0 B14R2.28472 Cc1cccc2c1cc(c(c2)C)C TS45179 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl TS51382 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N TS13199 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.28472 c1c2c(cc(c1O)O)ncnc2Cl TS85992 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.28472 c1cnc2cc(c(cc2c1Cl)Cl)Cl TS71051 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.28472 c1cnc2cc(c(cc2c1Cl)F)F TS18878 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl TS14115 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 Cc1ccc2cccc(c2c1)C TS10739 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.162 Cc1ccc2cccc(c2c1)O TS10989 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 Cc1ccc2cccc(c2n1)Cl TS14101 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.162 Cc1ccc2cccc(c2n1)F TS11390 [1,0,0,0,0,0|1,1,1]=4 11 B13R2.162 Cc1ccc2cccc(c2n1)N TS01309 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.162 Cc1ccc2cccc(c2n1)O TS85354 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.162 Cc1cccc2c1nc(cc2)C TS10881 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.162 c1cc(cc2c1ccnc2Cl)Br TS55653 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.162 c1cc(nc2c1nccc2Cl)Cl TS89810 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 TS48000 [1,0,0,0,0,0|1,0,2]=4 17 B13R2.162 c1cc2c(c(c1)O)NC(=O)CC2 TS42574 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl TS55549 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl TS18561 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl TS09007 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.162 c1cc2c(cc1I)c(ccn2)Cl TS35239 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.162 c1cc2c(cc1O)c(ccn2)Cl TS32963 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.162 c1cc2ccc(cc2c(c1)N)O TS11123 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.162 c1cc2ccc(cc2c(c1)O)O TS39907 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl TS07930 [1,0,0,0,0,0|1,0,1]=3 26 B13R2.162 c1cc2ccc(nc2c(c1)O)N TS11251 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.162 c1cc2ccc(nc2c(c1)O)O TS59682 [1,0,0,0,0,0|1,0,2]=4 28 B13R2.369 CC1C(=O)Nc2ccccc2N1 TS32792 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.369 CC1C(=O)Nc2ccccc2O1 TS42576 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.369 CN1Cc2ccccc2NC1=O TS42461 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.369 Cc1c(nc2ccccc2n1)O TS42151 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.369 Cc1cc2ccccc2cc1C TS10730 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [1,0,0,0,0,0|2,0,1]=4 36 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [1,0,0,0,0,0|2,0,0]=3 37 B13R2.369 c1cc2c([nH]c(=O)c(=O)[nH]2)nc1 TS42547 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N TS94449 [1,0,0,0,0,0|1,0,2]=4 39 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [1,0,0,0,0,0|2,0,0]=3 40 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [1,0,0,0,0,0|2,0,0]=3 41 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [1,0,0,0,0,0|2,0,0]=3 42 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [1,0,0,0,0,0|1,0,0]=2 43 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [1,0,0,0,0,0|2,0,1]=4 44 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [1,0,0,0,0,0|2,0,0]=3 46 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)O TS89025 [1,0,0,0,0,0|2,0,1]=4 47 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O TS11508 [1,0,0,0,0,0|1,0,2]=4 48 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS54883 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS65622 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.369 c1ccc2cc(c(cc2c1)Br)I TS63813 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.369 c1ccc2cc(c(cc2c1)I)I TS80354 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.369 c1ccc2cc(c(cc2c1)N)N TS00547 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [1,0,0,0,0,0|2,0,0]=3 54 B13R2.369 c1ccc2cc(c(cc2c1)O)O TS59582 [1,0,0,0,0,0|1,0,1]=3 55 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl TS14112 [1,0,0,0,0,0|3,0,0]=4 56 B13R2.5179 Cc1ccc2c(cccc2c1)C TS41659 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1O TS11367 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Cl TS18555 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br TS55536 [1,0,0,0,0,0|3,0,0]=4 60 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl TS18560 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl TS16494 [1,0,0,0,0,0|3,0,0]=4 62 B13R2.5179 c1cc2c(ccnc2cc1Cl)Cl TS60042 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.5179 c1cc2c(ccnc2cc1F)Cl TS14837 [1,0,0,0,0,0|3,0,0]=4 64 B13R2.5179 c1cc2c(ccnc2cc1I)Cl TS55682 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.5179 c1cc2c(ccnc2cc1O)Cl TS14467 [1,0,0,0,0,0|2,0,0]=3 66 B13R2.5179 c1cc2cc(ccc2c(c1)N)O TS11148 [1,0,0,0,0,0|2,0,0]=3 67 B13R2.5179 c1cc2cc(ccc2c(c1)O)N TS42041 [1,0,0,0,0,0|3,0,0]=4 68 B13R2.5179 c1cc2cc(ccc2c(c1)O)O TS46823 [1,0,0,0,0,0|2,0,0]=3 69 B13R2.5179 c1cc2cc(cnc2c(c1)F)I TS74315 [1,0,0,0,0,0|1,1,1]=4 70 B13R2.5179 c1cnc2cc(cnc2c1Cl)Br TS89670 [1,0,0,0,0,0|2,0,1]=4 71 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl TS63649 [1,0,0,0,0,0|2,0,1]=4 72 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl TS90225 [1,0,0,0,0,0|2,0,1]=4 73 B15R2.2039 c1cc2cc(c(nc2c(c1)Cl)Cl)C=O TS85479 [0,1,0,0,0,0|1,0,2]=4 74 B15R2.86973 COc1cccc2c1[nH]c(=O)c(n2)N TS51280 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.4825 Cc1cccc2c1NC(=O)C2=O TS11386 [0,0,0,0,1,0|1,0,1]=3 76 B13R2.4825 Cc1cccc2c1[nH]c(c2C)C TS42080 [0,0,0,0,1,0|3,0,0]=4 77 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O TS55660 [0,0,0,0,1,0|0,1,1]=3 78 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O TS16507 [0,0,0,0,1,0|0,0,1]=2 79 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O TS16519 [0,0,0,0,1,0|0,1,1]=3 80 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O TS74312 [0,0,0,0,1,0|0,1,1]=3 81 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 TS09606 [0,0,0,0,1,0|1,1,1]=4 82 B13R2.4856 c1cc2c(c(c1)Cl)C(=O)C(=O)N2 TS71071 [0,0,0,0,1,0|1,0,1]=3 83 B13R2.4856 c1cc2c(c(c1)F)C(=O)C(=O)N2 TS03093 [0,0,0,0,1,0|1,1,1]=4 84 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=O)O TS19896 [1,0,1,0,0,0|1,0,1]=4 85 B12R1.224 c1cc(c(c(c1)Cl)F)CC(=O)O TS16083 [1,0,1,0,0,0|1,0,1]=4 86 B12R1.371 c1ccc(c(c1)NC(=O)CBr)Cl TS62636 [1,0,1,0,0,0|1,0,1]=4 87 B12R1.371 c1ccc(c(c1)NC(=O)CCl)Cl TS19680 [1,0,1,0,0,0|1,0,1]=4 88 B12R1.371 c1ccc(c(c1)NC(=O)NN)Cl TS48797 [1,0,1,0,0,0|2,0,0]=4 89 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [1,0,1,0,0,0|1,0,0]=3 90 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [1,0,1,0,0,0|2,0,0]=4 91 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl TS48005 [1,0,1,0,0,0|2,0,0]=4 92 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [1,0,1,0,0,0|2,0,0]=4 93 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [1,0,1,0,0,0|1,0,1]=4 94 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [1,0,1,0,0,0|2,0,0]=4 95 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [1,0,1,0,0,0|2,0,0]=4 96 B12R1.226 Cc1cccc(c1)C=CC(=O)Cl TS14697 [1,0,1,0,0,0|2,0,0]=4 97 B12R1.226 Cc1cccc(c1)C=CC(=O)O TS11541 [1,0,1,0,0,0|2,0,0]=4 98 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O TS24314 [1,0,1,0,0,0|1,1,0]=4 99 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [1,0,1,0,0,0|1,0,0]=3 100 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)N TS15520 [1,0,1,0,0,0|1,0,1]=4 101 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O TS65085 [1,0,1,0,0,0|1,1,0]=4 102 B12R1.226 c1cc(cc(c1)O)C=CC(=O)O TS42701 [1,0,1,0,0,0|2,0,0]=4 103 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [1,0,1,0,0,0|2,0,0]=4 104 B12R1.125 c1ccc(c(c1)NCC(=O)O)Cl TS93284 [1,0,1,0,0,0|1,0,1]=4 105 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl TS19679 [1,0,1,0,0,0|1,0,1]=4 106 B12R1.1009 Cc1cccc(c1NC(=O)C)Cl TS48482 [1,0,1,0,0,0|0,0,2]=4 107 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl TS47297 [1,0,1,0,0,0|2,0,0]=4 108 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F TS09637 [1,0,1,0,0,0|2,0,0]=4 109 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [2,0,0,0,0,0|1,0,1]=4 110 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [2,0,0,0,0,0|2,0,0]=4 111 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [2,0,0,0,0,0|1,0,1]=4 112 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [2,0,0,0,0,0|1,0,1]=4 113 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [2,0,0,0,0,0|1,0,1]=4 114 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [2,0,0,0,0,0|1,0,0]=3 115 B12R2.24 c1cc(cc2c1ccnc2)O TS55679 [2,0,0,0,0,0|2,0,0]=4 116 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [2,0,0,0,0,0|1,0,1]=4 117 B12R2.24 c1cc2ccc(cc2nc1)O TS55681 [2,0,0,0,0,0|2,0,0]=4 118 B12R2.24 c1cc2cnccc2cc1O TS55609 [2,0,0,0,0,0|2,0,0]=4 119 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [2,0,0,0,0,0|1,0,1]=4 120 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [2,0,0,0,0,0|0,0,2]=4 121 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [2,0,0,0,0,0|1,0,1]=4 122 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [2,0,0,0,0,0|1,0,1]=4 123 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [2,0,0,0,0,0|1,0,1]=4 124 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [2,0,0,0,0,0|1,0,1]=4 125 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [2,0,0,0,0,0|1,0,1]=4 126 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [2,0,0,0,0,0|0,0,1]=3 127 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [2,0,0,0,0,0|1,0,0]=3 128 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [2,0,0,0,0,0|1,0,1]=4 129 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [2,0,0,0,0,0|1,0,1]=4 130 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [2,0,0,0,0,0|1,0,1]=4 131 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [2,0,0,0,0,0|1,0,1]=4 132 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [2,0,0,0,0,0|0,0,2]=4 133 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [2,0,0,0,0,0|0,0,2]=4 134 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [2,0,0,0,0,0|0,1,1]=4 135 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [2,0,0,0,0,0|1,0,1]=4 136 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [2,0,0,0,0,0|2,0,0]=4 137 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [2,0,0,0,0,0|2,0,0]=4 138 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [2,0,0,0,0,0|2,0,0]=4 139 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [2,0,0,0,0,0|2,0,0]=4 140 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [2,0,0,0,0,0|2,0,0]=4 141 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [2,0,0,0,0,0|1,0,0]=3 142 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [2,0,0,0,0,0|1,1,0]=4 143 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [2,0,0,0,0,0|2,0,0]=4 144 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [2,0,0,0,0,0|2,0,0]=4 145 B12R2.1081 Cc1cccc2c1cccc2 TS00494 [2,0,0,0,0,0|2,0,0]=4 146 B12R2.1081 Cc1cccc2c1nccc2 TS55712 [2,0,0,0,0,0|1,0,1]=4 147 B12R2.1081 c1cc2c(c(c1)Cl)CCC=C2 TS11961 [2,0,0,0,0,0|1,0,1]=4 148 B12R2.1081 c1cc2c(cccn2)c(c1)Cl TS39771 [2,0,0,0,0,0|2,0,0]=4 149 B12R2.1081 c1cc2cccnc2c(c1)Br TS01320 [2,0,0,0,0,0|0,1,1]=4 150 B12R2.1081 c1cc2cccnc2c(c1)Cl TS55700 [2,0,0,0,0,0|0,0,1]=3 151 B12R2.1081 c1cc2cccnc2c(c1)F TS33204 [2,0,0,0,0,0|0,1,1]=4 152 B12R2.1081 c1cc2cccnc2c(c1)I TS28721 [2,0,0,0,0,0|0,1,1]=4 153 B12R2.1081 c1cc2cccnc2c(c1)N TS01310 [2,0,0,0,0,0|1,0,1]=4 154 B12R2.1081 c1cc2cccnc2c(c1)O TS27898 [2,0,0,0,0,0|1,0,1]=4 155 B12R2.1081 c1cc2cccnc2c(c1)O TS59629 [2,0,0,0,0,0|1,0,1]=4 156 B12R2.1081 c1cc2cccnc2c(c1)O TS81282 [2,0,0,0,0,0|1,0,1]=4 157 B12R2.1081 c1cc2cccnc2c(c1)O TS82566 [2,0,0,0,0,0|1,0,1]=4 158 B12R2.1081 c1cc2cccnc2c(c1)S TS53924 [2,0,0,0,0,0|1,0,1]=4 159 B12R2.1081 c1cc2cccnc2c(c1)[O-] TS43188 [2,0,0,0,0,0|1,0,1]=4 160 B12R2.1081 c1cc2ccncc2c(c1)Cl TS39366 [2,0,0,0,0,0|2,0,0]=4 161 B12R2.1081 c1cc2cnccc2c(c1)Cl TS71517 [2,0,0,0,0,0|2,0,0]=4 162 B12R2.1081 c1cc2cncnc2c(c1)Cl TS11948 [2,0,0,0,0,0|1,0,1]=4 163 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl TS71079 [2,0,0,0,0,0|2,0,0]=4 164 B12R2.1081 c1ccc2c(c1)cccc2Br TS20310 [2,0,0,0,0,0|1,1,0]=4 165 B12R2.1081 c1ccc2c(c1)cccc2Cl TS11631 [2,0,0,0,0,0|1,0,0]=3 166 B12R2.1081 c1ccc2c(c1)cccc2F TS60210 [2,0,0,0,0,0|1,1,0]=4 167 B12R2.1081 c1ccc2c(c1)cccc2I TS63322 [2,0,0,0,0,0|1,1,0]=4 168 B12R2.1081 c1ccc2c(c1)cccc2N TS39905 [2,0,0,0,0,0|2,0,0]=4 169 B12R2.1081 c1ccc2c(c1)cccc2N TS47802 [2,0,0,0,0,0|2,0,0]=4 170 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [2,0,0,0,0,0|2,0,0]=4 171 B12R2.1081 c1ccc2c(c1)cccc2S TS11301 [2,0,0,0,0,0|2,0,0]=4 172 B12R2.1081 c1ccc2c(c1)ccnc2Cl TS46936 [2,0,0,0,0,0|2,0,0]=4 173 B14R2.142 c1cc(cc2c1ccnc2Cl)C=O TS17379 [1,1,0,0,0,0|2,0,0]=4 174 B14R2.142 c1cc2ccc(nc2c(c1)O)C=O TS01867 [1,1,0,0,0,0|1,0,1]=4 175 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O TS14149 [1,1,0,0,0,0|2,0,0]=4 176 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)Cl TS44114 [1,1,0,0,0,0|1,0,1]=4 177 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)O TS51713 [1,1,0,0,0,0|1,0,1]=4 178 B14R2.8045 Cc1cccc2c1[nH]c(=O)oc2=O TS46243 [1,1,0,0,0,0|2,0,0]=4 179 B14R2.8045 c1cc2c(c(c1)Br)[nH]c(=O)oc2=O TS26772 [1,1,0,0,0,0|1,1,0]=4 180 B14R2.8045 c1cc2c(c(c1)F)[nH]c(=O)oc2=O TS48037 [1,1,0,0,0,0|1,1,0]=4 181 B14R2.11684 COc1cccc2c1oc(=O)cc2 TS46060 [1,1,0,0,0,0|2,0,0]=4 182 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr TS26305 [1,1,0,0,0,0|2,0,0]=4 183 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N TS12794 [1,1,0,0,0,0|1,0,0]=3 184 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O TS09408 [1,1,0,0,0,0|0,0,1]=3 185 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CO TS45929 [1,1,0,0,0,0|0,0,0]=2 186 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N TS12976 [1,1,0,0,0,0|2,0,0]=4 187 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CO TS51709 [1,1,0,0,0,0|1,0,1]=4 188 B14R2.8188 c1ccc2c(c1)c(c(c(=O)[nH]2)Cl)O TS18125 [1,1,0,0,0,0|1,0,0]=3 189 B14R2.1801 COc1cc2c(c(ccn2)Cl)nc1 TS87103 [1,1,0,0,0,0|1,0,1]=4 190 B14R2.1801 COc1ccc2c(c1)cccc2Br TS56904 [1,1,0,0,0,0|1,1,0]=4 191 B14R2.1801 COc1ccc2c(c1)cccc2O TS01252 [1,1,0,0,0,0|2,0,0]=4 192 B14R2.1801 COc1ccc2c(c1)ccnc2Cl TS46934 [1,1,0,0,0,0|2,0,0]=4 193 B14R2.1801 COc1ccc2c(ccnc2c1)Cl TS71054 [1,1,0,0,0,0|2,0,0]=4 194 B14R2.8038 c1cc2c(c(c1)Cl)ncc(c2O)Cl TS44441 [1,1,0,0,0,0|1,0,1]=4 195 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Cl)O TS29106 [1,1,0,0,0,0|2,0,0]=4 196 B14R2.29369 c1cc(c(c2c1cc(cc2)O)F)F TS47839 [1,1,0,0,0,0|1,1,0]=4 197 B14R2.8620 Cc1ccc(c2c1C(=O)C(=O)N2)F TS09159 [0,1,0,0,1,0|0,1,1]=4 198 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)Br TS16772 [0,1,0,0,1,0|1,0,1]=4 199 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)Cl TS65129 [0,1,0,0,1,0|1,0,1]=4 200 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)F TS09123 [0,1,0,0,1,0|1,0,1]=4 201 B14R2.8620 c1cc(c2c(c1Cl)C(=O)C(=O)N2)Cl TS44765 [0,1,0,0,1,0|0,0,1]=3 202 B14R2.8620 c1cc(c2c(c1F)C(=O)C(=O)N2)F TS48387 [0,1,0,0,1,0|0,1,1]=4 203 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)Cl TS52085 [0,1,0,0,1,0|1,0,1]=4 204 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)F TS65170 [0,1,0,0,1,0|1,0,1]=4 205 B14R2.8737 Cc1ccc2c(c1F)NC(=O)C2=O TS64850 [0,1,0,0,1,0|0,1,1]=4 206 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)C TS13679 [0,1,0,0,1,0|1,0,1]=4 207 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Br TS57308 [0,1,0,0,1,0|1,0,1]=4 208 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Cl TS52084 [0,1,0,0,1,0|1,0,1]=4 209 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)F TS65165 [0,1,0,0,1,0|1,0,1]=4 210 B14R2.9184 Cc1cc2c(c(c1)Br)NC(=O)C2=O TS57307 [0,1,0,0,1,0|0,1,1]=4 211 B14R2.9184 Cc1cc2c(c(c1)F)NC(=O)C2=O TS64849 [0,1,0,0,1,0|0,1,1]=4 212 B14R2.9184 c1c(cc(c2c1C(=O)C(=O)N2)Cl)Cl TS44766 [0,1,0,0,1,0|0,0,1]=3 213 B14R2.11645 CCc1cccc2c1NC(=O)C2=O TS45921 [0,1,0,0,1,0|1,0,1]=4 214 B14R2.4506 Cc1ccc2c(c1Cl)C(=O)C(=O)N2 TS18126 [0,1,0,0,1,0|1,0,1]=4 215 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl TS70837 [0,1,0,0,1,0|1,0,1]=4 216 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)Br TS26303 [0,0,1,1,0,0|1,1,0]=4 217 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)Cl TS17968 [0,0,1,1,0,0|1,0,0]=3 218 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)Cl TS68308 [0,0,1,1,0,0|1,1,0]=4 219 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O TS57490 [0,0,1,1,0,0|1,1,0]=4 220 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O TS53753 [0,0,1,1,0,0|1,0,0]=3 221 B14R2.7969 CC(=O)c1cc2cccc(c2o1)O TS46063 [0,0,1,1,0,0|2,0,0]=4 222 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O TS15708 [0,0,1,0,1,0|1,0,1]=4 223 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)O TS15715 [0,0,1,0,1,0|1,0,1]=4 224 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F TS12471 [0,0,1,0,1,0|1,1,0]=4 225 B12R2.202 Cc1cc2ccnc(c2[nH]1)Cl TS86480 [1,0,0,0,1,0|2,0,0]=4 226 B12R2.202 c1cc(c2c(c1)sc(=O)[nH]2)F TS45001 [1,0,0,0,1,0|1,1,0]=4 227 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 TS21232 [1,0,0,0,1,0|0,1,1]=4 228 B12R2.202 c1cc2c(c(c1)Br)[nH]c(=O)s2 TS09581 [1,0,0,0,1,0|1,1,0]=4 229 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)C2 TS12307 [1,0,0,0,1,0|1,0,1]=4 230 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 TS60055 [1,0,0,0,1,0|2,0,0]=4 231 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 TS40986 [1,0,0,0,1,0|0,1,1]=4 232 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 TS12305 [1,0,0,0,1,0|0,0,2]=4 233 B12R2.203 c1cc2c(c(c1)Cl)C(=O)OC2 TS16508 [1,0,0,0,1,0|1,0,1]=4 234 B12R2.203 c1cc2c(c(c1)Cl)c(=O)[nH]o2 TS09630 [1,0,0,0,1,0|2,0,0]=4 235 B12R2.18 CC1c2ccccc2NC1=O TS85089 [1,0,0,0,1,0|1,0,1]=4 236 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [1,0,0,0,1,0|2,0,0]=4 237 B12R2.18 Cn1c2ccccc2cc1O TS07340 [1,0,0,0,1,0|2,0,0]=4 238 B12R2.18 c1cc2c(nc1)NC(=O)C2=O TS00460 [1,0,0,0,1,0|1,0,1]=4 239 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [1,0,0,0,1,0|1,0,0]=3 240 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [1,0,0,0,1,0|0,0,1]=3 241 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [1,0,0,0,1,0|1,0,1]=4 242 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [1,0,0,0,1,0|0,0,2]=4 243 B12R2.196 Cc1cccc2c1[nH]cc2Br TS20830 [1,0,0,0,1,0|2,0,0]=4 244 B12R2.196 Cc1csc2c1cccc2Cl TS85145 [1,0,0,0,1,0|2,0,0]=4 245 B12R2.196 c1cc2c(c(c1)Br)[nH]nc2O TS44290 [1,0,0,0,1,0|1,1,0]=4 246 B12R2.196 c1cc2c(c(c1)Cl)[nH]nc2O TS44942 [1,0,0,0,1,0|1,0,0]=3 247 B12R2.196 c1cc2c(c[nH]c2c(c1)Cl)Br TS24974 [1,0,0,0,1,0|1,0,0]=3 248 B12R2.196 c1cc2c(c[nH]c2c(c1)N)Cl TS19516 [1,0,0,0,1,0|2,0,0]=4 249 B14R1.337 CC(=O)CC(=O)Nc1ccccc1Cl TS44078 [0,0,1,0,0,1|0,0,2]=4 250 B14R2.738 c1ccc2c(c1)NC(=O)CC(=O)N2 TS46076 [1,0,0,0,0,1|1,0,1]=4