,0,0,0,0|1,0,0]=3 1504 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [1,1,0,0,0,0|0,0,0]=2 1505 B14R2.112 CC=Cc1ccc2ccccc2n1 271570a_100016259895_100011291633 [1,1,0,0,0,0|1,0,0]=3 1506 B14R2.112 CC=Cc1ccc2cccnc2c1 271570a_100016259895_100009816655 [1,1,0,0,0,0|1,0,0]=3 1507 B14R2.112 CC=Cc1ccc2cccnc2n1 271570a_100016259895_100009888989 [1,1,0,0,0,0|2,0,0]=4 1508 B14R2.112 CC=Cc1ccc2ccncc2c1 271570a_100016259895_100000686496 [1,1,0,0,0,0|1,0,0]=3 1509 B14R2.112 CC=Cc1ccc2ccncc2n1 271570a_100016259895_100000020162 [1,1,0,0,0,0|2,0,0]=4 1510 B14R2.112 CC=Cc1ccc2cnccc2c1 271570a_100016259895_100009816743 [1,1,0,0,0,0|1,0,0]=3 1511 B14R2.112 CC=Cc1ccc2cncnc2c1 271570a_100016259895_100010185614 [1,1,0,0,0,0|2,0,0]=4 1512 B14R2.112 CC=Cc1ccc2cnncc2c1 271570a_100016259895_100010198781 [1,1,0,0,0,0|2,0,0]=4 1513 B14R2.112 CC=Cc1ccc2ncccc2c1 271570a_100016259895_100000754243 [1,1,0,0,0,0|1,0,0]=3 1514 B14R2.112 CC=Cc1ccc2ncccc2n1 271570a_100016259895_100000073381 [1,1,0,0,0,0|2,0,0]=4 1515 B14R2.112 CC=Cc1ccc2nccnc2c1 271570a_100016259895_100011219451 [1,1,0,0,0,0|2,0,0]=4 1516 B14R2.112 CC=Cc1ccc2ncncc2c1 271570a_100016259895_100009989443 [1,1,0,0,0,0|2,0,0]=4 1517 B14R2.112 CC=Cc1ccc2nnccc2c1 271570a_100016259895_100010209549 [1,1,0,0,0,0|2,0,0]=4 1518 B14R2.112 CC=Cc1cnc2ccccc2c1 271570a_100016259895_100000737414 [1,1,0,0,0,0|1,0,0]=3 1519 B14R2.112 CC=Cc1cnc2ccccc2n1 271570a_100016259895_100000756483 [1,1,0,0,0,0|2,0,0]=4 1520 B14R2.112 CC=Cc1cnc2cccnc2c1 271570a_100016259895_100010246316 [1,1,0,0,0,0|2,0,0]=4 1521 B14R2.112 CC=Cc1ncc2ccccc2n1 271570a_100016259895_100000097389 [1,1,0,0,0,0|2,0,0]=4 1522 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [1,1,0,0,0,0|0,0,1]=3 1523 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [1,1,0,0,0,0|0,0,1]=3 1524 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [1,1,0,0,0,0|1,0,1]=4 1525 B14R2.112 CCNc1ccc2cccnc2c1 34a_100102887122_100000210202 [1,1,0,0,0,0|1,0,1]=4 1526 B14R2.112 CCNc1ccc2cnccc2c1 34a_100000039641_100000210202 [1,1,0,0,0,0|1,0,1]=4 1527 B14R2.112 CCNc1ccc2ncccc2c1 34a_100011198106_100000210202 [1,1,0,0,0,0|1,0,1]=4 1528 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [1,1,0,0,0,0|0,0,1]=3 1529 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [1,1,0,0,0,0|0,0,1]=3 1530 B14R2.112 CCOc1ccc2cccnc2c1 34a_100011216045_100000210202 [1,1,0,0,0,0|1,0,1]=4 1531 B14R2.112 CCOc1ccc2ccncc2c1 7a_100000752006_100000210202 [1,1,0,0,0,0|1,0,1]=4 1532 B14R2.112 CCOc1ccc2cnccc2c1 34a_100000046372_100000210202 [1,1,0,0,0,0|1,0,1]=4 1533 B14R2.112 CCOc1ccc2cnccc2c1 7a_100000046372_100000210202 [1,1,0,0,0,0|1,0,1]=4 1534 B14R2.112 CCOc1ccc2ncccc2c1 34a_100011215586_100000210202 [1,1,0,0,0,0|1,0,1]=4 1535 B14R2.112 CCOc1ccc2ncccc2c1 7a_100011215586_100000210202 [1,1,0,0,0,0|1,0,1]=4 1536 B14R2.112 CCOc1cnc2ccccc2c1 34a_100011934006_100000210202 [1,1,0,0,0,0|1,0,1]=4 1537 B14R2.112 CCOc1cnc2ccccc2c1 7a_100011934006_100000210202 [1,1,0,0,0,0|1,0,1]=4 1538 B14R2.112 CCSc1cc2ccccc2cn1 62a_100000210202_100000047361 [1,1,0,0,0,0|1,0,1]=4 1539 B14R2.112 CCSc1cc2ccccc2cn1 62a_100009816522_100000210202 [1,1,0,0,0,0|1,0,1]=4 1540 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [1,1,0,0,0,0|0,0,1]=3 1541 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [1,1,0,0,0,0|1,0,1]=4 1542 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [1,1,0,0,0,0|1,0,1]=4 1543 B14R2.112 CCSc1ccc2cccnc2c1 62a_100000210202_100009816655 [1,1,0,0,0,0|1,0,1]=4 1544 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000210202_100000686496 [1,1,0,0,0,0|1,0,1]=4 1545 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000686496_100000210202 [1,1,0,0,0,0|1,0,1]=4 1546 B14R2.112 CCSc1ccc2cnccc2c1 62a_100000210202_100009816743 [1,1,0,0,0,0|1,0,1]=4 1547 B14R2.112 CCSc1ccc2cnccc2c1 62a_100009816743_100000210202 [1,1,0,0,0,0|1,0,1]=4 1548 B14R2.112 CCSc1ccc2ncccc2c1 62a_100000210202_100011215947 [1,1,0,0,0,0|1,0,1]=4 1549 B14R2.112 CCSc1ccc2ncccc2c1 62a_100011215947_100000210202 [1,1,0,0,0,0|1,0,1]=4 1550 B14R2.112 CCSc1cnc2ccccc2c1 62a_100000210202_100000737414 [1,1,0,0,0,0|1,0,1]=4 1551 B14R2.112 CNCc1cc2ccccc2cn1 207a_100102657272_100000059776 [1,1,0,0,0,0|1,0,1]=4 1552 B14R2.112 CNCc1cc2ccccc2cn1 2230a_106832991635_100009869231 [1,1,0,0,0,0|1,0,1]=4 1553 B14R2.112 CNCc1cc2ccccc2cn1 270004a_106832991635_100000059776 [1,1,0,0,0,0|1,0,1]=4 1554 B14R2.112 CNCc1cc2ccccc2cn1 34a_100102657272_100009869231 [1,1,0,0,0,0|1,0,1]=4 1555 B14R2.112 CNCc1cc2ccccc2cn1 7a_106832991635_100009869231 [1,1,0,0,0,0|1,0,1]=4 1556 B14R2.112 CNCc1ccc2ccccc2c1 207a_100102657272_100000211584 [1,1,0,0,0,0|0,0,1]=3 1557 B14R2.112 CNCc1ccc2ccccc2c1 2230a_100000739491_200000210301 [1,1,0,0,0,0|0,0,1]=3 1558 B14R2.112 CNCc1ccc2ccccc2c1 2230a_106832991635_100011216711 [1,1,0,0,0,0|0,0,1]=3 1559 B14R2.112 CNCc1ccc2ccccc2c1 270004a_106832991635_100000211584 [1,1,0,0,0,0|0,0,1]=3 1560 B14R2.112 CNCc1ccc2ccccc2c1 34a_100000739491_200000210301 [1,1,0,0,0,0|0,0,1]=3 1561 B14R2.112 CNCc1ccc2ccccc2c1 34a_100102657272_100011216711 [1,1,0,0,0,0|0,0,1]=3 1562 B14R2.112 CNCc1ccc2ccccc2c1 7a_106832991635_100011216711 [1,1,0,0,0,0|0,0,1]=3 1563 B14R2.112 CNCc1ccc2ccccc2n1 207a_100102657272_100000759686 [1,1,0,0,0,0|1,0,1]=4 1564 B14R2.112 CNCc1ccc2ccccc2n1 2230a_106832991635_100000737579 [1,1,0,0,0,0|1,0,1]=4 1565 B14R2.112 CNCc1ccc2ccccc2n1 270004a_106832991635_100000759686 [1,1,0,0,0,0|1,0,1]=4 1566 B14R2.112 CNCc1ccc2ccccc2n1 34a_100102657272_100000737579 [1,1,0,0,0,0|1,0,1]=4 1567 B14R2.112 CNCc1ccc2ccccc2n1 7a_106832991635_100000737579 [1,1,0,0,0,0|1,0,1]=4 1568 B14R2.112 CNCc1ccc2cccnc2c1 207a_100102657272_100011784159 [1,1,0,0,0,0|1,0,1]=4 1569 B14R2.112 CNCc1ccc2cccnc2c1 270004a_106832991635_100011784159 [1,1,0,0,0,0|1,0,1]=4 1570 B14R2.112 CNCc1ccc2cnccc2c1 207a_100102657272_100000068276 [1,1,0,0,0,0|1,0,1]=4 1571 B14R2.112 CNCc1ccc2cnccc2c1 2230a_106832991635_100020605334 [1,1,0,0,0,0|1,0,1]=4 1572 B14R2.112 CNCc1ccc2cnccc2c1 270004a_106832991635_100000068276 [1,1,0,0,0,0|1,0,1]=4 1573 B14R2.112 CNCc1ccc2cnccc2c1 34a_100102657272_100020605334 [1,1,0,0,0,0|1,0,1]=4 1574 B14R2.112 CNCc1ccc2cnccc2c1 7a_106832991635_100020605334 [1,1,0,0,0,0|1,0,1]=4 1575 B14R2.112 CNCc1ccc2ncccc2c1 207a_100102657272_100000211315 [1,1,0,0,0,0|1,0,1]=4 1576 B14R2.112 CNCc1ccc2ncccc2c1 2230a_106832991635_100000703657 [1,1,0,0,0,0|1,0,1]=4 1577 B14R2.112 CNCc1ccc2ncccc2c1 270004a_106832991635_100000211315 [1,1,0,0,0,0|1,0,1]=4 1578 B14R2.112 CNCc1ccc2ncccc2c1 34a_100000238500_200000210301 [1,1,0,0,0,0|1,0,1]=4 1579 B14R2.112 CNCc1ccc2ncccc2c1 34a_100102657272_100000703657 [1,1,0,0,0,0|1,0,1]=4 1580 B14R2.112 CNCc1ccc2ncccc2c1 7a_106832991635_100000703657 [1,1,0,0,0,0|1,0,1]=4 1581 B14R2.112 CNCc1cnc2ccccc2c1 207a_100102657272_100000750898 [1,1,0,0,0,0|1,0,1]=4 1582 B14R2.112 CNCc1cnc2ccccc2c1 270004a_106832991635_100000750898 [1,1,0,0,0,0|1,0,1]=4 1583 B14R2.112 CNCc1cnc2ccccc2c1 34a_100000742225_200000210301 [1,1,0,0,0,0|1,0,1]=4 1584 B14R2.112 COCc1cc2ccccc2cn1 34a_100138415774_100009869231 [1,1,0,0,0,0|1,0,1]=4 1585 B14R2.112 COCc1ccc2ccccc2c1 34a_100011215330_200000210301 [1,1,0,0,0,0|0,0,1]=3 1586 B14R2.112 COCc1ccc2ccccc2c1 34a_100138415774_100011216711 [1,1,0,0,0,0|0,0,1]=3 1587 B14R2.112 COCc1ccc2ccccc2c1 7a_100011215330_200000210301 [1,1,0,0,0,0|0,0,1]=3 1588 B14R2.112 COCc1ccc2ccccc2n1 34a_100138415774_100000737579 [1,1,0,0,0,0|1,0,1]=4 1589 B14R2.112 COCc1ccc2cnccc2c1 34a_100138415774_100020605334 [1,1,0,0,0,0|1,0,1]=4 1590 B14R2.112 COCc1ccc2ncccc2c1 34a_100011315636_200000210301 [1,1,0,0,0,0|1,0,1]=4 1591 B14R2.112 COCc1ccc2ncccc2c1 34a_100138415774_100000703657 [1,1,0,0,0,0|1,0,1]=4 1592 B14R2.112 COCc1cnc2ccccc2c1 34a_100011258773_200000210301 [1,1,0,0,0,0|1,0,1]=4 1593 B14R2.112 CSCc1cc2ccccc2cn1 62a_100009869231_200000210301 [1,1,0,0,0,0|1,0,1]=4 1594 B14R2.112 CSCc1cc2ccccc2cn1 62a_200000210301_100009869231 [1,1,0,0,0,0|1,0,1]=4 1595 B14R2.112 CSCc1ccc2ccccc2c1 62a_100011216711_200000210301 [1,1,0,0,0,0|0,0,1]=3 1596 B14R2.112 CSCc1ccc2ccccc2c1 62a_200000210301_100011216711 [1,1,0,0,0,0|0,0,1]=3 1597 B14R2.112 CSCc1ccc2ccccc2n1 62a_100000737579_200000210301 [1,1,0,0,0,0|1,0,1]=4 1598 B14R2.112 CSCc1ccc2ccccc2n1 62a_200000210301_100000737579 [1,1,0,0,0,0|1,0,1]=4 1599 B14R2.112 CSCc1ccc2cnccc2c1 62a_100020605334_200000210301 [1,1,0,0,0,0|1,0,1]=4 1600 B14R2.112 CSCc1ccc2cnccc2c1 62a_200000210301_100020605334 [1,1,0,0,0,0|1,0,1]=4 1601 B14R2.112 CSCc1ccc2ncccc2c1 62a_100000703657_200000210301 [1,1,0,0,0,0|1,0,1]=4 1602 B14R2.112 CSCc1ccc2ncccc2c1 62a_200000210301_100000703657 [1,1,0,0,0,0|1,0,1]=4 1603 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [1,1,0,0,0,0|1,0,0]=3 1604 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [1,1,0,0,0,0|1,0,0]=3 1605 B14R2.112 FCNc1ccc2cccnc2c1 34a_100102887122_100015361967 [1,1,0,0,0,0|2,0,0]=4 1606 B14R2.112 FCNc1ccc2cnccc2c1 34a_100000039641_100015361967 [1,1,0,0,0,0|2,0,0]=4 1607 B14R2.112 FCNc1ccc2ncccc2c1 34a_100011198106_100015361967 [1,1,0,0,0,0|2,0,0]=4 1608 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [1,1,0,0,0,0|1,0,0]=3 1609 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [1,1,0,0,0,0|1,0,0]=3 1610 B14R2.112 FCOc1ccc2cccnc2c1 34a_100011216045_100015361967 [1,1,0,0,0,0|2,0,0]=4 1611 B14R2.112 FCOc1ccc2ccncc2c1 7a_100000752006_100015361967 [1,1,0,0,0,0|2,0,0]=4 1612 B14R2.112 FCOc1ccc2cnccc2c1 34a_100000046372_100015361967 [1,1,0,0,0,0|2,0,0]=4 1613 B14R2.112 FCOc1ccc2cnccc2c1 7a_100000046372_100015361967 [1,1,0,0,0,0|2,0,0]=4 1614 B14R2.112 FCOc1ccc2ncccc2c1 34a_100011215586_100015361967 [1,1,0,0,0,0|2,0,0]=4 1615 B14R2.112 FCOc1ccc2ncccc2c1 7a_100011215586_100015361967 [1,1,0,0,0,0|2,0,0]=4 1616 B14R2.112 FCOc1cnc2ccccc2c1 34a_100011934006_100015361967 [1,1,0,0,0,0|2,0,0]=4 1617 B14R2.112 FCOc1cnc2ccccc2c1 7a_100011934006_100015361967 [1,1,0,0,0,0|2,0,0]=4 1618 B14R2.112 FCSc1cc2ccccc2cn1 62a_100009816522_100015361967 [1,1,0,0,0,0|2,0,0]=4 1619 B14R2.112 FCSc1cc2ccccc2cn1 62a_100015361967_100000047361 [1,1,0,0,0,0|2,0,0]=4 1620 B14R2.112 FCSc1ccc2ccccc2c1 62a_100015361967_100000233703 [1,1,0,0,0,0|1,0,0]=3 1621 B14R2.112 FCSc1ccc2ccccc2n1 62a_100011291633_100015361967 [1,1,0,0,0,0|2,0,0]=4 1622 B14R2.112 FCSc1ccc2ccccc2n1 62a_100015361967_100011291633 [1,1,0,0,0,0|2,0,0]=4 1623 B14R2.112 FCSc1ccc2cccnc2c1 62a_100015361967_100009816655 [1,1,0,0,0,0|2,0,0]=4 1624 B14R2.112 FCSc1ccc2ccncc2c1 62a_100000686496_100015361967 [1,1,0,0,0,0|2,0,0]=4 1625 B14R2.112 FCSc1ccc2ccncc2c1 62a_100015361967_100000686496 [1,1,0,0,0,0|2,0,0]=4 1626 B14R2.112 FCSc1ccc2cnccc2c1 62a_100009816743_100015361967 [1,1,0,0,0,0|2,0,0]=4 1627 B14R2.112 FCSc1ccc2cnccc2c1 62a_100015361967_100009816743 [1,1,0,0,0,0|2,0,0]=4 1628 B14R2.112 FCSc1ccc2ncccc2c1 62a_100011215947_100015361967 [1,1,0,0,0,0|2,0,0]=4 1629 B14R2.112 FCSc1ccc2ncccc2c1 62a_100015361967_100011215947 [1,1,0,0,0,0|2,0,0]=4 1630 B14R2.112 FCSc1cnc2ccccc2c1 62a_100015361967_100000737414 [1,1,0,0,0,0|2,0,0]=4 1631 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 2230a_100000739491_200025704644 [1,1,0,0,0,0|0,0,1]=3 1632 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 34a_100000739491_200025704644 [1,1,0,0,0,0|0,0,1]=3 1633 B14R2.112 [13CH3]NCc1ccc2ncccc2c1 34a_100000238500_200025704644 [1,1,0,0,0,0|1,0,1]=4 1634 B14R2.112 [13CH3]NCc1cnc2ccccc2c1 34a_100000742225_200025704644 [1,1,0,0,0,0|1,0,1]=4 1635 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 34a_100011215330_200025704644 [1,1,0,0,0,0|0,0,1]=3 1636 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 7a_100011215330_200025704644 [1,1,0,0,0,0|0,0,1]=3 1637 B14R2.112 [13CH3]OCc1ccc2ncccc2c1 34a_100011315636_200025704644 [1,1,0,0,0,0|1,0,1]=4 1638 B14R2.112 [13CH3]OCc1cnc2ccccc2c1 34a_100011258773_200025704644 [1,1,0,0,0,0|1,0,1]=4 1639 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_100009869231_200025704644 [1,1,0,0,0,0|1,0,1]=4 1640 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_200025704644_100009869231 [1,1,0,0,0,0|1,0,1]=4 1641 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_100011216711_200025704644 [1,1,0,0,0,0|0,0,1]=3 1642 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_200025704644_100011216711 [1,1,0,0,0,0|0,0,1]=3 1643 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_100000737579_200025704644 [1,1,0,0,0,0|1,0,1]=4 1644 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_200025704644_100000737579 [1,1,0,0,0,0|1,0,1]=4 1645 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_100020605334_200025704644 [1,1,0,0,0,0|1,0,1]=4 1646 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_200025704644_100020605334 [1,1,0,0,0,0|1,0,1]=4 1647 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_100000703657_200025704644 [1,1,0,0,0,0|1,0,1]=4 1648 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_200025704644_100000703657 [1,1,0,0,0,0|1,0,1]=4 1649 B14R2.134 C=Cc1cc2cc(ccc2cn1)F 271570a_100011290941_100009828686 [1,1,0,0,0,0|1,0,1]=4 1650 B14R2.134 C=Cc1ccc2cc[n+](cc2c1)[O-] 271570a_100011290941_100009816120 [1,1,0,0,0,0|1,0,1]=4 1651 B14R2.134 C=Cc1ccc2ccc(=O)oc2c1 271570a_100011290941_100009993525 [1,1,0,0,0,0|1,0,1]=4 1652 B14R2.134 C=Cc1ccc2ccc(cc2c1)N 271570a_100011290941_100010090036 [1,1,0,0,0,0|0,0,1]=3 1653 B14R2.134 C=Cc1ccc2ccc(cc2c1)O 271570a_100011290941_100009816537 [1,1,0,0,0,0|0,0,1]=3 1654 B14R2.134 C=Cc1ccc2ccc(cc2n1)O 271570a_100011290941_100000079174 [1,1,0,0,0,0|1,0,1]=4 1655 B14R2.134 C=Cc1ccc2ccc(nc2c1)C 271570a_100011290941_100009817087 [1,1,0,0,0,0|1,0,1]=4 1656 B14R2.134 C=Cc1ccc2ccc(nc2c1)N 271570a_100011290941_100010187616 [1,1,0,0,0,0|1,0,1]=4 1657 B14R2.134 C=Cc1ccc2ccc(nc2c1)O 271570a_100011290941_100000690401 [1,1,0,0,0,0|1,0,1]=4 1658 B14R2.134 C=Cc1ccc2cnc(cc2c1)F 271570a_100011290941_100010291885 [1,1,0,0,0,0|1,0,1]=4 1659 B14R2.134 C=Cc1ccc2cnc(cc2c1)N 271570a_100011290941_100009817123 [1,1,0,0,0,0|1,0,1]=4 1660 B14R2.134 C=Cc1ccc2cnc(cc2c1)O 271570a_100011290941_100009817130 [1,1,0,0,0,0|1,0,1]=4 1661 B14R2.134 C=Cc1ccc2ncc(cc2c1)Br 271570a_100011290941_200010254249 [1,1,0,0,0,0|1,0,1]=4 1662 B14R2.134 C=Cc1ccc2ncc(cc2c1)C 271570a_100011290941_100009817055 [1,1,0,0,0,0|1,0,1]=4 1663 B14R2.134 C=Cc1ccc2ncc(cc2c1)O 271570a_100011290941_100000703654 [1,1,0,0,0,0|1,0,1]=4 1664 B14R2.134 C=Cc1cnc2ccc(cc2c1)Br 271570a_100011290941_100010740133 [1,1,0,0,0,0|1,0,1]=4 1665 B14R2.134 C=Cc1cnc2ccc(cc2c1)C 271570a_100011290941_100015841224 [1,1,0,0,0,0|1,0,1]=4 1666 B14R2.134 C=Cc1cnc2ccc(cc2c1)Cl 271570a_100011290941_100015929906 [1,1,0,0,0,0|1,0,1]=4 1667 B14R2.134 C=Cc1cnc2ccc(cc2c1)N 271570a_100011290941_100009888932 [1,1,0,0,0,0|1,0,1]=4 1668 B14R2.134 C=Cc1cnc2ccc(cc2c1)O 271570a_100011290941_100010137430 [1,1,0,0,0,0|1,0,1]=4 1669 B14R2.134 CNc1ccc2ccc(cc2c1)Br 34a_100010090036_200000210301 [1,1,0,0,0,0|1,0,0]=3 1670 B14R2.134 CNc1ccc2ccc(cc2c1)Br 7a_100010090036_200000210301 [1,1,0,0,0,0|1,0,0]=3 1671 B14R2.134 CNc1ccc2ccc(cc2c1)O 34a_100015378740_200000210301 [1,1,0,0,0,0|1,0,0]=3 1672 B14R2.134 CNc1ccc2ccc(cc2c1)O 7a_100015378740_200000210301 [1,1,0,0,0,0|1,0,0]=3 1673 B14R2.134 CNc1ccc2ncc(cc2c1)Br 34a_100009888932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1674 B14R2.134 COc1cc2cc(ccc2cn1)F 34a_200000101709_200000210301 [1,1,0,0,0,0|2,0,0]=4 1675 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [1,1,0,0,0,0|2,0,0]=4 1676 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [1,1,0,0,0,0|2,0,0]=4 1677 B14R2.134 COc1ccc2ccc(cc2c1)Br 34a_100009816537_200000210301 [1,1,0,0,0,0|1,0,0]=3 1678 B14R2.134 COc1ccc2ccc(cc2c1)Br 7a_100009816537_200000210301 [1,1,0,0,0,0|1,0,0]=3 1679 B14R2.134 COc1ccc2ccc(cc2c1)C 34a_100000091598_200000210301 [1,1,0,0,0,0|1,0,0]=3 1680 B14R2.134 COc1ccc2ccc(cc2c1)C 7a_100000091598_200000210301 [1,1,0,0,0,0|1,0,0]=3 1681 B14R2.134 COc1ccc2ccc(cc2c1)N 34a_100015378740_200000210301 [1,1,0,0,0,0|1,0,0]=3 1682 B14R2.134 COc1ccc2ccc(cc2c1)N 7a_100015378740_200000210301 [1,1,0,0,0,0|1,0,0]=3 1683 B14R2.134 COc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090027 [1,1,0,0,0,0|1,0,0]=3 1684 B14R2.134 COc1ccc2ccc(cc2n1)O 271570a_203496583355_100010248626 [1,1,0,0,0,0|2,0,0]=4 1685 B14R2.134 COc1ccc2ccc(nc2c1)C 34a_100009867695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1686 B14R2.134 COc1ccc2ccc(nc2c1)C 7a_100009867695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1687 B14R2.134 COc1ccc2ccc(nc2c1)Cl 34a_100000079174_200000210301 [1,1,0,0,0,0|2,0,0]=4 1688 B14R2.134 COc1ccc2ccc(nc2c1)Cl 7a_100000079174_200000210301 [1,1,0,0,0,0|2,0,0]=4 1689 B14R2.134 COc1ccc2ccc(nc2c1)O 271570a_203496583355_100009877240 [1,1,0,0,0,0|2,0,0]=4 1690 B14R2.134 COc1ccc2ncc(cc2c1)Br 34a_100010137430_200000210301 [1,1,0,0,0,0|2,0,0]=4 1691 B14R2.134 COc1ccc2ncc(cc2c1)Br 7a_100010137430_200000210301 [1,1,0,0,0,0|2,0,0]=4 1692 B14R2.134 COc1ccc2ncc(cc2c1)Cl 34a_100009869629_200000210301 [1,1,0,0,0,0|2,0,0]=4 1693 B14R2.134 COc1ccc2ncc(cc2c1)Cl 7a_100009869629_200000210301 [1,1,0,0,0,0|2,0,0]=4 1694 B14R2.134 COc1ccc2ncc(cc2c1)F 34a_100009845357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1695 B14R2.134 COc1ccc2ncc(cc2c1)F 7a_100009845357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1696 B14R2.134 COc1ccc2ncc(cc2c1)O 271570a_203496583355_100000700671 [1,1,0,0,0,0|2,0,0]=4 1697 B14R2.134 COc1cnc2ccc(cc2c1)Br 34a_100000703654_200000210301 [1,1,0,0,0,0|2,0,0]=4 1698 B14R2.134 COc1cnc2ccc(cc2c1)Br 7a_100000703654_200000210301 [1,1,0,0,0,0|2,0,0]=4 1699 B14R2.134 CSc1cc2cc(ccc2cn1)F 62a_100009828686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1700 B14R2.134 CSc1cc2cc(ccc2cn1)F 62a_200000210301_100009828686 [1,1,0,0,0,0|2,0,0]=4 1701 B14R2.134 CSc1ccc2cc[n+](cc2c1)[O-] 62a_200000210301_100009816120 [1,1,0,0,0,0|2,0,0]=4 1702 B14R2.134 CSc1ccc2ccc(=O)oc2c1 62a_200000210301_100009993525 [1,1,0,0,0,0|2,0,0]=4 1703 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_100010090036_200000210301 [1,1,0,0,0,0|1,0,0]=3 1704 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_200000210301_100010090036 [1,1,0,0,0,0|1,0,0]=3 1705 B14R2.134 CSc1ccc2ccc(cc2c1)O 62a_200000210301_100009816537 [1,1,0,0,0,0|1,0,0]=3 1706 B14R2.134 CSc1ccc2ccc(cc2n1)O 62a_200000210301_100000079174 [1,1,0,0,0,0|2,0,0]=4 1707 B14R2.134 CSc1ccc2ccc(nc2c1)C 62a_100009817087_200000210301 [1,1,0,0,0,0|2,0,0]=4 1708 B14R2.134 CSc1ccc2ccc(nc2c1)C 62a_200000210301_100009817087 [1,1,0,0,0,0|2,0,0]=4 1709 B14R2.134 CSc1ccc2ccc(nc2c1)N 62a_100010187616_200000210301 [1,1,0,0,0,0|2,0,0]=4 1710 B14R2.134 CSc1ccc2ccc(nc2c1)O 62a_200000210301_100000690401 [1,1,0,0,0,0|2,0,0]=4 1711 B14R2.134 CSc1ccc2cnc(cc2c1)F 62a_100010291885_200000210301 [1,1,0,0,0,0|2,0,0]=4 1712 B14R2.134 CSc1ccc2cnc(cc2c1)F 62a_200000210301_100010291885 [1,1,0,0,0,0|2,0,0]=4 1713 B14R2.134 CSc1ccc2cnc(cc2c1)N 62a_100009817123_200000210301 [1,1,0,0,0,0|2,0,0]=4 1714 B14R2.134 CSc1ccc2cnc(cc2c1)N 62a_200000210301_100009817123 [1,1,0,0,0,0|2,0,0]=4 1715 B14R2.134 CSc1ccc2cnc(cc2c1)O 62a_200000210301_100009817130 [1,1,0,0,0,0|2,0,0]=4 1716 B14R2.134 CSc1ccc2ncc(cc2c1)Br 62a_200000210301_200010254249 [1,1,0,0,0,0|2,0,0]=4 1717 B14R2.134 CSc1ccc2ncc(cc2c1)Br 62a_200010254249_200000210301 [1,1,0,0,0,0|2,0,0]=4 1718 B14R2.134 CSc1ccc2ncc(cc2c1)C 62a_200000210301_100009817055 [1,1,0,0,0,0|2,0,0]=4 1719 B14R2.134 CSc1ccc2ncc(cc2c1)O 62a_200000210301_100000703654 [1,1,0,0,0,0|2,0,0]=4 1720 B14R2.134 CSc1cnc2ccc(cc2c1)Br 62a_100010740133_200000210301 [1,1,0,0,0,0|2,0,0]=4 1721 B14R2.134 CSc1cnc2ccc(cc2c1)Br 62a_200000210301_100010740133 [1,1,0,0,0,0|2,0,0]=4 1722 B14R2.134 CSc1cnc2ccc(cc2c1)C 62a_200000210301_100015841224 [1,1,0,0,0,0|2,0,0]=4 1723 B14R2.134 CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1724 B14R2.134 CSc1cnc2ccc(cc2c1)Cl 62a_200000210301_100015929906 [1,1,0,0,0,0|2,0,0]=4 1725 B14R2.134 CSc1cnc2ccc(cc2c1)N 62a_100009888932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1726 B14R2.134 CSc1cnc2ccc(cc2c1)N 62a_200000210301_100009888932 [1,1,0,0,0,0|2,0,0]=4 1727 B14R2.134 CSc1cnc2ccc(cc2c1)O 62a_200000210301_100010137430 [1,1,0,0,0,0|2,0,0]=4 1728 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 34a_100000091598_200025704644 [1,1,0,0,0,0|1,0,0]=3 1729 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 7a_100000091598_200025704644 [1,1,0,0,0,0|1,0,0]=3 1730 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 34a_100009867695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1731 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 7a_100009867695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1732 B14R2.134 Cc1ccc2ccc(cc2n1)S[13CH3] 62a_100009817087_200025704644 [1,1,0,0,0,0|2,0,0]=4 1733 B14R2.134 Cc1ccc2ccc(cc2n1)S[13CH3] 62a_200025704644_100009817087 [1,1,0,0,0,0|2,0,0]=4 1734 B14R2.134 Cc1ccc2ncc(cc2c1)S[13CH3] 62a_200025704644_100015841224 [1,1,0,0,0,0|2,0,0]=4 1735 B14R2.134 Cc1cnc2ccc(cc2c1)S[13CH3] 62a_200025704644_100009817055 [1,1,0,0,0,0|2,0,0]=4 1736 B14R2.134 O=CC1=Cc2cc(ccc2OC1)O 271570a_203496583355_100000739462 [1,1,0,0,0,0|1,0,1]=4 1737 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [1,1,0,0,0,0|0,0,0]=2 1738 B14R2.134 O=Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100010174008 [1,1,0,0,0,0|1,0,0]=3 1739 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 34a_100010090036_200025704644 [1,1,0,0,0,0|1,0,0]=3 1740 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 7a_100010090036_200025704644 [1,1,0,0,0,0|1,0,0]=3 1741 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 34a_100015378740_200025704644 [1,1,0,0,0,0|1,0,0]=3 1742 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 7a_100015378740_200025704644 [1,1,0,0,0,0|1,0,0]=3 1743 B14R2.134 [13CH3]Nc1ccc2ncc(cc2c1)Br 34a_100009888932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1744 B14R2.134 [13CH3]Oc1cc2cc(ccc2cn1)F 34a_200000101709_200025704644 [1,1,0,0,0,0|2,0,0]=4 1745 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [1,1,0,0,0,0|2,0,0]=4 1746 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [1,1,0,0,0,0|2,0,0]=4 1747 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 34a_100009816537_200025704644 [1,1,0,0,0,0|1,0,0]=3 1748 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 7a_100009816537_200025704644 [1,1,0,0,0,0|1,0,0]=3 1749 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 34a_100015378740_200025704644 [1,1,0,0,0,0|1,0,0]=3 1750 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 7a_100015378740_200025704644 [1,1,0,0,0,0|1,0,0]=3 1751 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_200025704644 [1,1,0,0,0,0|2,0,0]=4 1752 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_200025704644 [1,1,0,0,0,0|2,0,0]=4 1753 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 34a_100010137430_200025704644 [1,1,0,0,0,0|2,0,0]=4 1754 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 7a_100010137430_200025704644 [1,1,0,0,0,0|2,0,0]=4 1755 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_200025704644 [1,1,0,0,0,0|2,0,0]=4 1756 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_200025704644 [1,1,0,0,0,0|2,0,0]=4 1757 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 34a_100009845357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1758 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 7a_100009845357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1759 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 34a_100000703654_200025704644 [1,1,0,0,0,0|2,0,0]=4 1760 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 7a_100000703654_200025704644 [1,1,0,0,0,0|2,0,0]=4 1761 B14R2.134 [13CH3]Sc1cc2cc(ccc2cn1)F 62a_100009828686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1762 B14R2.134 [13CH3]Sc1cc2cc(ccc2cn1)F 62a_200025704644_100009828686 [1,1,0,0,0,0|2,0,0]=4 1763 B14R2.134 [13CH3]Sc1ccc2cc[n+](cc2c1)[O-] 62a_200025704644_100009816120 [1,1,0,0,0,0|2,0,0]=4 1764 B14R2.134 [13CH3]Sc1ccc2ccc(=O)oc2c1 62a_200025704644_100009993525 [1,1,0,0,0,0|2,0,0]=4 1765 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_100010090036_200025704644 [1,1,0,0,0,0|1,0,0]=3 1766 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_200025704644_100010090036 [1,1,0,0,0,0|1,0,0]=3 1767 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)O 62a_200025704644_100009816537 [1,1,0,0,0,0|1,0,0]=3 1768 B14R2.134 [13CH3]Sc1ccc2ccc(cc2n1)O 62a_200025704644_100000079174 [1,1,0,0,0,0|2,0,0]=4 1769 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)N 62a_100010187616_200025704644 [1,1,0,0,0,0|2,0,0]=4 1770 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)O 62a_200025704644_100000690401 [1,1,0,0,0,0|2,0,0]=4 1771 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)F 62a_100010291885_200025704644 [1,1,0,0,0,0|2,0,0]=4 1772 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)F 62a_200025704644_100010291885 [1,1,0,0,0,0|2,0,0]=4 1773 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)N 62a_100009817123_200025704644 [1,1,0,0,0,0|2,0,0]=4 1774 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)N 62a_200025704644_100009817123 [1,1,0,0,0,0|2,0,0]=4 1775 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)O 62a_200025704644_100009817130 [1,1,0,0,0,0|2,0,0]=4 1776 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)Br 62a_200010254249_200025704644 [1,1,0,0,0,0|2,0,0]=4 1777 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)Br 62a_200025704644_200010254249 [1,1,0,0,0,0|2,0,0]=4 1778 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)O 62a_200025704644_100000703654 [1,1,0,0,0,0|2,0,0]=4 1779 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Br 62a_100010740133_200025704644 [1,1,0,0,0,0|2,0,0]=4 1780 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Br 62a_200025704644_100010740133 [1,1,0,0,0,0|2,0,0]=4 1781 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Cl 62a_100015929906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1782 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Cl 62a_200025704644_100015929906 [1,1,0,0,0,0|2,0,0]=4 1783 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)N 62a_100009888932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1784 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)N 62a_200025704644_100009888932 [1,1,0,0,0,0|2,0,0]=4 1785 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)O 62a_200025704644_100010137430 [1,1,0,0,0,0|2,0,0]=4 1786 B14R2.142 C=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100011290941_100000746092 [1,1,0,0,0,0|1,0,1]=4 1787 B14R2.142 C=Cc1ccc2cccc(c2c1)C 271570a_100011290941_100010089936 [1,1,0,0,0,0|0,0,1]=3 1788 B14R2.142 C=Cc1ccc2cccc(c2c1)N 271570a_100011290941_100010090012 [1,1,0,0,0,0|0,0,1]=3 1789 B14R2.142 C=Cc1ccc2cccc(c2c1)O 271570a_100011290941_100010089991 [1,1,0,0,0,0|0,0,1]=3 1790 B14R2.142 C=Cc1ccc2cccc(c2n1)C 271570a_100011290941_100012002297 [1,1,0,0,0,0|1,0,1]=4 1791 B14R2.142 C=Cc1ccc2cccc(c2n1)F 271570a_100011290941_100012017632 [1,1,0,0,0,0|1,0,1]=4 1792 B14R2.142 C=Cc1ccc2cccc(c2n1)O 271570a_100011290941_100010153751 [1,1,0,0,0,0|1,0,1]=4 1793 B14R2.142 C=Cc1ccc2ccnc(c2c1)C 271570a_100011290941_200010739692 [1,1,0,0,0,0|1,0,1]=4 1794 B14R2.142 C=Cc1ccc2ccnc(c2c1)N 271570a_100011290941_100012352255 [1,1,0,0,0,0|1,0,1]=4 1795 B14R2.142 C=Cc1ccc2ccnc(c2c1)O 271570a_100011290941_100000010956 [1,1,0,0,0,0|1,0,1]=4 1796 B14R2.142 C=Cc1ccc2cncc(c2c1)O 271570a_100011290941_100010136424 [1,1,0,0,0,0|1,0,1]=4 1797 B14R2.142 C=Cc1ccc2nccc(c2c1)C 271570a_100011290941_100009817033 [1,1,0,0,0,0|1,0,1]=4 1798 B14R2.142 C=Cc1ccc2nccc(c2c1)Cl 271570a_100011290941_100011310491 [1,1,0,0,0,0|1,0,1]=4 1799 B14R2.142 C=Cc1ccc2nccc(c2c1)N 271570a_100011290941_100011620571 [1,1,0,0,0,0|1,0,1]=4 1800 B14R2.142 C=Cc1ccc2occc(=O)c2c1 271570a_100011290941_100009813387 [1,1,0,0,0,0|1,0,1]=4 1801 B14R2.142 C=Cc1cnc2cccc(c2c1)N 271570a_100011290941_100010264086 [1,1,0,0,0,0|1,0,1]=4 1802 B14R2.142 C=Cc1cnc2cccc(c2c1)O 271570a_100011290941_200010153752 [1,1,0,0,0,0|1,0,1]=4 1803 B14R2.142 CNc1ccc2cccc(c2c1)O 34a_100132313934_200000210301 [1,1,0,0,0,0|1,0,0]=3 1804 B14R2.142 CNc1ccc2cccc(c2n1)C 27a_100102657272_100012002297 [1,1,0,0,0,0|2,0,0]=4 1805 B14R2.142 CNc1ccc2cccc(c2n1)O 27a_100102657272_100010153751 [1,1,0,0,0,0|2,0,0]=4 1806 B14R2.142 CNc1ccc2nccc(c2c1)Br 34a_100010074812_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B14R2.142 CNc1ccc2nccc(c2c1)Cl 34a_100009879071_200000210301 [1,1,0,0,0,0|2,0,0]=4 1808 B14R2.142 CNc1ccc2occc(=O)c2c1 34a_100000088200_200000210301 [1,1,0,0,0,0|2,0,0]=4 1809 B14R2.142 COc1cc2c(cccc2cn1)O 271570a_203496583355_100010126886 [1,1,0,0,0,0|2,0,0]=4 1810 B14R2.142 COc1ccc2cccc(c2c1)Br 34a_100010169565_200000210301 [1,1,0,0,0,0|1,0,0]=3 1811 B14R2.142 COc1ccc2cccc(c2c1)Br 7a_100010169565_200000210301 [1,1,0,0,0,0|1,0,0]=3 1812 B14R2.142 COc1ccc2cccc(c2c1)C 34a_200000091600_200000210301 [1,1,0,0,0,0|1,0,0]=3 1813 B14R2.142 COc1ccc2cccc(c2c1)C 7a_200000091600_200000210301 [1,1,0,0,0,0|1,0,0]=3 1814 B14R2.142 COc1ccc2cccc(c2c1)F 34a_100000091619_200000210301 [1,1,0,0,0,0|1,0,0]=3 1815 B14R2.142 COc1ccc2cccc(c2c1)F 7a_100000091619_200000210301 [1,1,0,0,0,0|1,0,0]=3 1816 B14R2.142 COc1ccc2cccc(c2c1)N 34a_100000034012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1817 B14R2.142 COc1ccc2cccc(c2c1)N 7a_100000034012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1818 B14R2.142 COc1ccc2cccc(c2c1)O 271570a_203496583355_100010178974 [1,1,0,0,0,0|1,0,0]=3 1819 B14R2.142 COc1ccc2ccnc(c2c1)Cl 34a_200009844553_200000210301 [1,1,0,0,0,0|2,0,0]=4 1820 B14R2.142 COc1ccc2ccnc(c2c1)Cl 7a_200009844553_200000210301 [1,1,0,0,0,0|2,0,0]=4 1821 B14R2.142 COc1ccc2ccnc(c2c1)O 271570a_203496583355_100012348807 [1,1,0,0,0,0|2,0,0]=4 1822 B14R2.142 COc1ccc2nccc(c2c1)Br 34a_100010204251_200000210301 [1,1,0,0,0,0|2,0,0]=4 1823 B14R2.142 COc1ccc2nccc(c2c1)Br 7a_100010204251_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B14R2.142 COc1ccc2nccc(c2c1)Cl 34a_100000075933_200000210301 [1,1,0,0,0,0|2,0,0]=4 1825 B14R2.142 COc1ccc2nccc(c2c1)Cl 7a_100000075933_200000210301 [1,1,0,0,0,0|2,0,0]=4 1826 B14R2.142 COc1ccc2nccc(c2c1)O 271570a_203496583355_100011310462 [1,1,0,0,0,0|2,0,0]=4 1827 B14R2.142 CSc1ccc2[nH]ccc(=O)c2c1 62a_200000210301_100000746092 [1,1,0,0,0,0|2,0,0]=4 1828 B14R2.142 CSc1ccc2cccc(c2c1)C 62a_200000210301_100010089936 [1,1,0,0,0,0|1,0,0]=3 1829 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_100010090012_200000210301 [1,1,0,0,0,0|1,0,0]=3 1830 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_200000210301_100010090012 [1,1,0,0,0,0|1,0,0]=3 1831 B14R2.142 CSc1ccc2cccc(c2c1)O 62a_200000210301_100010089991 [1,1,0,0,0,0|1,0,0]=3 1832 B14R2.142 CSc1ccc2cccc(c2n1)C 62a_200000210301_100012002297 [1,1,0,0,0,0|2,0,0]=4 1833 B14R2.142 CSc1ccc2cccc(c2n1)F 62a_200000210301_100012017632 [1,1,0,0,0,0|2,0,0]=4 1834 B14R2.142 CSc1ccc2cccc(c2n1)O 62a_200000210301_100000013812 [1,1,0,0,0,0|2,0,0]=4 1835 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200000210301_200010739692 [1,1,0,0,0,0|2,0,0]=4 1836 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200010739692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1837 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_100012352255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1838 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_200000210301_100012352255 [1,1,0,0,0,0|2,0,0]=4 1839 B14R2.142 CSc1ccc2ccnc(c2c1)O 62a_200000210301_100000010956 [1,1,0,0,0,0|2,0,0]=4 1840 B14R2.142 CSc1ccc2cncc(c2c1)O 62a_200000210301_100010136424 [1,1,0,0,0,0|2,0,0]=4 1841 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_100009817033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1842 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_200000210301_100009817033 [1,1,0,0,0,0|2,0,0]=4 1843 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_100011310491_200000210301 [1,1,0,0,0,0|2,0,0]=4 1844 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_200000210301_100011310491 [1,1,0,0,0,0|2,0,0]=4 1845 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_100011620571_200000210301 [1,1,0,0,0,0|2,0,0]=4 1846 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_200000210301_100011620571 [1,1,0,0,0,0|2,0,0]=4 1847 B14R2.142 CSc1ccc2occc(=O)c2c1 62a_200000210301_100009813387 [1,1,0,0,0,0|2,0,0]=4 1848 B14R2.142 CSc1cnc2cccc(c2c1)N 62a_100010264086_200000210301 [1,1,0,0,0,0|2,0,0]=4 1849 B14R2.142 CSc1cnc2cccc(c2c1)N 62a_200000210301_100010264086 [1,1,0,0,0,0|2,0,0]=4 1850 B14R2.142 CSc1cnc2cccc(c2c1)O 62a_200000210301_200010153752 [1,1,0,0,0,0|2,0,0]=4 1851 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 34a_200000091600_200025704644 [1,1,0,0,0,0|1,0,0]=3 1852 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 7a_200000091600_200025704644 [1,1,0,0,0,0|1,0,0]=3 1853 B14R2.142 Cc1cccc2c1cc(cc2)S[13CH3] 62a_200025704644_100010089936 [1,1,0,0,0,0|1,0,0]=3 1854 B14R2.142 Cc1cccc2c1nc(cc2)S[13CH3] 62a_200025704644_100012002297 [1,1,0,0,0,0|2,0,0]=4 1855 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_100009817033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1856 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_200025704644_100009817033 [1,1,0,0,0,0|2,0,0]=4 1857 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200010739692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1858 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200025704644_200010739692 [1,1,0,0,0,0|2,0,0]=4 1859 B14R2.142 O=Cc1ccc2ccnc(c2c1)O 271570a_203496583355_100000094387 [1,1,0,0,0,0|1,0,0]=3 1860 B14R2.142 [13CH3]Nc1ccc2cccc(c2c1)O 34a_100132313934_200025704644 [1,1,0,0,0,0|1,0,0]=3 1861 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Br 34a_100010074812_200025704644 [1,1,0,0,0,0|2,0,0]=4 1862 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Cl 34a_100009879071_200025704644 [1,1,0,0,0,0|2,0,0]=4 1863 B14R2.142 [13CH3]Nc1ccc2occc(=O)c2c1 34a_100000088200_200025704644 [1,1,0,0,0,0|2,0,0]=4 1864 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 34a_100010169565_200025704644 [1,1,0,0,0,0|1,0,0]=3 1865 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 7a_100010169565_200025704644 [1,1,0,0,0,0|1,0,0]=3 1866 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 34a_100000091619_200025704644 [1,1,0,0,0,0|1,0,0]=3 1867 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 7a_100000091619_200025704644 [1,1,0,0,0,0|1,0,0]=3 1868 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 34a_100000034012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1869 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 7a_100000034012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1870 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_200025704644 [1,1,0,0,0,0|2,0,0]=4 1871 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_200025704644 [1,1,0,0,0,0|2,0,0]=4 1872 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 34a_100010204251_200025704644 [1,1,0,0,0,0|2,0,0]=4 1873 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 7a_100010204251_200025704644 [1,1,0,0,0,0|2,0,0]=4 1874 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 34a_100000075933_200025704644 [1,1,0,0,0,0|2,0,0]=4 1875 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 7a_100000075933_200025704644 [1,1,0,0,0,0|2,0,0]=4 1876 B14R2.142 [13CH3]Sc1ccc2[nH]ccc(=O)c2c1 62a_200025704644_100000746092 [1,1,0,0,0,0|2,0,0]=4 1877 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_100010090012_200025704644 [1,1,0,0,0,0|1,0,0]=3 1878 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_200025704644_100010090012 [1,1,0,0,0,0|1,0,0]=3 1879 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)O 62a_200025704644_100010089991 [1,1,0,0,0,0|1,0,0]=3 1880 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)F 62a_200025704644_100012017632 [1,1,0,0,0,0|2,0,0]=4 1881 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)O 62a_200025704644_100000013812 [1,1,0,0,0,0|2,0,0]=4 1882 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_100012352255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1883 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_200025704644_100012352255 [1,1,0,0,0,0|2,0,0]=4 1884 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)O 62a_200025704644_100000010956 [1,1,0,0,0,0|2,0,0]=4 1885 B14R2.142 [13CH3]Sc1ccc2cncc(c2c1)O 62a_200025704644_100010136424 [1,1,0,0,0,0|2,0,0]=4 1886 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_100011310491_200025704644 [1,1,0,0,0,0|2,0,0]=4 1887 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_200025704644_100011310491 [1,1,0,0,0,0|2,0,0]=4 1888 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_100011620571_200025704644 [1,1,0,0,0,0|2,0,0]=4 1889 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_200025704644_100011620571 [1,1,0,0,0,0|2,0,0]=4 1890 B14R2.142 [13CH3]Sc1ccc2occc(=O)c2c1 62a_200025704644_100009813387 [1,1,0,0,0,0|2,0,0]=4 1891 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)N 62a_100010264086_200025704644 [1,1,0,0,0,0|2,0,0]=4 1892 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)N 62a_200025704644_100010264086 [1,1,0,0,0,0|2,0,0]=4 1893 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)O 62a_200025704644_200010153752 [1,1,0,0,0,0|2,0,0]=4 1894 B14R2.1019 C=Cc1cc(=O)c2ccccc2[nH]1 271570a_100011290941_100000090176 [1,1,0,0,0,0|1,0,1]=4 1895 B14R2.1019 C=Cc1cc(c2ccccc2c1)N 271570a_100011290941_100010171453 [1,1,0,0,0,0|0,0,1]=3 1896 B14R2.1019 C=Cc1cc(c2ccccc2c1)O 271570a_100011290941_100010089979 [1,1,0,0,0,0|0,0,1]=3 1897 B14R2.1019 C=Cc1cc(c2ccccc2n1)C 271570a_100011290941_100012354972 [1,1,0,0,0,0|1,0,1]=4 1898 B14R2.1019 C=Cc1cc(c2ccccc2n1)N 271570a_100011290941_100010197925 [1,1,0,0,0,0|1,0,1]=4 1899 B14R2.1019 C=Cc1cc(c2cccnc2c1)N 271570a_100011290941_200010263263 [1,1,0,0,0,0|1,0,1]=4 1900 B14R2.1019 C=Cc1cc(c2cnccc2c1)F 271570a_100011290941_100011068762 [1,1,0,0,0,0|1,0,1]=4 1901 B14R2.1019 C=Cc1cc(c2ncccc2c1)C 271570a_100011290941_100010130319 [1,1,0,0,0,0|1,0,1]=4 1902 B14R2.1019 C=Cc1cc(c2ncccc2c1)Cl 271570a_100011290941_200010369337 [1,1,0,0,0,0|1,0,1]=4 1903 B14R2.1019 C=Cc1cc(c2ncccc2c1)F 271570a_100011290941_100010234705 [1,1,0,0,0,0|1,0,1]=4 1904 B14R2.1019 C=Cc1cc(c2ncccc2c1)N 271570a_100011290941_100009814519 [1,1,0,0,0,0|1,0,1]=4 1905 B14R2.1019 C=Cc1cc(c2ncccc2c1)O 271570a_100011290941_100010248853 [1,1,0,0,0,0|1,0,1]=4 1906 B14R2.1019 C=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100011290941_200010000521 [1,1,0,0,0,0|1,0,1]=4 1907 B14R2.1019 C=Cc1cc2ccccc2c(n1)N 271570a_100011290941_100009957331 [1,1,0,0,0,0|1,0,1]=4 1908 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [1,1,0,0,0,0|1,0,0]=3 1909 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [1,1,0,0,0,0|1,0,0]=3 1910 B14R2.1019 CNc1cc(c2ccccc2n1)C 27a_100102657272_100000184993 [1,1,0,0,0,0|2,0,0]=4 1911 B14R2.1019 CNc1cc(c2cnccc2c1)F 27a_100102657272_100011068762 [1,1,0,0,0,0|2,0,0]=4 1912 B14R2.1019 CNc1cc(c2ncccc2c1)Cl 34a_200009830422_200000210301 [1,1,0,0,0,0|2,0,0]=4 1913 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [1,1,0,0,0,0|1,0,0]=3 1914 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [1,1,0,0,0,0|1,0,0]=3 1915 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [1,1,0,0,0,0|1,0,0]=3 1916 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [1,1,0,0,0,0|2,0,0]=4 1917 B14R2.1019 COc1cc(c2cccnc2c1)O 271570a_203496583355_100010248855 [1,1,0,0,0,0|2,0,0]=4 1918 B14R2.1019 COc1cc(c2cnccc2c1)Br 34a_100011009069_200000210301 [1,1,0,0,0,0|2,0,0]=4 1919 B14R2.1019 COc1cc(c2cnccc2c1)Br 7a_100011009069_200000210301 [1,1,0,0,0,0|2,0,0]=4 1920 B14R2.1019 COc1cc(c2ncccc2c1)Cl 34a_100000097192_200000210301 [1,1,0,0,0,0|2,0,0]=4 1921 B14R2.1019 COc1cc(c2ncccc2c1)Cl 7a_100000097192_200000210301 [1,1,0,0,0,0|2,0,0]=4 1922 B14R2.1019 COc1cc(c2ncccc2c1)F 34a_100009888031_200000210301 [1,1,0,0,0,0|2,0,0]=4 1923 B14R2.1019 COc1cc(c2ncccc2c1)F 7a_100009888031_200000210301 [1,1,0,0,0,0|2,0,0]=4 1924 B14R2.1019 COc1cc(c2ncccc2c1)N 34a_100000083691_200000210301 [1,1,0,0,0,0|2,0,0]=4 1925 B14R2.1019 COc1cc(c2ncccc2c1)O 271570a_203496583355_200010235761 [1,1,0,0,0,0|2,0,0]=4 1926 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [1,1,0,0,0,0|2,0,0]=4 1927 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [1,1,0,0,0,0|1,0,0]=3 1928 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [1,1,0,0,0,0|1,0,0]=3 1929 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [1,1,0,0,0,0|1,0,0]=3 1930 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_100012354972_200000210301 [1,1,0,0,0,0|2,0,0]=4 1931 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_200000210301_100000184993 [1,1,0,0,0,0|2,0,0]=4 1932 B14R2.1019 CSc1cc(c2ccccc2n1)N 62a_100010197925_200000210301 [1,1,0,0,0,0|2,0,0]=4 1933 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200000210301_200010263263 [1,1,0,0,0,0|2,0,0]=4 1934 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200010263263_200000210301 [1,1,0,0,0,0|2,0,0]=4 1935 B14R2.1019 CSc1cc(c2cnccc2c1)F 62a_100011068762_200000210301 [1,1,0,0,0,0|2,0,0]=4 1936 B14R2.1019 CSc1cc(c2cnccc2c1)F 62a_200000210301_100011068762 [1,1,0,0,0,0|2,0,0]=4 1937 B14R2.1019 CSc1cc(c2ncccc2c1)C 62a_200000210301_100010130319 [1,1,0,0,0,0|2,0,0]=4 1938 B14R2.1019 CSc1cc(c2ncccc2c1)Cl 62a_200000210301_200010369337 [1,1,0,0,0,0|2,0,0]=4 1939 B14R2.1019 CSc1cc(c2ncccc2c1)F 62a_100010234705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1940 B14R2.1019 CSc1cc(c2ncccc2c1)F 62a_200000210301_100010234705 [1,1,0,0,0,0|2,0,0]=4 1941 B14R2.1019 CSc1cc(c2ncccc2c1)N 62a_200000210301_100009814519 [1,1,0,0,0,0|2,0,0]=4 1942 B14R2.1019 CSc1cc(c2ncccc2c1)O 62a_200000210301_100010248853 [1,1,0,0,0,0|2,0,0]=4 1943 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [1,1,0,0,0,0|2,0,0]=4 1944 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_100009957331_200000210301 [1,1,0,0,0,0|2,0,0]=4 1945 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_200000210301_100009957331 [1,1,0,0,0,0|2,0,0]=4 1946 B14R2.1019 Cc1cc(cc2c1nccc2)S[13CH3] 62a_200025704644_100010130319 [1,1,0,0,0,0|2,0,0]=4 1947 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_100012354972_200025704644 [1,1,0,0,0,0|2,0,0]=4 1948 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000184993 [1,1,0,0,0,0|2,0,0]=4 1949 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [1,1,0,0,0,0|1,0,0]=3 1950 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [1,1,0,0,0,0|1,0,0]=3 1951 B14R2.1019 [13CH3]Nc1cc(c2ncccc2c1)Cl 34a_200009830422_200025704644 [1,1,0,0,0,0|2,0,0]=4 1952 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [1,1,0,0,0,0|1,0,0]=3 1953 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [1,1,0,0,0,0|1,0,0]=3 1954 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 34a_100011009069_200025704644 [1,1,0,0,0,0|2,0,0]=4 1955 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 7a_100011009069_200025704644 [1,1,0,0,0,0|2,0,0]=4 1956 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 34a_100000097192_200025704644 [1,1,0,0,0,0|2,0,0]=4 1957 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 7a_100000097192_200025704644 [1,1,0,0,0,0|2,0,0]=4 1958 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 34a_100009888031_200025704644 [1,1,0,0,0,0|2,0,0]=4 1959 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 7a_100009888031_200025704644 [1,1,0,0,0,0|2,0,0]=4 1960 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)N 34a_100000083691_200025704644 [1,1,0,0,0,0|2,0,0]=4 1961 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [1,1,0,0,0,0|2,0,0]=4 1962 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [1,1,0,0,0,0|1,0,0]=3 1963 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [1,1,0,0,0,0|1,0,0]=3 1964 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [1,1,0,0,0,0|1,0,0]=3 1965 B14R2.1019 [13CH3]Sc1cc(c2ccccc2n1)N 62a_100010197925_200025704644 [1,1,0,0,0,0|2,0,0]=4 1966 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200010263263_200025704644 [1,1,0,0,0,0|2,0,0]=4 1967 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200025704644_200010263263 [1,1,0,0,0,0|2,0,0]=4 1968 B14R2.1019 [13CH3]Sc1cc(c2cnccc2c1)F 62a_100011068762_200025704644 [1,1,0,0,0,0|2,0,0]=4 1969 B14R2.1019 [13CH3]Sc1cc(c2cnccc2c1)F 62a_200025704644_100011068762 [1,1,0,0,0,0|2,0,0]=4 1970 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)Cl 62a_200025704644_200010369337 [1,1,0,0,0,0|2,0,0]=4 1971 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)F 62a_100010234705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1972 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)F 62a_200025704644_100010234705 [1,1,0,0,0,0|2,0,0]=4 1973 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)N 62a_200025704644_100009814519 [1,1,0,0,0,0|2,0,0]=4 1974 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)O 62a_200025704644_100010248853 [1,1,0,0,0,0|2,0,0]=4 1975 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [1,1,0,0,0,0|2,0,0]=4 1976 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_100009957331_200025704644 [1,1,0,0,0,0|2,0,0]=4 1977 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_200025704644_100009957331 [1,1,0,0,0,0|2,0,0]=4 1978 B14R2.1128 C=Cc1cc2ccccc2cc1Br 271570a_100011290941_200010169544 [1,1,0,0,0,0|0,0,1]=3 1979 B14R2.1128 C=Cc1cc2ccccc2cc1Cl 271570a_100011290941_100010152806 [1,1,0,0,0,0|0,0,1]=3 1980 B14R2.1128 C=Cc1cc2ccccc2cc1N 271570a_100011290941_100009991566 [1,1,0,0,0,0|0,0,1]=3 1981 B14R2.1128 C=Cc1cc2ccccc2cc1O 271570a_100011290941_100009817189 [1,1,0,0,0,0|0,0,1]=3 1982 B14R2.1128 C=Cc1cc2ccccc2nc1Cl 271570a_100011290941_100010220712 [1,1,0,0,0,0|1,0,1]=4 1983 B14R2.1128 C=Cc1cc2ccccc2nc1F 271570a_100011290941_100011158909 [1,1,0,0,0,0|1,0,1]=4 1984 B14R2.1128 C=Cc1cc2ccccc2nc1N 271570a_100011290941_100010135404 [1,1,0,0,0,0|1,0,1]=4 1985 B14R2.1128 C=Cc1cc2ccccc2nc1O 271570a_100011290941_200009820883 [1,1,0,0,0,0|1,0,1]=4 1986 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [1,1,0,0,0,0|1,0,1]=4 1987 B14R2.1128 C=Cc1cc2cccnc2cc1C 271570a_100011290941_100010137429 [1,1,0,0,0,0|1,0,1]=4 1988 B14R2.1128 C=Cc1cc2cccnc2cc1F 271570a_100011290941_100009854028 [1,1,0,0,0,0|1,0,1]=4 1989 B14R2.1128 C=Cc1cc2ccncc2cc1F 271570a_100011290941_100011105921 [1,1,0,0,0,0|1,0,1]=4 1990 B14R2.1128 C=Cc1cc2cnccc2cc1F 271570a_100011290941_100010244713 [1,1,0,0,0,0|1,0,1]=4 1991 B14R2.1128 C=Cc1cc2ncccc2cc1O 271570a_100011290941_200010153759 [1,1,0,0,0,0|1,0,1]=4 1992 B14R2.1128 C=Cc1nc2ccccc2cc1Br 271570a_100011290941_100010072790 [1,1,0,0,0,0|1,0,1]=4 1993 B14R2.1128 C=Cc1nc2ccccc2cc1C 271570a_100011290941_100000751756 [1,1,0,0,0,0|1,0,1]=4 1994 B14R2.1128 C=Cc1nc2ccccc2cc1O 271570a_100011290941_200000100762 [1,1,0,0,0,0|1,0,1]=4 1995 B14R2.1128 CCc1cc2ccccc2nc1O 271570a_203496583355_100011829826 [1,1,0,0,0,0|1,0,1]=4 1996 B14R2.1128 CNc1cc2ccccc2cc1Br 34a_100009991566_200000210301 [1,1,0,0,0,0|1,0,0]=3 1997 B14R2.1128 CNc1cc2ccccc2cc1Br 7a_100009991566_200000210301 [1,1,0,0,0,0|1,0,0]=3 1998 B14R2.1128 CNc1nc2ccccc2cc1C 27a_100102657272_100000751756 [1,1,0,0,0,0|2,0,0]=4 1999 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [1,1,0,0,0,0|1,0,0]=3 2000 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [1,1,0,0,0,0|1,0,0]=3 2001 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [1,1,0,0,0,0|1,0,0]=3 2002 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [1,1,0,0,0,0|1,0,0]=3 2003 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [1,1,0,0,0,0|1,0,0]=3 2004 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [1,1,0,0,0,0|1,0,0]=3 2005 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [1,1,0,0,0,0|1,0,0]=3 2006 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [1,1,0,0,0,0|2,0,0]=4 2007 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [1,1,0,0,0,0|2,0,0]=4 2008 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [1,1,0,0,0,0|2,0,0]=4 2009 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [1,1,0,0,0,0|2,0,0]=4 2010 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [1,1,0,0,0,0|2,0,0]=4 2011 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [1,1,0,0,0,0|2,0,0]=4 2012 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [1,1,0,0,0,0|2,0,0]=4 2013 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [1,1,0,0,0,0|2,0,0]=4 2014 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [1,1,0,0,0,0|2,0,0]=4 2015 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [1,1,0,0,0,0|2,0,0]=4 2016 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [1,1,0,0,0,0|2,0,0]=4 2017 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200000210301_200010169544 [1,1,0,0,0,0|1,0,0]=3 2018 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200010169544_200000210301 [1,1,0,0,0,0|1,0,0]=3 2019 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_100010152806_200000210301 [1,1,0,0,0,0|1,0,0]=3 2020 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_200000210301_100010152806 [1,1,0,0,0,0|1,0,0]=3 2021 B14R2.1128 CSc1cc2ccccc2cc1N 62a_100009991566_200000210301 [1,1,0,0,0,0|1,0,0]=3 2022 B14R2.1128 CSc1cc2ccccc2cc1N 62a_200000210301_100009991566 [1,1,0,0,0,0|1,0,0]=3 2023 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [1,1,0,0,0,0|1,0,0]=3 2024 B14R2.1128 CSc1cc2ccccc2nc1Cl 62a_200000210301_100010220712 [1,1,0,0,0,0|2,0,0]=4 2025 B14R2.1128 CSc1cc2ccccc2nc1F 62a_100011158909_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B14R2.1128 CSc1cc2ccccc2nc1F 62a_200000210301_100011158909 [1,1,0,0,0,0|2,0,0]=4 2027 B14R2.1128 CSc1cc2ccccc2nc1N 62a_100010135404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2028 B14R2.1128 CSc1cc2ccccc2nc1O 62a_200000210301_200009820883 [1,1,0,0,0,0|2,0,0]=4 2029 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [1,1,0,0,0,0|2,0,0]=4 2030 B14R2.1128 CSc1cc2cccnc2cc1C 62a_100010137429_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B14R2.1128 CSc1cc2cccnc2cc1C 62a_200000210301_100010137429 [1,1,0,0,0,0|2,0,0]=4 2032 B14R2.1128 CSc1cc2cccnc2cc1F 62a_100009854028_200000210301 [1,1,0,0,0,0|2,0,0]=4 2033 B14R2.1128 CSc1cc2cccnc2cc1F 62a_200000210301_100009854028 [1,1,0,0,0,0|2,0,0]=4 2034 B14R2.1128 CSc1cc2ccncc2cc1F 62a_100011105921_200000210301 [1,1,0,0,0,0|2,0,0]=4 2035 B14R2.1128 CSc1cc2ccncc2cc1F 62a_200000210301_100011105921 [1,1,0,0,0,0|2,0,0]=4 2036 B14R2.1128 CSc1cc2cnccc2cc1F 62a_100010244713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2037 B14R2.1128 CSc1cc2cnccc2cc1F 62a_200000210301_100010244713 [1,1,0,0,0,0|2,0,0]=4 2038 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [1,1,0,0,0,0|2,0,0]=4 2039 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_100010072790_200000210301 [1,1,0,0,0,0|2,0,0]=4 2040 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_200000210301_100010072790 [1,1,0,0,0,0|2,0,0]=4 2041 B14R2.1128 CSc1nc2ccccc2cc1C 62a_200000210301_100000751756 [1,1,0,0,0,0|2,0,0]=4 2042 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [1,1,0,0,0,0|2,0,0]=4 2043 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [1,1,0,0,0,0|1,0,0]=3 2044 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [1,1,0,0,0,0|1,0,0]=3 2045 B14R2.1128 Cc1cc2ccccc2nc1S[13CH3] 62a_200025704644_100000751756 [1,1,0,0,0,0|2,0,0]=4 2046 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_100010137429_200025704644 [1,1,0,0,0,0|2,0,0]=4 2047 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_200025704644_100010137429 [1,1,0,0,0,0|2,0,0]=4 2048 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [1,1,0,0,0,0|2,0,0]=4 2049 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [1,1,0,0,0,0|2,0,0]=4 2050 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [1,1,0,0,0,0|1,0,0]=3 2051 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 34a_100009991566_200025704644 [1,1,0,0,0,0|1,0,0]=3 2052 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 7a_100009991566_200025704644 [1,1,0,0,0,0|1,0,0]=3 2053 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [1,1,0,0,0,0|1,0,0]=3 2054 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [1,1,0,0,0,0|1,0,0]=3 2055 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [1,1,0,0,0,0|1,0,0]=3 2056 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [1,1,0,0,0,0|1,0,0]=3 2057 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [1,1,0,0,0,0|2,0,0]=4 2058 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [1,1,0,0,0,0|2,0,0]=4 2059 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [1,1,0,0,0,0|2,0,0]=4 2060 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [1,1,0,0,0,0|2,0,0]=4 2061 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [1,1,0,0,0,0|2,0,0]=4 2062 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200010169544_200025704644 [1,1,0,0,0,0|1,0,0]=3 2063 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200025704644_200010169544 [1,1,0,0,0,0|1,0,0]=3 2064 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_100010152806_200025704644 [1,1,0,0,0,0|1,0,0]=3 2065 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_200025704644_100010152806 [1,1,0,0,0,0|1,0,0]=3 2066 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_100009991566_200025704644 [1,1,0,0,0,0|1,0,0]=3 2067 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_200025704644_100009991566 [1,1,0,0,0,0|1,0,0]=3 2068 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [1,1,0,0,0,0|1,0,0]=3 2069 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1Cl 62a_200025704644_100010220712 [1,1,0,0,0,0|2,0,0]=4 2070 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_100011158909_200025704644 [1,1,0,0,0,0|2,0,0]=4 2071 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_200025704644_100011158909 [1,1,0,0,0,0|2,0,0]=4 2072 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1N 62a_100010135404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2073 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1O 62a_200025704644_200009820883 [1,1,0,0,0,0|2,0,0]=4 2074 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [1,1,0,0,0,0|2,0,0]=4 2075 B14R2.1128 [13CH3]Sc1cc2cccnc2cc1F 62a_100009854028_200025704644 [1,1,0,0,0,0|2,0,0]=4 2076 B14R2.1128 [13CH3]Sc1cc2cccnc2cc1F 62a_200025704644_100009854028 [1,1,0,0,0,0|2,0,0]=4 2077 B14R2.1128 [13CH3]Sc1cc2ccncc2cc1F 62a_100011105921_200025704644 [1,1,0,0,0,0|2,0,0]=4 2078 B14R2.1128 [13CH3]Sc1cc2ccncc2cc1F 62a_200025704644_100011105921 [1,1,0,0,0,0|2,0,0]=4 2079 B14R2.1128 [13CH3]Sc1cc2cnccc2cc1F 62a_100010244713_200025704644 [1,1,0,0,0,0|2,0,0]=4 2080 B14R2.1128 [13CH3]Sc1cc2cnccc2cc1F 62a_200025704644_100010244713 [1,1,0,0,0,0|2,0,0]=4 2081 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [1,1,0,0,0,0|2,0,0]=4 2082 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_100010072790_200025704644 [1,1,0,0,0,0|2,0,0]=4 2083 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_200025704644_100010072790 [1,1,0,0,0,0|2,0,0]=4 2084 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [1,1,0,0,0,0|2,0,0]=4 2085 B14R2.1801 C=Cc1ccc2c(=O)ccoc2c1 271570a_100011290941_100010062221 [1,1,0,0,0,0|1,0,1]=4 2086 B14R2.1801 C=Cc1ccc2c(cccc2c1)N 271570a_100011290941_100010090037 [1,1,0,0,0,0|0,0,1]=3 2087 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [1,1,0,0,0,0|0,0,1]=3 2088 B14R2.1801 C=Cc1ccc2c(ccnc2c1)C 271570a_100011290941_100010132309 [1,1,0,0,0,0|1,0,1]=4 2089 B14R2.1801 C=Cc1ccc2c(ccnc2c1)Cl 271570a_100011290941_100009996786 [1,1,0,0,0,0|1,0,1]=4 2090 B14R2.1801 C=Cc1ccc2c(ccnc2c1)N 271570a_100011290941_200009816820 [1,1,0,0,0,0|1,0,1]=4 2091 B14R2.1801 C=Cc1ccc2c(ccnc2c1)O 271570a_100011290941_100000756855 [1,1,0,0,0,0|1,0,1]=4 2092 B14R2.1801 C=Cc1ccc2c(nccc2c1)N 271570a_100011290941_100000732483 [1,1,0,0,0,0|1,0,1]=4 2093 B14R2.1801 C=Cc1ccc2c(nccc2c1)O 271570a_100011290941_100000760485 [1,1,0,0,0,0|1,0,1]=4 2094 B14R2.1801 C=Cc1cnc2c(cccc2c1)Br 271570a_100011290941_100010204298 [1,1,0,0,0,0|1,0,1]=4 2095 B14R2.1801 C=Cc1cnc2c(cccc2c1)C 271570a_100011290941_100009829671 [1,1,0,0,0,0|1,0,1]=4 2096 B14R2.1801 C=Cc1cnc2c(cccc2c1)Cl 271570a_100011290941_100000759377 [1,1,0,0,0,0|1,0,1]=4 2097 B14R2.1801 C=Cc1cnc2c(cccc2c1)F 271570a_100011290941_100000049890 [1,1,0,0,0,0|1,0,1]=4 2098 B14R2.1801 C=Cc1cnc2c(cccc2c1)N 271570a_100011290941_100000702407 [1,1,0,0,0,0|1,0,1]=4 2099 B14R2.1801 CNc1ccc2c(cccc2c1)O 34a_100000035793_200000210301 [1,1,0,0,0,0|1,0,0]=3 2100 B14R2.1801 CNc1ccc2c(cccc2c1)O 7a_100000035793_200000210301 [1,1,0,0,0,0|1,0,0]=3 2101 B14R2.1801 CNc1ccc2c(ccnc2c1)Cl 27a_100102657272_100009996786 [1,1,0,0,0,0|2,0,0]=4 2102 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2103 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2104 B14R2.1801 COc1ccc2c(=O)ccoc2c1 34a_200000065989_200000210301 [1,1,0,0,0,0|2,0,0]=4 2105 B14R2.1801 COc1ccc2c(=O)ccoc2c1 7a_200000065989_200000210301 [1,1,0,0,0,0|2,0,0]=4 2106 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [1,1,0,0,0,0|1,0,0]=3 2107 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [1,1,0,0,0,0|1,0,0]=3 2108 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [1,1,0,0,0,0|1,0,0]=3 2109 B14R2.1801 COc1ccc2c(ccnc2c1)Br 34a_100010204257_200000210301 [1,1,0,0,0,0|2,0,0]=4 2110 B14R2.1801 COc1ccc2c(ccnc2c1)Br 7a_100010204257_200000210301 [1,1,0,0,0,0|2,0,0]=4 2111 B14R2.1801 COc1ccc2c(ccnc2c1)C 34a_200009854145_200000210301 [1,1,0,0,0,0|2,0,0]=4 2112 B14R2.1801 COc1ccc2c(ccnc2c1)C 7a_200009854145_200000210301 [1,1,0,0,0,0|2,0,0]=4 2113 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 34a_100000045489_200000210301 [1,1,0,0,0,0|2,0,0]=4 2114 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 7a_100000045489_200000210301 [1,1,0,0,0,0|2,0,0]=4 2115 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [1,1,0,0,0,0|2,0,0]=4 2116 B14R2.1801 COc1ccc2c(nccc2c1)Cl 34a_100009867704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2117 B14R2.1801 COc1ccc2c(nccc2c1)Cl 7a_100009867704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2118 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [1,1,0,0,0,0|2,0,0]=4 2119 B14R2.1801 COc1cnc2c(cccc2c1)F 34a_100012184956_200000210301 [1,1,0,0,0,0|2,0,0]=4 2120 B14R2.1801 COc1cnc2c(cccc2c1)F 7a_100012184956_200000210301 [1,1,0,0,0,0|2,0,0]=4 2121 B14R2.1801 CSc1ccc2c(=O)ccoc2c1 62a_200000210301_100010062221 [1,1,0,0,0,0|2,0,0]=4 2122 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_100010090037_200000210301 [1,1,0,0,0,0|1,0,0]=3 2123 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_200000210301_100010090037 [1,1,0,0,0,0|1,0,0]=3 2124 B14R2.1801 CSc1ccc2c(cccc2c1)O 62a_200000210301_100010202202 [1,1,0,0,0,0|1,0,0]=3 2125 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_100010132309_200000210301 [1,1,0,0,0,0|2,0,0]=4 2126 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_200000210301_100010132309 [1,1,0,0,0,0|2,0,0]=4 2127 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_200000210301 [1,1,0,0,0,0|2,0,0]=4 2128 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_200000210301_100009996786 [1,1,0,0,0,0|2,0,0]=4 2129 B14R2.1801 CSc1ccc2c(ccnc2c1)N 62a_200009816820_200000210301 [1,1,0,0,0,0|2,0,0]=4 2130 B14R2.1801 CSc1ccc2c(ccnc2c1)O 62a_200000210301_100000756855 [1,1,0,0,0,0|2,0,0]=4 2131 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_100000732483_200000210301 [1,1,0,0,0,0|2,0,0]=4 2132 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_200000210301_100000732483 [1,1,0,0,0,0|2,0,0]=4 2133 B14R2.1801 CSc1ccc2c(nccc2c1)O 62a_200000210301_100000760485 [1,1,0,0,0,0|2,0,0]=4 2134 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_100010204298_200000210301 [1,1,0,0,0,0|2,0,0]=4 2135 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_200000210301_100010204298 [1,1,0,0,0,0|2,0,0]=4 2136 B14R2.1801 CSc1cnc2c(cccc2c1)C 62a_200000210301_100009829671 [1,1,0,0,0,0|2,0,0]=4 2137 B14R2.1801 CSc1cnc2c(cccc2c1)Cl 62a_200000210301_100000759377 [1,1,0,0,0,0|2,0,0]=4 2138 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_100000049890_200000210301 [1,1,0,0,0,0|2,0,0]=4 2139 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_200000210301_100000049890 [1,1,0,0,0,0|2,0,0]=4 2140 B14R2.1801 CSc1cnc2c(cccc2c1)N 62a_200000210301_100000702407 [1,1,0,0,0,0|2,0,0]=4 2141 B14R2.1801 Cc1cccc2c1ncc(c2)S[13CH3] 62a_200025704644_100009829671 [1,1,0,0,0,0|2,0,0]=4 2142 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 34a_200009854145_200025704644 [1,1,0,0,0,0|2,0,0]=4 2143 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 7a_200009854145_200025704644 [1,1,0,0,0,0|2,0,0]=4 2144 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_100010132309_200025704644 [1,1,0,0,0,0|2,0,0]=4 2145 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_200025704644_100010132309 [1,1,0,0,0,0|2,0,0]=4 2146 B14R2.1801 N#Cc1ccc2c(cccc2c1)O 271570a_203496583355_100010090035 [1,1,0,0,0,0|1,0,1]=4 2147 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 34a_100000035793_200025704644 [1,1,0,0,0,0|1,0,0]=3 2148 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 7a_100000035793_200025704644 [1,1,0,0,0,0|1,0,0]=3 2149 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200025704644 [1,1,0,0,0,0|2,0,0]=4 2150 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200025704644 [1,1,0,0,0,0|2,0,0]=4 2151 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 34a_200000065989_200025704644 [1,1,0,0,0,0|2,0,0]=4 2152 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 7a_200000065989_200025704644 [1,1,0,0,0,0|2,0,0]=4 2153 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [1,1,0,0,0,0|1,0,0]=3 2154 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [1,1,0,0,0,0|1,0,0]=3 2155 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 34a_100010204257_200025704644 [1,1,0,0,0,0|2,0,0]=4 2156 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 7a_100010204257_200025704644 [1,1,0,0,0,0|2,0,0]=4 2157 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_200025704644 [1,1,0,0,0,0|2,0,0]=4 2158 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_200025704644 [1,1,0,0,0,0|2,0,0]=4 2159 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 34a_100009867704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2160 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 7a_100009867704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2161 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 34a_100012184956_200025704644 [1,1,0,0,0,0|2,0,0]=4 2162 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 7a_100012184956_200025704644 [1,1,0,0,0,0|2,0,0]=4 2163 B14R2.1801 [13CH3]Sc1ccc2c(=O)ccoc2c1 62a_200025704644_100010062221 [1,1,0,0,0,0|2,0,0]=4 2164 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_100010090037_200025704644 [1,1,0,0,0,0|1,0,0]=3 2165 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_200025704644_100010090037 [1,1,0,0,0,0|1,0,0]=3 2166 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)O 62a_200025704644_100010202202 [1,1,0,0,0,0|1,0,0]=3 2167 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_100009996786_200025704644 [1,1,0,0,0,0|2,0,0]=4 2168 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_200025704644_100009996786 [1,1,0,0,0,0|2,0,0]=4 2169 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)N 62a_200009816820_200025704644 [1,1,0,0,0,0|2,0,0]=4 2170 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)O 62a_200025704644_100000756855 [1,1,0,0,0,0|2,0,0]=4 2171 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_100000732483_200025704644 [1,1,0,0,0,0|2,0,0]=4 2172 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_200025704644_100000732483 [1,1,0,0,0,0|2,0,0]=4 2173 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)O 62a_200025704644_100000760485 [1,1,0,0,0,0|2,0,0]=4 2174 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_100010204298_200025704644 [1,1,0,0,0,0|2,0,0]=4 2175 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_200025704644_100010204298 [1,1,0,0,0,0|2,0,0]=4 2176 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Cl 62a_200025704644_100000759377 [1,1,0,0,0,0|2,0,0]=4 2177 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_100000049890_200025704644 [1,1,0,0,0,0|2,0,0]=4 2178 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_200025704644_100000049890 [1,1,0,0,0,0|2,0,0]=4 2179 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)N 62a_200025704644_100000702407 [1,1,0,0,0,0|2,0,0]=4 2180 B14R2.2332 C=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100011290941_100011934725 [1,1,0,0,0,0|1,0,1]=4 2181 B14R2.2332 C=Cc1ccc2c[n+](ccc2c1)C 271570a_100011290941_100015191232 [1,1,0,0,0,0|1,0,1]=4 2182 B14R2.2332 C=Cc1ccc2cc(ccc2c1)Br 271570a_100011290941_100012344972 [1,1,0,0,0,0|0,0,1]=3 2183 B14R2.2332 C=Cc1ccc2cc(ccc2c1)F 271570a_100011290941_100009817052 [1,1,0,0,0,0|0,0,1]=3 2184 B14R2.2332 C=Cc1ccc2cc(ccc2c1)N 271570a_100011290941_100000185457 [1,1,0,0,0,0|0,0,1]=3 2185 B14R2.2332 C=Cc1ccc2cc(ccc2c1)O 271570a_100011290941_100000185455 [1,1,0,0,0,0|0,0,1]=3 2186 B14R2.2332 C=Cc1ccc2cc(ccc2n1)C 271570a_100011290941_100011865911 [1,1,0,0,0,0|1,0,1]=4 2187 B14R2.2332 C=Cc1ccc2cc(ccc2n1)F 271570a_100011290941_100011998705 [1,1,0,0,0,0|1,0,1]=4 2188 B14R2.2332 C=Cc1ccc2cc(ccc2n1)O 271570a_100011290941_100009849208 [1,1,0,0,0,0|1,0,1]=4 2189 B14R2.2332 C=Cc1ccc2cc(cnc2c1)Br 271570a_100011290941_200015509644 [1,1,0,0,0,0|1,0,1]=4 2190 B14R2.2332 C=Cc1ccc2cc(cnc2c1)C 271570a_100011290941_100010751441 [1,1,0,0,0,0|1,0,1]=4 2191 B14R2.2332 C=Cc1ccc2cc(cnc2c1)F 271570a_100011290941_100010751466 [1,1,0,0,0,0|1,0,1]=4 2192 B14R2.2332 C=Cc1ccc2cc(cnc2c1)N 271570a_100011290941_100010142226 [1,1,0,0,0,0|1,0,1]=4 2193 B14R2.2332 C=Cc1ccc2cc(ncc2c1)N 271570a_100011290941_100010232990 [1,1,0,0,0,0|1,0,1]=4 2194 B14R2.2332 C=Cc1ccc2nc(ccc2c1)C 271570a_100011290941_100000686635 [1,1,0,0,0,0|1,0,1]=4 2195 B14R2.2332 C=Cc1ccc2nc(ccc2c1)Cl 271570a_100011290941_200012034268 [1,1,0,0,0,0|1,0,1]=4 2196 B14R2.2332 C=Cc1ccc2nc(ccc2c1)N 271570a_100011290941_100011934619 [1,1,0,0,0,0|1,0,1]=4 2197 B14R2.2332 C=Cc1ccc2oc(=O)ccc2c1 271570a_100011290941_100009999946 [1,1,0,0,0,0|1,0,1]=4 2198 B14R2.2332 C=Cc1cnc2cc(ccc2c1)Cl 271570a_100011290941_100015716233 [1,1,0,0,0,0|1,0,1]=4 2199 B14R2.2332 C=Cc1cnc2cc(ccc2c1)N 271570a_100011290941_200010264087 [1,1,0,0,0,0|1,0,1]=4 2200 B14R2.2332 C=Cc1cnc2cc(ccc2c1)O 271570a_100011290941_200010153753 [1,1,0,0,0,0|1,0,1]=4 2201 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 34a_100000185457_200000210301 [1,1,0,0,0,0|1,0,0]=3 2202 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 7a_100000185457_200000210301 [1,1,0,0,0,0|1,0,0]=3 2203 B14R2.2332 CNc1ccc2cc(ccc2n1)C 27a_100102657272_100011865911 [1,1,0,0,0,0|2,0,0]=4 2204 B14R2.2332 CNc1ccc2cc(ccc2n1)F 27a_100102657272_100011998705 [1,1,0,0,0,0|2,0,0]=4 2205 B14R2.2332 CNc1ccc2cc(ccc2n1)O 271570a_203496583355_200012034361 [1,1,0,0,0,0|2,0,0]=4 2206 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 27a_100102657272_200015509644 [1,1,0,0,0,0|2,0,0]=4 2207 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 34a_200010264087_200000210301 [1,1,0,0,0,0|2,0,0]=4 2208 B14R2.2332 CNc1ccc2nc(ccc2c1)C 34a_100011216442_200000210301 [1,1,0,0,0,0|2,0,0]=4 2209 B14R2.2332 CNc1ccc2oc(=O)ccc2c1 7a_100000008519_200000210301 [1,1,0,0,0,0|2,0,0]=4 2210 B14R2.2332 COc1ccc2cc(ccc2c1)Br 34a_100000185455_200000210301 [1,1,0,0,0,0|1,0,0]=3 2211 B14R2.2332 COc1ccc2cc(ccc2c1)Br 7a_100000185455_200000210301 [1,1,0,0,0,0|1,0,0]=3 2212 B14R2.2332 COc1ccc2cc(ccc2c1)C 34a_100000074090_200000210301 [1,1,0,0,0,0|1,0,0]=3 2213 B14R2.2332 COc1ccc2cc(ccc2c1)C 7a_100000074090_200000210301 [1,1,0,0,0,0|1,0,0]=3 2214 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000210301 [1,1,0,0,0,0|1,0,0]=3 2215 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000210301 [1,1,0,0,0,0|1,0,0]=3 2216 B14R2.2332 COc1ccc2cc(ccc2c1)F 34a_100009847029_200000210301 [1,1,0,0,0,0|1,0,0]=3 2217 B14R2.2332 COc1ccc2cc(ccc2c1)F 7a_100009847029_200000210301 [1,1,0,0,0,0|1,0,0]=3 2218 B14R2.2332 COc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170439 [1,1,0,0,0,0|1,0,0]=3 2219 B14R2.2332 COc1ccc2cc(ccc2n1)O 271570a_203496583355_100009817092 [1,1,0,0,0,0|2,0,0]=4 2220 B14R2.2332 COc1ccc2cc(cnc2c1)Br 34a_200010153753_200000210301 [1,1,0,0,0,0|2,0,0]=4 2221 B14R2.2332 COc1ccc2cc(cnc2c1)Br 7a_200010153753_200000210301 [1,1,0,0,0,0|2,0,0]=4 2222 B14R2.2332 COc1ccc2nc(ccc2c1)C 34a_100000037634_200000210301 [1,1,0,0,0,0|2,0,0]=4 2223 B14R2.2332 COc1ccc2nc(ccc2c1)C 7a_100000037634_200000210301 [1,1,0,0,0,0|2,0,0]=4 2224 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 34a_100009849208_200000210301 [1,1,0,0,0,0|2,0,0]=4 2225 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 7a_100009849208_200000210301 [1,1,0,0,0,0|2,0,0]=4 2226 B14R2.2332 COc1ccc2nc(ccc2c1)O 271570a_203496583355_100000743015 [1,1,0,0,0,0|2,0,0]=4 2227 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [1,1,0,0,0,0|2,0,0]=4 2228 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [1,1,0,0,0,0|2,0,0]=4 2229 B14R2.2332 COc1cnc2cc(ccc2c1)F 34a_100012184162_200000210301 [1,1,0,0,0,0|2,0,0]=4 2230 B14R2.2332 COc1cnc2cc(ccc2c1)F 7a_100012184162_200000210301 [1,1,0,0,0,0|2,0,0]=4 2231 B14R2.2332 CSc1ccc2[nH]c(=O)ccc2c1 62a_200000210301_100011934725 [1,1,0,0,0,0|2,0,0]=4 2232 B14R2.2332 CSc1ccc2c[n+](ccc2c1)C 62a_200000210301_100015191232 [1,1,0,0,0,0|2,0,0]=4 2233 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_100012344972_200000210301 [1,1,0,0,0,0|1,0,0]=3 2234 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_200000210301_100012344972 [1,1,0,0,0,0|1,0,0]=3 2235 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_100009817052_200000210301 [1,1,0,0,0,0|1,0,0]=3 2236 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_200000210301_100009817052 [1,1,0,0,0,0|1,0,0]=3 2237 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_100000185457_200000210301 [1,1,0,0,0,0|1,0,0]=3 2238 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_200000210301_100000185457 [1,1,0,0,0,0|1,0,0]=3 2239 B14R2.2332 CSc1ccc2cc(ccc2c1)O 62a_200000210301_100000185455 [1,1,0,0,0,0|1,0,0]=3 2240 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000181977_200000210301 [1,1,0,0,0,0|2,0,0]=4 2241 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000210301_100011865911 [1,1,0,0,0,0|2,0,0]=4 2242 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200000210301_100011998705 [1,1,0,0,0,0|2,0,0]=4 2243 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200012355665_200000210301 [1,1,0,0,0,0|2,0,0]=4 2244 B14R2.2332 CSc1ccc2cc(ccc2n1)O 62a_200000210301_100009849208 [1,1,0,0,0,0|2,0,0]=4 2245 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200000210301_200015509644 [1,1,0,0,0,0|2,0,0]=4 2246 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200015509644_200000210301 [1,1,0,0,0,0|2,0,0]=4 2247 B14R2.2332 CSc1ccc2cc(cnc2c1)C 62a_200000210301_100010751441 [1,1,0,0,0,0|2,0,0]=4 2248 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_100010751466_200000210301 [1,1,0,0,0,0|2,0,0]=4 2249 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_200000210301_100010751466 [1,1,0,0,0,0|2,0,0]=4 2250 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_100010142226_200000210301 [1,1,0,0,0,0|2,0,0]=4 2251 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_200000210301_100010142226 [1,1,0,0,0,0|2,0,0]=4 2252 B14R2.2332 CSc1ccc2cc(ncc2c1)N 62a_100010232990_200000210301 [1,1,0,0,0,0|2,0,0]=4 2253 B14R2.2332 CSc1ccc2cc(ncc2c1)N 62a_200000210301_100010232990 [1,1,0,0,0,0|2,0,0]=4 2254 B14R2.2332 CSc1ccc2nc(ccc2c1)C 62a_100000686635_200000210301 [1,1,0,0,0,0|2,0,0]=4 2255 B14R2.2332 CSc1ccc2nc(ccc2c1)C 62a_200000210301_100000686635 [1,1,0,0,0,0|2,0,0]=4 2256 B14R2.2332 CSc1ccc2nc(ccc2c1)Cl 62a_200000210301_200012034268 [1,1,0,0,0,0|2,0,0]=4 2257 B14R2.2332 CSc1ccc2nc(ccc2c1)N 62a_100011934619_200000210301 [1,1,0,0,0,0|2,0,0]=4 2258 B14R2.2332 CSc1ccc2oc(=O)ccc2c1 62a_200000210301_100009999946 [1,1,0,0,0,0|2,0,0]=4 2259 B14R2.2332 CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_200000210301 [1,1,0,0,0,0|2,0,0]=4 2260 B14R2.2332 CSc1cnc2cc(ccc2c1)Cl 62a_200000210301_100015716233 [1,1,0,0,0,0|2,0,0]=4 2261 B14R2.2332 CSc1cnc2cc(ccc2c1)N 62a_200000210301_200010264087 [1,1,0,0,0,0|2,0,0]=4 2262 B14R2.2332 CSc1cnc2cc(ccc2c1)N 62a_200010264087_200000210301 [1,1,0,0,0,0|2,0,0]=4 2263 B14R2.2332 CSc1cnc2cc(ccc2c1)O 62a_200000210301_200010153753 [1,1,0,0,0,0|2,0,0]=4 2264 B14R2.2332 C[n+]1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100015191232 [1,1,0,0,0,0|2,0,0]=4 2265 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 34a_100000074090_200025704644 [1,1,0,0,0,0|1,0,0]=3 2266 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 7a_100000074090_200025704644 [1,1,0,0,0,0|1,0,0]=3 2267 B14R2.2332 Cc1ccc2cc(ccc2n1)N[13CH3] 34a_100011216442_200025704644 [1,1,0,0,0,0|2,0,0]=4 2268 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 34a_100000037634_200025704644 [1,1,0,0,0,0|2,0,0]=4 2269 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 7a_100000037634_200025704644 [1,1,0,0,0,0|2,0,0]=4 2270 B14R2.2332 Cc1ccc2cc(ccc2n1)S[13CH3] 62a_100000686635_200025704644 [1,1,0,0,0,0|2,0,0]=4 2271 B14R2.2332 Cc1ccc2cc(ccc2n1)S[13CH3] 62a_200025704644_100000686635 [1,1,0,0,0,0|2,0,0]=4 2272 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200000181977_200025704644 [1,1,0,0,0,0|2,0,0]=4 2273 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200025704644_100011865911 [1,1,0,0,0,0|2,0,0]=4 2274 B14R2.2332 Cc1cnc2cc(ccc2c1)S[13CH3] 62a_200025704644_100010751441 [1,1,0,0,0,0|2,0,0]=4 2275 B14R2.2332 O=Cc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356508 [1,1,0,0,0,0|0,0,0]=2 2276 B14R2.2332 O=Cc1ccc2cc(cnc2c1)O 271570a_203496583355_100010114372 [1,1,0,0,0,0|1,0,0]=3 2277 B14R2.2332 O=Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100000087602 [1,1,0,0,0,0|1,0,0]=3 2278 B14R2.2332 OCc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356509 [1,1,0,0,0,0|0,0,2]=4 2279 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 34a_100000185457_200025704644 [1,1,0,0,0,0|1,0,0]=3 2280 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 7a_100000185457_200025704644 [1,1,0,0,0,0|1,0,0]=3 2281 B14R2.2332 [13CH3]Nc1ccc2cc(cnc2c1)Br 34a_200010264087_200025704644 [1,1,0,0,0,0|2,0,0]=4 2282 B14R2.2332 [13CH3]Nc1ccc2oc(=O)ccc2c1 7a_100000008519_200025704644 [1,1,0,0,0,0|2,0,0]=4 2283 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 34a_100000185455_200025704644 [1,1,0,0,0,0|1,0,0]=3 2284 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 7a_100000185455_200025704644 [1,1,0,0,0,0|1,0,0]=3 2285 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_200025704644 [1,1,0,0,0,0|1,0,0]=3 2286 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_200025704644 [1,1,0,0,0,0|1,0,0]=3 2287 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 34a_100009847029_200025704644 [1,1,0,0,0,0|1,0,0]=3 2288 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 7a_100009847029_200025704644 [1,1,0,0,0,0|1,0,0]=3 2289 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 34a_200010153753_200025704644 [1,1,0,0,0,0|2,0,0]=4 2290 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 7a_200010153753_200025704644 [1,1,0,0,0,0|2,0,0]=4 2291 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_200025704644 [1,1,0,0,0,0|2,0,0]=4 2292 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_200025704644 [1,1,0,0,0,0|2,0,0]=4 2293 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [1,1,0,0,0,0|2,0,0]=4 2294 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [1,1,0,0,0,0|2,0,0]=4 2295 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 34a_100012184162_200025704644 [1,1,0,0,0,0|2,0,0]=4 2296 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 7a_100012184162_200025704644 [1,1,0,0,0,0|2,0,0]=4 2297 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)ccc2c1 62a_200025704644_100011934725 [1,1,0,0,0,0|2,0,0]=4 2298 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_100012344972_200025704644 [1,1,0,0,0,0|1,0,0]=3 2299 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_200025704644_100012344972 [1,1,0,0,0,0|1,0,0]=3 2300 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_100009817052_200025704644 [1,1,0,0,0,0|1,0,0]=3 2301 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_200025704644_100009817052 [1,1,0,0,0,0|1,0,0]=3 2302 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_100000185457_200025704644 [1,1,0,0,0,0|1,0,0]=3 2303 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_200025704644_100000185457 [1,1,0,0,0,0|1,0,0]=3 2304 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)O 62a_200025704644_100000185455 [1,1,0,0,0,0|1,0,0]=3 2305 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200012355665_200025704644 [1,1,0,0,0,0|2,0,0]=4 2306 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200025704644_100011998705 [1,1,0,0,0,0|2,0,0]=4 2307 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)O 62a_200025704644_100009849208 [1,1,0,0,0,0|2,0,0]=4 2308 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200015509644_200025704644 [1,1,0,0,0,0|2,0,0]=4 2309 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200025704644_200015509644 [1,1,0,0,0,0|2,0,0]=4 2310 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_100010751466_200025704644 [1,1,0,0,0,0|2,0,0]=4 2311 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_200025704644_100010751466 [1,1,0,0,0,0|2,0,0]=4 2312 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_100010142226_200025704644 [1,1,0,0,0,0|2,0,0]=4 2313 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_200025704644_100010142226 [1,1,0,0,0,0|2,0,0]=4 2314 B14R2.2332 [13CH3]Sc1ccc2cc(ncc2c1)N 62a_100010232990_200025704644 [1,1,0,0,0,0|2,0,0]=4 2315 B14R2.2332 [13CH3]Sc1ccc2cc(ncc2c1)N 62a_200025704644_100010232990 [1,1,0,0,0,0|2,0,0]=4 2316 B14R2.2332 [13CH3]Sc1ccc2nc(ccc2c1)Cl 62a_200025704644_200012034268 [1,1,0,0,0,0|2,0,0]=4 2317 B14R2.2332 [13CH3]Sc1ccc2nc(ccc2c1)N 62a_100011934619_200025704644 [1,1,0,0,0,0|2,0,0]=4 2318 B14R2.2332 [13CH3]Sc1ccc2oc(=O)ccc2c1 62a_200025704644_100009999946 [1,1,0,0,0,0|2,0,0]=4 2319 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)Cl 62a_100015716233_200025704644 [1,1,0,0,0,0|2,0,0]=4 2320 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)Cl 62a_200025704644_100015716233 [1,1,0,0,0,0|2,0,0]=4 2321 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)N 62a_200010264087_200025704644 [1,1,0,0,0,0|2,0,0]=4 2322 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)N 62a_200025704644_200010264087 [1,1,0,0,0,0|2,0,0]=4 2323 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)O 62a_200025704644_200010153753 [1,1,0,0,0,0|2,0,0]=4 2324 B14R2.95 CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210202 [0,1,0,0,1,0|0,0,1]=3 2325 B14R2.95 CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210202 [0,1,0,0,1,0|0,0,1]=3 2326 B14R2.95 CNC(=O)C1=CCc2c1cccc2 11a_106832991635_100000037392 [0,1,0,0,1,0|0,0,1]=3 2327 B14R2.95 CNC(=O)C1=CCc2c1cccc2 1626a_100102657272_100000037392 [0,1,0,0,1,0|0,0,1]=3 2328 B14R2.95 CNC(=O)C1=CCc2c1cccc2 240690a_100102657272_100000037392 [0,1,0,0,1,0|0,0,1]=3 2329 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 1626a_100102657272_200009832160 [0,1,0,0,1,0|0,0,1]=3 2330 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 240690a_100102657272_200009832160 [0,1,0,0,1,0|0,0,1]=3 2331 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 527a_100102657272_200009832160 [0,1,0,0,1,0|0,0,1]=3 2332 B14R2.95 O=C(CF)C1=CCc2c1cccc2 1458a_100000037392_100015361967 [0,1,0,0,1,0|0,0,1]=3 2333 B14R2.95 O=C(CF)C1C=Cc2c1cccc2 1458a_200009832160_100015361967 [0,1,0,0,1,0|0,0,1]=3 2334 B14R2.300 CC(=O)n1ccc2c1ccc(c2)O 271570a_203496583355_100009995693 [0,1,0,0,1,0|1,0,0]=3 2335 B14R2.642 C=C(C)c1c(oc2c1cccc2)C 271570a_100000694244_200010236113 [0,1,0,0,1,0|2,0,0]=4 2336 B14R2.642 C=C(C)c1c(sc2c1cccc2)C 271570a_100000694244_100010002616 [0,1,0,0,1,0|2,0,0]=4 2337 B14R2.642 CC(=O)c1c(nc2n1cccc2)O 271570a_203496583355_100010332781 [0,1,0,0,1,0|2,0,0]=4 2338 B14R2.5816 C=C(C)c1csc2c1cc(cc2)N 271570a_100000694244_100011178648 [0,1,0,0,1,0|2,0,0]=4 2339 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000731263 [0,1,0,0,1,0|1,0,0]=3 2340 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cn2)O 271570a_203496583355_100012343711 [0,1,0,0,1,0|2,0,0]=4 2341 B14R2.5816 CC(=O)c1c[nH]c2c1cc(nc2)O 271570a_203496583355_100010761600 [0,1,0,0,1,0|2,0,0]=4 2342 B14R2.5816 CC(=O)c1cnc2n1cc(cc2)O 271570a_203496583355_100010260146 [0,1,0,0,1,0|2,0,0]=4 2343 B14R2.5816 CC(=O)c1csc2c1cc(cc2)O 271570a_203496583355_100010167055 [0,1,0,0,1,0|1,0,0]=3 2344 B14R2.5816 CC(=O)c1n[nH]c2c1cc(cc2)O 271570a_203496583355_100010178523 [0,1,0,0,1,0|2,0,0]=4 2345 B14R2.5816 CC(=O)n1ncc2c1cc(cc2)O 271570a_203496583355_100010183375 [0,1,0,0,1,0|2,0,0]=4 2346 B14R2.8032 CC(=O)c1c[nH]c2c1cccc2O 271570a_203496583355_100010272396 [0,1,0,0,1,0|1,0,0]=3 2347 B14R2.8032 CC(=O)n1ccc2c1nccc2O 271570a_203496583355_100010199678 [0,1,0,0,1,0|2,0,0]=4 2348 B14R2.8032 CC(=O)n1ncc2c1cccc2O 271570a_203496583355_100010063004 [0,1,0,0,1,0|2,0,0]=4 2349 B14R2.8053 CC(=O)c1c[nH]c2c1c(ccn2)O 271570a_203496583355_100012185045 [0,1,0,0,1,0|2,0,0]=4 2350 B14R2.25733 CC(=O)C1CC(=O)c2c1cccc2 1458a_100000070787_100010208147 [0,1,0,0,1,0|0,0,2]=4 2351 B14R2.25733 CC(=O)n1cc(c2c1cccc2)O 271570a_203496583355_100010365038 [0,1,0,0,1,0|1,0,0]=3 2352 B14R2.601 C=C(C)c1ccc2[nH]c(cc2c1)C 271570a_100000694244_100011214893 [0,1,0,0,1,0|2,0,0]=4 2353 B14R2.601 C=C(C)c1ccc2cc([nH]c2c1)C 271570a_100000694244_100010196937 [0,1,0,0,1,0|2,0,0]=4 2354 B14R2.601 C=C(C)c1ccc2sc(cc2c1)C 271570a_100000694244_100000695401 [0,1,0,0,1,0|2,0,0]=4 2355 B14R2.601 CC(=O)c1ccc2[nH]c(=O)oc2c1 1458a_100000744649_200000210301 [0,1,0,0,1,0|2,0,0]=4 2356 B14R2.601 CC(=O)c1ccc2[nH]c(cc2c1)C 1458a_100000044770_200000210301 [0,1,0,0,1,0|1,0,0]=3 2357 B14R2.601 CC(=O)c1ccc2[nH]c(nc2c1)C 1458a_100000698315_200000210301 [0,1,0,0,1,0|2,0,0]=4 2358 B14R2.601 CC(=O)c1ccc2cc([nH]c2c1)C 1458a_100009852829_200000210301 [0,1,0,0,1,0|1,0,0]=3 2359 B14R2.601 CC(=O)c1ccc2cn(nc2c1)C 1458a_100009851285_200000210301 [0,1,0,0,1,0|2,0,0]=4 2360 B14R2.601 CC(=O)c1ccc2nc(oc2c1)C 1458a_100000688415_200000210301 [0,1,0,0,1,0|2,0,0]=4 2361 B14R2.601 CC(=O)c1ccc2nc(sc2c1)Br 1458a_100009815783_200000210301 [0,1,0,0,1,0|2,0,0]=4 2362 B14R2.601 CC(=O)c1ccc2nc(sc2c1)C 1458a_100000695894_200000210301 [0,1,0,0,1,0|2,0,0]=4 2363 B14R2.601 CC(=O)c1ccc2nc(sc2c1)Cl 1458a_100000068991_200000210301 [0,1,0,0,1,0|2,0,0]=4 2364 B14R2.601 CC(=O)c1ccc2oc(=O)[nH]c2c1 1458a_100000724434_200000210301 [0,1,0,0,1,0|2,0,0]=4 2365 B14R2.601 CC(=O)c1ccc2oc(cc2c1)C 1458a_100000068196_200000210301 [0,1,0,0,1,0|1,0,0]=3 2366 B14R2.601 CC(=O)c1ccc2oc(nc2c1)C 1458a_100000709727_200000210301 [0,1,0,0,1,0|2,0,0]=4 2367 B14R2.601 CC(=O)c1ccc2sc(nc2c1)C 1458a_100000016425_200000210301 [0,1,0,0,1,0|2,0,0]=4 2368 B14R2.601 Cc1cc2cc(ccc2[nH]1)C(=O)[13CH3] 1458a_100000044770_200025704644 [0,1,0,0,1,0|1,0,0]=3 2369 B14R2.601 Cc1cc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000068196_200025704644 [0,1,0,0,1,0|1,0,0]=3 2370 B14R2.601 Cc1cc2ccc(cc2[nH]1)C(=O)[13CH3] 1458a_100009852829_200025704644 [0,1,0,0,1,0|1,0,0]=3 2371 B14R2.601 Cc1nc2cc(ccc2[nH]1)C(=O)[13CH3] 1458a_100000698315_200025704644 [0,1,0,0,1,0|2,0,0]=4 2372 B14R2.601 Cc1nc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000709727_200025704644 [0,1,0,0,1,0|2,0,0]=4 2373 B14R2.601 Cc1nc2cc(ccc2s1)C(=O)[13CH3] 1458a_100000016425_200025704644 [0,1,0,0,1,0|2,0,0]=4 2374 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)[13CH3] 1458a_100000688415_200025704644 [0,1,0,0,1,0|2,0,0]=4 2375 B14R2.601 Cc1nc2ccc(cc2s1)C(=O)[13CH3] 1458a_100000695894_200025704644 [0,1,0,0,1,0|2,0,0]=4 2376 B14R2.601 Cn1cc2ccc(cc2n1)C(=O)[13CH3] 1458a_100009851285_200025704644 [0,1,0,0,1,0|2,0,0]=4 2377 B14R2.601 [13CH3]C(=O)c1ccc2[nH]c(=O)oc2c1 1458a_100000744649_200025704644 [0,1,0,0,1,0|2,0,0]=4 2378 B14R2.601 [13CH3]C(=O)c1ccc2nc(sc2c1)Br 1458a_100009815783_200025704644 [0,1,0,0,1,0|2,0,0]=4 2379 B14R2.601 [13CH3]C(=O)c1ccc2nc(sc2c1)Cl 1458a_100000068991_200025704644 [0,1,0,0,1,0|2,0,0]=4 2380 B14R2.601 [13CH3]C(=O)c1ccc2oc(=O)[nH]c2c1 1458a_100000724434_200025704644 [0,1,0,0,1,0|2,0,0]=4 2381 B14R2.624 C=C(C)c1cc2[nH]ccc2cc1Br 271570a_100000694244_100000703010 [0,1,0,0,1,0|2,0,0]=4 2382 B14R2.624 C=C(C)c1cc2[nH]ccc2cc1C 271570a_100000694244_100010199660 [0,1,0,0,1,0|2,0,0]=4 2383 B14R2.624 C=C(C)c1cc2[nH]ccc2cc1F 271570a_100000694244_100009817181 [0,1,0,0,1,0|2,0,0]=4 2384 B14R2.624 C=C(C)c1cc2cc[nH]c2cc1C 271570a_100000694244_100010199648 [0,1,0,0,1,0|2,0,0]=4 2385 B14R2.624 C=C(C)c1cc2cc[nH]c2cc1F 271570a_100000694244_100000731065 [0,1,0,0,1,0|2,0,0]=4 2386 B14R2.624 C=C(C)c1cc2cc[nH]c2cc1N 271570a_100000694244_100010212544 [0,1,0,0,1,0|2,0,0]=4 2387 B14R2.624 C=C(C)c1cc2sccc2cc1C 271570a_100000694244_100010762285 [0,1,0,0,1,0|2,0,0]=4 2388 B14R2.624 CC(=O)c1cc2[nH]ccc2cc1Cl 1458a_100009858578_200000210301 [0,1,0,0,1,0|1,0,0]=3 2389 B14R2.624 CC(=O)c1cc2[nH]cnc2cc1F 1458a_200000729458_200000210301 [0,1,0,0,1,0|2,0,0]=4 2390 B14R2.624 CC(=O)c1cc2[nH]ncc2cc1Br 1458a_100102525137_200000210301 [0,1,0,0,1,0|2,0,0]=4 2391 B14R2.624 CC(=O)c1cc2[nH]ncc2cc1Cl 1458a_100009865559_200000210301 [0,1,0,0,1,0|2,0,0]=4 2392 B14R2.624 CC(=O)c1cc2c[nH]nc2cc1Cl 1458a_100021219222_200000210301 [0,1,0,0,1,0|2,0,0]=4 2393 B14R2.624 CC(=O)c1cc2cc[nH]c2cc1Cl 1458a_100009861393_200000210301 [0,1,0,0,1,0|1,0,0]=3 2394 B14R2.624 CC(=O)c1cc2nc[nH]c2cc1C 1458a_200025765037_200000210301 [0,1,0,0,1,0|2,0,0]=4 2395 B14R2.624 CC(=O)c1cc2occc2cc1F 1458a_100009927656_200000210301 [0,1,0,0,1,0|1,0,0]=3 2396 B14R2.624 Cc1cc2[nH]cnc2cc1C(=O)[13CH3] 1458a_200025765037_200025704644 [0,1,0,0,1,0|2,0,0]=4 2397 B14R2.624 [13CH3]C(=O)c1cc2[nH]ccc2cc1Cl 1458a_100009858578_200025704644 [0,1,0,0,1,0|1,0,0]=3 2398 B14R2.624 [13CH3]C(=O)c1cc2[nH]cnc2cc1F 1458a_200000729458_200025704644 [0,1,0,0,1,0|2,0,0]=4 2399 B14R2.624 [13CH3]C(=O)c1cc2[nH]ncc2cc1Br 1458a_100102525137_200025704644 [0,1,0,0,1,0|2,0,0]=4 2400 B14R2.624 [13CH3]C(=O)c1cc2[nH]ncc2cc1Cl 1458a_100009865559_200025704644 [0,1,0,0,1,0|2,0,0]=4 2401 B14R2.624 [13CH3]C(=O)c1cc2c[nH]nc2cc1Cl 1458a_100021219222_200025704644 [0,1,0,0,1,0|2,0,0]=4 2402 B14R2.624 [13CH3]C(=O)c1cc2cc[nH]c2cc1Cl 1458a_100009861393_200025704644 [0,1,0,0,1,0|1,0,0]=3 2403 B14R2.624 [13CH3]C(=O)c1cc2occc2cc1F 1458a_100009927656_200025704644 [0,1,0,0,1,0|1,0,0]=3 2404 B14R2.966 CCC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_100000210202 [0,1,0,0,1,0|1,0,0]=3 2405 B14R2.966 CCC(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_100000210202 [0,1,0,0,1,0|2,0,0]=4 2406 B14R2.966 CCC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_100000210202 [0,1,0,0,1,0|2,0,0]=4 2407 B14R2.966 CCC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_100000210202 [0,1,0,0,1,0|1,0,0]=3 2408 B14R2.966 CCC(=O)c1ccc2ccoc2c1 1458a_100000077109_100000210202 [0,1,0,0,1,0|1,0,0]=3 2409 B14R2.966 CCC(=O)c1ccc2ccsc2c1 1458a_100000045399_100000210202 [0,1,0,0,1,0|1,0,0]=3 2410 B14R2.966 CCC(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_100000210202 [0,1,0,0,1,0|2,0,0]=4 2411 B14R2.966 CCC(=O)c1ccc2ncoc2c1 1458a_100000750374_100000210202 [0,1,0,0,1,0|2,0,0]=4 2412 B14R2.966 CCC(=O)c1ccc2ncsc2c1 1458a_100000183663_100000210202 [0,1,0,0,1,0|2,0,0]=4 2413 B14R2.966 CCC(=O)c1ccc2occc2c1 1458a_100000039204_100000210202 [0,1,0,0,1,0|1,0,0]=3 2414 B14R2.966 CCC(=O)c1ccc2ocnc2c1 1458a_100000238527_100000210202 [0,1,0,0,1,0|2,0,0]=4 2415 B14R2.966 CCC(=O)c1ccc2sccc2c1 1458a_100000766740_100000210202 [0,1,0,0,1,0|1,0,0]=3 2416 B14R2.966 CCC(=O)c1ccc2scnc2c1 1458a_100000068124_100000210202 [0,1,0,0,1,0|2,0,0]=4 2417 B14R2.966 CNC(=O)c1ccc2[nH]ccc2c1 11a_106832991635_100000752189 [0,1,0,0,1,0|1,0,0]=3 2418 B14R2.966 CNC(=O)c1ccc2[nH]ccc2c1 527a_100102657272_100000752189 [0,1,0,0,1,0|1,0,0]=3 2419 B14R2.966 CNC(=O)c1ccc2[nH]cnc2c1 240690a_100102657272_100000184039 [0,1,0,0,1,0|2,0,0]=4 2420 B14R2.966 CNC(=O)c1ccc2[nH]cnc2c1 527a_100102657272_100000184039 [0,1,0,0,1,0|2,0,0]=4 2421 B14R2.966 CNC(=O)c1ccc2[nH]ncc2c1 240690a_100102657272_100000030791 [0,1,0,0,1,0|2,0,0]=4 2422 B14R2.966 CNC(=O)c1ccc2[nH]ncc2c1 527a_100102657272_100000030791 [0,1,0,0,1,0|2,0,0]=4 2423 B14R2.966 CNC(=O)c1ccc2cc[nH]c2c1 11a_106832991635_100000739399 [0,1,0,0,1,0|1,0,0]=3 2424 B14R2.966 CNC(=O)c1ccc2cc[nH]c2c1 527a_100102657272_100000739399 [0,1,0,0,1,0|1,0,0]=3 2425 B14R2.966 CNC(=O)c1ccc2ccoc2c1 11a_106832991635_100000077109 [0,1,0,0,1,0|1,0,0]=3 2426 B14R2.966 CNC(=O)c1ccc2ccoc2c1 1626a_100102657272_100000077109 [0,1,0,0,1,0|1,0,0]=3 2427 B14R2.966 CNC(=O)c1ccc2ccoc2c1 240690a_100102657272_100000077109 [0,1,0,0,1,0|1,0,0]=3 2428 B14R2.966 CNC(=O)c1ccc2ccoc2c1 527a_100102657272_100000077109 [0,1,0,0,1,0|1,0,0]=3 2429 B14R2.966 CNC(=O)c1ccc2ccsc2c1 11a_106832991635_100000045399 [0,1,0,0,1,0|1,0,0]=3 2430 B14R2.966 CNC(=O)c1ccc2ccsc2c1 1626a_100102657272_100000045399 [0,1,0,0,1,0|1,0,0]=3 2431 B14R2.966 CNC(=O)c1ccc2ccsc2c1 240690a_100102657272_100000045399 [0,1,0,0,1,0|1,0,0]=3 2432 B14R2.966 CNC(=O)c1ccc2ccsc2c1 527a_100102657272_100000045399 [0,1,0,0,1,0|1,0,0]=3 2433 B14R2.966 CNC(=O)c1ccc2cn[nH]c2c1 240690a_100102657272_102516607281 [0,1,0,0,1,0|2,0,0]=4 2434 B14R2.966 CNC(=O)c1ccc2cn[nH]c2c1 527a_100102657272_102516607281 [0,1,0,0,1,0|2,0,0]=4 2435 B14R2.966 CNC(=O)c1ccc2ncoc2c1 1626a_100102657272_100000750374 [0,1,0,0,1,0|2,0,0]=4 2436 B14R2.966 CNC(=O)c1ccc2ncsc2c1 11a_106832991635_100000183663 [0,1,0,0,1,0|2,0,0]=4 2437 B14R2.966 CNC(=O)c1ccc2ncsc2c1 1626a_100102657272_100000183663 [0,1,0,0,1,0|2,0,0]=4 2438 B14R2.966 CNC(=O)c1ccc2ncsc2c1 240690a_100102657272_100000183663 [0,1,0,0,1,0|2,0,0]=4 2439 B14R2.966 CNC(=O)c1ccc2ncsc2c1 527a_100102657272_100000183663 [0,1,0,0,1,0|2,0,0]=4 2440 B14R2.966 CNC(=O)c1ccc2occc2c1 11a_106832991635_100000039204 [0,1,0,0,1,0|1,0,0]=3 2441 B14R2.966 CNC(=O)c1ccc2occc2c1 1626a_100102657272_100000039204 [0,1,0,0,1,0|1,0,0]=3 2442 B14R2.966 CNC(=O)c1ccc2occc2c1 240690a_100102657272_100000039204 [0,1,0,0,1,0|1,0,0]=3 2443 B14R2.966 CNC(=O)c1ccc2occc2c1 527a_100102657272_100000039204 [0,1,0,0,1,0|1,0,0]=3 2444 B14R2.966 CNC(=O)c1ccc2ocnc2c1 11a_106832991635_100000238527 [0,1,0,0,1,0|2,0,0]=4 2445 B14R2.966 CNC(=O)c1ccc2ocnc2c1 1626a_100102657272_100000238527 [0,1,0,0,1,0|2,0,0]=4 2446 B14R2.966 CNC(=O)c1ccc2sccc2c1 11a_106832991635_100000766740 [0,1,0,0,1,0|1,0,0]=3 2447 B14R2.966 CNC(=O)c1ccc2sccc2c1 1626a_100102657272_100000766740 [0,1,0,0,1,0|1,0,0]=3 2448 B14R2.966 CNC(=O)c1ccc2sccc2c1 240690a_100102657272_100000766740 [0,1,0,0,1,0|1,0,0]=3 2449 B14R2.966 CNC(=O)c1ccc2sccc2c1 527a_100102657272_100000766740 [0,1,0,0,1,0|1,0,0]=3 2450 B14R2.966 CNC(=O)c1ccc2scnc2c1 11a_106832991635_100000068124 [0,1,0,0,1,0|2,0,0]=4 2451 B14R2.966 CNC(=O)c1ccc2scnc2c1 1626a_100102657272_100000068124 [0,1,0,0,1,0|2,0,0]=4 2452 B14R2.966 CNC(=O)c1ccc2scnc2c1 527a_100102657272_100000068124 [0,1,0,0,1,0|2,0,0]=4 2453 B14R2.966 O=C(CF)c1ccc2[nH]ccc2c1 1458a_100000752189_100015361967 [0,1,0,0,1,0|1,0,0]=3 2454 B14R2.966 O=C(CF)c1ccc2[nH]cnc2c1 1458a_100000184039_100015361967 [0,1,0,0,1,0|2,0,0]=4 2455 B14R2.966 O=C(CF)c1ccc2[nH]ncc2c1 1458a_100000030791_100015361967 [0,1,0,0,1,0|2,0,0]=4 2456 B14R2.966 O=C(CF)c1ccc2cc[nH]c2c1 1458a_100000739399_100015361967 [0,1,0,0,1,0|1,0,0]=3 2457 B14R2.966 O=C(CF)c1ccc2ccoc2c1 1458a_100000077109_100015361967 [0,1,0,0,1,0|1,0,0]=3 2458 B14R2.966 O=C(CF)c1ccc2ccsc2c1 1458a_100000045399_100015361967 [0,1,0,0,1,0|1,0,0]=3 2459 B14R2.966 O=C(CF)c1ccc2cn[nH]c2c1 1458a_102516607281_100015361967 [0,1,0,0,1,0|2,0,0]=4 2460 B14R2.966 O=C(CF)c1ccc2ncoc2c1 1458a_100000750374_100015361967 [0,1,0,0,1,0|2,0,0]=4 2461 B14R2.966 O=C(CF)c1ccc2ncsc2c1 1458a_100000183663_100015361967 [0,1,0,0,1,0|2,0,0]=4 2462 B14R2.966 O=C(CF)c1ccc2occc2c1 1458a_100000039204_100015361967 [0,1,0,0,1,0|1,0,0]=3 2463 B14R2.966 O=C(CF)c1ccc2ocnc2c1 1458a_100000238527_100015361967 [0,1,0,0,1,0|2,0,0]=4 2464 B14R2.966 O=C(CF)c1ccc2sccc2c1 1458a_100000766740_100015361967 [0,1,0,0,1,0|1,0,0]=3 2465 B14R2.966 O=C(CF)c1ccc2scnc2c1 1458a_100000068124_100015361967 [0,1,0,0,1,0|2,0,0]=4 2466 B14R2.5719 C=C(C)c1ccc2c(c1)C=CC2=O 271570a_100000694244_100010210589 [0,1,0,0,1,0|1,0,0]=3 2467 B14R2.5719 C=C(C)c1ccc2c(c1)ccn2C 271570a_100000694244_100011202928 [0,1,0,0,1,0|2,0,0]=4 2468 B14R2.5719 C=C(C)c1ccc2c(c[nH]c2c1)C 271570a_100000694244_100010209589 [0,1,0,0,1,0|2,0,0]=4 2469 B14R2.5719 C=C(C)c1ccc2c(coc2c1)C 271570a_100000694244_100010775837 [0,1,0,0,1,0|2,0,0]=4 2470 B14R2.5719 CC(=O)c1ccc2c(c1)CNC2=O 1458a_100009866785_200000210301 [0,1,0,0,1,0|1,0,1]=4 2471 B14R2.5719 CC(=O)c1ccc2c(c1)COC2=O 1458a_100000049098_200000210301 [0,1,0,0,1,0|1,0,1]=4 2472 B14R2.5719 CC(=O)c1ccc2c(c1)ccn2C 1458a_100011912520_200000210301 [0,1,0,0,1,0|1,0,0]=3 2473 B14R2.5719 CC(=O)c1ccc2c(c1)cnn2C 1458a_100009866526_200000210301 [0,1,0,0,1,0|2,0,0]=4 2474 B14R2.5719 CC(=O)c1ccc2c(c1)ncn2C 1458a_100000733711_200000210301 [0,1,0,0,1,0|2,0,0]=4 2475 B14R2.5719 CC(=O)c1ccc2c(c[nH]c2c1)Br 1458a_100010235667_200000210301 [0,1,0,0,1,0|1,0,0]=3 2476 B14R2.5719 CC(=O)c1ccc2c(n[nH]c2c1)Br 1458a_100012355686_200000210301 [0,1,0,0,1,0|2,0,0]=4 2477 B14R2.5719 CC(=O)c1ccc2c(n[nH]c2c1)I 1458a_100010238549_200000210301 [0,1,0,0,1,0|2,0,0]=4 2478 B14R2.5719 Cn1ccc2c1ccc(c2)C(=O)[13CH3] 1458a_100011912520_200025704644 [0,1,0,0,1,0|1,0,0]=3 2479 B14R2.5719 Cn1cnc2c1ccc(c2)C(=O)[13CH3] 1458a_100000733711_200025704644 [0,1,0,0,1,0|2,0,0]=4 2480 B14R2.5719 Cn1ncc2c1ccc(c2)C(=O)[13CH3] 1458a_100009866526_200025704644 [0,1,0,0,1,0|2,0,0]=4 2481 B14R2.5719 [13CH3]C(=O)c1ccc2c(c1)CNC2=O 1458a_100009866785_200025704644 [0,1,0,0,1,0|1,0,1]=4 2482 B14R2.5719 [13CH3]C(=O)c1ccc2c(c1)COC2=O 1458a_100000049098_200025704644 [0,1,0,0,1,0|1,0,1]=4 2483 B14R2.5719 [13CH3]C(=O)c1ccc2c(c[nH]c2c1)Br 1458a_100010235667_200025704644 [0,1,0,0,1,0|1,0,0]=3 2484 B14R2.5719 [13CH3]C(=O)c1ccc2c(n[nH]c2c1)Br 1458a_100012355686_200025704644 [0,1,0,0,1,0|2,0,0]=4 2485 B14R2.5719 [13CH3]C(=O)c1ccc2c(n[nH]c2c1)I 1458a_100010238549_200025704644 [0,1,0,0,1,0|2,0,0]=4 2486 B14R2.5998 C=C(C)c1ccc2[nH]ccc2c1C 271570a_100000694244_100010731972 [0,1,0,0,1,0|2,0,0]=4 2487 B14R2.5998 C=C(C)c1ccc2[nH]ccc2c1F 271570a_100000694244_100000700836 [0,1,0,0,1,0|2,0,0]=4 2488 B14R2.5998 C=C(C)c1ccc2cc[nH]c2c1C 271570a_100000694244_100009816929 [0,1,0,0,1,0|2,0,0]=4 2489 B14R2.5998 CC(=O)c1ccc2[nH]ncc2c1F 1458a_100000100393_200000210301 [0,1,0,0,1,0|2,0,0]=4 2490 B14R2.5998 CC(=O)c1ccc2cc[nH]c2c1Br 1458a_100010717018_200000210301 [0,1,0,0,1,0|1,0,0]=3 2491 B14R2.5998 [13CH3]C(=O)c1ccc2[nH]ncc2c1F 1458a_100000100393_200025704644 [0,1,0,0,1,0|2,0,0]=4 2492 B14R2.5998 [13CH3]C(=O)c1ccc2cc[nH]c2c1Br 1458a_100010717018_200025704644 [0,1,0,0,1,0|1,0,0]=3 2493 B14R2.8824 C=C(C)c1cc(c2[nH]ccc2c1)C 271570a_100000694244_100009817142 [0,1,0,0,1,0|2,0,0]=4 2494 B14R2.8824 C=C(C)c1cc(c2[nH]ccc2c1)F 271570a_100000694244_100010138380 [0,1,0,0,1,0|2,0,0]=4 2495 B14R2.8824 C=C(C)c1cc(c2[nH]ccc2c1)N 271570a_100000694244_100009813507 [0,1,0,0,1,0|2,0,0]=4 2496 B14R2.8824 C=C(C)c1cc(c2cc[nH]c2c1)Br 271570a_100000694244_100009814775 [0,1,0,0,1,0|2,0,0]=4 2497 B14R2.8824 C=C(C)c1cc(c2cc[nH]c2c1)F 271570a_100000694244_100010186028 [0,1,0,0,1,0|2,0,0]=4 2498 B14R2.8824 C=C(C)c1cc(c2cc[nH]c2c1)N 271570a_100000694244_106744500199 [0,1,0,0,1,0|2,0,0]=4 2499 B14R2.8824 C=C(C)c1cc(c2occc2c1)C 271570a_100000694244_100012361858 [0,1,0,0,1,0|2,0,0]=4 2500 B14R2.8824 C=C(C)c1cc(c2occc2c1)F 271570a_100000694244_100012355474 [0,1,0,0,1,0|2,0,0]=4 2501 B14R2.8824 CC(=O)c1cc(c2[nH]ccc2c1)C 1458a_100009883529_200000210301 [0,1,0,0,1,0|1,0,0]=3 2502 B14R2.8824 CC(=O)c1cc(c2[nH]cnc2c1)Br 1458a_100160537366_200000210301 [0,1,0,0,1,0|2,0,0]=4 2503 B14R2.8824 CC(=O)c1cc(c2[nH]ncc2c1)C 1458a_100009884628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2504 B14R2.8824 CC(=O)c1cc(c2cc[nH]c2c1)Br 1458a_100102525212_200000210301 [0,1,0,0,1,0|1,0,0]=3 2505 B14R2.8824 CC(=O)c1cc(c2cc[nH]c2c1)C 1458a_200015282437_200000210301 [0,1,0,0,1,0|1,0,0]=3 2506 B14R2.8824 CC(=O)c1cc(c2cc[nH]c2c1)Cl 1458a_100000086644_200000210301 [0,1,0,0,1,0|1,0,0]=3 2507 B14R2.8824 CC(=O)c1cc(c2cc[nH]c2c1)F 1458a_100000086646_200000210301 [0,1,0,0,1,0|1,0,0]=3 2508 B14R2.8824 CC(=O)c1cc(c2cn[nH]c2c1)Br 1458a_100102524947_200000210301 [0,1,0,0,1,0|2,0,0]=4 2509 B14R2.8824 CC(=O)c1cc(c2cn[nH]c2c1)Cl 1458a_200000086664_200000210301 [0,1,0,0,1,0|2,0,0]=4 2510 B14R2.8824 CC(=O)c1cc(c2cn[nH]c2c1)F 1458a_100000086653_200000210301 [0,1,0,0,1,0|2,0,0]=4 2511 B14R2.8824 Cc1cc(cc2c1[nH]cc2)C(=O)[13CH3] 1458a_100009883529_200025704644 [0,1,0,0,1,0|1,0,0]=3 2512 B14R2.8824 Cc1cc(cc2c1[nH]nc2)C(=O)[13CH3] 1458a_100009884628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2513 B14R2.8824 Cc1cc(cc2c1cc[nH]2)C(=O)[13CH3] 1458a_200015282437_200025704644 [0,1,0,0,1,0|1,0,0]=3 2514 B14R2.8824 [13CH3]C(=O)c1cc(c2[nH]cnc2c1)Br 1458a_100160537366_200025704644 [0,1,0,0,1,0|2,0,0]=4 2515 B14R2.8824 [13CH3]C(=O)c1cc(c2cc[nH]c2c1)Br 1458a_100102525212_200025704644 [0,1,0,0,1,0|1,0,0]=3 2516 B14R2.8824 [13CH3]C(=O)c1cc(c2cc[nH]c2c1)Cl 1458a_100000086644_200025704644 [0,1,0,0,1,0|1,0,0]=3 2517 B14R2.8824 [13CH3]C(=O)c1cc(c2cc[nH]c2c1)F 1458a_100000086646_200025704644 [0,1,0,0,1,0|1,0,0]=3 2518 B14R2.8824 [13CH3]C(=O)c1cc(c2cn[nH]c2c1)Br 1458a_100102524947_200025704644 [0,1,0,0,1,0|2,0,0]=4 2519 B14R2.8824 [13CH3]C(=O)c1cc(c2cn[nH]c2c1)Cl 1458a_200000086664_200025704644 [0,1,0,0,1,0|2,0,0]=4 2520 B14R2.8824 [13CH3]C(=O)c1cc(c2cn[nH]c2c1)F 1458a_100000086653_200025704644 [0,1,0,0,1,0|2,0,0]=4 2521 B14R2.24358 C=C(C)c1ccc2[nH]cc(c2c1)C 271570a_100000694244_100009816687 [0,1,0,0,1,0|2,0,0]=4 2522 B14R2.24358 C=C(C)c1ccc2ccn(c2c1)C 271570a_100000694244_100011934912 [0,1,0,0,1,0|2,0,0]=4 2523 B14R2.24358 C=C(C)c1ccc2occ(c2c1)C 271570a_100000694244_100000728893 [0,1,0,0,1,0|2,0,0]=4 2524 B14R2.24358 C=C(C)c1ccc2scc(c2c1)C 271570a_100000694244_100009814196 [0,1,0,0,1,0|2,0,0]=4 2525 B14R2.24358 CC(=O)c1ccc2[nH]cc(c2c1)Br 1458a_200009816265_200000210301 [0,1,0,0,1,0|1,0,0]=3 2526 B14R2.24358 CC(=O)c1ccc2[nH]nc(c2c1)Br 1458a_100009816877_200000210301 [0,1,0,0,1,0|2,0,0]=4 2527 B14R2.24358 CC(=O)c1ccc2[nH]nc(c2c1)C 1458a_100009884726_200000210301 [0,1,0,0,1,0|2,0,0]=4 2528 B14R2.24358 CC(=O)c1ccc2[nH]nc(c2c1)I 1458a_100010186040_200000210301 [0,1,0,0,1,0|2,0,0]=4 2529 B14R2.24358 CC(=O)c1ccc2ccn(c2c1)C 1458a_100011912540_200000210301 [0,1,0,0,1,0|1,0,0]=3 2530 B14R2.24358 CC(=O)c1ccc2cnn(c2c1)C 1458a_100000101029_200000210301 [0,1,0,0,1,0|2,0,0]=4 2531 B14R2.24358 CC(=O)c1ccc2ncn(c2c1)C 1458a_100012001983_200000210301 [0,1,0,0,1,0|2,0,0]=4 2532 B14R2.24358 CC(=O)c1ccc2onc(c2c1)C 1458a_200010977551_200000210301 [0,1,0,0,1,0|2,0,0]=4 2533 B14R2.24358 Cc1n[nH]c2c1cc(cc2)C(=O)[13CH3] 1458a_100009884726_200025704644 [0,1,0,0,1,0|2,0,0]=4 2534 B14R2.24358 Cc1noc2c1cc(cc2)C(=O)[13CH3] 1458a_200010977551_200025704644 [0,1,0,0,1,0|2,0,0]=4 2535 B14R2.24358 Cn1ccc2c1cc(cc2)C(=O)[13CH3] 1458a_100011912540_200025704644 [0,1,0,0,1,0|1,0,0]=3 2536 B14R2.24358 Cn1cnc2c1cc(cc2)C(=O)[13CH3] 1458a_100012001983_200025704644 [0,1,0,0,1,0|2,0,0]=4 2537 B14R2.24358 Cn1ncc2c1cc(cc2)C(=O)[13CH3] 1458a_100000101029_200025704644 [0,1,0,0,1,0|2,0,0]=4 2538 B14R2.24358 [13CH3]C(=O)c1ccc2[nH]cc(c2c1)Br 1458a_200009816265_200025704644 [0,1,0,0,1,0|1,0,0]=3 2539 B14R2.24358 [13CH3]C(=O)c1ccc2[nH]nc(c2c1)Br 1458a_100009816877_200025704644 [0,1,0,0,1,0|2,0,0]=4 2540 B14R2.24358 [13CH3]C(=O)c1ccc2[nH]nc(c2c1)I 1458a_100010186040_200025704644 [0,1,0,0,1,0|2,0,0]=4 2541 B14R2.450 C=C(C)c1sc2ccccc2c1C 271570a_100000694244_200010198769 [0,1,0,0,1,0|2,0,0]=4 2542 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,1,0,0,1,0|0,0,1]=3 2543 B14R2.450 CC(=O)C1Cc2ccccc2C1=O 1458a_100000070787_100011218503 [0,1,0,0,1,0|0,0,2]=4 2544 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,1,0,0,1,0|0,0,1]=3 2545 B14R2.972 CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210202 [0,1,0,0,1,0|0,0,1]=3 2546 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 11a_106832991635_100009862756 [0,1,0,0,1,0|0,0,1]=3 2547 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 1626a_100102657272_100009862756 [0,1,0,0,1,0|0,0,1]=3 2548 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 240690a_100102657272_100009862756 [0,1,0,0,1,0|0,0,1]=3 2549 B14R2.972 O=C(CF)C1=Cc2ccccc2C1 1458a_100009862756_100015361967 [0,1,0,0,1,0|0,0,1]=3 2550 B14R2.4529 C=C(C)c1cc2cc(ccc2[nH]1)Br 271570a_100000694244_100011012855 [0,1,0,0,1,0|2,0,0]=4 2551 B14R2.4529 C=C(C)c1cc2cc(ccc2s1)Br 271570a_100000694244_200010198765 [0,1,0,0,1,0|2,0,0]=4 2552 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,1,0,0,1,0|1,0,0]=3 2553 B14R2.4529 CC(=O)c1nc2ccc(cc2[nH]1)O 271570a_203496583355_200011795181 [0,1,0,0,1,0|2,0,0]=4 2554 B14R2.4529 CC(=O)n1cc2cc(ccc2n1)O 271570a_203496583355_100010240164 [0,1,0,0,1,0|2,0,0]=4 2555 B14R2.4529 CC(=O)n1cc2ccc(cc2n1)O 271570a_203496583355_100010184422 [0,1,0,0,1,0|2,0,0]=4 2556 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,1,0,0,1,0|2,0,0]=4 2557 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,1,0,0,1,0|2,0,0]=4 2558 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,1,0,0,1,0|2,0,0]=4 2559 B14R2.7969 C=C(C)c1cc2cccc(c2[nH]1)Br 271570a_100000694244_100135389745 [0,1,0,0,1,0|2,0,0]=4 2560 B14R2.7969 CC(=O)c1cc2cccc(c2o1)O 271570a_203496583355_100011280056 [0,1,0,0,1,0|1,0,0]=3 2561 B14R2.7969 NC(=O)c1cc2cccc(c2s1)O 271570a_203496583355_100020879177 [0,1,0,0,1,0|2,0,0]=4 2562 B16R2.1213 CCC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100000210202 [0,1,0,0,0,1|0,0,0]=2 2563 B16R2.1213 CNC(=O)C1=Cc2ccccc2OC=C1 11a_106832991635_200000089061 [0,1,0,0,0,1|0,0,0]=2 2564 B16R2.1213 CNC(=O)C1=Cc2ccccc2OC=C1 1626a_100102657272_200000089061 [0,1,0,0,0,1|0,0,0]=2 2565 B16R2.1213 CNC(=O)C1=Cc2ccccc2OC=C1 240690a_100102657272_200000089061 [0,1,0,0,0,1|0,0,0]=2 2566 B16R2.1213 O=C(CF)C1=Cc2ccccc2OC=C1 1458a_200000089061_100015361967 [0,1,0,0,0,1|0,0,0]=2 2567 B16R2.3989 CC(=Cc1cc2ccccc2cc1Br)C 271570a_100102525489_200010169544 [0,1,0,0,0,1|1,0,0]=3 2568 B16R2.3989 CC(=Cc1cc2ccccc2cc1Cl)C 271570a_100102525489_100010152806 [0,1,0,0,0,1|1,0,0]=3 2569 B16R2.3989 CC(=Cc1cc2ccccc2cc1N)C 271570a_100102525489_100009991566 [0,1,0,0,0,1|1,0,0]=3 2570 B16R2.3989 CC(=Cc1cc2ccccc2cc1O)C 271570a_100102525489_100009817189 [0,1,0,0,0,1|1,0,0]=3 2571 B16R2.3989 CC(=Cc1cc2ccccc2nc1Cl)C 271570a_100102525489_100010220712 [0,1,0,0,0,1|2,0,0]=4 2572 B16R2.3989 CC(=Cc1cc2ccccc2nc1F)C 271570a_100102525489_100011158909 [0,1,0,0,0,1|2,0,0]=4 2573 B16R2.3989 CC(=Cc1cc2ccccc2nc1N)C 271570a_100102525489_100010135404 [0,1,0,0,0,1|2,0,0]=4 2574 B16R2.3989 CC(=Cc1cc2ccccc2nc1O)C 271570a_100102525489_200009820883 [0,1,0,0,0,1|2,0,0]=4 2575 B16R2.3989 CC(=Cc1cc2ccccc2oc1=O)C 271570a_100102525489_200000187772 [0,1,0,0,0,1|2,0,0]=4 2576 B16R2.3989 CC(=Cc1cc2cccnc2cc1C)C 271570a_100102525489_100010137429 [0,1,0,0,0,1|2,0,0]=4 2577 B16R2.3989 CC(=Cc1cc2cccnc2cc1F)C 271570a_100102525489_100009854028 [0,1,0,0,0,1|2,0,0]=4 2578 B16R2.3989 CC(=Cc1cc2ccncc2cc1F)C 271570a_100102525489_100011105921 [0,1,0,0,0,1|2,0,0]=4 2579 B16R2.3989 CC(=Cc1cc2cnccc2cc1F)C 271570a_100102525489_100010244713 [0,1,0,0,0,1|2,0,0]=4 2580 B16R2.3989 CC(=Cc1cc2ncccc2cc1O)C 271570a_100102525489_200010153759 [0,1,0,0,0,1|2,0,0]=4 2581 B16R2.3989 CC(=Cc1nc2ccccc2cc1Br)C 271570a_100102525489_100010072790 [0,1,0,0,0,1|2,0,0]=4 2582 B16R2.3989 CC(=Cc1nc2ccccc2cc1C)C 271570a_100102525489_100000751756 [0,1,0,0,0,1|2,0,0]=4 2583 B16R2.3989 CC(=Cc1nc2ccccc2cc1O)C 271570a_100102525489_200000100762 [0,1,0,0,0,1|2,0,0]=4 2584 B16R2.3989 CC(=O)Cc1cc2ccccc2nc1Cl 1458a_100000070787_100000189640 [0,1,0,0,0,1|1,0,0]=3 2585 B16R2.3989 CC(=O)Cc1nc2ccccc2[nH]c1=O 1458a_100000070787_100000736137 [0,1,0,0,0,1|2,0,0]=4 2586 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1Br 11a_100009991566_100015343762 [0,1,0,0,0,1|0,0,0]=2 2587 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1Br 1626a_100009991566_100015343762 [0,1,0,0,0,1|0,0,0]=2 2588 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1I 11a_100009892810_100015343762 [0,1,0,0,0,1|0,0,0]=2 2589 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1I 1626a_100009892810_100015343762 [0,1,0,0,0,1|0,0,0]=2 2590 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1O 22a_106744474703_100000070787 [0,1,0,0,0,1|0,0,0]=2 2591 B16R2.3989 CC(=O)Nc1cc2ccccc2cc1O 527a_106744474703_100103153847 [0,1,0,0,0,1|0,0,0]=2 2592 B16R2.3989 CC(C)Nc1cc2ccccc2cc1Br 34a_100009991566_100000210206 [0,1,0,0,0,1|1,0,1]=4 2593 B16R2.3989 CC(C)Nc1cc2ccccc2cc1Br 7a_100009991566_100000210206 [0,1,0,0,0,1|1,0,1]=4 2594 B16R2.3989 CC(C)Oc1cc2ccccc2cc1Br 34a_100009817189_100000210206 [0,1,0,0,0,1|1,0,1]=4 2595 B16R2.3989 CC(C)Oc1cc2ccccc2cc1Br 7a_100009817189_100000210206 [0,1,0,0,0,1|1,0,1]=4 2596 B16R2.3989 CC(C)Oc1cc2ccccc2cc1N 34a_106744474703_100000210206 [0,1,0,0,0,1|1,0,1]=4 2597 B16R2.3989 CC(C)Oc1cc2ccccc2cc1N 7a_106744474703_100000210206 [0,1,0,0,0,1|1,0,1]=4 2598 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Br 62a_100000210206_200010169544 [0,1,0,0,0,1|1,0,1]=4 2599 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Br 62a_200010169544_100000210206 [0,1,0,0,0,1|1,0,1]=4 2600 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Cl 62a_100000210206_100010152806 [0,1,0,0,0,1|1,0,1]=4 2601 B16R2.3989 CC(C)Sc1cc2ccccc2cc1Cl 62a_100010152806_100000210206 [0,1,0,0,0,1|1,0,1]=4 2602 B16R2.3989 CC(C)Sc1cc2ccccc2cc1N 62a_100000210206_100009991566 [0,1,0,0,0,1|1,0,1]=4 2603 B16R2.3989 CC(C)Sc1cc2ccccc2cc1N 62a_100009991566_100000210206 [0,1,0,0,0,1|1,0,1]=4 2604 B16R2.3989 CC(C)Sc1cc2ccccc2cc1O 62a_100000210206_100009817189 [0,1,0,0,0,1|1,0,1]=4 2605 B16R2.3989 Cc1cc2ccccc2cc1OC(C)C 34a_100000091601_100000210206 [0,1,0,0,0,1|1,0,1]=4 2606 B16R2.3989 Cc1cc2ccccc2cc1OC(C)C 7a_100000091601_100000210206 [0,1,0,0,0,1|1,0,1]=4 2607 B16R2.5347 C#CC(=O)Cc1cc2ccccc2cn1 1458a_100000211873_100009869231 [0,1,0,0,0,1|1,0,1]=4 2608 B16R2.5347 C#CC(=O)Cc1ccc2ccccc2c1 1458a_100000211873_100011216711 [0,1,0,0,0,1|0,0,1]=3 2609 B16R2.5347 C#CC(=O)Cc1ccc2ccccc2n1 1458a_100000211873_100000737579 [0,1,0,0,0,1|1,0,1]=4 2610 B16R2.5347 C#CC(=O)Cc1ccc2cnccc2c1 1458a_100000211873_100020605334 [0,1,0,0,0,1|1,0,1]=4 2611 B16R2.5347 C#CC(=O)Cc1ccc2ncccc2c1 1458a_100000211873_100000703657 [0,1,0,0,0,1|1,0,1]=4 2612 B16R2.5347 C#CC(C)Nc1ccc2ccccc2c1 34a_100000211940_200000035995 [0,1,0,0,0,1|1,0,1]=4 2613 B16R2.5347 C#CC(C)Oc1ccc2ccccc2c1 34a_100000185828_200000035995 [0,1,0,0,0,1|1,0,1]=4 2614 B16R2.5347 C#CC(C)Sc1ccc2ccccc2c1 62a_200000035995_100000233703 [0,1,0,0,0,1|1,0,1]=4 2615 B16R2.5347 C=CC(=O)Cc1cc2ccccc2cn1 1458a_100000185746_100009869231 [0,1,0,0,0,1|1,0,1]=4 2616 B16R2.5347 C=CC(=O)Cc1ccc2ccccc2c1 1458a_100000185746_100011216711 [0,1,0,0,0,1|0,0,1]=3 2617 B16R2.5347 C=CC(=O)Cc1ccc2ccccc2n1 1458a_100000185746_100000737579 [0,1,0,0,0,1|1,0,1]=4 2618 B16R2.5347 C=CC(=O)Cc1ccc2cnccc2c1 1458a_100000185746_100020605334 [0,1,0,0,0,1|1,0,1]=4 2619 B16R2.5347 C=CC(=O)Cc1ccc2ncccc2c1 1458a_100000185746_100000703657 [0,1,0,0,0,1|1,0,1]=4 2620 B16R2.5347 C=CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000185746 [0,1,0,0,0,1|0,0,1]=3 2621 B16R2.5347 C=CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000185746 [0,1,0,0,0,1|0,0,1]=3 2622 B16R2.5347 C=CC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000185746 [0,1,0,0,0,1|1,0,1]=4 2623 B16R2.5347 C=CC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000185746 [0,1,0,0,0,1|1,0,1]=4 2624 B16R2.5347 C=CC(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100000185746 [0,1,0,0,0,1|1,0,1]=4 2625 B16R2.5347 C=CC(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000185746 [0,1,0,0,0,1|1,0,1]=4 2626 B16R2.5347 C=CC(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100000185746 [0,1,0,0,0,1|1,0,1]=4 2627 B16R2.5347 C=CC(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000185746 [0,1,0,0,0,1|1,0,1]=4 2628 B16R2.5347 C=CC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000185746 [0,1,0,0,0,1|1,0,1]=4 2629 B16R2.5347 C=CC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000185746 [0,1,0,0,0,1|1,0,1]=4 2630 B16R2.5347 C=CC(C)Sc1ccc2ccccc2c1 62a_100011215867_100000233703 [0,1,0,0,0,1|1,0,1]=4 2631 B16R2.5347 CC(C#N)Nc1ccc2ccccc2c1 7a_100000211940_100000703298 [0,1,0,0,0,1|1,0,1]=4 2632 B16R2.5347 CC(C#N)Oc1ccc2ccccc2c1 7a_100000185828_100000703298 [0,1,0,0,0,1|1,0,1]=4 2633 B16R2.5347 CC(C#N)Sc1ccc2ccccc2c1 62a_100000703298_100000233703 [0,1,0,0,0,1|1,0,1]=4 2634 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 34a_100000211940_100012180447 [0,1,0,0,0,1|0,0,2]=4 2635 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 7a_100000211940_100012180447 [0,1,0,0,0,1|0,0,2]=4 2636 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 34a_100000185828_100012180447 [0,1,0,0,0,1|0,0,2]=4 2637 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 7a_100000185828_100012180447 [0,1,0,0,0,1|0,0,2]=4 2638 B16R2.5347 CC(CO)Sc1ccc2ccccc2c1 62a_100012180447_100000233703 [0,1,0,0,0,1|0,0,2]=4 2639 B16R2.5347 CCC(=O)Cc1cc2ccccc2cn1 1458a_100000210414_100009869231 [0,1,0,0,0,1|1,0,0]=3 2640 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210202 [0,1,0,0,0,1|0,0,0]=2 2641 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000210414_100011216711 [0,1,0,0,0,1|0,0,0]=2 2642 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 1458a_100000210414_100000737579 [0,1,0,0,0,1|1,0,0]=3 2643 B16R2.5347 CCC(=O)Cc1ccc2cnccc2c1 1458a_100000210414_100020605334 [0,1,0,0,0,1|1,0,0]=3 2644 B16R2.5347 CCC(=O)Cc1ccc2ncccc2c1 1458a_100000210414_100000703657 [0,1,0,0,0,1|1,0,0]=3 2645 B16R2.5347 CCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210202 [0,1,0,0,0,1|1,0,0]=3 2646 B16R2.5347 CCC(=O)Cc1ccc2nccnc2c1 1458a_100000210414_200011762199 [0,1,0,0,0,1|2,0,0]=4 2647 B16R2.5347 CCC(=O)Cc1cnc2ccccc2n1 1458a_100000210414_200000751123 [0,1,0,0,0,1|2,0,0]=4 2648 B16R2.5347 CCC(=O)Cc1ncc2ccccc2n1 1458a_100000210414_100009868571 [0,1,0,0,0,1|2,0,0]=4 2649 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210414 [0,1,0,0,0,1|0,0,0]=2 2650 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210414 [0,1,0,0,0,1|0,0,0]=2 2651 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210414 [0,1,0,0,0,1|0,0,0]=2 2652 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210414 [0,1,0,0,0,1|0,0,0]=2 2653 B16R2.5347 CCC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100000210414 [0,1,0,0,0,1|1,0,0]=3 2654 B16R2.5347 CCC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000210414 [0,1,0,0,0,1|1,0,0]=3 2655 B16R2.5347 CCC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000210414 [0,1,0,0,0,1|1,0,0]=3 2656 B16R2.5347 CCC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100000210414 [0,1,0,0,0,1|1,0,0]=3 2657 B16R2.5347 CCC(=O)Nc1ccc2ccncc2c1 11a_100000069342_100000210414 [0,1,0,0,0,1|1,0,0]=3 2658 B16R2.5347 CCC(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100000210414 [0,1,0,0,0,1|1,0,0]=3 2659 B16R2.5347 CCC(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000210414 [0,1,0,0,0,1|1,0,0]=3 2660 B16R2.5347 CCC(=O)Nc1ccc2ccncc2c1 527a_100000069342_100000210414 [0,1,0,0,0,1|1,0,0]=3 2661 B16R2.5347 CCC(=O)Nc1ccc2cnccc2c1 11a_100000039641_100000210414 [0,1,0,0,0,1|1,0,0]=3 2662 B16R2.5347 CCC(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100000210414 [0,1,0,0,0,1|1,0,0]=3 2663 B16R2.5347 CCC(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000210414 [0,1,0,0,0,1|1,0,0]=3 2664 B16R2.5347 CCC(=O)Nc1ccc2cnccc2c1 527a_100000039641_100000210414 [0,1,0,0,0,1|1,0,0]=3 2665 B16R2.5347 CCC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100000210414 [0,1,0,0,0,1|1,0,0]=3 2666 B16R2.5347 CCC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000210414 [0,1,0,0,0,1|1,0,0]=3 2667 B16R2.5347 CCC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000210414 [0,1,0,0,0,1|1,0,0]=3 2668 B16R2.5347 CCC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100000210414 [0,1,0,0,0,1|1,0,0]=3 2669 B16R2.5347 CCC(=O)Nc1ccc2nccnc2c1 11a_100011219565_100000210414 [0,1,0,0,0,1|2,0,0]=4 2670 B16R2.5347 CCC(=O)Nc1ccc2nccnc2c1 1626a_100011219565_100000210414 [0,1,0,0,0,1|2,0,0]=4 2671 B16R2.5347 CCC(=O)Nc1ccc2nccnc2c1 22a_100011219565_100000210414 [0,1,0,0,0,1|2,0,0]=4 2672 B16R2.5347 CCC(=O)Nc1ccc2nccnc2c1 527a_100011219565_100000210414 [0,1,0,0,0,1|2,0,0]=4 2673 B16R2.5347 CCC(=O)Nc1ccc2ncncc2c1 11a_100000099906_100000210414 [0,1,0,0,0,1|2,0,0]=4 2674 B16R2.5347 CCC(=O)Nc1ccc2ncncc2c1 1626a_100000099906_100000210414 [0,1,0,0,0,1|2,0,0]=4 2675 B16R2.5347 CCC(=O)Nc1ccc2ncncc2c1 22a_100000099906_100000210414 [0,1,0,0,0,1|2,0,0]=4 2676 B16R2.5347 CCC(=O)Nc1ccc2ncncc2c1 527a_100000099906_100000210414 [0,1,0,0,0,1|2,0,0]=4 2677 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 34a_100000211940_100011215416 [0,1,0,0,0,1|1,0,1]=4 2678 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000758301 [0,1,0,0,0,1|1,0,1]=4 2679 B16R2.5347 CCC(C)Oc1ccc2ccccc2c1 34a_100000185828_100011215416 [0,1,0,0,0,1|1,0,1]=4 2680 B16R2.5347 CCC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000758301 [0,1,0,0,0,1|1,0,1]=4 2681 B16R2.5347 CCC(C)Sc1ccc2ccccc2c1 62a_100000758301_100000233703 [0,1,0,0,0,1|1,0,1]=4 2682 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210202 [0,1,0,0,0,1|2,0,0]=4 2683 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000201282_200000210301 [0,1,0,0,0,1|2,0,0]=4 2684 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000225621_100011216711 [0,1,0,0,0,1|2,0,0]=4 2685 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000204670 [0,1,0,0,0,1|2,0,0]=4 2686 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000201282_200000210301 [0,1,0,0,0,1|2,0,0]=4 2687 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000225621_100011216711 [0,1,0,0,0,1|2,0,0]=4 2688 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 2230a_100000201282_200025704644 [0,1,0,0,0,1|2,0,0]=4 2689 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 269982a_100000201282_200025704644 [0,1,0,0,0,1|2,0,0]=4 2690 B16R2.5347 CN(CF)Cc1ccc2ccccc2c1 269982a_100000185194_100015361967 [0,1,0,0,0,1|2,0,0]=4 2691 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 11a_106832991635_100000181716 [0,1,0,0,0,1|0,0,0]=2 2692 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 1626a_100102657272_100000181716 [0,1,0,0,0,1|0,0,0]=2 2693 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 240690a_100102657272_100000181716 [0,1,0,0,0,1|0,0,0]=2 2694 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 527a_100102657272_100000181716 [0,1,0,0,0,1|0,0,0]=2 2695 B16R2.5347 CNC(=O)Cc1ccc2ncccc2c1 11a_106832991635_100011218584 [0,1,0,0,0,1|1,0,0]=3 2696 B16R2.5347 CNC(=O)Cc1ccc2ncccc2c1 240690a_100102657272_100011218584 [0,1,0,0,0,1|1,0,0]=3 2697 B16R2.5347 CNC(=O)Cc1ccc2ncccc2c1 527a_100102657272_100011218584 [0,1,0,0,0,1|1,0,0]=3 2698 B16R2.5347 CNC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100102657272 [0,1,0,0,0,1|0,0,0]=2 2699 B16R2.5347 CNC(=O)Nc1ccc2cccnc2c1 2430a_100102887122_100102657272 [0,1,0,0,0,1|1,0,0]=3 2700 B16R2.5347 CNC(=O)Nc1ccc2ccncc2c1 2430a_100000069342_100102657272 [0,1,0,0,0,1|1,0,0]=3 2701 B16R2.5347 CNC(=O)Nc1ccc2cnccc2c1 2430a_100000039641_100102657272 [0,1,0,0,0,1|1,0,0]=3 2702 B16R2.5347 COC(C)Sc1ccc2ccccc2c1 62a_100009879195_100000233703 [0,1,0,0,0,1|0,0,2]=4 2703 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2c1 62a_100016084084_100000233703 [0,1,0,0,0,1|0,0,2]=4 2704 B16R2.5347 O=C(CF)Cc1ccc2ccccc2c1 1458a_100000181716_100015361967 [0,1,0,0,0,1|0,0,0]=2 2705 B16R2.5347 O=C(CF)Cc1ccc2ncccc2c1 1458a_100011218584_100015361967 [0,1,0,0,0,1|1,0,0]=3 2706 B16R2.5347 O=C(CO)Cc1cc2ccccc2cn1 1458a_100000210174_100009869231 [0,1,0,0,0,1|1,0,0]=3 2707 B16R2.5347 O=C(CO)Cc1ccc2ccccc2c1 1458a_100000210174_100011216711 [0,1,0,0,0,1|0,0,0]=2 2708 B16R2.5347 O=C(CO)Cc1ccc2ccccc2n1 1458a_100000210174_100000737579 [0,1,0,0,0,1|1,0,0]=3 2709 B16R2.5347 O=C(CO)Cc1ccc2cnccc2c1 1458a_100000210174_100020605334 [0,1,0,0,0,1|1,0,0]=3 2710 B16R2.5347 O=C(CO)Cc1ccc2ncccc2c1 1458a_100000210174_100000703657 [0,1,0,0,0,1|1,0,0]=3 2711 B16R2.5347 O=C(CO)Cc1ccc2nccnc2c1 1458a_100000210174_200011762199 [0,1,0,0,0,1|2,0,0]=4 2712 B16R2.5347 O=C(CO)Cc1cnc2ccccc2n1 1458a_100000210174_200000751123 [0,1,0,0,0,1|2,0,0]=4 2713 B16R2.5347 O=C(CO)Cc1ncc2ccccc2n1 1458a_100000210174_100009868571 [0,1,0,0,0,1|2,0,0]=4 2714 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 22a_100000211940_100000210174 [0,1,0,0,0,1|0,0,0]=2 2715 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 527a_100000211940_100000210174 [0,1,0,0,0,1|0,0,0]=2 2716 B16R2.5347 O=C(CO)Nc1ccc2cccnc2c1 22a_100102887122_100000210174 [0,1,0,0,0,1|1,0,0]=3 2717 B16R2.5347 O=C(CO)Nc1ccc2cccnc2c1 527a_100102887122_100000210174 [0,1,0,0,0,1|1,0,0]=3 2718 B16R2.5347 O=C(CO)Nc1ccc2ccncc2c1 22a_100000069342_100000210174 [0,1,0,0,0,1|1,0,0]=3 2719 B16R2.5347 O=C(CO)Nc1ccc2ccncc2c1 527a_100000069342_100000210174 [0,1,0,0,0,1|1,0,0]=3 2720 B16R2.5347 O=C(CO)Nc1ccc2cnccc2c1 22a_100000039641_100000210174 [0,1,0,0,0,1|1,0,0]=3 2721 B16R2.5347 O=C(CO)Nc1ccc2cnccc2c1 527a_100000039641_100000210174 [0,1,0,0,0,1|1,0,0]=3 2722 B16R2.5347 O=C(CO)Nc1ccc2ncccc2c1 22a_100011198106_100000210174 [0,1,0,0,0,1|1,0,0]=3 2723 B16R2.5347 O=C(CO)Nc1ccc2ncccc2c1 527a_100011198106_100000210174 [0,1,0,0,0,1|1,0,0]=3 2724 B16R2.5347 O=C(CO)Nc1ccc2nccnc2c1 22a_100011219565_100000210174 [0,1,0,0,0,1|2,0,0]=4 2725 B16R2.5347 O=C(CO)Nc1ccc2nccnc2c1 527a_100011219565_100000210174 [0,1,0,0,0,1|2,0,0]=4 2726 B16R2.5347 O=C(CO)Nc1ccc2ncncc2c1 22a_100000099906_100000210174 [0,1,0,0,0,1|2,0,0]=4 2727 B16R2.5347 O=C(CO)Nc1ccc2ncncc2c1 527a_100000099906_100000210174 [0,1,0,0,0,1|2,0,0]=4 2728 B16R2.6284 CC(=C(C)c1cc2ccccc2cn1)C 271570a_200000049429_100000047361 [0,1,0,0,0,1|2,0,0]=4 2729 B16R2.6284 CC(=C(C)c1ccc2ccccc2c1)C 271570a_200000049429_100000233703 [0,1,0,0,0,1|1,0,0]=3 2730 B16R2.6284 CC(=C(C)c1ccc2ccccc2n1)C 271570a_200000049429_100011291633 [0,1,0,0,0,1|2,0,0]=4 2731 B16R2.6284 CC(=C(C)c1ccc2cccnc2c1)C 271570a_200000049429_100009816655 [0,1,0,0,0,1|2,0,0]=4 2732 B16R2.6284 CC(=C(C)c1ccc2ccncc2c1)C 271570a_200000049429_100000686496 [0,1,0,0,0,1|2,0,0]=4 2733 B16R2.6284 CC(=C(C)c1ccc2cnccc2c1)C 271570a_200000049429_100009816743 [0,1,0,0,0,1|2,0,0]=4 2734 B16R2.6284 CC(=C(C)c1ccc2ncccc2c1)C 271570a_200000049429_100000754243 [0,1,0,0,0,1|2,0,0]=4 2735 B16R2.6284 CC(=C(C)c1cnc2ccccc2c1)C 271570a_200000049429_100000737414 [0,1,0,0,0,1|2,0,0]=4 2736 B16R2.6284 CC(=O)N(C)c1ccc2ccccc2c1 11a_100000181211_100015343762 [0,1,0,0,0,1|0,0,0]=2 2737 B16R2.6284 CC(=O)N(C)c1ccc2ccccc2c1 1626a_100000181211_100015343762 [0,1,0,0,0,1|0,0,0]=2 2738 B16R2.6284 CC(=O)N(C)c1ccc2ccccc2c1 22a_100000181211_100000070787 [0,1,0,0,0,1|0,0,0]=2 2739 B16R2.6284 CC(=O)N(C)c1ccc2ccccc2c1 527a_100000181211_100103153847 [0,1,0,0,0,1|0,0,0]=2 2740 B16R2.6284 CC(C)C(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210206 [0,1,0,0,0,1|1,0,1]=4 2741 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 2230a_100000181211_100000210206 [0,1,0,0,0,1|1,0,1]=4 2742 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 269982a_100000181211_100000210206 [0,1,0,0,0,1|1,0,1]=4 2743 B16R2.6284 CC(C)N(C)c1ccc2ccccc2c1 34a_100000181211_100000210206 [0,1,0,0,0,1|1,0,1]=4 2744 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)C 2230a_100000744356_200000210301 [0,1,0,0,0,1|2,0,0]=4 2745 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)C 269982a_100000744356_200000210301 [0,1,0,0,0,1|2,0,0]=4 2746 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)[13CH3] 2230a_100000744356_200025704644 [0,1,0,0,0,1|2,0,0]=4 2747 B16R2.6284 CC(c1ccc2ccccc2c1)N(C)[13CH3] 269982a_100000744356_200025704644 [0,1,0,0,0,1|2,0,0]=4 2748 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 11a_100102631434_100000210637 [0,1,0,0,0,1|2,0,0]=4 2749 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 1626a_100102631434_100000210637 [0,1,0,0,0,1|2,0,0]=4 2750 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 240690a_100102631434_100000210637 [0,1,0,0,0,1|2,0,0]=4 2751 B16R2.6284 CN(C)C(=O)c1ccc2ccccc2c1 527a_100102631434_100000210637 [0,1,0,0,0,1|2,0,0]=4 2752 B16R2.11975 CC(=Cc1cc2cc(ccc2cn1)F)C 271570a_100102525489_100009828686 [0,1,0,0,0,1|2,0,0]=4 2753 B16R2.11975 CC(=Cc1ccc2cc[n+](cc2c1)[O-])C 271570a_100102525489_100009816120 [0,1,0,0,0,1|2,0,0]=4 2754 B16R2.11975 CC(=Cc1ccc2ccc(=O)oc2c1)C 271570a_100102525489_100009993525 [0,1,0,0,0,1|2,0,0]=4 2755 B16R2.11975 CC(=Cc1ccc2ccc(cc2c1)N)C 271570a_100102525489_100010090036 [0,1,0,0,0,1|1,0,0]=3 2756 B16R2.11975 CC(=Cc1ccc2ccc(cc2c1)O)C 271570a_100102525489_100009816537 [0,1,0,0,0,1|1,0,0]=3 2757 B16R2.11975 CC(=Cc1ccc2ccc(cc2n1)O)C 271570a_100102525489_100000079174 [0,1,0,0,0,1|2,0,0]=4 2758 B16R2.11975 CC(=Cc1ccc2ccc(nc2c1)C)C 271570a_100102525489_100009817087 [0,1,0,0,0,1|2,0,0]=4 2759 B16R2.11975 CC(=Cc1ccc2ccc(nc2c1)N)C 271570a_100102525489_100010187616 [0,1,0,0,0,1|2,0,0]=4 2760 B16R2.11975 CC(=Cc1ccc2ccc(nc2c1)O)C 271570a_100102525489_100000690401 [0,1,0,0,0,1|2,0,0]=4 2761 B16R2.11975 CC(=Cc1ccc2cnc(cc2c1)F)C 271570a_100102525489_100010291885 [0,1,0,0,0,1|2,0,0]=4 2762 B16R2.11975 CC(=Cc1ccc2cnc(cc2c1)N)C 271570a_100102525489_100009817123 [0,1,0,0,0,1|2,0,0]=4 2763 B16R2.11975 CC(=Cc1ccc2cnc(cc2c1)O)C 271570a_100102525489_100009817130 [0,1,0,0,0,1|2,0,0]=4 2764 B16R2.11975 CC(=Cc1ccc2ncc(cc2c1)Br)C 271570a_100102525489_200010254249 [0,1,0,0,0,1|2,0,0]=4 2765 B16R2.11975 CC(=Cc1ccc2ncc(cc2c1)C)C 271570a_100102525489_100009817055 [0,1,0,0,0,1|2,0,0]=4 2766 B16R2.11975 CC(=Cc1ccc2ncc(cc2c1)O)C 271570a_100102525489_100000703654 [0,1,0,0,0,1|2,0,0]=4 2767 B16R2.11975 CC(=Cc1cnc2ccc(cc2c1)Br)C 271570a_100102525489_100010740133 [0,1,0,0,0,1|2,0,0]=4 2768 B16R2.11975 CC(=Cc1cnc2ccc(cc2c1)C)C 271570a_100102525489_100015841224 [0,1,0,0,0,1|2,0,0]=4 2769 B16R2.11975 CC(=Cc1cnc2ccc(cc2c1)Cl)C 271570a_100102525489_100015929906 [0,1,0,0,0,1|2,0,0]=4 2770 B16R2.11975 CC(=Cc1cnc2ccc(cc2c1)N)C 271570a_100102525489_100009888932 [0,1,0,0,0,1|2,0,0]=4 2771 B16R2.11975 CC(=Cc1cnc2ccc(cc2c1)O)C 271570a_100102525489_100010137430 [0,1,0,0,0,1|2,0,0]=4 2772 B16R2.11975 CC(=O)Cc1ccc2ccc(cc2n1)Cl 1458a_100000070787_100010196396 [0,1,0,0,0,1|1,0,0]=3 2773 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)Br 11a_100010090036_100015343762 [0,1,0,0,0,1|0,0,0]=2 2774 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)Br 1626a_100010090036_100015343762 [0,1,0,0,0,1|0,0,0]=2 2775 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)Br 22a_100010090036_100000070787 [0,1,0,0,0,1|0,0,0]=2 2776 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)Br 527a_100010090036_100103153847 [0,1,0,0,0,1|0,0,0]=2 2777 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 1626a_100015378740_100015343762 [0,1,0,0,0,1|0,0,0]=2 2778 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 22a_100015378740_100000070787 [0,1,0,0,0,1|0,0,0]=2 2779 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O 527a_100015378740_100103153847 [0,1,0,0,0,1|0,0,0]=2 2780 B16R2.11975 CC(=O)Nc1ccc2ncc(cc2c1)Br 11a_100009888932_100015343762 [0,1,0,0,0,1|1,0,0]=3 2781 B16R2.11975 CC(=O)Nc1ccc2ncc(cc2c1)Br 1626a_100009888932_100015343762 [0,1,0,0,0,1|1,0,0]=3 2782 B16R2.11975 CC(=O)Nc1ccc2ncc(cc2c1)Br 22a_100009888932_100000070787 [0,1,0,0,0,1|1,0,0]=3 2783 B16R2.11975 CC(=O)Nc1ccc2ncc(cc2c1)Br 527a_100009888932_100103153847 [0,1,0,0,0,1|1,0,0]=3 2784 B16R2.11975 CC(=O)Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010116267 [0,1,0,0,0,1|1,0,0]=3 2785 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210206 [0,1,0,0,0,1|1,0,1]=4 2786 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210206 [0,1,0,0,0,1|1,0,1]=4 2787 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)O 34a_100015378740_100000210206 [0,1,0,0,0,1|1,0,1]=4 2788 B16R2.11975 CC(C)Nc1ccc2ccc(cc2c1)O 7a_100015378740_100000210206 [0,1,0,0,0,1|1,0,1]=4 2789 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210206 [0,1,0,0,0,1|1,0,1]=4 2790 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210206 [0,1,0,0,0,1|1,0,1]=4 2791 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)N 34a_100015378740_100000210206 [0,1,0,0,0,1|1,0,1]=4 2792 B16R2.11975 CC(C)Oc1ccc2ccc(cc2c1)N 7a_100015378740_100000210206 [0,1,0,0,0,1|1,0,1]=4 2793 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)N 62a_100000210206_100010090036 [0,1,0,0,0,1|1,0,1]=4 2794 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)N 62a_100010090036_100000210206 [0,1,0,0,0,1|1,0,1]=4 2795 B16R2.11975 CC(C)Sc1ccc2ccc(cc2c1)O 62a_100000210206_100009816537 [0,1,0,0,0,1|1,0,1]=4 2796 B16R2.11975 CN(C)Cc1ccc2ccc(cc2c1)Br 270004a_100102631434_100010200085 [0,1,0,0,0,1|2,0,0]=4 2797 B16R2.11975 Cc1ccc2ccc(cc2c1)OC(C)C 34a_100000091598_100000210206 [0,1,0,0,0,1|1,0,1]=4 2798 B16R2.11975 Cc1ccc2ccc(cc2c1)OC(C)C 7a_100000091598_100000210206 [0,1,0,0,0,1|1,0,1]=4 2799 B16R2.11988 CC(=Cc1ccc2[nH]c(=O)ccc2c1)C 271570a_100102525489_100011934725 [0,1,0,0,0,1|2,0,0]=4 2800 B16R2.11988 CC(=Cc1ccc2c[n+](ccc2c1)C)C 271570a_100102525489_100015191232 [0,1,0,0,0,1|2,0,0]=4 2801 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)Br)C 271570a_100102525489_100012344972 [0,1,0,0,0,1|1,0,0]=3 2802 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)F)C 271570a_100102525489_100009817052 [0,1,0,0,0,1|1,0,0]=3 2803 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)N)C 271570a_100102525489_100000185457 [0,1,0,0,0,1|1,0,0]=3 2804 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)O)C 271570a_100102525489_100000185455 [0,1,0,0,0,1|1,0,0]=3 2805 B16R2.11988 CC(=Cc1ccc2cc(ccc2n1)C)C 271570a_100102525489_100011865911 [0,1,0,0,0,1|2,0,0]=4 2806 B16R2.11988 CC(=Cc1ccc2cc(ccc2n1)F)C 271570a_100102525489_100011998705 [0,1,0,0,0,1|2,0,0]=4 2807 B16R2.11988 CC(=Cc1ccc2cc(ccc2n1)O)C 271570a_100102525489_100009849208 [0,1,0,0,0,1|2,0,0]=4 2808 B16R2.11988 CC(=Cc1ccc2cc(cnc2c1)Br)C 271570a_100102525489_200015509644 [0,1,0,0,0,1|2,0,0]=4 2809 B16R2.11988 CC(=Cc1ccc2cc(cnc2c1)C)C 271570a_100102525489_100010751441 [0,1,0,0,0,1|2,0,0]=4 2810 B16R2.11988 CC(=Cc1ccc2cc(cnc2c1)F)C 271570a_100102525489_100010751466 [0,1,0,0,0,1|2,0,0]=4 2811 B16R2.11988 CC(=Cc1ccc2cc(cnc2c1)N)C 271570a_100102525489_100010142226 [0,1,0,0,0,1|2,0,0]=4 2812 B16R2.11988 CC(=Cc1ccc2cc(ncc2c1)N)C 271570a_100102525489_100010232990 [0,1,0,0,0,1|2,0,0]=4 2813 B16R2.11988 CC(=Cc1ccc2nc(ccc2c1)C)C 271570a_100102525489_100000686635 [0,1,0,0,0,1|2,0,0]=4 2814 B16R2.11988 CC(=Cc1ccc2nc(ccc2c1)Cl)C 271570a_100102525489_200012034268 [0,1,0,0,0,1|2,0,0]=4 2815 B16R2.11988 CC(=Cc1ccc2nc(ccc2c1)N)C 271570a_100102525489_100011934619 [0,1,0,0,0,1|2,0,0]=4 2816 B16R2.11988 CC(=Cc1ccc2oc(=O)ccc2c1)C 271570a_100102525489_100009999946 [0,1,0,0,0,1|2,0,0]=4 2817 B16R2.11988 CC(=Cc1cnc2cc(ccc2c1)Cl)C 271570a_100102525489_100015716233 [0,1,0,0,0,1|2,0,0]=4 2818 B16R2.11988 CC(=Cc1cnc2cc(ccc2c1)N)C 271570a_100102525489_200010264087 [0,1,0,0,0,1|2,0,0]=4 2819 B16R2.11988 CC(=Cc1cnc2cc(ccc2c1)O)C 271570a_100102525489_200010153753 [0,1,0,0,0,1|2,0,0]=4 2820 B16R2.11988 CC(=O)Cc1cc2ccc(cc2cn1)Cl 1458a_100000070787_200010408301 [0,1,0,0,0,1|1,0,0]=3 2821 B16R2.11988 CC(=O)Cc1ccc2cc(ccc2c1)Br 1458a_100000070787_100012356510 [0,1,0,0,0,1|0,0,0]=2 2822 B16R2.11988 CC(=O)Cc1ccc2cc(ccc2n1)C 1458a_100000070787_100009884411 [0,1,0,0,0,1|1,0,0]=3 2823 B16R2.11988 CC(=O)Cc1ccc2oc(=O)ccc2c1 1458a_100000070787_200010983872 [0,1,0,0,0,1|1,0,0]=3 2824 B16R2.11988 CC(=O)Nc1ccc2[nH]c(=O)cnc2c1 11a_200010977331_100015343762 [0,1,0,0,0,1|2,0,0]=4 2825 B16R2.11988 CC(=O)Nc1ccc2[nH]c(=O)cnc2c1 22a_200010977331_100000070787 [0,1,0,0,0,1|2,0,0]=4 2826 B16R2.11988 CC(=O)Nc1ccc2[nH]c(=O)cnc2c1 527a_200010977331_100103153847 [0,1,0,0,0,1|2,0,0]=4 2827 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br 11a_100000185457_100015343762 [0,1,0,0,0,1|0,0,0]=2 2828 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br 1626a_100000185457_100015343762 [0,1,0,0,0,1|0,0,0]=2 2829 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br 22a_100000185457_100000070787 [0,1,0,0,0,1|0,0,0]=2 2830 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br 527a_100000185457_100103153847 [0,1,0,0,0,1|0,0,0]=2 2831 B16R2.11988 CC(=O)Nc1ccc2cc(cnc2c1)Br 11a_200010264087_100015343762 [0,1,0,0,0,1|1,0,0]=3 2832 B16R2.11988 CC(=O)Nc1ccc2cc(cnc2c1)Br 1626a_200010264087_100015343762 [0,1,0,0,0,1|1,0,0]=3 2833 B16R2.11988 CC(=O)Nc1ccc2cc(cnc2c1)Br 22a_200010264087_100000070787 [0,1,0,0,0,1|1,0,0]=3 2834 B16R2.11988 CC(=O)Nc1ccc2cc(cnc2c1)Br 527a_200010264087_100103153847 [0,1,0,0,0,1|1,0,0]=3 2835 B16R2.11988 CC(=O)Nc1ccc2nc(ccc2c1)C 11a_100011216442_100015343762 [0,1,0,0,0,1|1,0,0]=3 2836 B16R2.11988 CC(=O)Nc1ccc2nc(ccc2c1)C 1626a_100011216442_100015343762 [0,1,0,0,0,1|1,0,0]=3 2837 B16R2.11988 CC(=O)Nc1ccc2nc(ccc2c1)C 22a_100011216442_100000070787 [0,1,0,0,0,1|1,0,0]=3 2838 B16R2.11988 CC(=O)Nc1ccc2nc(ccc2c1)C 527a_100011216442_100103153847 [0,1,0,0,0,1|1,0,0]=3 2839 B16R2.11988 CC(=O)Nc1ccc2nc(ccc2c1)O 11a_100000751528_100015343762 [0,1,0,0,0,1|1,0,0]=3 2840 B16R2.11988 CC(=O)Nc1ccc2nc(ccc2c1)O 22a_100000751528_100000070787 [0,1,0,0,0,1|1,0,0]=3 2841 B16R2.11988 CC(=O)Nc1ccc2nc(ccc2c1)O 527a_100000751528_100103153847 [0,1,0,0,0,1|1,0,0]=3 2842 B16R2.11988 CC(=O)Nc1ccc2nc(cnc2c1)Cl 11a_100009885871_100015343762 [0,1,0,0,0,1|2,0,0]=4 2843 B16R2.11988 CC(=O)Nc1ccc2nc(cnc2c1)Cl 1626a_100009885871_100015343762 [0,1,0,0,0,1|2,0,0]=4 2844 B16R2.11988 CC(=O)Nc1ccc2nc(cnc2c1)Cl 22a_100009885871_100000070787 [0,1,0,0,0,1|2,0,0]=4 2845 B16R2.11988 CC(=O)Nc1ccc2nc(cnc2c1)Cl 527a_100009885871_100103153847 [0,1,0,0,0,1|2,0,0]=4 2846 B16R2.11988 CC(=O)Nc1ccc2oc(=O)ccc2c1 11a_100000008519_100015343762 [0,1,0,0,0,1|1,0,0]=3 2847 B16R2.11988 CC(=O)Nc1ccc2oc(=O)ccc2c1 1626a_100000008519_100015343762 [0,1,0,0,0,1|1,0,0]=3 2848 B16R2.11988 CC(=O)Nc1ccc2oc(=O)ccc2c1 22a_100000008519_100000070787 [0,1,0,0,0,1|1,0,0]=3 2849 B16R2.11988 CC(=O)Nc1ccc2oc(=O)ccc2c1 527a_100000008519_100103153847 [0,1,0,0,0,1|1,0,0]=3 2850 B16R2.11988 CC(C)Nc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210206 [0,1,0,0,0,1|1,0,1]=4 2851 B16R2.11988 CC(C)Nc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210206 [0,1,0,0,0,1|1,0,1]=4 2852 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210206 [0,1,0,0,0,1|1,0,1]=4 2853 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210206 [0,1,0,0,0,1|1,0,1]=4 2854 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210206 [0,1,0,0,0,1|1,0,1]=4 2855 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210206 [0,1,0,0,0,1|1,0,1]=4 2856 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)F 34a_100009847029_100000210206 [0,1,0,0,0,1|1,0,1]=4 2857 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)F 7a_100009847029_100000210206 [0,1,0,0,0,1|1,0,1]=4 2858 B16R2.11988 CC(C)Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170441 [0,1,0,0,0,1|1,0,1]=4 2859 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)Br 62a_100000210206_100012344972 [0,1,0,0,0,1|1,0,1]=4 2860 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210206 [0,1,0,0,0,1|1,0,1]=4 2861 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)F 62a_100000210206_100009817052 [0,1,0,0,0,1|1,0,1]=4 2862 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)F 62a_100009817052_100000210206 [0,1,0,0,0,1|1,0,1]=4 2863 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)N 62a_100000185457_100000210206 [0,1,0,0,0,1|1,0,1]=4 2864 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)N 62a_100000210206_100000185457 [0,1,0,0,0,1|1,0,1]=4 2865 B16R2.11988 CC(C)Sc1ccc2cc(ccc2c1)O 62a_100000210206_100000185455 [0,1,0,0,0,1|1,0,1]=4 2866 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 2230a_100102631434_100012356510 [0,1,0,0,0,1|2,0,0]=4 2867 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 269982a_100102631434_100012356510 [0,1,0,0,0,1|2,0,0]=4 2868 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)Br 270004a_100102631434_100012356508 [0,1,0,0,0,1|2,0,0]=4 2869 B16R2.11988 CN(C)Cc1ccc2cc(ccc2c1)O 270004a_100102631434_100000067190 [0,1,0,0,0,1|2,0,0]=4 2870 B16R2.11988 Cc1ccc2cc(ccc2c1)OC(C)C 34a_100000074090_100000210206 [0,1,0,0,0,1|1,0,1]=4 2871 B16R2.11988 Cc1ccc2cc(ccc2c1)OC(C)C 7a_100000074090_100000210206 [0,1,0,0,0,1|1,0,1]=4 2872 B16R2.22859 CC(=Cc1ccc2c(=O)ccoc2c1)C 271570a_100102525489_100010062221 [0,1,0,0,0,1|2,0,0]=4 2873 B16R2.22859 CC(=Cc1ccc2c(cccc2c1)N)C 271570a_100102525489_100010090037 [0,1,0,0,0,1|1,0,0]=3 2874 B16R2.22859 CC(=Cc1ccc2c(cccc2c1)O)C 271570a_100102525489_100010202202 [0,1,0,0,0,1|1,0,0]=3 2875 B16R2.22859 CC(=Cc1ccc2c(ccnc2c1)C)C 271570a_100102525489_100010132309 [0,1,0,0,0,1|2,0,0]=4 2876 B16R2.22859 CC(=Cc1ccc2c(ccnc2c1)Cl)C 271570a_100102525489_100009996786 [0,1,0,0,0,1|2,0,0]=4 2877 B16R2.22859 CC(=Cc1ccc2c(ccnc2c1)N)C 271570a_100102525489_200009816820 [0,1,0,0,0,1|2,0,0]=4 2878 B16R2.22859 CC(=Cc1ccc2c(ccnc2c1)O)C 271570a_100102525489_100000756855 [0,1,0,0,0,1|2,0,0]=4 2879 B16R2.22859 CC(=Cc1ccc2c(nccc2c1)N)C 271570a_100102525489_100000732483 [0,1,0,0,0,1|2,0,0]=4 2880 B16R2.22859 CC(=Cc1ccc2c(nccc2c1)O)C 271570a_100102525489_100000760485 [0,1,0,0,0,1|2,0,0]=4 2881 B16R2.22859 CC(=Cc1cnc2c(cccc2c1)Br)C 271570a_100102525489_100010204298 [0,1,0,0,0,1|2,0,0]=4 2882 B16R2.22859 CC(=Cc1cnc2c(cccc2c1)C)C 271570a_100102525489_100009829671 [0,1,0,0,0,1|2,0,0]=4 2883 B16R2.22859 CC(=Cc1cnc2c(cccc2c1)Cl)C 271570a_100102525489_100000759377 [0,1,0,0,0,1|2,0,0]=4 2884 B16R2.22859 CC(=Cc1cnc2c(cccc2c1)F)C 271570a_100102525489_100000049890 [0,1,0,0,0,1|2,0,0]=4 2885 B16R2.22859 CC(=Cc1cnc2c(cccc2c1)N)C 271570a_100102525489_100000702407 [0,1,0,0,0,1|2,0,0]=4 2886 B16R2.22859 CC(=O)Nc1ccc2c(=O)[nH]ccc2c1 11a_100009854415_100015343762 [0,1,0,0,0,1|1,0,0]=3 2887 B16R2.22859 CC(=O)Nc1ccc2c(=O)[nH]ccc2c1 22a_100009854415_100000070787 [0,1,0,0,0,1|1,0,0]=3 2888 B16R2.22859 CC(=O)Nc1ccc2c(=O)[nH]ccc2c1 527a_100009854415_100103153847 [0,1,0,0,0,1|1,0,0]=3 2889 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 1626a_100000035793_100015343762 [0,1,0,0,0,1|0,0,0]=2 2890 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 22a_100000035793_100000070787 [0,1,0,0,0,1|0,0,0]=2 2891 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O 527a_100000035793_100103153847 [0,1,0,0,0,1|0,0,0]=2 2892 B16R2.22859 CC(C)Nc1ccc2c(cccc2c1)O 34a_100000035793_100000210206 [0,1,0,0,0,1|1,0,1]=4 2893 B16R2.22859 CC(C)Nc1ccc2c(cccc2c1)O 7a_100000035793_100000210206 [0,1,0,0,0,1|1,0,1]=4 2894 B16R2.22859 CC(C)Oc1ccc2c(cccc2c1)N 34a_100000034668_100000210206 [0,1,0,0,0,1|1,0,1]=4 2895 B16R2.22859 CC(C)Oc1ccc2c(cccc2c1)N 7a_100000034668_100000210206 [0,1,0,0,0,1|1,0,1]=4 2896 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)N 62a_100000210206_100010090037 [0,1,0,0,0,1|1,0,1]=4 2897 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)N 62a_100010090037_100000210206 [0,1,0,0,0,1|1,0,1]=4 2898 B16R2.22859 CC(C)Sc1ccc2c(cccc2c1)O 62a_100000210206_100010202202 [0,1,0,0,0,1|1,0,1]=4 2899 B16R2.24933 CC(=Cc1cc(=O)c2ccccc2[nH]1)C 271570a_100102525489_100000090176 [0,1,0,0,0,1|2,0,0]=4 2900 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)N)C 271570a_100102525489_100010171453 [0,1,0,0,0,1|1,0,0]=3 2901 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)O)C 271570a_100102525489_100010089979 [0,1,0,0,0,1|1,0,0]=3 2902 B16R2.24933 CC(=Cc1cc(c2ccccc2n1)C)C 271570a_100102525489_100012354972 [0,1,0,0,0,1|2,0,0]=4 2903 B16R2.24933 CC(=Cc1cc(c2ccccc2n1)N)C 271570a_100102525489_100010197925 [0,1,0,0,0,1|2,0,0]=4 2904 B16R2.24933 CC(=Cc1cc(c2cccnc2c1)N)C 271570a_100102525489_200010263263 [0,1,0,0,0,1|2,0,0]=4 2905 B16R2.24933 CC(=Cc1cc(c2cnccc2c1)F)C 271570a_100102525489_100011068762 [0,1,0,0,0,1|2,0,0]=4 2906 B16R2.24933 CC(=Cc1cc(c2ncccc2c1)C)C 271570a_100102525489_100010130319 [0,1,0,0,0,1|2,0,0]=4 2907 B16R2.24933 CC(=Cc1cc(c2ncccc2c1)Cl)C 271570a_100102525489_200010369337 [0,1,0,0,0,1|2,0,0]=4 2908 B16R2.24933 CC(=Cc1cc(c2ncccc2c1)F)C 271570a_100102525489_100010234705 [0,1,0,0,0,1|2,0,0]=4 2909 B16R2.24933 CC(=Cc1cc(c2ncccc2c1)N)C 271570a_100102525489_100009814519 [0,1,0,0,0,1|2,0,0]=4 2910 B16R2.24933 CC(=Cc1cc(c2ncccc2c1)O)C 271570a_100102525489_100010248853 [0,1,0,0,0,1|2,0,0]=4 2911 B16R2.24933 CC(=Cc1cc2ccccc2[n+](c1)[O-])C 271570a_100102525489_200010000521 [0,1,0,0,0,1|2,0,0]=4 2912 B16R2.24933 CC(=Cc1cc2ccccc2c(n1)N)C 271570a_100102525489_100009957331 [0,1,0,0,0,1|2,0,0]=4 2913 B16R2.24933 CC(=O)Cc1cc(=O)n2ccccc2n1 1458a_100000070787_100000017730 [0,1,0,0,0,1|2,0,0]=4 2914 B16R2.24933 CC(=O)Cc1nc(c2ccccc2n1)C 1458a_100000070787_100000736427 [0,1,0,0,0,1|2,0,0]=4 2915 B16R2.24933 CC(=O)Cc1nc(c2ccccc2n1)Cl 1458a_100000070787_100010180038 [0,1,0,0,0,1|2,0,0]=4 2916 B16R2.24933 CC(=O)Cc1nc2ccccc2c(=O)[nH]1 1458a_100000070787_100000182789 [0,1,0,0,0,1|2,0,0]=4 2917 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br 11a_100010089974_100015343762 [0,1,0,0,0,1|0,0,0]=2 2918 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br 1626a_100010089974_100015343762 [0,1,0,0,0,1|0,0,0]=2 2919 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br 22a_100010089974_100000070787 [0,1,0,0,0,1|0,0,0]=2 2920 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br 527a_100010089974_100103153847 [0,1,0,0,0,1|0,0,0]=2 2921 B16R2.24933 CC(=O)Nc1cc(c2ncccc2c1)Cl 11a_200009830422_100015343762 [0,1,0,0,0,1|1,0,0]=3 2922 B16R2.24933 CC(=O)Nc1cc(c2ncccc2c1)Cl 1626a_200009830422_100015343762 [0,1,0,0,0,1|1,0,0]=3 2923 B16R2.24933 CC(=O)Nc1cc(c2ncccc2c1)Cl 22a_200009830422_100000070787 [0,1,0,0,0,1|1,0,0]=3 2924 B16R2.24933 CC(=O)Nc1cc(c2ncccc2c1)Cl 527a_200009830422_100103153847 [0,1,0,0,0,1|1,0,0]=3 2925 B16R2.24933 CC(C)Nc1cc(c2ccccc2c1)Br 34a_100010089974_100000210206 [0,1,0,0,0,1|1,0,1]=4 2926 B16R2.24933 CC(C)Nc1cc(c2ccccc2c1)Br 7a_100010089974_100000210206 [0,1,0,0,0,1|1,0,1]=4 2927 B16R2.24933 CC(C)Oc1cc(c2ccccc2c1)Br 34a_100010001680_100000210206 [0,1,0,0,0,1|1,0,1]=4 2928 B16R2.24933 CC(C)Oc1cc(c2ccccc2c1)Br 7a_100010001680_100000210206 [0,1,0,0,0,1|1,0,1]=4 2929 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)N 62a_100000210206_100010171453 [0,1,0,0,0,1|1,0,1]=4 2930 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)N 62a_100010171453_100000210206 [0,1,0,0,0,1|1,0,1]=4 2931 B16R2.24933 CC(C)Sc1cc(c2ccccc2c1)O 62a_100000210206_100010089979 [0,1,0,0,0,1|1,0,1]=4 2932 B16R2.82802 CC(C)(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210625 [0,1,0,0,0,1|1,0,1]=4 2933 B16R2.82802 CC(C)(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210625 [0,1,0,0,0,1|1,0,1]=4 2934 B16R2.82802 CC(C)(C)Sc1ccc2ccccc2c1 62a_100000211941_100000233703 [0,1,0,0,0,1|1,0,1]=4 2935 B16R2.82802 CS(=O)(=O)Nc1ccc2ccccc2c1 40a_100000211940_100000738038 [0,1,0,0,0,1|1,0,0]=3 2936 B16R2.82802 CS(=O)(=O)Nc1ccc2cccnc2c1 40a_100102887122_100000738038 [0,1,0,0,0,1|2,0,0]=4 2937 B16R2.82802 CS(=O)(=O)Nc1ccc2ccncc2c1 40a_100000069342_100000738038 [0,1,0,0,0,1|2,0,0]=4 2938 B16R2.82802 CS(=O)(=O)Nc1ccc2cnccc2c1 40a_100000039641_100000738038 [0,1,0,0,0,1|2,0,0]=4 2939 B16R2.82802 CS(=O)(=O)Nc1ccc2ncccc2c1 40a_100011198106_100000738038 [0,1,0,0,0,1|2,0,0]=4 2940 B16R2.83538 CC(=Cc1c[nH]c2ccccc2c1=O)C 271570a_100102525489_100012339567 [0,1,0,0,0,1|2,0,0]=4 2941 B16R2.83538 CC(=Cc1ccc2ccccc2c1Br)C 271570a_100102525489_200010089984 [0,1,0,0,0,1|1,0,0]=3 2942 B16R2.83538 CC(=Cc1ccc2ccccc2c1C)C 271570a_100102525489_100010221197 [0,1,0,0,0,1|1,0,0]=3 2943 B16R2.83538 CC(=Cc1ccc2ccccc2c1F)C 271570a_100102525489_100009832041 [0,1,0,0,0,1|1,0,0]=3 2944 B16R2.83538 CC(=Cc1ccc2ccccc2c1N)C 271570a_100102525489_100009817101 [0,1,0,0,0,1|1,0,0]=3 2945 B16R2.83538 CC(=Cc1ccc2ccccc2c1O)C 271570a_100102525489_100009996032 [0,1,0,0,0,1|1,0,0]=3 2946 B16R2.83538 CC(=Cc1ccc2cccnc2c1C)C 271570a_100102525489_100010214467 [0,1,0,0,0,1|2,0,0]=4 2947 B16R2.83538 CC(=Cc1ccc2cccnc2c1F)C 271570a_100102525489_100010751467 [0,1,0,0,0,1|2,0,0]=4 2948 B16R2.83538 CC(=Cc1ccc2cccnc2c1O)C 271570a_100102525489_100009816563 [0,1,0,0,0,1|2,0,0]=4 2949 B16R2.83538 CC(=Cc1ccc2cnccc2c1N)C 271570a_100102525489_100010191621 [0,1,0,0,0,1|2,0,0]=4 2950 B16R2.83538 CC(=Cc1ccc2ncccc2c1C)C 271570a_100102525489_200010137439 [0,1,0,0,0,1|2,0,0]=4 2951 B16R2.83538 CC(=Cc1ccc2ncccc2c1N)C 271570a_100102525489_200010235790 [0,1,0,0,0,1|2,0,0]=4 2952 B16R2.83538 CC(=Cc1cnc2ccccc2c1Cl)C 271570a_100102525489_100012352519 [0,1,0,0,0,1|2,0,0]=4 2953 B16R2.83538 CC(=Cc1cnc2ccccc2c1N)C 271570a_100102525489_100009995562 [0,1,0,0,0,1|2,0,0]=4 2954 B16R2.83538 CC(=Cc1coc2ccccc2c1=O)C 271570a_100102525489_100009813851 [0,1,0,0,0,1|2,0,0]=4 2955 B16R2.83538 CC(=Cc1ncc2ccccc2c1N)C 271570a_100102525489_100000087573 [0,1,0,0,0,1|2,0,0]=4 2956 B16R2.83538 CC(=O)Cc1ccc2ccccc2c1Br 1458a_100000070787_100009813938 [0,1,0,0,0,1|0,0,0]=2 2957 B16R2.83538 CC(=O)Cn1cnc2ccccc2c1=O 1458a_100000183453_200000210301 [0,1,0,0,0,1|2,0,0]=4 2958 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Br 11a_100000705303_100015343762 [0,1,0,0,0,1|0,0,0]=2 2959 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Br 1626a_100000705303_100015343762 [0,1,0,0,0,1|0,0,0]=2 2960 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Cl 11a_100000075557_100015343762 [0,1,0,0,0,1|0,0,0]=2 2961 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Cl 1626a_100000075557_100015343762 [0,1,0,0,0,1|0,0,0]=2 2962 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1O 22a_100000007060_100000070787 [0,1,0,0,0,1|0,0,0]=2 2963 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1O 271570a_203496583355_200009892723 [0,1,0,0,0,1|0,0,0]=2 2964 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1O 527a_100000007060_100103153847 [0,1,0,0,0,1|0,0,0]=2 2965 B16R2.83538 CC(=O)Nc1ccc2cnccc2c1Br 11a_100010245214_100015343762 [0,1,0,0,0,1|1,0,0]=3 2966 B16R2.83538 CC(=O)Nc1ccc2cnccc2c1Br 1626a_100010245214_100015343762 [0,1,0,0,0,1|1,0,0]=3 2967 B16R2.83538 CC(=O)Nc1ccc2cnccc2c1Cl 11a_100009851981_100015343762 [0,1,0,0,0,1|1,0,0]=3 2968 B16R2.83538 CC(=O)Nc1ccc2cnccc2c1Cl 1626a_100009851981_100015343762 [0,1,0,0,0,1|1,0,0]=3 2969 B16R2.83538 CC(=O)Nc1ccc2ncccc2c1Br 11a_200009995563_100015343762 [0,1,0,0,0,1|1,0,0]=3 2970 B16R2.83538 CC(=O)Nc1ccc2ncccc2c1Br 1626a_200009995563_100015343762 [0,1,0,0,0,1|1,0,0]=3 2971 B16R2.83538 CC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100015343762 [0,1,0,0,0,1|2,0,0]=4 2972 B16R2.83538 CC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100015343762 [0,1,0,0,0,1|2,0,0]=4 2973 B16R2.83538 CC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100103153847 [0,1,0,0,0,1|2,0,0]=4 2974 B16R2.83538 CC(=O)Oc1ccc2ccccc2c1O 271570a_203496583355_200103289829 [0,1,0,0,0,1|0,0,0]=2 2975 B16R2.83538 CC(C)Nc1ccc2ccccc2c1Br 34a_100000705303_100000210206 [0,1,0,0,0,1|1,0,1]=4 2976 B16R2.83538 CC(C)Nc1ccc2ccccc2c1Cl 34a_100000075557_100000210206 [0,1,0,0,0,1|1,0,1]=4 2977 B16R2.83538 CC(C)Nc1ccc2ccccc2c1O 34a_100000007060_100000210206 [0,1,0,0,0,1|1,0,1]=4 2978 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Br 34a_100000183829_100000210206 [0,1,0,0,0,1|1,0,1]=4 2979 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Br 7a_100000183829_100000210206 [0,1,0,0,0,1|1,0,1]=4 2980 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Cl 34a_100000029778_100000210206 [0,1,0,0,0,1|1,0,1]=4 2981 B16R2.83538 CC(C)Oc1ccc2ccccc2c1Cl 7a_100000029778_100000210206 [0,1,0,0,0,1|1,0,1]=4 2982 B16R2.83538 CC(C)Oc1ccc2ccccc2c1I 34a_100000041551_100000210206 [0,1,0,0,0,1|1,0,1]=4 2983 B16R2.83538 CC(C)Oc1ccc2ccccc2c1I 7a_100000041551_100000210206 [0,1,0,0,0,1|1,0,1]=4 2984 B16R2.83538 CC(C)Oc1ccc2ccccc2c1N 34a_100000007056_100000210206 [0,1,0,0,0,1|1,0,1]=4 2985 B16R2.83538 CC(C)Oc1ccc2ccccc2c1N 7a_100000007056_100000210206 [0,1,0,0,0,1|1,0,1]=4 2986 B16R2.83538 CC(C)Sc1ccc2ccccc2c1Br 62a_100000210206_200010089984 [0,1,0,0,0,1|1,0,1]=4 2987 B16R2.83538 CC(C)Sc1ccc2ccccc2c1Br 62a_200010089984_100000210206 [0,1,0,0,0,1|1,0,1]=4 2988 B16R2.83538 CC(C)Sc1ccc2ccccc2c1F 62a_100000210206_100009832041 [0,1,0,0,0,1|1,0,1]=4 2989 B16R2.83538 CC(C)Sc1ccc2ccccc2c1F 62a_100009832041_100000210206 [0,1,0,0,0,1|1,0,1]=4 2990 B16R2.83538 CC(C)Sc1ccc2ccccc2c1N 62a_100009817101_100000210206 [0,1,0,0,0,1|1,0,1]=4 2991 B16R2.83538 CC(C)Sc1ccc2ccccc2c1O 62a_100000210206_100009996032 [0,1,0,0,0,1|1,0,1]=4 2992 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 2230a_100102631434_100009813938 [0,1,0,0,0,1|2,0,0]=4 2993 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 269982a_100102631434_100009813938 [0,1,0,0,0,1|2,0,0]=4 2994 B16R2.83538 CN(C)Cc1ccc2ccccc2c1Br 270004a_100102631434_100009813496 [0,1,0,0,0,1|2,0,0]=4 2995 B16R2.83538 Cc1c(ccc2c1cccc2)OC(C)C 34a_100009830054_100000210206 [0,1,0,0,0,1|1,0,1]=4 2996 B16R2.83538 Cc1c(ccc2c1cccc2)OC(C)C 7a_100009830054_100000210206 [0,1,0,0,0,1|1,0,1]=4 2997 B16R2.83538 Cc1c(ccc2c1cccc2)SC(C)C 62a_100000210206_100010221197 [0,1,0,0,0,1|1,0,1]=4 2998 B16R2.83538 Cc1c(ccc2c1cccc2)SC(C)C 62a_100010221197_100000210206 [0,1,0,0,0,1|1,0,1]=4 2999 B16R2.83538 [13CH3]C(=O)Cn1cnc2ccccc2c1=O 1458a_100000183453_200025704644 [0,1,0,0,0,1|2,0,0]=4 3000 B16R2.126902 CC(=Cc1ccc2[nH]ccc(=O)c2c1)C 271570a_100102525489_100000746092 [0,1,0,0,0,1|2,0,0]=4 3001 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)C)C 271570a_100102525489_100010089936 [0,1,0,0,0,1|1,0,0]=3 3002 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)N)C 271570a_100102525489_100010090012 [0,1,0,0,0,1|1,0,0]=3 3003 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)O)C 271570a_100102525489_100010089991 [0,1,0,0,0,1|1,0,0]=3 3004 B16R2.126902 CC(=Cc1ccc2cccc(c2n1)C)C 271570a_100102525489_100012002297 [0,1,0,0,0,1|2,0,0]=4 3005 B16R2.126902 CC(=Cc1ccc2cccc(c2n1)F)C 271570a_100102525489_100012017632 [0,1,0,0,0,1|2,0,0]=4 3006 B16R2.126902 CC(=Cc1ccc2cccc(c2n1)O)C 271570a_100102525489_100010153751 [0,1,0,0,0,1|2,0,0]=4 3007 B16R2.126902 CC(=Cc1ccc2ccnc(c2c1)C)C 271570a_100102525489_200010739692 [0,1,0,0,0,1|2,0,0]=4 3008 B16R2.126902 CC(=Cc1ccc2ccnc(c2c1)N)C 271570a_100102525489_100012352255 [0,1,0,0,0,1|2,0,0]=4 3009 B16R2.126902 CC(=Cc1ccc2ccnc(c2c1)O)C 271570a_100102525489_100000010956 [0,1,0,0,0,1|2,0,0]=4 3010 B16R2.126902 CC(=Cc1ccc2cncc(c2c1)O)C 271570a_100102525489_100010136424 [0,1,0,0,0,1|2,0,0]=4 3011 B16R2.126902 CC(=Cc1ccc2nccc(c2c1)C)C 271570a_100102525489_100009817033 [0,1,0,0,0,1|2,0,0]=4 3012 B16R2.126902 CC(=Cc1ccc2nccc(c2c1)Cl)C 271570a_100102525489_100011310491 [0,1,0,0,0,1|2,0,0]=4 3013 B16R2.126902 CC(=Cc1ccc2nccc(c2c1)N)C 271570a_100102525489_100011620571 [0,1,0,0,0,1|2,0,0]=4 3014 B16R2.126902 CC(=Cc1ccc2occc(=O)c2c1)C 271570a_100102525489_100009813387 [0,1,0,0,0,1|2,0,0]=4 3015 B16R2.126902 CC(=Cc1cnc2cccc(c2c1)N)C 271570a_100102525489_100010264086 [0,1,0,0,0,1|2,0,0]=4 3016 B16R2.126902 CC(=Cc1cnc2cccc(c2c1)O)C 271570a_100102525489_200010153752 [0,1,0,0,0,1|2,0,0]=4 3017 B16R2.126902 CC(=O)Cc1ccc2ncnc(c2c1)Cl 1458a_100000070787_200010205392 [0,1,0,0,0,1|2,0,0]=4 3018 B16R2.126902 CC(=O)Nc1ccc2cc[nH]c(=O)c2c1 11a_200009826668_100015343762 [0,1,0,0,0,1|1,0,0]=3 3019 B16R2.126902 CC(=O)Nc1ccc2cc[nH]c(=O)c2c1 22a_200009826668_100000070787 [0,1,0,0,0,1|1,0,0]=3 3020 B16R2.126902 CC(=O)Nc1ccc2cc[nH]c(=O)c2c1 527a_200009826668_100103153847 [0,1,0,0,0,1|1,0,0]=3 3021 B16R2.126902 CC(=O)Nc1ccc2cccc(c2c1)O 1626a_100132313934_100015343762 [0,1,0,0,0,1|0,0,0]=2 3022 B16R2.126902 CC(=O)Nc1ccc2cccc(c2c1)O 22a_100132313934_100000070787 [0,1,0,0,0,1|0,0,0]=2 3023 B16R2.126902 CC(=O)Nc1ccc2cccc(c2c1)O 527a_100132313934_100103153847 [0,1,0,0,0,1|0,0,0]=2 3024 B16R2.126902 CC(=O)Nc1ccc2nc[nH]c(=O)c2c1 11a_100000239969_100015343762 [0,1,0,0,0,1|2,0,0]=4 3025 B16R2.126902 CC(=O)Nc1ccc2nc[nH]c(=O)c2c1 1626a_100000239969_100015343762 [0,1,0,0,0,1|2,0,0]=4 3026 B16R2.126902 CC(=O)Nc1ccc2nc[nH]c(=O)c2c1 22a_100000239969_100000070787 [0,1,0,0,0,1|2,0,0]=4 3027 B16R2.126902 CC(=O)Nc1ccc2nccc(c2c1)Br 11a_100010074812_100015343762 [0,1,0,0,0,1|1,0,0]=3 3028 B16R2.126902 CC(=O)Nc1ccc2nccc(c2c1)Br 1626a_100010074812_100015343762 [0,1,0,0,0,1|1,0,0]=3 3029 B16R2.126902 CC(=O)Nc1ccc2nccc(c2c1)Br 527a_100010074812_100103153847 [0,1,0,0,0,1|1,0,0]=3 3030 B16R2.126902 CC(=O)Nc1ccc2nccc(c2c1)Cl 11a_100009879071_100015343762 [0,1,0,0,0,1|1,0,0]=3 3031 B16R2.126902 CC(=O)Nc1ccc2nccc(c2c1)Cl 1626a_100009879071_100015343762 [0,1,0,0,0,1|1,0,0]=3 3032 B16R2.126902 CC(=O)Nc1ccc2occc(=O)c2c1 11a_100000088200_100015343762 [0,1,0,0,0,1|1,0,0]=3 3033 B16R2.126902 CC(=O)Nc1ccc2occc(=O)c2c1 1626a_100000088200_100015343762 [0,1,0,0,0,1|1,0,0]=3 3034 B16R2.126902 CC(=O)Nc1ccc2occc(=O)c2c1 22a_100000088200_100000070787 [0,1,0,0,0,1|1,0,0]=3 3035 B16R2.126902 CC(=O)Oc1ccc2ncnc(c2c1)O 271570a_203496583355_100010206405 [0,1,0,0,0,1|2,0,0]=4 3036 B16R2.126902 CC(C)Nc1ccc2cccc(c2c1)O 34a_100132313934_100000210206 [0,1,0,0,0,1|1,0,1]=4 3037 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)Br 34a_100010169565_100000210206 [0,1,0,0,0,1|1,0,1]=4 3038 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)Br 7a_100010169565_100000210206 [0,1,0,0,0,1|1,0,1]=4 3039 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)F 34a_100000091619_100000210206 [0,1,0,0,0,1|1,0,1]=4 3040 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)F 7a_100000091619_100000210206 [0,1,0,0,0,1|1,0,1]=4 3041 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)N 34a_100000034012_100000210206 [0,1,0,0,0,1|1,0,1]=4 3042 B16R2.126902 CC(C)Oc1ccc2cccc(c2c1)N 7a_100000034012_100000210206 [0,1,0,0,0,1|1,0,1]=4 3043 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)N 62a_100000210206_100010090012 [0,1,0,0,0,1|1,0,1]=4 3044 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)N 62a_100010090012_100000210206 [0,1,0,0,0,1|1,0,1]=4 3045 B16R2.126902 CC(C)Sc1ccc2cccc(c2c1)O 62a_100000210206_100010089991 [0,1,0,0,0,1|1,0,1]=4 3046 B16R2.126902 Cc1cccc2c1cc(cc2)OC(C)C 34a_200000091600_100000210206 [0,1,0,0,0,1|1,0,1]=4 3047 B16R2.126902 Cc1cccc2c1cc(cc2)OC(C)C 7a_200000091600_100000210206 [0,1,0,0,0,1|1,0,1]=4 3048 B16R2.126902 Cc1cccc2c1cc(cc2)SC(C)C 62a_100000210206_100010089936 [0,1,0,0,0,1|1,0,1]=4 3049 B16R2.1229 CCC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_100000210202 [0,2,0,0,0,0|0,0,0]=2 3050 B16R2.1229 CCC(=O)c1ccc2ccccc2c1O 1458a_100000181341_100000210202 [0,2,0,0,0,0|0,0,0]=2 3051 B16R2.1229 CCC(=O)c1ccc2cccnc2c1O 1458a_100000036822_100000210202 [0,2,0,0,0,0|1,0,0]=3 3052 B16R2.1229 CNC(=O)c1ccc2ccccc2c1Br 11a_106832991635_100000239384 [0,2,0,0,0,0|0,0,0]=2 3053 B16R2.1229 CNC(=O)c1ccc2ccccc2c1Br 1626a_100102657272_100000239384 [0,2,0,0,0,0|0,0,0]=2 3054 B16R2.1229 CNC(=O)c1ccc2ccccc2c1Br 240690a_100102657272_100000239384 [0,2,0,0,0,0|0,0,0]=2 3055 B16R2.1229 CNC(=O)c1ccc2ccccc2c1Br 527a_100102657272_100000239384 [0,2,0,0,0,0|0,0,0]=2 3056 B16R2.1229 CNC(=O)c1ccc2ccccc2c1O 240690a_100102657272_100000181341 [0,2,0,0,0,0|0,0,0]=2 3057 B16R2.1229 CNC(=O)c1ccc2ccccc2c1O 527a_100102657272_100000181341 [0,2,0,0,0,0|0,0,0]=2 3058 B16R2.1229 CNC(=O)c1ccc2cccnc2c1O 240690a_100102657272_100000036822 [0,2,0,0,0,0|1,0,0]=3 3059 B16R2.1229 CNC(C)c1ccc2ccccc2c1O 269862a_106832991636_100000212095 [0,2,0,0,0,0|1,0,1]=4 3060 B16R2.1229 COC(=O)c1ccc2ccccc2c1O 271570a_203496583355_100102564387 [0,2,0,0,0,0|0,0,0]=2 3061 B16R2.1229 O=C(CF)c1ccc2ccccc2c1Br 1458a_100000239384_100015361967 [0,2,0,0,0,0|0,0,0]=2 3062 B16R2.1229 O=C(CF)c1ccc2ccccc2c1O 1458a_100000181341_100015361967 [0,2,0,0,0,0|0,0,0]=2 3063 B16R2.1229 O=C(CF)c1ccc2cccnc2c1O 1458a_100000036822_100015361967 [0,2,0,0,0,0|1,0,0]=3 3064 B16R2.6148 C=C(C)c1ccc2ccccc2c1C=O 271570a_100000694244_100010090029 [0,2,0,0,0,0|1,0,0]=3 3065 B16R2.6148 C=C(C)c1ccc2ccccc2c1OC 271570a_100000694244_100010089960 [0,2,0,0,0,0|1,0,0]=3 3066 B16R2.6148 C=C(C)c1ccc2cccnc2c1OC 271570a_100000694244_100010256708 [0,2,0,0,0,0|2,0,0]=4 3067 B16R2.6148 C=Cc1c(ccc2c1cccc2)C(=O)N 271570a_100011290941_100011091912 [0,2,0,0,0,0|1,0,0]=3 3068 B16R2.6148 CNc1c(ccc2c1cccc2)C(=O)N 27a_100102657272_100011091912 [0,2,0,0,0,0|1,0,0]=3 3069 B16R2.6148 COc1c(ccc2c1cccc2)C(=O)C 1458a_100000230751_200000210301 [0,2,0,0,0,0|0,0,0]=2 3070 B16R2.6148 COc1c(ccc2c1cccc2)C(=O)[13CH3] 1458a_100000230751_200025704644 [0,2,0,0,0,0|0,0,0]=2 3071 B16R2.6148 CSc1c(ccc2c1cccc2)C(=O)N 62a_100011091912_200000210301 [0,2,0,0,0,0|1,0,0]=3 3072 B16R2.6148 [13CH3]Sc1c(ccc2c1cccc2)C(=O)N 62a_100011091912_200025704644 [0,2,0,0,0,0|1,0,0]=3 3073 B16R2.12044 C=C(C)c1c[nH]c2ccc(cc2c1=O)Br 271570a_100000694244_100012348040 [0,2,0,0,0,0|2,0,0]=4 3074 B16R2.12044 C=C(C)c1coc2ccc(cc2c1=O)C 271570a_100000694244_200010005421 [0,2,0,0,0,0|2,0,0]=4 3075 B16R2.12044 C=C(C)c1coc2ccc(cc2c1=O)Cl 271570a_100000694244_200010204847 [0,2,0,0,0,0|2,0,0]=4 3076 B16R2.12044 C=C(C)c1coc2ccc(cc2c1=O)F 271570a_100000694244_200009813772 [0,2,0,0,0,0|2,0,0]=4 3077 B16R2.22861 C=C(C)c1c[nH]c2c(cccc2c1=O)F 271570a_100000694244_100012351745 [0,2,0,0,0,0|2,0,0]=4 3078 B16R2.22861 C=C(C)c1ccc2c(=O)cc[nH]c2c1F 271570a_100000694244_100022010583 [0,2,0,0,0,0|2,0,0]=4 3079 B16R2.23331 C=C(C)c1cc(c2cccnc2c1O)Cl 271570a_100000694244_100000211503 [0,2,0,0,0,0|2,0,0]=4 3080 B16R2.23331 C=C(C)c1cc(c2ncccc2c1F)F 271570a_100000694244_200009817093 [0,2,0,0,0,0|2,0,0]=4 3081 B16R2.23331 CC(=O)c1cc(c2ccccc2c1O)O 1458a_100000212128_200000210301 [0,2,0,0,0,0|0,0,0]=2 3082 B16R2.23331 [13CH3]C(=O)c1cc(c2ccccc2c1O)O 1458a_100000212128_200025704644 [0,2,0,0,0,0|0,0,0]=2 3083 B16R2.23372 C=C(C)c1c(cc2ncccc2c1F)F 271570a_100000694244_100010163946 [0,2,0,0,0,0|2,0,0]=4 3084 B16R2.23372 C=C(C)c1c(nc2ccccc2c1C)O 271570a_100000694244_100009820873 [0,2,0,0,0,0|2,0,0]=4 3085 B16R2.23372 CC(=O)c1c(cc2ccccc2c1O)O 1458a_100009996417_200000210301 [0,2,0,0,0,0|0,0,0]=2 3086 B16R2.23372 [13CH3]C(=O)c1c(cc2ccccc2c1O)O 1458a_100009996417_200025704644 [0,2,0,0,0,0|0,0,0]=2 3087 B16R2.1612 C=C(C)c1cc2ccccc2cc1OC 271570a_100000694244_100009817100 [0,2,0,0,0,0|1,0,0]=3 3088 B16R2.1612 C=C(C)c1cc2ccccc2nc1OC 271570a_100000694244_100009820890 [0,2,0,0,0,0|2,0,0]=4 3089 B16R2.1612 C=C(C)c1cc2cccnc2cc1OC 271570a_100000694244_100020706834 [0,2,0,0,0,0|2,0,0]=4 3090 B16R2.1612 C=C(C)c1cc2cnccc2cc1OC 271570a_100000694244_100010990640 [0,2,0,0,0,0|2,0,0]=4 3091 B16R2.1612 C=C(C)c1cc2ncccc2cc1OC 271570a_100000694244_100011093944 [0,2,0,0,0,0|2,0,0]=4 3092 B16R2.1612 C=C(C)c1nc2ccccc2cc1C#N 271570a_100000694244_100015207123 [0,2,0,0,0,0|2,0,0]=4 3093 B16R2.1612 C=C(C)c1nc2ccccc2cc1C=O 271570a_100000694244_100000183649 [0,2,0,0,0,0|2,0,0]=4 3094 B16R2.1612 C=C(C)c1nc2ccccc2cc1CC 271570a_100000694244_100011829826 [0,2,0,0,0,0|2,0,0]=4 3095 B16R2.1612 C=C(C)c1nc2ccccc2cc1CO 271570a_100000694244_100000754719 [0,2,0,0,0,0|2,0,0]=4 3096 B16R2.1612 COc1cc2ccccc2cc1C(=O)C 1458a_100000185179_200000210301 [0,2,0,0,0,0|0,0,0]=2 3097 B16R2.1612 COc1cc2ccccc2cc1C(=O)N 34a_200000192805_200000210301 [0,2,0,0,0,0|1,0,0]=3 3098 B16R2.1612 COc1cc2ccccc2cc1C(=O)N 7a_200000192805_200000210301 [0,2,0,0,0,0|1,0,0]=3 3099 B16R2.1612 COc1cc2ccccc2cc1C(=O)[13CH3] 1458a_100000185179_200025704644 [0,2,0,0,0,0|0,0,0]=2 3100 B16R2.1612 [13CH3]Oc1cc2ccccc2cc1C(=O)N 34a_200000192805_200025704644 [0,2,0,0,0,0|1,0,0]=3 3101 B16R2.1612 [13CH3]Oc1cc2ccccc2cc1C(=O)N 7a_200000192805_200025704644 [0,2,0,0,0,0|1,0,0]=3 3102 B16R2.23520 C=C(C)c1cc2ccc(cc2cc1O)O 271570a_100000694244_100010179872 [0,2,0,0,0,0|1,0,0]=3 3103 B16R2.23521 C=C(C)c1cc2cc(cnc2cc1F)N 271570a_100000694244_100021278121 [0,2,0,0,0,0|2,0,0]=4 3104 B16R2.23521 CC(=O)c1cc2cc(ccc2cc1O)Br 1458a_100009814095_200000210301 [0,2,0,0,0,0|0,0,0]=2 3105 B16R2.23521 CC(=O)c1cc2cc(ccc2oc1=O)O 271570a_203496583355_100000185660 [0,2,0,0,0,0|1,0,0]=3 3106 B16R2.23521 [13CH3]C(=O)c1cc2cc(ccc2cc1O)Br 1458a_100009814095_200025704644 [0,2,0,0,0,0|0,0,0]=2 3107 B16R2.33941 CCC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_100000210202 [0,2,0,0,0,0|0,0,0]=2 3108 B16R2.33941 CCC(=O)c1cc2ccccc2cc1O 1458a_100000212107_100000210202 [0,2,0,0,0,0|0,0,0]=2 3109 B16R2.33941 CNC(=O)c1cc2ccccc2cc1Cl 11a_106832991635_100010003416 [0,2,0,0,0,0|0,0,0]=2 3110 B16R2.33941 CNC(=O)c1cc2ccccc2cc1Cl 1626a_100102657272_100010003416 [0,2,0,0,0,0|0,0,0]=2 3111 B16R2.33941 CNC(=O)c1cc2ccccc2cc1Cl 240690a_100102657272_100010003416 [0,2,0,0,0,0|0,0,0]=2 3112 B16R2.33941 CNC(=O)c1cc2ccccc2cc1Cl 527a_100102657272_100010003416 [0,2,0,0,0,0|0,0,0]=2 3113 B16R2.33941 CNC(=O)c1cc2ccccc2cc1O 11a_106832991635_100000212107 [0,2,0,0,0,0|0,0,0]=2 3114 B16R2.33941 CNC(=O)c1cc2ccccc2cc1O 1626a_100102657272_100000212107 [0,2,0,0,0,0|0,0,0]=2 3115 B16R2.33941 CNC(=O)c1cc2ccccc2cc1O 240690a_100102657272_100000212107 [0,2,0,0,0,0|0,0,0]=2 3116 B16R2.33941 CNC(=O)c1cc2ccccc2cc1O 527a_100102657272_100000212107 [0,2,0,0,0,0|0,0,0]=2 3117 B16R2.33941 COC(=O)c1cc2ccccc2nc1O 271570a_203496583355_100000071358 [0,2,0,0,0,0|1,0,0]=3 3118 B16R2.33941 O=C(CF)c1cc2ccccc2cc1Cl 1458a_100010003416_100015361967 [0,2,0,0,0,0|0,0,0]=2 3119 B16R2.33941 O=C(CF)c1cc2ccccc2cc1O 1458a_100000212107_100015361967 [0,2,0,0,0,0|0,0,0]=2 3120 B16R2.83668 CC(=O)c1cc2ccccc2c(c1O)Br 1458a_100011255223_200000210301 [0,2,0,0,0,0|0,0,0]=2 3121 B16R2.83668 [13CH3]C(=O)c1cc2ccccc2c(c1O)Br 1458a_100011255223_200025704644 [0,2,0,0,0,0|0,0,0]=2 3122 B16R2.126889 CC(=O)c1cc2cccc(c2cc1O)O 1458a_200000029084_200000210301 [0,2,0,0,0,0|0,0,0]=2 3123 B16R2.126889 [13CH3]C(=O)c1cc2cccc(c2cc1O)O 1458a_200000029084_200025704644 [0,2,0,0,0,0|0,0,0]=2 3124 B16R2.442 CCC(NC)c1ccc2ccccc2c1 269862a_106832991636_200011220454 [0,2,0,0,0,0|1,0,1]=4 3125 B16R2.442 CCN(CC)c1ccc2ccccc2c1 2230a_100000220149_100000210202 [0,2,0,0,0,0|2,0,0]=4 3126 B16R2.442 CCN(CC)c1ccc2ccccc2c1 269982a_100000220149_100000204670 [0,2,0,0,0,0|2,0,0]=4 3127 B16R2.442 CCN(CC)c1ccc2ccccc2c1 34a_100000220149_100000210202 [0,2,0,0,0,0|2,0,0]=4 3128 B16R2.442 CCN(CC)c1ccc2ccccc2c1 7a_100000220149_100000210202 [0,2,0,0,0,0|2,0,0]=4 3129 B16R2.442 CCN(CF)c1ccc2ccccc2c1 269982a_100000220149_100015361967 [0,2,0,0,0,0|2,0,0]=4 3130 B16R2.442 CCN(CF)c1ccc2ccccc2c1 34a_100000220149_100015361967 [0,2,0,0,0,0|2,0,0]=4 3131 B16R2.442 CCN(CF)c1ccc2ccccc2c1 7a_100000220149_100015361967 [0,2,0,0,0,0|2,0,0]=4 3132 B16R2.442 CC[C@H](NC)c1ccc2ccccc2c1 2230a_100020639264_200000210301 [0,2,0,0,0,0|1,0,1]=4 3133 B16R2.442 CC[C@H](N[13CH3])c1ccc2ccccc2c1 2230a_100020639264_200025704644 [0,2,0,0,0,0|1,0,1]=4 3134 B16R2.442 COC(CN)c1ccc2ccccc2c1 34a_100000754022_200000210301 [0,2,0,0,0,0|0,0,2]=4 3135 B16R2.442 [13CH3]OC(CN)c1ccc2ccccc2c1 34a_100000754022_200025704644 [0,2,0,0,0,0|0,0,2]=4 3136 B16R2.767 C#CCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000184674 [0,2,0,0,0,0|1,0,1]=4 3137 B16R2.767 C#CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000184674 [0,2,0,0,0,0|0,0,0]=2 3138 B16R2.767 C#CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000184674 [0,2,0,0,0,0|1,0,0]=3 3139 B16R2.767 C#CCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000184674 [0,2,0,0,0,0|1,0,0]=3 3140 B16R2.767 C#CCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000184674 [0,2,0,0,0,0|1,0,0]=3 3141 B16R2.767 C#CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000184674 [0,2,0,0,0,0|1,0,0]=3 3142 B16R2.767 C#CCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000184674 [0,2,0,0,0,0|2,0,0]=4 3143 B16R2.767 C#CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000038162 [0,2,0,0,0,0|2,0,0]=4 3144 B16R2.767 C#CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000184674 [0,2,0,0,0,0|2,0,0]=4 3145 B16R2.767 C=CCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210623 [0,2,0,0,0,0|1,0,1]=4 3146 B16R2.767 C=CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210623 [0,2,0,0,0,0|0,0,0]=2 3147 B16R2.767 C=CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210623 [0,2,0,0,0,0|1,0,0]=3 3148 B16R2.767 C=CCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210623 [0,2,0,0,0,0|1,0,0]=3 3149 B16R2.767 C=CCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210623 [0,2,0,0,0,0|1,0,0]=3 3150 B16R2.767 C=CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210623 [0,2,0,0,0,0|1,0,0]=3 3151 B16R2.767 C=CCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210623 [0,2,0,0,0,0|2,0,0]=4 3152 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210623 [0,2,0,0,0,0|2,0,0]=4 3153 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210623 [0,2,0,0,0,0|2,0,0]=4 3154 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 34a_100000181211_100015514636 [0,2,0,0,0,0|2,0,0]=4 3155 B16R2.767 CC(OCF)c1ccc2ccccc2c1 34a_100011215343_100015361967 [0,2,0,0,0,0|0,0,2]=4 3156 B16R2.767 CC(OCF)c1ccc2ccccc2c1 7a_100011215343_100015361967 [0,2,0,0,0,0|0,0,2]=4 3157 B16R2.767 CCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210303 [0,2,0,0,0,0|1,0,1]=4 3158 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210303 [0,2,0,0,0,0|0,0,0]=2 3159 B16R2.767 CCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210303 [0,2,0,0,0,0|1,0,0]=3 3160 B16R2.767 CCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210303 [0,2,0,0,0,0|1,0,0]=3 3161 B16R2.767 CCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210303 [0,2,0,0,0,0|1,0,0]=3 3162 B16R2.767 CCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210303 [0,2,0,0,0,0|1,0,0]=3 3163 B16R2.767 CCCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210303 [0,2,0,0,0,0|2,0,0]=4 3164 B16R2.767 CCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210303 [0,2,0,0,0,0|2,0,0]=4 3165 B16R2.767 CCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210303 [0,2,0,0,0,0|2,0,0]=4 3166 B16R2.767 CCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210303 [0,2,0,0,0,0|2,0,0]=4 3167 B16R2.767 CCNC(=O)C1=Cc2ccccc2OC1 11a_100015525214_100000018039 [0,2,0,0,0,0|1,0,1]=4 3168 B16R2.767 CCNC(=O)C1=Cc2ccccc2OC1 240690a_100015525214_100000018039 [0,2,0,0,0,0|1,0,1]=4 3169 B16R2.767 CCNC(=O)C1=Cc2ccccc2OC1 527a_100015525214_100000018039 [0,2,0,0,0,0|1,0,1]=4 3170 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 11a_100015525214_100000210637 [0,2,0,0,0,0|0,0,0]=2 3171 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 240690a_100015525214_100000210637 [0,2,0,0,0,0|0,0,0]=2 3172 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 527a_100015525214_100000210637 [0,2,0,0,0,0|0,0,0]=2 3173 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 11a_100015525214_100011933907 [0,2,0,0,0,0|1,0,0]=3 3174 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 240690a_100015525214_100011933907 [0,2,0,0,0,0|1,0,0]=3 3175 B16R2.767 CCNC(=O)c1ccc2cccnc2c1 527a_100015525214_100011933907 [0,2,0,0,0,0|1,0,0]=3 3176 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 11a_100015525214_100000070124 [0,2,0,0,0,0|1,0,0]=3 3177 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 240690a_100015525214_100000070124 [0,2,0,0,0,0|1,0,0]=3 3178 B16R2.767 CCNC(=O)c1ccc2ccncc2c1 527a_100015525214_100000070124 [0,2,0,0,0,0|1,0,0]=3 3179 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 11a_100015525214_100011935275 [0,2,0,0,0,0|1,0,0]=3 3180 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 240690a_100015525214_100011935275 [0,2,0,0,0,0|1,0,0]=3 3181 B16R2.767 CCNC(=O)c1ccc2cnccc2c1 527a_100015525214_100011935275 [0,2,0,0,0,0|1,0,0]=3 3182 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 11a_100015525214_100011216044 [0,2,0,0,0,0|1,0,0]=3 3183 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 240690a_100015525214_100011216044 [0,2,0,0,0,0|1,0,0]=3 3184 B16R2.767 CCNC(=O)c1ccc2ncccc2c1 527a_100015525214_100011216044 [0,2,0,0,0,0|1,0,0]=3 3185 B16R2.767 CCNC(=O)c1ccc2nccnc2c1 11a_100015525214_100000184533 [0,2,0,0,0,0|2,0,0]=4 3186 B16R2.767 CCNC(=O)c1ccc2nccnc2c1 240690a_100015525214_100000184533 [0,2,0,0,0,0|2,0,0]=4 3187 B16R2.767 CCNC(=O)c1ccc2nccnc2c1 527a_100015525214_100000184533 [0,2,0,0,0,0|2,0,0]=4 3188 B16R2.767 CCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210202 [0,2,0,0,0,0|1,0,1]=4 3189 B16R2.767 CCNC(C)c1ccc2ccccc2c1 269862a_100015525214_100000210793 [0,2,0,0,0,0|1,0,1]=4 3190 B16R2.767 CCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000210202 [0,2,0,0,0,0|0,0,2]=4 3191 B16R2.767 CCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000210202 [0,2,0,0,0,0|0,0,2]=4 3192 B16R2.767 CN(CC#N)c1ccc2ccccc2c1 2230a_100000181211_100011215382 [0,2,0,0,0,0|2,0,0]=4 3193 B16R2.767 CN(CC#N)c1ccc2ccccc2c1 269982a_100000181211_100011214920 [0,2,0,0,0,0|2,0,0]=4 3194 B16R2.767 CN(CC=O)c1ccc2ccccc2c1 2230a_100000181211_200015260668 [0,2,0,0,0,0|1,0,0]=3 3195 B16R2.767 CN(CC=O)c1ccc2ccccc2c1 269982a_100000181211_200015260668 [0,2,0,0,0,0|1,0,0]=3 3196 B16R2.767 CN(CC=O)c1ccc2ccccc2c1 34a_100000181211_200009817547 [0,2,0,0,0,0|1,0,0]=3 3197 B16R2.767 CN(CCF)c1ccc2ccccc2c1 2230a_100000181211_100011217306 [0,2,0,0,0,0|2,0,0]=4 3198 B16R2.767 CN(CCF)c1ccc2ccccc2c1 269982a_100000181211_100011217306 [0,2,0,0,0,0|2,0,0]=4 3199 B16R2.767 CN(CCF)c1ccc2ccccc2c1 34a_100000181211_100011217306 [0,2,0,0,0,0|2,0,0]=4 3200 B16R2.767 CN(CCO)c1ccc2ccccc2c1 2230a_100000181211_100000211926 [0,2,0,0,0,0|1,0,1]=4 3201 B16R2.767 CN(CCO)c1ccc2ccccc2c1 269982a_100000181211_100000211926 [0,2,0,0,0,0|1,0,1]=4 3202 B16R2.767 CN(CCO)c1ccc2ccccc2c1 34a_100000181211_100000211926 [0,2,0,0,0,0|1,0,1]=4 3203 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 2230a_106832991635_100000211431 [0,2,0,0,0,0|0,0,0]=2 3204 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 7a_106832991635_100000211431 [0,2,0,0,0,0|0,0,0]=2 3205 B16R2.767 CNCC(O)c1ccc2ccccc2c1 2230a_100000754022_200000210301 [0,2,0,0,0,0|0,0,2]=4 3206 B16R2.767 CNCC(O)c1ccc2ccccc2c1 34a_100000754022_200000210301 [0,2,0,0,0,0|0,0,2]=4 3207 B16R2.767 CNNC(=O)C1=Cc2ccccc2OC1 22a_100016993582_100000018039 [0,2,0,0,0,0|1,0,1]=4 3208 B16R2.767 CNNC(=O)c1ccc2ccccc2c1 22a_100016993582_100000210637 [0,2,0,0,0,0|0,0,0]=2 3209 B16R2.767 CNNC(=O)c1ccc2cccnc2c1 22a_100016993582_100011933907 [0,2,0,0,0,0|1,0,0]=3 3210 B16R2.767 CNNC(=O)c1ccc2ccncc2c1 22a_100016993582_100000070124 [0,2,0,0,0,0|1,0,0]=3 3211 B16R2.767 CNNC(=O)c1ccc2cnccc2c1 22a_100016993582_100011935275 [0,2,0,0,0,0|1,0,0]=3 3212 B16R2.767 CNNC(=O)c1ccc2ncccc2c1 22a_100016993582_100011216044 [0,2,0,0,0,0|1,0,0]=3 3213 B16R2.767 CNNC(=O)c1ccc2nccnc2c1 22a_100016993582_100000184533 [0,2,0,0,0,0|2,0,0]=4 3214 B16R2.767 COCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000766300 [0,2,0,0,0,0|1,0,1]=4 3215 B16R2.767 COCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000766300 [0,2,0,0,0,0|1,0,1]=4 3216 B16R2.767 CSCC(=O)c1ccc2ccccc2c1 62a_100000211431_200000210301 [0,2,0,0,0,0|0,0,0]=2 3217 B16R2.767 CSCC(=O)c1ccc2ccccc2c1 62a_200000210301_100000211431 [0,2,0,0,0,0|0,0,0]=2 3218 B16R2.767 CSCN(C)c1ccc2ccccc2c1 2230a_100000181211_100011218213 [0,2,0,0,0,0|1,1,0]=4 3219 B16R2.767 CSCN(C)c1ccc2ccccc2c1 269982a_100000181211_100011218213 [0,2,0,0,0,0|1,1,0]=4 3220 B16R2.767 CSCN(C)c1ccc2ccccc2c1 34a_100000181211_100011218213 [0,2,0,0,0,0|1,1,0]=4 3221 B16R2.767 N#CCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100011214920 [0,2,0,0,0,0|1,0,1]=4 3222 B16R2.767 N#CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100011214920 [0,2,0,0,0,0|0,0,0]=2 3223 B16R2.767 N#CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100011214920 [0,2,0,0,0,0|1,0,0]=3 3224 B16R2.767 N#CCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100011214920 [0,2,0,0,0,0|1,0,0]=3 3225 B16R2.767 N#CCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100011214920 [0,2,0,0,0,0|1,0,0]=3 3226 B16R2.767 N#CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100011214920 [0,2,0,0,0,0|1,0,0]=3 3227 B16R2.767 N#CCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100011214920 [0,2,0,0,0,0|2,0,0]=4 3228 B16R2.767 O=C(CCF)C1=Cc2ccccc2OC1 1458a_100000018039_100011217306 [0,2,0,0,0,0|1,0,1]=4 3229 B16R2.767 O=C(CCF)c1ccc2ccccc2c1 1458a_100000210637_100011217306 [0,2,0,0,0,0|0,0,0]=2 3230 B16R2.767 O=C(CCF)c1ccc2cccnc2c1 1458a_100011933907_100011217306 [0,2,0,0,0,0|1,0,0]=3 3231 B16R2.767 O=C(CCF)c1ccc2ccncc2c1 1458a_100000070124_100011217306 [0,2,0,0,0,0|1,0,0]=3 3232 B16R2.767 O=C(CCF)c1ccc2cnccc2c1 1458a_100011935275_100011217306 [0,2,0,0,0,0|1,0,0]=3 3233 B16R2.767 O=C(CCF)c1ccc2ncccc2c1 1458a_100011216044_100011217306 [0,2,0,0,0,0|1,0,0]=3 3234 B16R2.767 O=C(CCF)c1ccc2nccnc2c1 1458a_100000184533_100011217306 [0,2,0,0,0,0|2,0,0]=4 3235 B16R2.767 O=C(CCO)C1=Cc2ccccc2OC1 1458a_100000018039_100000211926 [0,2,0,0,0,0|1,0,1]=4 3236 B16R2.767 O=C(CCO)c1ccc2ccccc2c1 1458a_100000210637_100000211926 [0,2,0,0,0,0|0,0,0]=2 3237 B16R2.767 O=C(CCO)c1ccc2cccnc2c1 1458a_100011933907_100000211926 [0,2,0,0,0,0|1,0,0]=3 3238 B16R2.767 O=C(CCO)c1ccc2ccncc2c1 1458a_100000070124_100000211926 [0,2,0,0,0,0|1,0,0]=3 3239 B16R2.767 O=C(CCO)c1ccc2cnccc2c1 1458a_100011935275_100000211926 [0,2,0,0,0,0|1,0,0]=3 3240 B16R2.767 O=C(CCO)c1ccc2ncccc2c1 1458a_100011216044_100000211926 [0,2,0,0,0,0|1,0,0]=3 3241 B16R2.767 O=C(CCO)c1ccc2nccnc2c1 1458a_100000184533_100000211926 [0,2,0,0,0,0|2,0,0]=4 3242 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 2230a_100000754022_200025704644 [0,2,0,0,0,0|0,0,2]=4 3243 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 34a_100000754022_200025704644 [0,2,0,0,0,0|0,0,2]=4 3244 B16R2.767 [13CH3]SCC(=O)c1ccc2ccccc2c1 62a_100000211431_200025704644 [0,2,0,0,0,0|0,0,0]=2 3245 B16R2.767 [13CH3]SCC(=O)c1ccc2ccccc2c1 62a_200025704644_100000211431 [0,2,0,0,0,0|0,0,0]=2 3246 B16R2.1205 CCC(=O)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_100000210202 [0,2,0,0,0,0|1,0,1]=4 3247 B16R2.1205 CCC(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_100000210202 [0,2,0,0,0,0|1,0,1]=4 3248 B16R2.1205 CCC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100000210202 [0,2,0,0,0,0|0,0,0]=2 3249 B16R2.1205 CCC(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_100000210202 [0,2,0,0,0,0|1,0,0]=3 3250 B16R2.1205 CNC(=O)C1=Cc2cc(ccc2OC1)Br 11a_106832991635_100000735388 [0,2,0,0,0,0|1,0,1]=4 3251 B16R2.1205 CNC(=O)C1=Cc2cc(ccc2OC1)Br 1626a_100102657272_100000735388 [0,2,0,0,0,0|1,0,1]=4 3252 B16R2.1205 CNC(=O)C1=Cc2cc(ccc2OC1)Br 240690a_100102657272_100000735388 [0,2,0,0,0,0|1,0,1]=4 3253 B16R2.1205 CNC(=O)C1=Cc2cc(ccc2OC1)Br 527a_100102657272_100000735388 [0,2,0,0,0,0|1,0,1]=4 3254 B16R2.1205 CNC(=O)C1=Cc2cc(ccc2OC1)Cl 11a_106832991635_100000020880 [0,2,0,0,0,0|1,0,1]=4 3255 B16R2.1205 CNC(=O)C1=Cc2cc(ccc2OC1)Cl 1626a_100102657272_100000020880 [0,2,0,0,0,0|1,0,1]=4 3256 B16R2.1205 CNC(=O)C1=Cc2cc(ccc2OC1)Cl 240690a_100102657272_100000020880 [0,2,0,0,0,0|1,0,1]=4 3257 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)Br 11a_106832991635_200010152650 [0,2,0,0,0,0|0,0,0]=2 3258 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)Br 1626a_100102657272_200010152650 [0,2,0,0,0,0|0,0,0]=2 3259 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)Br 240690a_100102657272_200010152650 [0,2,0,0,0,0|0,0,0]=2 3260 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)Br 527a_100102657272_200010152650 [0,2,0,0,0,0|0,0,0]=2 3261 B16R2.1205 CNC(=O)c1ccc2ccc(cc2c1)O 240690a_100102657272_100009860967 [0,2,0,0,0,0|0,0,0]=2 3262 B16R2.1205 CNC(=O)c1ccc2ncc(cc2c1)Br 11a_106832991635_100010130286 [0,2,0,0,0,0|1,0,0]=3 3263 B16R2.1205 CNC(=O)c1ccc2ncc(cc2c1)Br 1626a_100102657272_100010130286 [0,2,0,0,0,0|1,0,0]=3 3264 B16R2.1205 CNC(=O)c1ccc2ncc(cc2c1)Br 240690a_100102657272_100010130286 [0,2,0,0,0,0|1,0,0]=3 3265 B16R2.1205 CNC(=O)c1ccc2ncc(cc2c1)Br 527a_100102657272_100010130286 [0,2,0,0,0,0|1,0,0]=3 3266 B16R2.1205 COC(=O)C1=Cc2cc(ccc2OC1)O 271570a_203496583355_100011192627 [0,2,0,0,0,0|1,0,1]=4 3267 B16R2.1205 COC(=O)c1ccc2ccc(cc2n1)O 271570a_203496583355_200010096807 [0,2,0,0,0,0|1,0,0]=3 3268 B16R2.1205 COC(=O)c1ccc2ccc(nc2c1)O 271570a_203496583355_100010382898 [0,2,0,0,0,0|1,0,0]=3 3269 B16R2.1205 COC(=O)c1ccc2ncc(cc2c1)O 271570a_203496583355_100010124980 [0,2,0,0,0,0|1,0,0]=3 3270 B16R2.1205 O=C(CF)C1=Cc2cc(ccc2OC1)Br 1458a_100000735388_100015361967 [0,2,0,0,0,0|1,0,1]=4 3271 B16R2.1205 O=C(CF)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_100015361967 [0,2,0,0,0,0|1,0,1]=4 3272 B16R2.1205 O=C(CF)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100015361967 [0,2,0,0,0,0|0,0,0]=2 3273 B16R2.1205 O=C(CF)c1ccc2ncc(cc2c1)Br 1458a_100010130286_100015361967 [0,2,0,0,0,0|1,0,0]=3 3274 B16R2.1212 CCC(=O)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_100000210202 [0,2,0,0,0,0|1,0,0]=3 3275 B16R2.1212 CCC(=O)c1ccc2cncc(c2c1)Br 1458a_100015832970_100000210202 [0,2,0,0,0,0|1,0,0]=3 3276 B16R2.1212 CCC(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_100000210202 [0,2,0,0,0,0|1,0,0]=3 3277 B16R2.1212 CNC(=O)c1ccc2[nH]ccc(=O)c2c1 11a_106832991635_200009839989 [0,2,0,0,0,0|1,0,0]=3 3278 B16R2.1212 CNC(=O)c1ccc2[nH]ccc(=O)c2c1 240690a_100102657272_200009839989 [0,2,0,0,0,0|1,0,0]=3 3279 B16R2.1212 CNC(=O)c1ccc2[nH]ccc(=O)c2c1 527a_100102657272_200009839989 [0,2,0,0,0,0|1,0,0]=3 3280 B16R2.1212 CNC(=O)c1ccc2cncc(c2c1)Br 11a_106832991635_100015832970 [0,2,0,0,0,0|1,0,0]=3 3281 B16R2.1212 CNC(=O)c1ccc2cncc(c2c1)Br 1626a_100102657272_100015832970 [0,2,0,0,0,0|1,0,0]=3 3282 B16R2.1212 CNC(=O)c1ccc2cncc(c2c1)Br 240690a_100102657272_100015832970 [0,2,0,0,0,0|1,0,0]=3 3283 B16R2.1212 CNC(=O)c1ccc2cncc(c2c1)Br 527a_100102657272_100015832970 [0,2,0,0,0,0|1,0,0]=3 3284 B16R2.1212 CNC(=O)c1ccc2nccc(c2c1)Br 11a_106832991635_200010240029 [0,2,0,0,0,0|1,0,0]=3 3285 B16R2.1212 CNC(=O)c1ccc2nccc(c2c1)Br 1626a_100102657272_200010240029 [0,2,0,0,0,0|1,0,0]=3 3286 B16R2.1212 CNC(=O)c1ccc2nccc(c2c1)Br 240690a_100102657272_200010240029 [0,2,0,0,0,0|1,0,0]=3 3287 B16R2.1212 CNC(=O)c1ccc2nccc(c2c1)Br 527a_100102657272_200010240029 [0,2,0,0,0,0|1,0,0]=3 3288 B16R2.1212 COC(=O)c1ccc2cccc(c2n1)O 271570a_203496583355_100012345875 [0,2,0,0,0,0|1,0,0]=3 3289 B16R2.1212 COC(=O)c1ccc2nccc(c2c1)O 271570a_203496583355_100010168892 [0,2,0,0,0,0|1,0,0]=3 3290 B16R2.1212 O=C(CF)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_100015361967 [0,2,0,0,0,0|1,0,0]=3 3291 B16R2.1212 O=C(CF)c1ccc2cncc(c2c1)Br 1458a_100015832970_100015361967 [0,2,0,0,0,0|1,0,0]=3 3292 B16R2.1212 O=C(CF)c1ccc2nccc(c2c1)Br 1458a_200010240029_100015361967 [0,2,0,0,0,0|1,0,0]=3 3293 B16R2.3864 CNS(=O)(=O)c1ccc2ccccc2c1 270084a_100102657272_100000210365 [0,2,0,0,0,0|1,0,0]=3 3294 B16R2.3864 CNS(=O)(=O)c1ccc2ccccc2c1 274078a_100102657272_100000210365 [0,2,0,0,0,0|1,0,0]=3 3295 B16R2.33799 CCC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100000210202 [0,2,0,0,0,0|0,0,0]=2 3296 B16R2.33799 CCC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100000210202 [0,2,0,0,0,0|0,0,0]=2 3297 B16R2.33799 CCC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_100000210202 [0,2,0,0,0,0|0,0,0]=2 3298 B16R2.33799 CCC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_100000210202 [0,2,0,0,0,0|1,0,0]=3 3299 B16R2.33799 CCC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_100000210202 [0,2,0,0,0,0|1,0,0]=3 3300 B16R2.33799 CCC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_100000210202 [0,2,0,0,0,0|1,0,0]=3 3301 B16R2.33799 CCC(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_100000210202 [0,2,0,0,0,0|1,0,0]=3 3302 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br 11a_106832991635_100000759775 [0,2,0,0,0,0|0,0,0]=2 3303 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br 1626a_100102657272_100000759775 [0,2,0,0,0,0|0,0,0]=2 3304 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br 240690a_100102657272_100000759775 [0,2,0,0,0,0|0,0,0]=2 3305 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Br 527a_100102657272_100000759775 [0,2,0,0,0,0|0,0,0]=2 3306 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Cl 11a_106832991635_200010245464 [0,2,0,0,0,0|0,0,0]=2 3307 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Cl 1626a_100102657272_200010245464 [0,2,0,0,0,0|0,0,0]=2 3308 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Cl 240690a_100102657272_200010245464 [0,2,0,0,0,0|0,0,0]=2 3309 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)Cl 527a_100102657272_200010245464 [0,2,0,0,0,0|0,0,0]=2 3310 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)F 11a_106832991635_200000042716 [0,2,0,0,0,0|0,0,0]=2 3311 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)F 1626a_100102657272_200000042716 [0,2,0,0,0,0|0,0,0]=2 3312 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)F 240690a_100102657272_200000042716 [0,2,0,0,0,0|0,0,0]=2 3313 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)F 527a_100102657272_200000042716 [0,2,0,0,0,0|0,0,0]=2 3314 B16R2.33799 CNC(=O)c1ccc2cc(ccc2c1)O 240690a_100102657272_100000234869 [0,2,0,0,0,0|0,0,0]=2 3315 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)C 11a_106832991635_100000691375 [0,2,0,0,0,0|1,0,0]=3 3316 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)C 1626a_100102657272_100000691375 [0,2,0,0,0,0|1,0,0]=3 3317 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)C 240690a_100102657272_100000691375 [0,2,0,0,0,0|1,0,0]=3 3318 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)C 527a_100102657272_100000691375 [0,2,0,0,0,0|1,0,0]=3 3319 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)Cl 11a_106832991635_100000740145 [0,2,0,0,0,0|1,0,0]=3 3320 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)Cl 1626a_100102657272_100000740145 [0,2,0,0,0,0|1,0,0]=3 3321 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)Cl 240690a_100102657272_100000740145 [0,2,0,0,0,0|1,0,0]=3 3322 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)Cl 527a_100102657272_100000740145 [0,2,0,0,0,0|1,0,0]=3 3323 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)O 240690a_100102657272_100015838258 [0,2,0,0,0,0|1,0,0]=3 3324 B16R2.33799 CNC(=O)c1ccc2nc(ccc2c1)O 527a_100102657272_100015838258 [0,2,0,0,0,0|1,0,0]=3 3325 B16R2.33799 CNC(=O)c1ccc2oc(=O)ccc2c1 11a_106832991635_200000082590 [0,2,0,0,0,0|1,0,0]=3 3326 B16R2.33799 CNC(=O)c1ccc2oc(=O)ccc2c1 1626a_100102657272_200000082590 [0,2,0,0,0,0|1,0,0]=3 3327 B16R2.33799 CNC(=O)c1ccc2oc(=O)ccc2c1 240690a_100102657272_200000082590 [0,2,0,0,0,0|1,0,0]=3 3328 B16R2.33799 CNC(=O)c1ccc2oc(=O)ccc2c1 527a_100102657272_200000082590 [0,2,0,0,0,0|1,0,0]=3 3329 B16R2.33799 CNC(C)c1ccc2cc(ccc2c1)Br 269862a_106832991636_100012339427 [0,2,0,0,0,0|1,0,1]=4 3330 B16R2.33799 CNC(C)c1ccc2cc(ccc2c1)O 269862a_106832991636_100000074906 [0,2,0,0,0,0|1,0,1]=4 3331 B16R2.33799 COC(=O)C1=Cc2ccc(cc2OC1)O 271570a_203496583355_100010168985 [0,2,0,0,0,0|1,0,1]=4 3332 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100011218122 [0,2,0,0,0,0|0,0,0]=2 3333 B16R2.33799 COC(=O)c1ccc2cc(ccc2n1)O 271570a_203496583355_100012354044 [0,2,0,0,0,0|1,0,0]=3 3334 B16R2.33799 COC(=O)c1ccc2nc(ccc2c1)O 271570a_203496583355_100000047742 [0,2,0,0,0,0|1,0,0]=3 3335 B16R2.33799 COC(=O)c1ccc2nc(ncc2c1)O 271570a_203496583355_100010090768 [0,2,0,0,0,0|2,0,0]=4 3336 B16R2.33799 COC(=O)c1cnc2cc(ccc2c1)O 271570a_203496583355_100010209555 [0,2,0,0,0,0|1,0,0]=3 3337 B16R2.33799 Cc1ccc2cc(ccc2n1)C(=O)CF 1458a_100000691375_100015361967 [0,2,0,0,0,0|1,0,0]=3 3338 B16R2.33799 O=C(CF)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100015361967 [0,2,0,0,0,0|0,0,0]=2 3339 B16R2.33799 O=C(CF)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100015361967 [0,2,0,0,0,0|0,0,0]=2 3340 B16R2.33799 O=C(CF)c1ccc2cc(ccc2c1)F 1458a_200000042716_100015361967 [0,2,0,0,0,0|0,0,0]=2 3341 B16R2.33799 O=C(CF)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_100015361967 [0,2,0,0,0,0|1,0,0]=3 3342 B16R2.33799 O=C(CF)c1ccc2nc(ccc2c1)O 1458a_100015838258_100015361967 [0,2,0,0,0,0|1,0,0]=3 3343 B16R2.33799 O=C(CF)c1ccc2oc(=O)ccc2c1 1458a_200000082590_100015361967 [0,2,0,0,0,0|1,0,0]=3 3344 B16R2.33887 CCC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_100000210202 [0,2,0,0,0,0|1,0,0]=3 3345 B16R2.33887 CCC(=O)c1cc(c2nccnc2c1)Br 1458a_100010367197_100000210202 [0,2,0,0,0,0|2,0,0]=4 3346 B16R2.33887 CNC(=O)c1cc(c2ncccc2c1)O 240690a_100102657272_200009880037 [0,2,0,0,0,0|1,0,0]=3 3347 B16R2.33887 CNC(=O)c1cc(c2nccnc2c1)Br 11a_106832991635_100010367197 [0,2,0,0,0,0|2,0,0]=4 3348 B16R2.33887 CNC(=O)c1cc(c2nccnc2c1)Br 1626a_100102657272_100010367197 [0,2,0,0,0,0|2,0,0]=4 3349 B16R2.33887 CNC(=O)c1cc(c2nccnc2c1)Br 240690a_100102657272_100010367197 [0,2,0,0,0,0|2,0,0]=4 3350 B16R2.33887 CNC(=O)c1cc(c2nccnc2c1)Br 527a_100102657272_100010367197 [0,2,0,0,0,0|2,0,0]=4 3351 B16R2.33887 O=C(CF)c1cc(c2ncccc2c1)O 1458a_200009880037_100015361967 [0,2,0,0,0,0|1,0,0]=3 3352 B16R2.33887 O=C(CF)c1cc(c2nccnc2c1)Br 1458a_100010367197_100015361967 [0,2,0,0,0,0|2,0,0]=4 3353 B16R2.173132 CCC(=O)c1ccc2c(=O)[nH]ccc2c1 1458a_200015497760_100000210202 [0,2,0,0,0,0|1,0,0]=3 3354 B16R2.173132 CCC(=O)c1ccc2c(=O)[nH]cnc2c1 1458a_100011298682_100000210202 [0,2,0,0,0,0|2,0,0]=4 3355 B16R2.173132 CCC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_100000210202 [0,2,0,0,0,0|0,0,0]=2 3356 B16R2.173132 CCC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100000210202 [0,2,0,0,0,0|0,0,0]=2 3357 B16R2.173132 CCC(=O)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_100000210202 [0,2,0,0,0,0|1,0,0]=3 3358 B16R2.173132 CCC(=O)c1ccc2c(nccc2c1)Cl 1458a_100010201666_100000210202 [0,2,0,0,0,0|1,0,0]=3 3359 B16R2.173132 CNC(=O)c1ccc2c(=O)[nH]ccc2c1 240690a_100102657272_200015497760 [0,2,0,0,0,0|1,0,0]=3 3360 B16R2.173132 CNC(=O)c1ccc2c(=O)[nH]ccc2c1 527a_100102657272_200015497760 [0,2,0,0,0,0|1,0,0]=3 3361 B16R2.173132 CNC(=O)c1ccc2c(=O)[nH]cnc2c1 240690a_100102657272_100011298682 [0,2,0,0,0,0|2,0,0]=4 3362 B16R2.173132 CNC(=O)c1ccc2c(=O)[nH]cnc2c1 527a_100102657272_100011298682 [0,2,0,0,0,0|2,0,0]=4 3363 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Br 11a_106832991635_100000691321 [0,2,0,0,0,0|0,0,0]=2 3364 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Br 1626a_100102657272_100000691321 [0,2,0,0,0,0|0,0,0]=2 3365 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Br 240690a_100102657272_100000691321 [0,2,0,0,0,0|0,0,0]=2 3366 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Br 527a_100102657272_100000691321 [0,2,0,0,0,0|0,0,0]=2 3367 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Cl 11a_106832991635_100010089951 [0,2,0,0,0,0|0,0,0]=2 3368 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Cl 1626a_100102657272_100010089951 [0,2,0,0,0,0|0,0,0]=2 3369 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Cl 240690a_100102657272_100010089951 [0,2,0,0,0,0|0,0,0]=2 3370 B16R2.173132 CNC(=O)c1ccc2c(cccc2c1)Cl 527a_100102657272_100010089951 [0,2,0,0,0,0|0,0,0]=2 3371 B16R2.173132 CNC(=O)c1ccc2c(ccnc2c1)Cl 11a_106832991635_100010240032 [0,2,0,0,0,0|1,0,0]=3 3372 B16R2.173132 CNC(=O)c1ccc2c(ccnc2c1)Cl 1626a_100102657272_100010240032 [0,2,0,0,0,0|1,0,0]=3 3373 B16R2.173132 CNC(=O)c1ccc2c(ccnc2c1)Cl 240690a_100102657272_100010240032 [0,2,0,0,0,0|1,0,0]=3 3374 B16R2.173132 CNC(=O)c1ccc2c(ccnc2c1)Cl 527a_100102657272_100010240032 [0,2,0,0,0,0|1,0,0]=3 3375 B16R2.173132 CNC(=O)c1ccc2c(nccc2c1)Cl 11a_106832991635_100010201666 [0,2,0,0,0,0|1,0,0]=3 3376 B16R2.173132 CNC(=O)c1ccc2c(nccc2c1)Cl 1626a_100102657272_100010201666 [0,2,0,0,0,0|1,0,0]=3 3377 B16R2.173132 CNC(=O)c1ccc2c(nccc2c1)Cl 240690a_100102657272_100010201666 [0,2,0,0,0,0|1,0,0]=3 3378 B16R2.173132 CNC(=O)c1ccc2c(nccc2c1)Cl 527a_100102657272_100010201666 [0,2,0,0,0,0|1,0,0]=3 3379 B16R2.173132 COC(=O)c1ccc2c(cccc2c1)O 271570a_203496583355_100010188500 [0,2,0,0,0,0|0,0,0]=2 3380 B16R2.173132 COC(=O)c1ccc2c(cccc2n1)O 271570a_203496583355_100010275744 [0,2,0,0,0,0|1,0,0]=3 3381 B16R2.173132 COC(=O)c1ccc2c(ccnc2c1)O 271570a_203496583355_100010143524 [0,2,0,0,0,0|1,0,0]=3 3382 B16R2.173132 COC(=O)c1ccc2c(nccc2c1)O 271570a_203496583355_100010291108 [0,2,0,0,0,0|1,0,0]=3 3383 B16R2.173132 COC(=O)c1ccc2c(ncnc2c1)O 271570a_203496583355_100000059799 [0,2,0,0,0,0|2,0,0]=4 3384 B16R2.173132 COC(=O)c1cnc2c(cccc2c1)O 271570a_203496583355_100010124613 [0,2,0,0,0,0|1,0,0]=3 3385 B16R2.173132 O=C(CF)c1ccc2c(=O)[nH]ccc2c1 1458a_200015497760_100015361967 [0,2,0,0,0,0|1,0,0]=3 3386 B16R2.173132 O=C(CF)c1ccc2c(=O)[nH]cnc2c1 1458a_100011298682_100015361967 [0,2,0,0,0,0|2,0,0]=4 3387 B16R2.173132 O=C(CF)c1ccc2c(cccc2c1)Br 1458a_100000691321_100015361967 [0,2,0,0,0,0|0,0,0]=2 3388 B16R2.173132 O=C(CF)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100015361967 [0,2,0,0,0,0|0,0,0]=2 3389 B16R2.173132 O=C(CF)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_100015361967 [0,2,0,0,0,0|1,0,0]=3 3390 B16R2.173132 O=C(CF)c1ccc2c(nccc2c1)Cl 1458a_100010201666_100015361967 [0,2,0,0,0,0|1,0,0]=3 3391 B16R2.126901 CS(=O)(=O)c1ccc2nccc(c2c1)O 271570a_203496583355_200010263595 [0,2,0,0,0,0|2,0,0]=4 3392 B16R2.3885 C=C(C)c1ccc2cc(c(nc2c1)Cl)Br 271570a_100000694244_100135414633 [0,2,0,0,0,0|2,0,0]=4 3393 B16R2.3885 C=C(C)c1ccc2nc(c(cc2c1)C)N 271570a_100000694244_100011830096 [0,2,0,0,0,0|2,0,0]=4 3394 B16R2.3885 CC(=O)c1ccc2nc(c(nc2c1)C)C 1458a_100000007943_200000210301 [0,2,0,0,0,0|2,0,0]=4 3395 B16R2.3885 Cc1nc2ccc(cc2nc1C)C(=O)[13CH3] 1458a_100000007943_200025704644 [0,2,0,0,0,0|2,0,0]=4 3396 B16R2.7476 C=C(C)c1ccc2ccc(cc2c1)C=O 271570a_100000694244_100010200085 [0,2,0,0,0,0|1,0,0]=3 3397 B16R2.7476 C=C(C)c1ccc2ccc(cc2c1)OC 271570a_100000694244_100010090027 [0,2,0,0,0,0|1,0,0]=3 3398 B16R2.7476 C=C(C)c1ccc2ccc(cc2n1)OC 271570a_100000694244_100009877240 [0,2,0,0,0,0|2,0,0]=4 3399 B16R2.7476 C=C(C)c1ccc2ccc(nc2c1)OC 271570a_100000694244_100010248626 [0,2,0,0,0,0|2,0,0]=4 3400 B16R2.7476 C=C(C)c1ccc2ncc(cc2c1)C#N 271570a_100000694244_100010885934 [0,2,0,0,0,0|2,0,0]=4 3401 B16R2.7476 C=C(C)c1ccc2ncc(cc2c1)C=O 271570a_100000694244_100010174008 [0,2,0,0,0,0|2,0,0]=4 3402 B16R2.7476 C=C(C)c1cnc2ccc(cc2c1)OC 271570a_100000694244_100000700671 [0,2,0,0,0,0|2,0,0]=4 3403 B16R2.7476 C=Cc1cnc2ccc(cc2c1)C(=O)C 271570a_100011290941_100010254247 [0,2,0,0,0,0|1,0,0]=3 3404 B16R2.7476 CC(=O)c1ccc2ncc(cc2c1)S[13CH3] 62a_100010254247_200025704644 [0,2,0,0,0,0|1,0,0]=3 3405 B16R2.7476 CC(=O)c1ccc2ncc(cc2c1)S[13CH3] 62a_200025704644_100010254247 [0,2,0,0,0,0|1,0,0]=3 3406 B16R2.7476 COc1ccc2c(c1)C=C(CO2)C(=O)C 1458a_100000025536_200000210301 [0,2,0,0,0,0|1,0,1]=4 3407 B16R2.7476 COc1ccc2c(c1)C=C(CO2)C(=O)[13CH3] 1458a_100000025536_200025704644 [0,2,0,0,0,0|1,0,1]=4 3408 B16R2.7476 CSc1cnc2ccc(cc2c1)C(=O)C 62a_100010254247_200000210301 [0,2,0,0,0,0|1,0,0]=3 3409 B16R2.7476 CSc1cnc2ccc(cc2c1)C(=O)C 62a_200000210301_100010254247 [0,2,0,0,0,0|1,0,0]=3 3410 B16R2.11976 C=C(C)c1ccc2ccc(=O)n(c2c1)C 271570a_100000694244_200010167779 [0,2,0,0,0,0|2,0,0]=4 3411 B16R2.11976 C=C(C)c1ccc2ccn(c(=O)c2c1)C 271570a_100000694244_100010371002 [0,2,0,0,0,0|2,0,0]=4 3412 B16R2.11976 CC(=O)c1ccc2ncc(c(c2c1)O)Br 1458a_200011066895_200000210301 [0,2,0,0,0,0|1,0,0]=3 3413 B16R2.11976 [13CH3]C(=O)c1ccc2ncc(c(c2c1)O)Br 1458a_200011066895_200025704644 [0,2,0,0,0,0|1,0,0]=3 3414 B16R2.26103 C=C(C)c1ccc2c(=O)[nH]c(cc2c1)C 271570a_100000694244_100010883700 [0,2,0,0,0,0|2,0,0]=4 3415 B16R2.26103 C=C(C)c1ccc2c(cc(=O)oc2c1)O 271570a_100000694244_100010062223 [0,2,0,0,0,0|2,0,0]=4 3416 B16R2.26103 C=C(C)c1cnc2c(cc(cc2c1)N)F 271570a_100000694244_100010780968 [0,2,0,0,0,0|2,0,0]=4 3417 B16R2.133406 C=C(C)c1cc(c2ccc(cc2n1)N)C 271570a_100000694244_100000103534 [0,2,0,0,0,0|2,0,0]=4 3418 B16R2.7486 C=C(C)c1ccc2cc(ccc2c1)C=O 271570a_100000694244_100012356508 [0,2,0,0,0,0|1,0,0]=3 3419 B16R2.7486 C=C(C)c1ccc2cc(ccc2c1)CO 271570a_100000694244_100012356509 [0,2,0,0,0,0|1,0,0]=3 3420 B16R2.7486 C=C(C)c1ccc2cc(ccc2c1)OC 271570a_100000694244_100000170439 [0,2,0,0,0,0|1,0,0]=3 3421 B16R2.7486 C=C(C)c1ccc2cc(ccc2n1)C#N 271570a_100000694244_100000091635 [0,2,0,0,0,0|2,0,0]=4 3422 B16R2.7486 C=C(C)c1ccc2cc(ccc2n1)C=O 271570a_100000694244_100000087602 [0,2,0,0,0,0|2,0,0]=4 3423 B16R2.7486 C=C(C)c1ccc2cc(ccc2n1)OC 271570a_100000694244_100000743015 [0,2,0,0,0,0|2,0,0]=4 3424 B16R2.7486 C=C(C)c1ccc2cc(cnc2c1)C#N 271570a_100000694244_100010751502 [0,2,0,0,0,0|2,0,0]=4 3425 B16R2.7486 C=C(C)c1ccc2nc(ccc2c1)C#N 271570a_100000694244_200012353941 [0,2,0,0,0,0|2,0,0]=4 3426 B16R2.7486 C=C(C)c1ccc2nc(ccc2c1)NC 271570a_100000694244_200012034361 [0,2,0,0,0,0|2,0,0]=4 3427 B16R2.7486 C=C(C)c1ccc2nc(ccc2c1)OC 271570a_100000694244_100009817092 [0,2,0,0,0,0|2,0,0]=4 3428 B16R2.7486 C=C(C)c1cnc2cc(ccc2c1)C=O 271570a_100000694244_100010114372 [0,2,0,0,0,0|2,0,0]=4 3429 B16R2.7486 C=Cc1ccc2cc(ccc2c1)C(=O)C 271570a_100011290941_100012339427 [0,2,0,0,0,0|0,0,0]=2 3430 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)O[13CH3] 34a_100000074906_200025704644 [0,2,0,0,0,0|0,0,0]=2 3431 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)O[13CH3] 7a_100000074906_200025704644 [0,2,0,0,0,0|0,0,0]=2 3432 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)S[13CH3] 62a_100012339427_200025704644 [0,2,0,0,0,0|0,0,0]=2 3433 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100012339427 [0,2,0,0,0,0|0,0,0]=2 3434 B16R2.7486 CNc1ccc2cc(ccc2c1)[N+](=O)[O-] 34a_100016126453_200000210301 [0,2,0,0,0,0|2,0,0]=4 3435 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)C 1458a_100000189627_200000210301 [0,2,0,0,0,0|0,0,0]=2 3436 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)C 34a_100000074906_200000210301 [0,2,0,0,0,0|0,0,0]=2 3437 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)C 7a_100000074906_200000210301 [0,2,0,0,0,0|0,0,0]=2 3438 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)[13CH3] 1458a_100000189627_200025704644 [0,2,0,0,0,0|0,0,0]=2 3439 B16R2.7486 CSc1ccc2cc(ccc2c1)C(=O)C 62a_100012339427_200000210301 [0,2,0,0,0,0|0,0,0]=2 3440 B16R2.7486 CSc1ccc2cc(ccc2c1)C(=O)C 62a_200000210301_100012339427 [0,2,0,0,0,0|0,0,0]=2 3441 B16R2.7486 [13CH3]Nc1ccc2cc(ccc2c1)[N+](=O)[O-] 34a_100016126453_200025704644 [0,2,0,0,0,0|2,0,0]=4 3442 B16R2.11989 C=C(C)c1ccc2c(=O)n(ccc2c1)C 271570a_100000694244_100010246303 [0,2,0,0,0,0|2,0,0]=4 3443 B16R2.11989 C=C(C)c1ccc2c(c(ccc2c1)O)F 271570a_100000694244_100010730138 [0,2,0,0,0,0|1,0,0]=3 3444 B16R2.11989 C=C(C)c1ccc2c(c1)C=CC(=O)C2=O 271570a_100000694244_100009812793 [0,2,0,0,0,0|1,0,0]=3 3445 B16R2.11989 CC(=O)c1ccc2c(=O)n(cnc2c1)C 1458a_100015183741_200000210301 [0,2,0,0,0,0|2,0,0]=4 3446 B16R2.11989 Cn1cnc2cc(ccc2c1=O)C(=O)[13CH3] 1458a_100015183741_200025704644 [0,2,0,0,0,0|2,0,0]=4 3447 B16R2.23501 C=C(C)c1cc(c2[nH]c(=O)ccc2c1)F 271570a_100000694244_100012034177 [0,2,0,0,0,0|2,0,0]=4 3448 B16R2.23501 C=C(C)c1cc(c2cc(ccc2c1)O)F 271570a_100000694244_100010201084 [0,2,0,0,0,0|1,0,0]=3 3449 B16R2.23501 C=C(C)c1cc(c2cc(ccc2n1)F)C 271570a_100000694244_200000079853 [0,2,0,0,0,0|2,0,0]=4 3450 B16R2.26112 C=C(C)c1ccc2[nH]c(=O)cc(c2c1)C 271570a_100000694244_100009820897 [0,2,0,0,0,0|2,0,0]=4 3451 B16R2.26112 C=C(C)c1ccc2[nH]c(=O)cc(c2c1)O 271570a_100000694244_100000695641 [0,2,0,0,0,0|2,0,0]=4 3452 B16R2.26112 C=C(C)c1ccc2[nH]c(cc(=O)c2c1)C 271570a_100000694244_100011333642 [0,2,0,0,0,0|2,0,0]=4 3453 B16R2.26112 C=C(C)c1ccc2cc(cc(c2n1)C)C 271570a_100000694244_200012017542 [0,2,0,0,0,0|2,0,0]=4 3454 B16R2.26112 C=C(C)c1ccc2nc(cc(c2c1)N)C 271570a_100000694244_100000238323 [0,2,0,0,0,0|2,0,0]=4 3455 B16R2.26112 C=C(C)c1ccc2oc(=O)cc(c2c1)O 271570a_100000694244_100009814091 [0,2,0,0,0,0|2,0,0]=4 3456 B16R2.26112 CC(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 1458a_100102525069_200000210301 [0,2,0,0,0,0|2,0,0]=4 3457 B16R2.26112 CC(=O)c1ccc2[nH]c(cc(=O)c2c1)C 1458a_100000023266_200000210301 [0,2,0,0,0,0|1,0,0]=3 3458 B16R2.26112 Cc1cc(=O)c2cc(ccc2[nH]1)C(=O)[13CH3] 1458a_100000023266_200025704644 [0,2,0,0,0,0|1,0,0]=3 3459 B16R2.26112 [13CH3]C(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 1458a_100102525069_200025704644 [0,2,0,0,0,0|2,0,0]=4 3460 B16R2.36806 C=C(C)c1ccc2c(cccc2n1)OC 271570a_100000694244_100010382897 [0,2,0,0,0,0|2,0,0]=4 3461 B16R2.36806 C=C(C)c1ccc2c(ccnc2c1)OC 271570a_100000694244_100010204255 [0,2,0,0,0,0|2,0,0]=4 3462 B16R2.36806 COc1cccc2c1OCC(=C2)C(=O)C 1458a_100000025528_200000210301 [0,2,0,0,0,0|1,0,1]=4 3463 B16R2.36806 COc1cccc2c1OCC(=C2)C(=O)[13CH3] 1458a_100000025528_200025704644 [0,2,0,0,0,0|1,0,1]=4 3464 B16R2.22890 C=C(C)c1cc(c2[nH]ccc(=O)c2c1)F 271570a_100000694244_100000749450 [0,2,0,0,0,0|2,0,0]=4 3465 B16R2.22890 C=C(C)c1cc(c2cccc(c2n1)C)C 271570a_100000694244_100000008058 [0,2,0,0,0,0|2,0,0]=4 3466 B16R2.40082 C=C(C)c1cc(c2ccccc2n1)OC 271570a_100000694244_200010892118 [0,2,0,0,0,0|2,0,0]=4 3467 B16R2.40082 C=C(C)c1cc(c2cccnc2c1)OC 271570a_100000694244_100010248854 [0,2,0,0,0,0|2,0,0]=4 3468 B16R2.40082 C=C(C)c1cc(c2ncccc2c1)OC 271570a_100000694244_100010248852 [0,2,0,0,0,0|2,0,0]=4 3469 B16R2.189541 C=C(C)c1ccc2cccc(c2n1)OC 271570a_100000694244_200011787714 [0,2,0,0,0,0|2,0,0]=4 3470 B16R2.189541 C=C(C)c1ccc2ccnc(c2c1)OC 271570a_100000694244_200011098638 [0,2,0,0,0,0|2,0,0]=4 3471 B16R2.189541 C=C(C)c1ccc2nccc(c2c1)C=O 271570a_100000694244_100010176920 [0,2,0,0,0,0|2,0,0]=4 3472 B16R2.189541 C=C(C)c1ccc2nccc(c2c1)NC 271570a_100000694244_200011620572 [0,2,0,0,0,0|2,0,0]=4 3473 B16R2.189541 C=C(C)c1ccc2nccc(c2c1)OC 271570a_100000694244_100009816692 [0,2,0,0,0,0|2,0,0]=4 3474 B14R2.2 CC(=Cc1coc2c1cccc2)C 271570a_100102525489_100009812202 [0,0,1,1,0,0|2,0,0]=4 3475 B14R2.2 CC(=Cc1csc2c1cccc2)C 271570a_100102525489_100009813928 [0,0,1,1,0,0|2,0,0]=4 3476 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [0,0,1,1,0,0|1,0,1]=4 3477 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,0,1,1,0,0|1,0,1]=4 3478 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000070787_200000742921 [0,0,1,1,0,0|1,0,1]=4 3479 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000741031_200000210301 [0,0,1,1,0,0|1,0,1]=4 3480 B14R2.2 CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_200000210301 [0,0,1,1,0,0|1,0,1]=4 3481 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [0,0,1,1,0,0|1,0,1]=4 3482 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,0,1,1,0,0|1,0,1]=4 3483 B14R2.2 [13CH3]C(=O)Cc1csc2c1cccc2 1458a_100000741031_200025704644 [0,0,1,1,0,0|1,0,1]=4 3484 B14R2.2 [13CH3]C(=O)Cn1ccc2c1cccc2 1458a_100000743657_200025704644 [0,0,1,1,0,0|1,0,1]=4 3485 B14R2.1073 C=Cc1cccc2c1CCC(=O)C2 271570a_100011290941_100010138409 [0,0,1,1,0,0|0,0,2]=4 3486 B14R2.1073 C=Cc1cccc2c1ccc(=O)[nH]2 271570a_100011290941_100000726145 [0,0,1,1,0,0|1,0,0]=3 3487 B14R2.1073 C=Cc1cccc2c1ccc(n2)C 271570a_100011290941_100010173736 [0,0,1,1,0,0|1,0,0]=3 3488 B14R2.1073 C=Cc1cccc2c1ccc(n2)N 271570a_100011290941_100000723655 [0,0,1,1,0,0|2,0,0]=4 3489 B14R2.1073 C=Cc1nccc2c1ccc(c2)C 271570a_100011290941_100000102439 [0,0,1,1,0,0|2,0,0]=4 3490 B14R2.256 Cc1ccc(o1)c2ccccc2Br 271570a_100000061910_100000695589 [0,0,1,1,0,0|1,0,1]=4 3491 B14R2.256 Cc1ccc(o1)c2ccccc2C 271570a_100000061910_100000210755 [0,0,1,1,0,0|0,0,2]=4 3492 B14R2.256 Cc1ccc(o1)c2ccccc2Cl 271570a_100000061910_100000764095 [0,0,1,1,0,0|1,0,1]=4 3493 B14R2.256 Cc1ccc(o1)c2ccccc2F 271570a_100000061910_100011215700 [0,0,1,1,0,0|1,0,1]=4 3494 B14R2.256 Cc1ccc(o1)c2ccccc2N 271570a_100000061910_100000210017 [0,0,1,1,0,0|1,0,1]=4 3495 B14R2.256 Cc1ccc(o1)c2ccccc2O 271570a_100000061910_100000739446 [0,0,1,1,0,0|1,0,1]=4 3496 B14R2.256 Cc1ccc(s1)c2ccccc2Br 271570a_100011934456_100000695589 [0,0,1,1,0,0|1,1,0]=4 3497 B14R2.256 Cc1ccc(s1)c2ccccc2C 271570a_100000747142_100000761539 [0,0,1,1,0,0|0,1,1]=4 3498 B14R2.256 Cc1ccc(s1)c2ccccc2C 271570a_100011934456_100000210755 [0,0,1,1,0,0|0,1,1]=4 3499 B14R2.256 Cc1ccc(s1)c2ccccc2Cl 271570a_100011934419_100000761539 [0,0,1,1,0,0|1,1,0]=4 3500 B14R2.256 Cc1ccc(s1)c2ccccc2Cl 271570a_100011934456_100000764095 [0,0,1,1,0,0|1,1,0]=4 3501 B14R2.256 Cc1ccc(s1)c2ccccc2F 271570a_100000761933_100000761539 [0,0,1,1,0,0|1,1,0]=4 3502 B14R2.256 Cc1ccc(s1)c2ccccc2F 271570a_100011934456_100011215700 [0,0,1,1,0,0|1,1,0]=4 3503 B14R2.256 Cc1ccc(s1)c2ccccc2I 271570a_100000069755_100000761539 [0,0,1,1,0,0|1,1,0]=4 3504 B14R2.256 Cc1ccc(s1)c2ccccc2N 271570a_100000034411_100000761539 [0,0,1,1,0,0|1,1,0]=4 3505 B14R2.256 Cc1ccc(s1)c2ccccc2N 271570a_100011934456_100000210017 [0,0,1,1,0,0|1,1,0]=4 3506 B14R2.256 Cc1ccc(s1)c2ccccc2O 271570a_100000035170_100000761539 [0,0,1,1,0,0|1,1,0]=4 3507 B14R2.256 Cc1ccc(s1)c2ccccc2O 271570a_100011934456_100000739446 [0,0,1,1,0,0|1,1,0]=4 3508 B14R2.768 CC(=Cc1cc2ccccc2[nH]1)C 271570a_100102525489_100010232065 [0,0,1,1,0,0|2,0,0]=4 3509 B14R2.768 CC(=Cc1cc2ccccc2o1)C 271570a_100102525489_100010159458 [0,0,1,1,0,0|2,0,0]=4 3510 B14R2.768 CC(=Cc1cc2ccccc2s1)C 271570a_100102525489_100009816949 [0,0,1,1,0,0|2,0,0]=4 3511 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [0,0,1,1,0,0|1,0,1]=4 3512 B14R2.768 CC(=O)Cc1cc2ccccc2s1 1458a_100012001211_200000210301 [0,0,1,1,0,0|1,0,1]=4 3513 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [0,0,1,1,0,0|1,0,1]=4 3514 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2s1 1458a_100012001211_200025704644 [0,0,1,1,0,0|1,0,1]=4 3515 B14R2.260 Cc1cc(sc1C)c2ccccc2 271570a_100011218836_100009850898 [0,0,1,1,0,0|0,1,1]=4 3516 B14R2.8653 CC(=O)c1ccc(c2c1[nH]cc2)Br 1458a_100010141195_200000210301 [0,0,1,1,0,0|2,0,0]=4 3517 B14R2.8653 CC(=O)c1ccc(c2c1[nH]cc2)Cl 1458a_100009924714_200000210301 [0,0,1,1,0,0|2,0,0]=4 3518 B14R2.8653 CC(=O)c1ccc(c2c1cc[nH]2)Cl 1458a_100009875088_200000210301 [0,0,1,1,0,0|2,0,0]=4 3519 B14R2.8653 [13CH3]C(=O)c1ccc(c2c1[nH]cc2)Br 1458a_100010141195_200025704644 [0,0,1,1,0,0|2,0,0]=4 3520 B14R2.8653 [13CH3]C(=O)c1ccc(c2c1[nH]cc2)Cl 1458a_100009924714_200025704644 [0,0,1,1,0,0|2,0,0]=4 3521 B14R2.8653 [13CH3]C(=O)c1ccc(c2c1cc[nH]2)Cl 1458a_100009875088_200025704644 [0,0,1,1,0,0|2,0,0]=4 3522 B14R2.30 Cc1sccc1Sc2ccccc2 62a_100000684487_100000041952 [0,0,1,1,0,0|1,1,0]=4 3523 B14R2.30 Cc1sccc1Sc2ccccc2 62a_100000719477_100000684487 [0,0,1,1,0,0|1,1,0]=4 3524 B14R2.24350 CC(=O)c1cccc2c1c(c[nH]2)C 1458a_100000070176_200000210301 [0,0,1,1,0,0|1,0,1]=4 3525 B14R2.24350 CC(=O)c1cccc2c1n(cc2)C 1458a_100011935264_200000210301 [0,0,1,1,0,0|1,0,1]=4 3526 B14R2.24350 Cc1c[nH]c2c1c(ccc2)C(=O)[13CH3] 1458a_100000070176_200025704644 [0,0,1,1,0,0|1,0,1]=4 3527 B14R2.24350 Cn1ccc2c1c(ccc2)C(=O)[13CH3] 1458a_100011935264_200025704644 [0,0,1,1,0,0|1,0,1]=4 3528 B14R2.31359 C=C(C)c1cccc2c1cccc2 271570a_100000694244_100000210605 [0,0,1,1,0,0|1,0,0]=3 3529 B14R2.31359 C=C(C)c1cccc2c1cccn2 271570a_100000694244_100011290932 [0,0,1,1,0,0|2,0,0]=4 3530 B14R2.31359 C=C(C)c1cccc2c1ccnc2 271570a_100000694244_100000186358 [0,0,1,1,0,0|2,0,0]=4 3531 B14R2.31359 C=C(C)c1cccc2c1cncc2 271570a_100000694244_100000685578 [0,0,1,1,0,0|2,0,0]=4 3532 B14R2.31359 C=C(C)c1cccc2c1nccc2 271570a_100000694244_100011215545 [0,0,1,1,0,0|2,0,0]=4 3533 B14R2.31359 C=C(C)c1ccnc2c1cccc2 271570a_100000694244_100011215880 [0,0,1,1,0,0|2,0,0]=4 3534 B14R2.31359 C=C(C)c1cncc2c1cccc2 271570a_100000694244_100000187577 [0,0,1,1,0,0|2,0,0]=4 3535 B14R2.31359 C=C(C)c1nccc2c1cccc2 271570a_100000694244_100011934041 [0,0,1,1,0,0|2,0,0]=4 3536 B14R2.31359 CC(=O)c1cccc2c1cccc2 1458a_100000210949_200000210301 [0,0,1,1,0,0|0,0,0]=2 3537 B14R2.31359 CC(=O)c1cccc2c1cccn2 1458a_100000241005_200000210301 [0,0,1,1,0,0|1,0,0]=3 3538 B14R2.31359 CC(=O)c1cccc2c1ccnc2 1458a_100011290933_200000210301 [0,0,1,1,0,0|1,0,0]=3 3539 B14R2.31359 CC(=O)c1cccc2c1cncc2 1458a_100011356482_200000210301 [0,0,1,1,0,0|1,0,0]=3 3540 B14R2.31359 CC(=O)c1cccc2c1nccc2 1458a_100000195423_200000210301 [0,0,1,1,0,0|1,0,0]=3 3541 B14R2.31359 CC(=O)c1cccc2c1nccn2 1458a_100000048969_200000210301 [0,0,1,1,0,0|2,0,0]=4 3542 B14R2.31359 CN(C)c1cccc2c1cccc2 2230a_100000220138_200000210301 [0,0,1,1,0,0|2,0,0]=4 3543 B14R2.31359 CN(C)c1cccc2c1cccc2 269982a_100000220138_200000210301 [0,0,1,1,0,0|2,0,0]=4 3544 B14R2.31359 CN(C)c1cccc2c1cccc2 34a_100000220138_200000210301 [0,0,1,1,0,0|2,0,0]=4 3545 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 2230a_100000220138_200025704644 [0,0,1,1,0,0|2,0,0]=4 3546 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 269982a_100000220138_200025704644 [0,0,1,1,0,0|2,0,0]=4 3547 B14R2.31359 CN([13CH3])c1cccc2c1cccc2 34a_100000220138_200025704644 [0,0,1,1,0,0|2,0,0]=4 3548 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccc2 1458a_100000210949_200025704644 [0,0,1,1,0,0|0,0,0]=2 3549 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccn2 1458a_100000241005_200025704644 [0,0,1,1,0,0|1,0,0]=3 3550 B14R2.31359 [13CH3]C(=O)c1cccc2c1ccnc2 1458a_100011290933_200025704644 [0,0,1,1,0,0|1,0,0]=3 3551 B14R2.31359 [13CH3]C(=O)c1cccc2c1cncc2 1458a_100011356482_200025704644 [0,0,1,1,0,0|1,0,0]=3 3552 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccc2 1458a_100000195423_200025704644 [0,0,1,1,0,0|1,0,0]=3 3553 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccn2 1458a_100000048969_200025704644 [0,0,1,1,0,0|2,0,0]=4 3554 B16R3.63903 c1ccc2cc(ccc2c1)NC3CC3 34a_100000211940_100000211595 [0,0,0,1,0,1|1,0,1]=4 3555 B16R3.63903 c1ccc2cc(ccc2c1)OC3CC3 34a_100000185828_100000211595 [0,0,0,1,0,1|1,0,1]=4 3556 B16R3.20604 Brc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_200010089984 [0,1,0,1,0,0|1,0,1]=4 3557 B16R3.20604 Cc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_100010221197 [0,1,0,1,0,0|1,0,1]=4 3558 B16R3.20604 Fc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_100009832041 [0,1,0,1,0,0|1,0,1]=4 3559 B16R3.20604 Nc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_100009817101 [0,1,0,1,0,0|1,0,1]=4 3560 B16R3.20604 Oc1c(ccc2c1cccc2)C3CC3 271570a_100011220607_100009996032 [0,1,0,1,0,0|1,0,1]=4 3561 B16R3.3492 Brc1cc2ccccc2cc1C3CC3 271570a_100011220607_200010169544 [0,1,0,1,0,0|1,0,1]=4 3562 B16R3.3492 Clc1cc2ccccc2cc1C3CC3 271570a_100011220607_100010152806 [0,1,0,1,0,0|1,0,1]=4 3563 B16R3.3492 Nc1cc2ccccc2cc1C3CC3 271570a_100011220607_100009991566 [0,1,0,1,0,0|1,0,1]=4 3564 B16R3.3492 Oc1cc2ccccc2cc1C3CC3 271570a_100011220607_100009817189 [0,1,0,1,0,0|1,0,1]=4 3565 B16R3.10767 Nc1ccc2ccc(cc2c1)C3CC3 271570a_100011220607_100010090036 [0,1,0,1,0,0|1,0,1]=4 3566 B16R3.10767 Oc1ccc2ccc(cc2c1)C3CC3 271570a_100011220607_100009816537 [0,1,0,1,0,0|1,0,1]=4 3567 B16R3.96480 Brc1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100012344972 [0,1,0,1,0,0|1,0,1]=4 3568 B16R3.96480 Fc1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100009817052 [0,1,0,1,0,0|1,0,1]=4 3569 B16R3.96480 Nc1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100000185457 [0,1,0,1,0,0|1,0,1]=4 3570 B16R3.96480 Oc1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100000185455 [0,1,0,1,0,0|1,0,1]=4 3571 B16R3.28181 Nc1cccc2c1ccc(c2)C3CC3 271570a_100011220607_100010090037 [0,1,0,1,0,0|1,0,1]=4 3572 B16R3.28181 Oc1cccc2c1ccc(c2)C3CC3 271570a_100011220607_100010202202 [0,1,0,1,0,0|1,0,1]=4 3573 B16R3.31922 Nc1cc(cc2c1cccc2)C3CC3 271570a_100011220607_100010171453 [0,1,0,1,0,0|1,0,1]=4 3574 B16R3.31922 Oc1cc(cc2c1cccc2)C3CC3 271570a_100011220607_100010089979 [0,1,0,1,0,0|1,0,1]=4 3575 B16R3.186177 Cc1cccc2c1cc(cc2)C3CC3 271570a_100011220607_100010089936 [0,1,0,1,0,0|1,0,1]=4 3576 B16R3.186177 Nc1cccc2c1cc(cc2)C3CC3 271570a_100011220607_100010090012 [0,1,0,1,0,0|1,0,1]=4 3577 B16R3.186177 Oc1cccc2c1cc(cc2)C3CC3 271570a_100011220607_100010089991 [0,1,0,1,0,0|1,0,1]=4 3578 B12R1.75 C=Cc1ccccc1CC(=O)C 271570a_100011290941_100011350739 [0,0,1,0,1,0|0,0,1]=3 3579 B12R1.75 C=Cc1ccccc1CC(=O)N 271570a_100011290941_200009814924 [0,0,1,0,1,0|1,0,1]=4 3580 B12R1.75 C=Cc1ccccc1NC(=O)C 11a_100012022501_100015343762 [0,0,1,0,1,0|1,0,0]=3 3581 B12R1.75 C=Cc1ccccc1NC(=O)C 1626a_100012022501_100015343762 [0,0,1,0,1,0|1,0,0]=3 3582 B12R1.75 C=Cc1ccccc1NC(=O)C 22a_100012022501_100000070787 [0,0,1,0,1,0|1,0,0]=3 3583 B12R1.75 C=Cc1ccccc1NC(=O)C 271570a_100011290941_100000153524 [0,0,1,0,1,0|1,0,0]=3 3584 B12R1.75 C=Cc1ccccc1NC(=O)N 271570a_100011290941_100000742221 [0,0,1,0,1,0|2,0,0]=4 3585 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,0,1,0,1,0|1,0,0]=3 3586 B12R1.75 C=Cc1cnccc1NC(=O)C 271570a_100011290941_100016132053 [0,0,1,0,1,0|2,0,0]=4 3587 B12R1.75 C=Cc1ncccc1OC(=O)C 271570a_100011290941_200009815371 [0,0,1,0,1,0|2,0,0]=4 3588 B12R1.75 CC(=Cc1ccccc1C=O)C 271570a_100102525489_100000211189 [0,0,1,0,1,0|2,0,0]=4 3589 B12R1.75 CC(=O)Cc1ccccc1C=O 1458a_100000070787_200009853537 [0,0,1,0,1,0|1,0,1]=4 3590 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [1,0,0,0,1,0|1,0,1]=4 3591 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [1,0,0,0,1,0|1,0,1]=4 3592 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [1,0,0,0,1,0|2,0,0]=4 3593 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [1,0,0,0,1,0|2,0,0]=4 3594 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [1,0,0,0,1,0|2,0,0]=4 3595 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [1,0,0,0,1,0|2,0,0]=4 3596 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [1,0,0,0,1,0|2,0,0]=4 3597 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [1,0,0,0,1,0|2,0,0]=4 3598 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [1,0,0,0,1,0|2,0,0]=4 3599 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [1,0,0,0,1,0|2,0,0]=4 3600 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,0,0,0,1,0|1,0,1]=4 3601 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [1,0,0,0,1,0|1,0,1]=4 3602 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [1,0,0,0,1,0|1,0,1]=4 3603 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [1,0,0,0,1,0|2,0,0]=4 3604 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [1,0,0,0,1,0|2,0,0]=4 3605 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [1,0,0,0,1,0|2,0,0]=4 3606 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [1,0,0,0,1,0|2,0,0]=4 3607 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [1,0,0,0,1,0|2,0,0]=4 3608 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [1,0,0,0,1,0|2,0,0]=4 3609 B12R2.44 C=Cc1ccc2[nH]ccc2c1 271570a_100011290941_100000211741 [1,0,0,0,1,0|1,0,1]=4 3610 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [1,0,0,0,1,0|0,0,2]=4 3611 B12R2.44 C=Cc1ccc2c(c1)CC=C2 271570a_100011290941_200009818231 [1,0,0,0,1,0|0,0,2]=4 3612 B12R2.44 C=Cc1ccc2cc[nH]c2c1 271570a_100011290941_100000743809 [1,0,0,0,1,0|1,0,1]=4 3613 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [1,0,0,0,1,0|1,0,1]=4 3614 B12R2.44 C=Cc1ccc2ccsc2c1 271570a_100011290941_100009888917 [1,0,0,0,1,0|1,0,1]=4 3615 B12R2.44 C=Cc1ccc2cscc2c1 271570a_100011290941_200010760811 [1,0,0,0,1,0|1,0,1]=4 3616 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [1,0,0,0,1,0|1,0,1]=4 3617 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [1,0,0,0,1,0|1,0,1]=4 3618 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [1,0,0,0,1,0|2,0,0]=4 3619 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [1,0,0,0,1,0|2,0,0]=4 3620 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [1,0,0,0,1,0|2,0,0]=4 3621 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [1,0,0,0,1,0|2,0,0]=4 3622 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [1,0,0,0,1,0|2,0,0]=4 3623 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,0,0,0,1,0|2,0,0]=4 3624 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,0,0,0,1,0|2,0,0]=4 3625 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [1,0,0,0,1,0|2,0,0]=4 3626 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [1,0,0,0,1,0|2,0,0]=4 3627 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [1,0,0,0,1,0|2,0,0]=4 3628 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [1,0,0,0,1,0|2,0,0]=4 3629 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [1,0,0,0,1,0|2,0,0]=4 3630 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [1,0,0,0,1,0|1,0,1]=4 3631 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [1,0,0,0,1,0|1,0,1]=4 3632 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [1,0,0,0,1,0|1,0,1]=4 3633 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [1,0,0,0,1,0|1,0,1]=4 3634 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [1,0,0,0,1,0|2,0,0]=4 3635 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [1,0,0,0,1,0|2,0,0]=4 3636 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [1,0,0,0,1,0|2,0,0]=4 3637 B12R2.44 CSc1ccc2cscc2c1 62a_200000210301_200010760811 [1,0,0,0,1,0|2,0,0]=4 3638 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [1,0,0,0,1,0|2,0,0]=4 3639 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [1,0,0,0,1,0|2,0,0]=4 3640 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [1,0,0,0,1,0|2,0,0]=4 3641 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [1,0,0,0,1,0|2,0,0]=4 3642 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [1,0,0,0,1,0|2,0,0]=4 3643 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [1,0,0,0,1,0|2,0,0]=4 3644 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [1,0,0,0,1,0|2,0,0]=4 3645 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,0,0,0,1,0|2,0,0]=4 3646 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,0,0,0,1,0|2,0,0]=4 3647 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [1,0,0,0,1,0|2,0,0]=4 3648 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [1,0,0,0,1,0|2,0,0]=4 3649 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [1,0,0,0,1,0|2,0,0]=4 3650 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [1,0,0,0,1,0|2,0,0]=4 3651 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [1,0,0,0,1,0|2,0,0]=4 3652 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [1,0,0,0,1,0|1,0,1]=4 3653 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [1,0,0,0,1,0|1,0,1]=4 3654 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [1,0,0,0,1,0|1,0,1]=4 3655 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [1,0,0,0,1,0|1,0,1]=4 3656 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [1,0,0,0,1,0|2,0,0]=4 3657 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [1,0,0,0,1,0|2,0,0]=4 3658 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [1,0,0,0,1,0|2,0,0]=4 3659 B12R2.44 [13CH3]Sc1ccc2cscc2c1 62a_200025704644_200010760811 [1,0,0,0,1,0|2,0,0]=4 3660 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [1,0,0,0,1,0|2,0,0]=4 3661 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [1,0,0,0,1,0|2,0,0]=4 3662 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,0,2,0|0,0,2]=4 3663 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,0,2,0|0,0,2]=4 3664 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,0,2,0|0,0,2]=4 3665 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,0,2,0|0,0,2]=4 3666 B14R1.68 C=CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100015514636 [0,0,1,0,0,1|1,0,1]=4 3667 B14R1.68 C=CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100015514636 [0,0,1,0,0,1|1,0,1]=4 3668 B14R1.68 C=CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100015514636 [0,0,1,0,0,1|1,0,1]=4 3669 B14R1.68 C=CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100015514636 [0,0,1,0,0,1|1,0,1]=4 3670 B14R1.68 C=CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100015514636 [0,0,1,0,0,1|1,0,1]=4 3671 B14R1.68 C=CCSc1ccc(cc1)CC(=O)C 62a_100000210623_100000691760 [0,0,1,0,0,1|1,0,1]=4 3672 B14R1.68 C=CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210623 [0,0,1,0,0,1|1,0,1]=4 3673 B14R1.68 C=CCSc1ccc(cc1)NC(=O)C 62a_100000210623_100000155215 [0,0,1,0,0,1|1,0,1]=4 3674 B14R1.68 C=CCSc1ccc(cc1)OC(=O)C 62a_100000210623_100000002173 [0,0,1,0,0,1|1,0,1]=4 3675 B14R1.68 C=CCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210623 [0,0,1,0,0,1|1,0,1]=4 3676 B14R1.140 C=C=Cc1ccc(cc1C)NC(=O)C 271570a_100015277604_100000155607 [0,0,1,0,0,1|0,0,2]=4 3677 B14R1.140 C=C=Cc1ccc(cc1F)NC(=O)C 271570a_100015277604_100011219590 [0,0,1,0,0,1|1,0,1]=4 3678 B14R1.140 CC=Cc1ccc(cc1C)NC(=O)C 271570a_100016259895_100000155607 [0,0,1,0,0,1|0,0,2]=4 3679 B14R1.140 CC=Cc1ccc(cc1F)NC(=O)C 271570a_100016259895_100011219590 [0,0,1,0,0,1|1,0,1]=4 3680 B14R1.159 CC(=O)OCC=Cc1ccccc1Br 271570a_200000047263_100000695589 [0,0,1,0,0,1|1,0,1]=4 3681 B14R1.159 CC(=O)OCC=Cc1ccccc1C 271570a_200000047263_100000210755 [0,0,1,0,0,1|0,0,2]=4 3682 B14R1.159 CC(=O)OCC=Cc1ccccc1Cl 271570a_200000047263_100000764095 [0,0,1,0,0,1|1,0,1]=4 3683 B14R1.159 CC(=O)OCC=Cc1ccccc1F 271570a_200000047263_100011215700 [0,0,1,0,0,1|1,0,1]=4 3684 B14R1.159 CC(=O)OCC=Cc1ccccc1N 271570a_200000047263_100000210017 [0,0,1,0,0,1|1,0,1]=4 3685 B14R1.159 CC(=O)OCC=Cc1ccccc1O 271570a_200000047263_100000739446 [0,0,1,0,0,1|1,0,1]=4 3686 B14R1.818 C=C(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748629 [0,0,1,0,0,1|2,0,0]=4 3687 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [0,0,1,0,0,1|2,0,0]=4 3688 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [0,0,1,0,0,1|2,0,0]=4 3689 B14R1.6449 C=C(C)C(=O)C/C=C/c1ccccc1 1458a_100000185857_100016265936 [0,0,1,0,0,1|2,0,0]=4 3690 B14R1.439 C=C=Cc1cc(ccc1C)NC(=O)C 271570a_100015277604_100011221169 [0,0,1,0,0,1|0,0,2]=4 3691 B14R1.439 C=C=Cc1cc(ccc1C)OC(=O)C 271570a_100015277604_200025702335 [0,0,1,0,0,1|0,0,2]=4 3692 B14R1.439 C=C=Cc1cc(ccc1F)NC(=O)C 271570a_100015277604_100012348134 [0,0,1,0,0,1|1,0,1]=4 3693 B14R1.439 C=C=Cc1cc(ccc1O)CC(=O)C 271570a_100015277604_100010141077 [0,0,1,0,0,1|1,0,1]=4 3694 B14R1.439 CC=Cc1cc(ccc1C)NC(=O)C 271570a_100016259895_100011221169 [0,0,1,0,0,1|0,0,2]=4 3695 B14R1.439 CC=Cc1cc(ccc1C)OC(=O)C 271570a_100016259895_200025702335 [0,0,1,0,0,1|0,0,2]=4 3696 B14R1.439 CC=Cc1cc(ccc1F)NC(=O)C 271570a_100016259895_100012348134 [0,0,1,0,0,1|1,0,1]=4 3697 B14R1.439 CC=Cc1cc(ccc1O)CC(=O)C 271570a_100016259895_100010141077 [0,0,1,0,0,1|1,0,1]=4 3698 B14R1.778 C=CCNc1cccc(c1)NC(=O)C 34a_100000749408_100015514636 [0,0,1,0,0,1|1,0,1]=4 3699 B14R1.778 C=CCOc1cccc(c1)NC(=O)C 34a_100000158604_100015514636 [0,0,1,0,0,1|1,0,1]=4 3700 B14R1.778 C=CCOc1cccc(c1)NC(=O)C 7a_100000158604_100015514636 [0,0,1,0,0,1|1,0,1]=4 3701 B14R1.778 C=CCOc1cccc(c1)OC(=O)C 7a_100011218754_100015514636 [0,0,1,0,0,1|1,0,1]=4 3702 B14R1.778 C=CCSc1cccc(c1)CC(=O)C 62a_100000210623_100000689217 [0,0,1,0,0,1|1,0,1]=4 3703 B14R1.778 C=CCSc1cccc(c1)CC(=O)C 62a_100000689217_100000210623 [0,0,1,0,0,1|1,0,1]=4 3704 B14R1.778 C=CCSc1cccc(c1)NC(=O)C 62a_100000210623_100000153616 [0,0,1,0,0,1|1,0,1]=4 3705 B14R1.778 C=CCSc1cccc(c1)OC(=O)C 62a_100000210623_100009811612 [0,0,1,0,0,1|1,0,1]=4 3706 B14R1.3651 C=Cc1cc(ccc1OC)CC(=O)C 271570a_100011290941_100011493462 [0,0,1,0,0,1|1,0,1]=4 3707 B14R1.3651 C=Cc1ccc(cc1C=O)OC(=O)C 271570a_100011290941_100009816906 [0,0,1,0,0,1|1,0,0]=3 3708 B14R2.1008 CC(=Cc1ccc2[nH]ccc2c1)C 271570a_100102525489_100000211741 [0,0,0,0,1,1|2,0,0]=4 3709 B14R2.1008 CC(=Cc1ccc2c(c1)C=CC2)C 271570a_100102525489_100009814306 [0,0,0,0,1,1|1,0,1]=4 3710 B14R2.1008 CC(=Cc1ccc2c(c1)CC=C2)C 271570a_100102525489_200009818231 [0,0,0,0,1,1|1,0,1]=4 3711 B14R2.1008 CC(=Cc1ccc2cc[nH]c2c1)C 271570a_100102525489_100000743809 [0,0,0,0,1,1|2,0,0]=4 3712 B14R2.1008 CC(=Cc1ccc2ccoc2c1)C 271570a_100102525489_100000759542 [0,0,0,0,1,1|2,0,0]=4 3713 B14R2.1008 CC(=Cc1ccc2ccsc2c1)C 271570a_100102525489_100009888917 [0,0,0,0,1,1|2,0,0]=4 3714 B14R2.1008 CC(=Cc1ccc2cscc2c1)C 271570a_100102525489_200010760811 [0,0,0,0,1,1|2,0,0]=4 3715 B14R2.1008 CC(=Cc1ccc2occc2c1)C 271570a_100102525489_100012343831 [0,0,0,0,1,1|2,0,0]=4 3716 B14R2.1008 CC(=Cc1ccc2sccc2c1)C 271570a_100102525489_100009814439 [0,0,0,0,1,1|2,0,0]=4 3717 B14R2.1008 CC(=O)Cc1ccc2cc[nH]c2c1 1458a_100000094508_200000210301 [0,0,0,0,1,1|1,0,0]=3 3718 B14R2.1008 CC(=O)Cc1ccc2cn[nH]c2c1 1458a_100000070787_100020605281 [0,0,0,0,1,1|2,0,0]=4 3719 B14R2.1008 CC(=O)Cc1ccc2nc[nH]c2c1 1458a_100000055147_200000210301 [0,0,0,0,1,1|2,0,0]=4 3720 B14R2.1008 CC(=O)Cc1ccc2ncoc2c1 1458a_100000070787_106359897996 [0,0,0,0,1,1|2,0,0]=4 3721 B14R2.1008 CC(=O)Cc1ccc2ncsc2c1 1458a_100000070787_100009847474 [0,0,0,0,1,1|2,0,0]=4 3722 B14R2.1008 CC(=O)Cc1ccc2occc2c1 1458a_100000096804_200000210301 [0,0,0,0,1,1|1,0,0]=3 3723 B14R2.1008 CC(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200000210301 [0,0,0,0,1,1|2,0,0]=4 3724 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 11a_100011201678_100015343762 [0,0,0,0,1,1|1,0,0]=3 3725 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 1626a_100011201678_100015343762 [0,0,0,0,1,1|1,0,0]=3 3726 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 22a_100011201678_100000070787 [0,0,0,0,1,1|1,0,0]=3 3727 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2c1 527a_100011201678_100103153847 [0,0,0,0,1,1|1,0,0]=3 3728 B14R2.1008 CC(=O)Nc1ccc2[nH]cnc2c1 1626a_100000185997_100015343762 [0,0,0,0,1,1|2,0,0]=4 3729 B14R2.1008 CC(=O)Nc1ccc2[nH]cnc2c1 22a_100000185997_100000070787 [0,0,0,0,1,1|2,0,0]=4 3730 B14R2.1008 CC(=O)Nc1ccc2[nH]cnc2c1 527a_100000185997_100103153847 [0,0,0,0,1,1|2,0,0]=4 3731 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 1626a_100000187683_100015343762 [0,0,0,0,1,1|2,0,0]=4 3732 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 22a_100000187683_100000070787 [0,0,0,0,1,1|2,0,0]=4 3733 B14R2.1008 CC(=O)Nc1ccc2[nH]ncc2c1 527a_100000187683_100103153847 [0,0,0,0,1,1|2,0,0]=4 3734 B14R2.1008 CC(=O)Nc1ccc2c[nH]nc2c1 22a_100000212142_100000070787 [0,0,0,0,1,1|2,0,0]=4 3735 B14R2.1008 CC(=O)Nc1ccc2c[nH]nc2c1 527a_100000212142_100103153847 [0,0,0,0,1,1|2,0,0]=4 3736 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2c1 11a_100000743810_100015343762 [0,0,0,0,1,1|1,0,0]=3 3737 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2c1 1626a_100000743810_100015343762 [0,0,0,0,1,1|1,0,0]=3 3738 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2c1 22a_100000743810_100000070787 [0,0,0,0,1,1|1,0,0]=3 3739 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2c1 527a_100000743810_100103153847 [0,0,0,0,1,1|1,0,0]=3 3740 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 11a_100000102395_100015343762 [0,0,0,0,1,1|1,0,0]=3 3741 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 1626a_100000102395_100015343762 [0,0,0,0,1,1|1,0,0]=3 3742 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 22a_100000102395_100000070787 [0,0,0,0,1,1|1,0,0]=3 3743 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 527a_100000102395_100103153847 [0,0,0,0,1,1|1,0,0]=3 3744 B14R2.1008 CC(=O)Nc1ccc2cnoc2c1 11a_100000084182_100015343762 [0,0,0,0,1,1|2,0,0]=4 3745 B14R2.1008 CC(=O)Nc1ccc2cnoc2c1 1626a_100000084182_100015343762 [0,0,0,0,1,1|2,0,0]=4 3746 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 11a_100011248239_100015343762 [0,0,0,0,1,1|2,0,0]=4 3747 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 1626a_100011248239_100015343762 [0,0,0,0,1,1|2,0,0]=4 3748 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 527a_100011248239_100103153847 [0,0,0,0,1,1|2,0,0]=4 3749 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 11a_100011215093_100015343762 [0,0,0,0,1,1|2,0,0]=4 3750 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 1626a_100011215093_100015343762 [0,0,0,0,1,1|2,0,0]=4 3751 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 22a_100011215093_100000070787 [0,0,0,0,1,1|2,0,0]=4 3752 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 527a_100011215093_100103153847 [0,0,0,0,1,1|2,0,0]=4 3753 B14R2.1008 CC(=O)Nc1ccc2occc2c1 11a_106430523501_100015343762 [0,0,0,0,1,1|1,0,0]=3 3754 B14R2.1008 CC(=O)Nc1ccc2occc2c1 1626a_106430523501_100015343762 [0,0,0,0,1,1|1,0,0]=3 3755 B14R2.1008 CC(=O)Nc1ccc2occc2c1 22a_106430523501_100000070787 [0,0,0,0,1,1|1,0,0]=3 3756 B14R2.1008 CC(=O)Nc1ccc2occc2c1 527a_106430523501_100103153847 [0,0,0,0,1,1|1,0,0]=3 3757 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 11a_100011219863_100015343762 [0,0,0,0,1,1|2,0,0]=4 3758 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 1626a_100011219863_100015343762 [0,0,0,0,1,1|2,0,0]=4 3759 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 527a_100011219863_100103153847 [0,0,0,0,1,1|2,0,0]=4 3760 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 11a_100000037595_100015343762 [0,0,0,0,1,1|2,0,0]=4 3761 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 1626a_100000037595_100015343762 [0,0,0,0,1,1|2,0,0]=4 3762 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 11a_100000681076_100015343762 [0,0,0,0,1,1|1,0,0]=3 3763 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 1626a_100000681076_100015343762 [0,0,0,0,1,1|1,0,0]=3 3764 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 22a_100000681076_100000070787 [0,0,0,0,1,1|1,0,0]=3 3765 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 527a_100000681076_100103153847 [0,0,0,0,1,1|1,0,0]=3 3766 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 11a_100000047738_100015343762 [0,0,0,0,1,1|2,0,0]=4 3767 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 1626a_100000047738_100015343762 [0,0,0,0,1,1|2,0,0]=4 3768 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 22a_100000047738_100000070787 [0,0,0,0,1,1|2,0,0]=4 3769 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 527a_100000047738_100103153847 [0,0,0,0,1,1|2,0,0]=4 3770 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 11a_100000077742_100015343762 [0,0,0,0,1,1|2,0,0]=4 3771 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 1626a_100000077742_100015343762 [0,0,0,0,1,1|2,0,0]=4 3772 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 22a_100000077742_100000070787 [0,0,0,0,1,1|2,0,0]=4 3773 B14R2.1008 CC(=O)Nc1ccc2sncc2c1 527a_100000077742_100103153847 [0,0,0,0,1,1|2,0,0]=4 3774 B14R2.1008 [13CH3]C(=O)Cc1ccc2cc[nH]c2c1 1458a_100000094508_200025704644 [0,0,0,0,1,1|1,0,0]=3 3775 B14R2.1008 [13CH3]C(=O)Cc1ccc2nc[nH]c2c1 1458a_100000055147_200025704644 [0,0,0,0,1,1|2,0,0]=4 3776 B14R2.1008 [13CH3]C(=O)Cc1ccc2occc2c1 1458a_100000096804_200025704644 [0,0,0,0,1,1|1,0,0]=3 3777 B14R2.1008 [13CH3]C(=O)Cc1ccc2ocnc2c1 1458a_100000081516_200025704644 [0,0,0,0,1,1|2,0,0]=4 3778 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748629 [0,0,0,0,0,2|1,0,0]=3 3779 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748629 [0,0,0,0,0,2|1,0,0]=3 3780 B16R2.477 C=C(C)CNc1ccc2ccccc2n1 27a_100000765925_100011291633 [0,0,0,0,0,2|2,0,0]=4 3781 B16R2.477 C=C(C)CNc1ccc2cccnc2c1 34a_100102887122_100000748629 [0,0,0,0,0,2|2,0,0]=4 3782 B16R2.477 C=C(C)CNc1ccc2cnccc2c1 34a_100000039641_100000748629 [0,0,0,0,0,2|2,0,0]=4 3783 B16R2.477 C=C(C)CNc1ccc2ncccc2c1 34a_100011198106_100000748629 [0,0,0,0,0,2|2,0,0]=4 3784 B16R2.477 C=C(C)COc1ccc2ccccc2c1 34a_100000185828_100000748629 [0,0,0,0,0,2|1,0,0]=3 3785 B16R2.477 C=C(C)COc1ccc2ccccc2c1 7a_100000185828_100000748629 [0,0,0,0,0,2|1,0,0]=3 3786 B16R2.477 C=C(C)COc1ccc2cccnc2c1 34a_100011216045_100000748629 [0,0,0,0,0,2|2,0,0]=4 3787 B16R2.477 C=C(C)COc1ccc2ccncc2c1 7a_100000752006_100000748629 [0,0,0,0,0,2|2,0,0]=4 3788 B16R2.477 C=C(C)COc1ccc2cnccc2c1 34a_100000046372_100000748629 [0,0,0,0,0,2|2,0,0]=4 3789 B16R2.477 C=C(C)COc1ccc2cnccc2c1 7a_100000046372_100000748629 [0,0,0,0,0,2|2,0,0]=4 3790 B16R2.477 C=C(C)COc1ccc2ncccc2c1 34a_100011215586_100000748629 [0,0,0,0,0,2|2,0,0]=4 3791 B16R2.477 C=C(C)COc1ccc2ncccc2c1 7a_100011215586_100000748629 [0,0,0,0,0,2|2,0,0]=4 3792 B16R2.477 C=C(C)COc1cnc2ccccc2c1 34a_100011934006_100000748629 [0,0,0,0,0,2|2,0,0]=4 3793 B16R2.477 C=C(C)COc1cnc2ccccc2c1 7a_100011934006_100000748629 [0,0,0,0,0,2|2,0,0]=4 3794 B16R2.477 C=C(C)CSc1cc2ccccc2cn1 62a_100000748629_100000047361 [0,0,0,0,0,2|2,0,0]=4 3795 B16R2.477 C=C(C)CSc1cc2ccccc2cn1 62a_100009816522_100000211660 [0,0,0,0,0,2|2,0,0]=4 3796 B16R2.477 C=C(C)CSc1ccc2ccccc2c1 62a_100000748629_100000233703 [0,0,0,0,0,2|1,0,0]=3 3797 B16R2.477 C=C(C)CSc1ccc2ccccc2n1 62a_100000748629_100011291633 [0,0,0,0,0,2|2,0,0]=4 3798 B16R2.477 C=C(C)CSc1ccc2ccccc2n1 62a_100011291633_100000211660 [0,0,0,0,0,2|2,0,0]=4 3799 B16R2.477 C=C(C)CSc1ccc2cccnc2c1 62a_100000748629_100009816655 [0,0,0,0,0,2|2,0,0]=4 3800 B16R2.477 C=C(C)CSc1ccc2ccncc2c1 62a_100000686496_100000211660 [0,0,0,0,0,2|2,0,0]=4 3801 B16R2.477 C=C(C)CSc1ccc2ccncc2c1 62a_100000748629_100000686496 [0,0,0,0,0,2|2,0,0]=4 3802 B16R2.477 C=C(C)CSc1ccc2cnccc2c1 62a_100000748629_100009816743 [0,0,0,0,0,2|2,0,0]=4 3803 B16R2.477 C=C(C)CSc1ccc2cnccc2c1 62a_100009816743_100000211660 [0,0,0,0,0,2|2,0,0]=4 3804 B16R2.477 C=C(C)CSc1ccc2ncccc2c1 62a_100000748629_100011215947 [0,0,0,0,0,2|2,0,0]=4 3805 B16R2.477 C=C(C)CSc1ccc2ncccc2c1 62a_100011215947_100000211660 [0,0,0,0,0,2|2,0,0]=4 3806 B16R2.477 C=C(C)CSc1cnc2ccccc2c1 62a_100000748629_100000737414 [0,0,0,0,0,2|2,0,0]=4 3807 B16R2.477 C=C(F)CNc1ccc2ccccc2c1 34a_100000211940_100009893438 [0,0,0,0,0,2|1,0,1]=4 3808 B16R2.477 C=C(F)CNc1ccc2ccccc2c1 7a_100000211940_100000042424 [0,0,0,0,0,2|1,0,1]=4 3809 B16R2.477 C=C(F)COc1ccc2ccccc2c1 34a_100000185828_100009893438 [0,0,0,0,0,2|1,0,1]=4 3810 B16R2.477 C=C(F)COc1ccc2ccccc2c1 7a_100000185828_100000042424 [0,0,0,0,0,2|1,0,1]=4 3811 B16R2.477 C=C(F)CSc1ccc2ccccc2c1 62a_100000042424_100000233703 [0,0,0,0,0,2|1,0,1]=4 3812 B16R2.477 CC(=O)C=Cc1ccc2ccccc2n1 1458a_100000184337_200000210301 [0,0,0,0,0,2|1,0,0]=3 3813 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200000210301 [0,0,0,0,0,2|0,0,0]=2 3814 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [0,0,0,0,0,2|0,0,0]=2 3815 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200000210301 [0,0,0,0,0,2|0,0,0]=2 3816 B16R2.477 CC(=O)CSc1cnc2ccccc2n1 1458a_100000185120_200000210301 [0,0,0,0,0,2|2,0,0]=4 3817 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100015343762 [0,0,0,0,0,2|0,0,0]=2 3818 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100015343762 [0,0,0,0,0,2|0,0,0]=2 3819 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100015343762 [0,0,0,0,0,2|0,0,0]=2 3820 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100103153847 [0,0,0,0,0,2|0,0,0]=2 3821 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 11a_100015185970_100015343762 [0,0,0,0,0,2|1,0,0]=3 3822 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 1626a_100015185970_100015343762 [0,0,0,0,0,2|1,0,0]=3 3823 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 240690a_100015185970_100015343762 [0,0,0,0,0,2|1,0,0]=3 3824 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 527a_100015185970_100103153847 [0,0,0,0,0,2|1,0,0]=3 3825 B16R2.477 CC(=O)NCc1ccc2ncccc2c1 11a_100000238500_100015343762 [0,0,0,0,0,2|1,0,0]=3 3826 B16R2.477 CC(=O)NCc1ccc2ncccc2c1 1626a_100000238500_100015343762 [0,0,0,0,0,2|1,0,0]=3 3827 B16R2.477 CC(=O)NCc1ccc2ncccc2c1 240690a_100000238500_100015343762 [0,0,0,0,0,2|1,0,0]=3 3828 B16R2.477 CC(=O)NCc1ccc2ncccc2c1 527a_100000238500_100103153847 [0,0,0,0,0,2|1,0,0]=3 3829 B16R2.477 CC(=O)NCc1ccc2nccnc2c1 11a_106354213004_100015343762 [0,0,0,0,0,2|2,0,0]=4 3830 B16R2.477 CC(=O)NCc1ccc2nccnc2c1 240690a_106354213004_100015343762 [0,0,0,0,0,2|2,0,0]=4 3831 B16R2.477 CC(=O)NCc1ccc2nccnc2c1 527a_106354213004_100103153847 [0,0,0,0,0,2|2,0,0]=4 3832 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 11a_100000742225_100015343762 [0,0,0,0,0,2|1,0,0]=3 3833 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 240690a_100000742225_100015343762 [0,0,0,0,0,2|1,0,0]=3 3834 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 527a_100000742225_100103153847 [0,0,0,0,0,2|1,0,0]=3 3835 B16R2.477 CC(=O)NNc1ccc2ccccc2c1 22a_100016987534_100000070787 [0,0,0,0,0,2|0,0,0]=2 3836 B16R2.477 CC(=O)NNc1ccc2ccccc2n1 22a_100000212036_100000070787 [0,0,0,0,0,2|1,0,0]=3 3837 B16R2.477 CC(=O)NNc1ccc2cccnc2c1 22a_200016991157_100000070787 [0,0,0,0,0,2|1,0,0]=3 3838 B16R2.477 CC(=O)NNc1ccc2ncccc2c1 22a_100025741853_100000070787 [0,0,0,0,0,2|1,0,0]=3 3839 B16R2.477 CC(=O)NNc1cnc2ccccc2n1 22a_100000199685_100000070787 [0,0,0,0,0,2|2,0,0]=4 3840 B16R2.477 CC(C)C=Cc1ccc2ccccc2c1 271570a_100016257149_100000233703 [0,0,0,0,0,2|1,0,1]=4 3841 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [0,0,0,0,0,2|1,0,1]=4 3842 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [0,0,0,0,0,2|1,0,1]=4 3843 B16R2.477 CC(C)COc1ccc2ccccc2c1 34a_100000185828_100000210624 [0,0,0,0,0,2|1,0,1]=4 3844 B16R2.477 CC(C)COc1ccc2ccccc2c1 7a_100000185828_100000210760 [0,0,0,0,0,2|1,0,1]=4 3845 B16R2.477 CC(C)CSc1ccc2ccccc2c1 62a_100000210624_100000233703 [0,0,0,0,0,2|1,0,1]=4 3846 B16R2.477 CC(C)NCc1ccc2ccccc2c1 207a_100138425928_100000211584 [0,0,0,0,0,2|1,0,1]=4 3847 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000210206 [0,0,0,0,0,2|1,0,1]=4 3848 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100138425928_100011216711 [0,0,0,0,0,2|1,0,1]=4 3849 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000210206 [0,0,0,0,0,2|1,0,1]=4 3850 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100138425928_100011216711 [0,0,0,0,0,2|1,0,1]=4 3851 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100000212225_100011216711 [0,0,0,0,0,2|1,0,1]=4 3852 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000210206 [0,0,0,0,0,2|1,0,1]=4 3853 B16R2.477 CC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210206 [0,0,0,0,0,2|1,0,1]=4 3854 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100000210206_100011216711 [0,0,0,0,0,2|1,0,1]=4 3855 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000210206 [0,0,0,0,0,2|1,0,1]=4 3856 B16R2.477 CC(O)C=Cc1ccc2ccccc2c1 271570a_200011019289_100000233703 [0,0,0,0,0,2|0,0,2]=4 3857 B16R2.477 CC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218427 [0,0,0,0,0,2|0,0,2]=4 3858 B16R2.477 CC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218427 [0,0,0,0,0,2|0,0,2]=4 3859 B16R2.477 CC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218427 [0,0,0,0,0,2|0,0,2]=4 3860 B16R2.477 CC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218427 [0,0,0,0,0,2|0,0,2]=4 3861 B16R2.477 CC(O)CSc1ccc2ccccc2c1 62a_100011218427_100000233703 [0,0,0,0,0,2|0,0,2]=4 3862 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 34a_100000211940_100009817552 [0,0,0,0,0,2|0,0,2]=4 3863 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100009817552 [0,0,0,0,0,2|0,0,2]=4 3864 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009817552 [0,0,0,0,0,2|0,0,2]=4 3865 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009817552 [0,0,0,0,0,2|0,0,2]=4 3866 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2c1 62a_100009817552_100000233703 [0,0,0,0,0,2|0,0,2]=4 3867 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000187820 [0,0,0,0,0,2|1,0,0]=3 3868 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000187820 [0,0,0,0,0,2|1,0,0]=3 3869 B16R2.477 NC(=O)CNc1ccc2cccnc2c1 34a_100102887122_100000187820 [0,0,0,0,0,2|2,0,0]=4 3870 B16R2.477 NC(=O)CNc1ccc2cnccc2c1 34a_100000039641_100000187820 [0,0,0,0,0,2|2,0,0]=4 3871 B16R2.477 NC(=O)CNc1ccc2ncccc2c1 34a_100011198106_100000187820 [0,0,0,0,0,2|2,0,0]=4 3872 B16R2.477 NC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000187820 [0,0,0,0,0,2|1,0,0]=3 3873 B16R2.477 NC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000187820 [0,0,0,0,0,2|1,0,0]=3 3874 B16R2.477 NC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000187820 [0,0,0,0,0,2|2,0,0]=4 3875 B16R2.477 NC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000187820 [0,0,0,0,0,2|2,0,0]=4 3876 B16R2.477 NC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000187820 [0,0,0,0,0,2|2,0,0]=4 3877 B16R2.477 NC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000187820 [0,0,0,0,0,2|2,0,0]=4 3878 B16R2.477 NC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000187820 [0,0,0,0,0,2|2,0,0]=4 3879 B16R2.477 NC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000187820 [0,0,0,0,0,2|2,0,0]=4 3880 B16R2.477 NC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000187820 [0,0,0,0,0,2|2,0,0]=4 3881 B16R2.477 NC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000187820 [0,0,0,0,0,2|2,0,0]=4 3882 B16R2.477 NC(=O)CSc1cc2ccccc2cn1 62a_100000747473_100000047361 [0,0,0,0,0,2|2,0,0]=4 3883 B16R2.477 NC(=O)CSc1cc2ccccc2cn1 62a_100009816522_100000747473 [0,0,0,0,0,2|2,0,0]=4 3884 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 62a_100000747473_100000233703 [0,0,0,0,0,2|1,0,0]=3 3885 B16R2.477 NC(=O)CSc1ccc2ccccc2n1 62a_100000747473_100011291633 [0,0,0,0,0,2|2,0,0]=4 3886 B16R2.477 NC(=O)CSc1ccc2ccccc2n1 62a_100011291633_100000747473 [0,0,0,0,0,2|2,0,0]=4 3887 B16R2.477 NC(=O)CSc1ccc2cccnc2c1 62a_100000747473_100009816655 [0,0,0,0,0,2|2,0,0]=4 3888 B16R2.477 NC(=O)CSc1ccc2ccncc2c1 62a_100000686496_100000747473 [0,0,0,0,0,2|2,0,0]=4 3889 B16R2.477 NC(=O)CSc1ccc2ccncc2c1 62a_100000747473_100000686496 [0,0,0,0,0,2|2,0,0]=4 3890 B16R2.477 NC(=O)CSc1ccc2cnccc2c1 62a_100000747473_100009816743 [0,0,0,0,0,2|2,0,0]=4 3891 B16R2.477 NC(=O)CSc1ccc2cnccc2c1 62a_100009816743_100000747473 [0,0,0,0,0,2|2,0,0]=4 3892 B16R2.477 NC(=O)CSc1ccc2ncccc2c1 62a_100000747473_100011215947 [0,0,0,0,0,2|2,0,0]=4 3893 B16R2.477 NC(=O)CSc1ccc2ncccc2c1 62a_100011215947_100000747473 [0,0,0,0,0,2|2,0,0]=4 3894 B16R2.477 NC(=O)CSc1cnc2ccccc2c1 62a_100000747473_100000737414 [0,0,0,0,0,2|2,0,0]=4 3895 B16R2.477 O=C([O-])CNc1ccc2ccccc2c1 34a_100000211940_100020667443 [0,0,0,0,0,2|1,0,0]=3 3896 B16R2.477 O=C([O-])CNc1ccc2cccnc2c1 34a_100102887122_100020667443 [0,0,0,0,0,2|2,0,0]=4 3897 B16R2.477 O=C([O-])CNc1ccc2cnccc2c1 34a_100000039641_100020667443 [0,0,0,0,0,2|2,0,0]=4 3898 B16R2.477 O=C([O-])CNc1ccc2ncccc2c1 34a_100011198106_100020667443 [0,0,0,0,0,2|2,0,0]=4 3899 B16R2.477 O=C([O-])COc1ccc2ccccc2c1 34a_100000185828_100020667443 [0,0,0,0,0,2|1,0,0]=3 3900 B16R2.477 O=C([O-])COc1ccc2cccnc2c1 34a_100011216045_100020667443 [0,0,0,0,0,2|2,0,0]=4 3901 B16R2.477 O=C([O-])COc1ccc2cnccc2c1 34a_100000046372_100020667443 [0,0,0,0,0,2|2,0,0]=4 3902 B16R2.477 O=C([O-])COc1ccc2ncccc2c1 34a_100011215586_100020667443 [0,0,0,0,0,2|2,0,0]=4 3903 B16R2.477 O=C([O-])COc1cnc2ccccc2c1 34a_100011934006_100020667443 [0,0,0,0,0,2|2,0,0]=4 3904 B16R2.477 O=C([O-])CSc1cc2ccccc2cn1 62a_100009816522_100020667443 [0,0,0,0,0,2|2,0,0]=4 3905 B16R2.477 O=C([O-])CSc1cc2ccccc2cn1 62a_100020667443_100000047361 [0,0,0,0,0,2|2,0,0]=4 3906 B16R2.477 O=C([O-])CSc1ccc2ccccc2c1 62a_100020667443_100000233703 [0,0,0,0,0,2|1,0,0]=3 3907 B16R2.477 O=C([O-])CSc1ccc2ccccc2n1 62a_100011291633_100020667443 [0,0,0,0,0,2|2,0,0]=4 3908 B16R2.477 O=C([O-])CSc1ccc2ccccc2n1 62a_100020667443_100011291633 [0,0,0,0,0,2|2,0,0]=4 3909 B16R2.477 O=C([O-])CSc1ccc2cccnc2c1 62a_100020667443_100009816655 [0,0,0,0,0,2|2,0,0]=4 3910 B16R2.477 O=C([O-])CSc1ccc2ccncc2c1 62a_100000686496_100020667443 [0,0,0,0,0,2|2,0,0]=4 3911 B16R2.477 O=C([O-])CSc1ccc2ccncc2c1 62a_100020667443_100000686496 [0,0,0,0,0,2|2,0,0]=4 3912 B16R2.477 O=C([O-])CSc1ccc2cnccc2c1 62a_100009816743_100020667443 [0,0,0,0,0,2|2,0,0]=4 3913 B16R2.477 O=C([O-])CSc1ccc2cnccc2c1 62a_100020667443_100009816743 [0,0,0,0,0,2|2,0,0]=4 3914 B16R2.477 O=C([O-])CSc1ccc2ncccc2c1 62a_100011215947_100020667443 [0,0,0,0,0,2|2,0,0]=4 3915 B16R2.477 O=C([O-])CSc1ccc2ncccc2c1 62a_100020667443_100011215947 [0,0,0,0,0,2|2,0,0]=4 3916 B16R2.477 O=C([O-])CSc1cnc2ccccc2c1 62a_100020667443_100000737414 [0,0,0,0,0,2|2,0,0]=4 3917 B16R2.477 O=[N+]([O-])CNc1ccc2ccccc2c1 34a_100000211940_100000761209 [0,0,0,0,0,2|2,0,0]=4 3918 B16R2.477 O=[N+]([O-])COc1ccc2ccccc2c1 34a_100000185828_100000761209 [0,0,0,0,0,2|2,0,0]=4 3919 B16R2.477 [13CH3]C(=O)C=Cc1ccc2ccccc2n1 1458a_100000184337_200025704644 [0,0,0,0,0,2|1,0,0]=3 3920 B16R2.477 [13CH3]C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200025704644 [0,0,0,0,0,2|0,0,0]=2 3921 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [0,0,0,0,0,2|0,0,0]=2 3922 B16R2.477 [13CH3]C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200025704644 [0,0,0,0,0,2|0,0,0]=2 3923 B16R2.477 [13CH3]C(=O)CSc1cnc2ccccc2n1 1458a_100000185120_200025704644 [0,0,0,0,0,2|2,0,0]=4