0 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Br TS57639 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.8239 CC1C(=O)Nc2cc(ccc2S1)N TS51870 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.8239 Cc1c(nc2cc(ccc2n1)Cl)C TS51568 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl TS44111 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.8239 Cc1ccc2c(c1)NC(=O)C(O2)C TS46269 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.8239 c1c(cnc2c1[nH]c(=O)c(=O)[nH]2)Br TS55663 [0,0,0,0,0,0|2,1,1]=4 6 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O TS14150 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.8239 c1cc2c(cc1Cl)NC(=O)C(C2)N TS18367 [0,0,0,0,0,0|1,0,2]=3 8 B14R2.8239 c1cc2c(cc1Cl)nc(c(n2)Cl)Cl TS59580 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.8239 c1cc2c(cc1Cl)nc(c(n2)O)O TS53757 [0,0,0,0,0,0|1,0,2]=3 10 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 TS42572 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.155 Cc1ccc2ccc(=O)oc2c1 TS42130 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.155 Cc1ccc2ccc(cc2c1)C TS41664 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.155 Cc1ccc2ccc(cc2n1)Cl TS14116 [1,0,0,0,0,0|1,0,1]=3 14 B13R2.155 Cc1ccc2ccc(cc2n1)F TS42304 [1,0,0,0,0,0|1,1,1]=4 15 B13R2.155 Cc1ccc2ccc(nc2c1)C TS41802 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.155 c1cc(=O)[nH]c2c1ccc(=O)[nH]2 TS42415 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.155 c1cc([nH]c-2nc(=O)ccc12)N TS42298 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O TS94031 [1,0,0,0,0,0|1,0,0]=2 19 B13R2.155 c1cc(cc2c1ccc(=O)o2)N TS42281 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br TS00716 [1,0,0,0,0,0|2,1,0]=4 21 B13R2.155 c1cc(cc2c1ccc(c2)Br)O TS08378 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.155 c1cc(cc2c1ccc(c2)O)N TS11137 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.155 c1cc(cc2c1ccc(c2)O)O TS39909 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.155 c1cc(cc2c1ccc(c2)S)S TS51557 [1,0,0,0,0,0|2,1,0]=4 25 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br TS09158 [1,0,0,0,0,0|1,1,1]=4 26 B13R2.155 c1cc(cc2c1ccc(n2)N)Br TS23609 [1,0,0,0,0,0|1,1,1]=4 27 B13R2.155 c1cc(cc2c1ccc(n2)O)Cl TS55673 [1,0,0,0,0,0|0,0,2]=3 28 B13R2.155 c1cc(nc2c1ccc(n2)Cl)Cl TS00717 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 TS22914 [1,0,0,0,0,0|1,1,1]=4 30 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 TS55659 [1,0,0,0,0,0|1,1,0]=3 31 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 TS48002 [1,0,0,0,0,0|1,0,2]=4 32 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 TS48351 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.155 c1cc2c(cc1Cl)NC(=O)CN2 TS48359 [1,0,0,0,0,0|1,0,1]=3 34 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 TS15186 [1,0,0,0,0,0|1,0,1]=3 35 B13R2.155 c1cc2c(cc1Cl)nc(cn2)Cl TS00718 [1,0,0,0,0,0|2,0,1]=4 36 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 TS42459 [1,0,0,0,0,0|1,0,2]=4 37 B13R2.155 c1cc2c(cc1N)NC(=O)CN2 TS42581 [1,0,0,0,0,0|2,0,1]=4 38 B13R2.155 c1cc2c(cc1N)NC(=O)CO2 TS55526 [1,0,0,0,0,0|2,0,1]=4 39 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 TS60322 [1,0,0,0,0,0|1,0,2]=4 40 B13R2.155 c1cc2c(cc1S)NC(=O)CO2 TS14800 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.155 c1cc2cnc(nc2cc1Cl)N TS94436 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.369 CC1C(=O)Nc2ccccc2N1 TS32792 [1,0,0,0,0,0|2,0,1]=4 43 B13R2.369 CC1C(=O)Nc2ccccc2O1 TS42576 [1,0,0,0,0,0|2,0,1]=4 44 B13R2.369 CN1Cc2ccccc2NC1=O TS42461 [1,0,0,0,0,0|2,0,1]=4 45 B13R2.369 Cc1c(nc2ccccc2n1)O TS42151 [1,0,0,0,0,0|2,0,1]=4 46 B13R2.369 Cc1cc2ccccc2cc1C TS10730 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [1,0,0,0,0,0|2,0,1]=4 50 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [1,0,0,0,0,0|2,0,0]=3 51 B13R2.369 c1cc2c([nH]c(=O)c(=O)[nH]2)nc1 TS42547 [1,0,0,0,0,0|2,0,1]=4 52 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N TS94449 [1,0,0,0,0,0|1,0,2]=4 53 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [1,0,0,0,0,0|2,0,0]=3 54 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [1,0,0,0,0,0|2,0,0]=3 55 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [1,0,0,0,0,0|2,0,0]=3 56 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [1,0,0,0,0,0|1,0,0]=2 57 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [1,0,0,0,0,0|2,0,1]=4 58 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [1,0,0,0,0,0|2,0,1]=4 59 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [1,0,0,0,0,0|2,0,0]=3 60 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)O TS89025 [1,0,0,0,0,0|2,0,1]=4 61 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O TS11508 [1,0,0,0,0,0|1,0,2]=4 62 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS54883 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS65622 [1,0,0,0,0,0|3,0,0]=4 64 B13R2.369 c1ccc2cc(c(cc2c1)Br)I TS63813 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.369 c1ccc2cc(c(cc2c1)I)I TS80354 [1,0,0,0,0,0|3,0,0]=4 66 B13R2.369 c1ccc2cc(c(cc2c1)N)N TS00547 [1,0,0,0,0,0|3,0,0]=4 67 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [1,0,0,0,0,0|2,0,0]=3 68 B13R2.369 c1ccc2cc(c(cc2c1)O)O TS59582 [1,0,0,0,0,0|1,0,1]=3 69 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl TS00938 [1,0,0,0,0,0|3,0,0]=4 70 B13R2.3683 Cc1ccc2c(c1)ccc(n2)O TS11124 [1,0,0,0,0,0|3,0,0]=4 71 B13R2.3683 Cc1ccc2c(c1)ncc(n2)O TS01060 [1,0,0,0,0,0|2,0,1]=4 72 B13R2.3683 Cc1ccc2cc(ccc2c1)Br TS49912 [1,0,0,0,0,0|2,1,0]=4 73 B13R2.3683 Cc1ccc2cc(ccc2c1)F TS42175 [1,0,0,0,0,0|2,1,0]=4 74 B13R2.3683 Cc1ccc2cc(ccc2c1)O TS10991 [1,0,0,0,0,0|2,0,0]=3 75 B13R2.3683 Cc1ccc2cc(ccc2n1)Cl TS14103 [1,0,0,0,0,0|3,0,0]=4 76 B13R2.3683 Cc1ccc2cc(ccc2n1)O TS42045 [1,0,0,0,0,0|3,0,0]=4 77 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O TS93479 [1,0,0,0,0,0|3,0,0]=4 78 B13R2.3683 c1cc(=O)oc2c1cc(cc2)O TS42406 [1,0,0,0,0,0|3,0,0]=4 79 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br TS00697 [1,0,0,0,0,0|2,1,0]=4 80 B13R2.3683 c1cc(cc2c1cc(cc2)Br)F TS08359 [1,0,0,0,0,0|2,1,0]=4 81 B13R2.3683 c1cc(cc2c1cc(cc2)Br)N TS00796 [1,0,0,0,0,0|2,1,0]=4 82 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O TS33200 [1,0,0,0,0,0|1,1,0]=3 83 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)Cl TS53803 [1,0,0,0,0,0|2,0,0]=3 84 B13R2.3683 c1cc(cc2c1cc(cc2)O)O TS42138 [1,0,0,0,0,0|2,0,0]=3 85 B13R2.3683 c1cc(cc2c1cc(cc2)S)S TS51558 [1,0,0,0,0,0|2,1,0]=4 86 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br TS87781 [1,0,0,0,0,0|3,0,0]=4 87 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl TS55546 [1,0,0,0,0,0|3,0,0]=4 88 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl TS32896 [1,0,0,0,0,0|3,0,0]=4 89 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N TS47632 [1,0,0,0,0,0|3,0,0]=4 90 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O TS02272 [1,0,0,0,0,0|2,0,0]=3 91 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl TS55265 [1,0,0,0,0,0|3,0,0]=4 92 B13R2.3683 c1cc(nc2c1cc(cc2)I)O TS94279 [1,0,0,0,0,0|2,1,0]=4 93 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Cl TS90731 [1,0,0,0,0,0|2,0,1]=4 94 B13R2.3683 c1cc2c(cc1Cl)ncc(=O)[nH]2 TS16488 [1,0,0,0,0,0|1,0,2]=4 95 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)Cl TS54147 [1,0,0,0,0,0|2,0,1]=4 96 B15R2.1754 c1cc(cc2c1cc(c(=O)o2)C#N)O TS15764 [0,1,0,0,0,0|3,0,0]=4 97 B15R2.62227 c1c2c(cc(c1Cl)Cl)[nH]c(=O)c(=O)[nH]2 TS53108 [0,1,0,0,0,0|1,0,1]=3 98 B15R2.62227 c1c2cc(c(cc2cc(c1O)Br)Br)O TS22765 [0,1,0,0,0,0|2,1,0]=4 99 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)C TS51073 [0,1,0,0,0,0|3,0,0]=4 100 B15R2.63893 Cc1c2ccc(cc2oc(=O)c1Br)O TS09473 [0,1,0,0,0,0|3,0,0]=4 101 B15R2.63893 Cc1c2ccc(cc2oc(=O)c1Cl)O TS21024 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.133 c1cc(ccc1C=C(C(=O)O)S)I TS75881 [0,0,1,0,0,0|1,2,0]=4 103 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Cl TS18730 [0,0,1,0,0,0|1,0,2]=4 104 B13R2.3028 Cc1c2cc(ccc2sc1Br)Cl TS29709 [0,0,0,0,1,0|3,0,0]=4 105 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 TS11373 [0,0,0,0,1,0|2,0,1]=4 106 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 TS09805 [0,0,0,0,1,0|1,1,1]=4 107 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 TS71515 [0,0,0,0,1,0|1,0,1]=3 108 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 TS93440 [0,0,0,0,1,0|1,0,1]=3 109 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 TS03321 [0,0,0,0,1,0|1,1,1]=4 110 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 TS74311 [0,0,0,0,1,0|1,1,1]=4 111 B13R2.3028 c1cc2c(cc1N)C(=O)C(=O)N2 TS11507 [0,0,0,0,1,0|2,0,1]=4 112 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2=O TS42283 [0,0,0,0,1,0|1,0,1]=3 113 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O TS93967 [0,0,0,0,1,0|0,1,1]=3 114 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O TS08441 [0,0,0,0,1,0|0,0,1]=2 115 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O TS85127 [0,0,0,0,1,0|0,1,1]=3 116 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl TS47999 [1,0,1,0,0,0|1,0,0]=3 117 B12R1.21 CC(=O)C=Cc1ccc(cc1)F TS46721 [1,0,1,0,0,0|1,1,0]=4 118 B12R1.21 CC(=O)C=Cc1ccc(cc1)O TS11547 [1,0,1,0,0,0|2,0,0]=4 119 B12R1.21 Cc1ccc(cc1)C=CC(=O)O TS42438 [1,0,1,0,0,0|2,0,0]=4 120 B12R1.21 c1cc(ccc1C=CC(=O)Cl)Cl TS38030 [1,0,1,0,0,0|1,0,0]=3 121 B12R1.21 c1cc(ccc1C=CC(=O)N)Cl TS14846 [1,0,1,0,0,0|0,0,0]=2 122 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl TS48348 [1,0,1,0,0,0|1,0,0]=3 123 B12R1.21 c1cc(ccc1C=CC(=O)O)F TS09125 [1,0,1,0,0,0|1,1,0]=4 124 B12R1.21 c1cc(ccc1C=CC(=O)O)I TS74409 [1,0,1,0,0,0|1,1,0]=4 125 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS32623 [1,0,1,0,0,0|2,0,0]=4 126 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS37794 [1,0,1,0,0,0|2,0,0]=4 127 B12R1.21 c1cc(ccc1C=CC(=O)O)O TS65687 [1,0,1,0,0,0|2,0,0]=4 128 B12R1.21 c1cc(ccc1C=C[N+](=O)[O-])Cl TS15187 [1,0,1,0,0,0|2,0,0]=4 129 B12R1.21 c1cc(ccc1SCC(=O)N)Cl TS38177 [1,0,1,0,0,0|1,0,1]=4 130 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [1,0,1,0,0,0|1,0,0]=3 131 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [1,0,1,0,0,0|2,0,0]=4 132 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl TS48005 [1,0,1,0,0,0|2,0,0]=4 133 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [1,0,1,0,0,0|2,0,0]=4 134 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [1,0,1,0,0,0|1,0,1]=4 135 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [1,0,1,0,0,0|2,0,0]=4 136 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [1,0,1,0,0,0|2,0,0]=4 137 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CBr TS62640 [1,0,1,0,0,0|1,0,1]=4 138 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CCl TS19681 [1,0,1,0,0,0|1,0,1]=4 139 B12R1.50 c1cc(cc(c1)Cl)NC(=O)NN TS23392 [1,0,1,0,0,0|2,0,0]=4 140 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [1,0,1,0,0,0|2,0,0]=4 141 B12R1.127 CC(=O)Nc1cc(ccc1Cl)Cl TS19676 [1,0,1,0,0,0|1,0,1]=4 142 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl TS07914 [1,0,1,0,0,0|1,0,1]=4 143 B12R1.127 Cc1ccc(cc1NC(=O)C)Cl TS48487 [1,0,1,0,0,0|0,0,2]=4 144 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)Br TS55122 [1,0,1,0,0,0|2,0,0]=4 145 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)F TS16077 [1,0,1,0,0,0|2,0,0]=4 146 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [1,0,1,0,0,0|1,0,1]=4 147 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [1,0,1,0,0,0|1,0,1]=4 148 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [1,0,1,0,0,0|1,0,1]=4 149 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [2,0,0,0,0,0|1,0,1]=4 150 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [2,0,0,0,0,0|2,0,0]=4 151 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [2,0,0,0,0,0|1,0,1]=4 152 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [2,0,0,0,0,0|1,0,1]=4 153 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [2,0,0,0,0,0|1,0,1]=4 154 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [2,0,0,0,0,0|1,0,1]=4 155 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [2,0,0,0,0,0|1,0,0]=3 156 B12R2.24 c1cc(cc2c1ccnc2)O TS55679 [2,0,0,0,0,0|2,0,0]=4 157 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [2,0,0,0,0,0|1,0,1]=4 158 B12R2.24 c1cc2c(cc1Cl)nccn2 TS11947 [2,0,0,0,0,0|1,0,1]=4 159 B12R2.24 c1cc2cc(ccc2nc1)Cl TS55590 [2,0,0,0,0,0|2,0,0]=4 160 B12R2.24 c1cc2ccc(cc2nc1)Br TS55665 [2,0,0,0,0,0|0,1,1]=4 161 B12R2.24 c1cc2ccc(cc2nc1)Cl TS39796 [2,0,0,0,0,0|0,0,1]=3 162 B12R2.24 c1cc2ccc(cc2nc1)N TS01298 [2,0,0,0,0,0|1,0,1]=4 163 B12R2.24 c1cc2ccc(cc2nc1)O TS55681 [2,0,0,0,0,0|1,0,1]=4 164 B12R2.24 c1cc2cnccc2cc1O TS55609 [2,0,0,0,0,0|2,0,0]=4 165 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [2,0,0,0,0,0|1,0,1]=4 166 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [2,0,0,0,0,0|0,0,2]=4 167 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [2,0,0,0,0,0|1,0,1]=4 168 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [2,0,0,0,0,0|1,0,1]=4 169 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [2,0,0,0,0,0|1,0,1]=4 170 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [2,0,0,0,0,0|1,0,1]=4 171 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [2,0,0,0,0,0|1,0,1]=4 172 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [2,0,0,0,0,0|0,0,1]=3 173 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [2,0,0,0,0,0|1,0,0]=3 174 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [2,0,0,0,0,0|1,0,1]=4 175 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [2,0,0,0,0,0|1,0,1]=4 176 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [2,0,0,0,0,0|1,0,1]=4 177 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [2,0,0,0,0,0|1,0,1]=4 178 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [2,0,0,0,0,0|0,0,2]=4 179 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [2,0,0,0,0,0|0,0,2]=4 180 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [2,0,0,0,0,0|0,1,1]=4 181 B12R2.24 c1ccc2c(c1)ncc(n2)O TS07193 [2,0,0,0,0,0|1,0,1]=4 182 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [2,0,0,0,0,0|1,1,0]=4 183 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [2,0,0,0,0,0|1,0,0]=3 184 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [2,0,0,0,0,0|1,1,0]=4 185 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [2,0,0,0,0,0|1,1,0]=4 186 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [2,0,0,0,0,0|2,0,0]=4 187 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [2,0,0,0,0,0|1,0,0]=3 188 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [2,0,0,0,0,0|1,1,0]=4 189 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [2,0,0,0,0,0|2,0,0]=4 190 B12R2.24 c1ccc2cnc(cc2c1)Cl TS02718 [2,0,0,0,0,0|2,0,0]=4 191 B12R2.24 c1ccc2cnc(cc2c1)Cl TS40291 [2,0,0,0,0,0|2,0,0]=4 192 B12R2.24 c1ccc2cnc(cc2c1)O TS70624 [2,0,0,0,0,0|2,0,0]=4 193 B14R1.536 c1cc(ccc1C=C(C#N)C(=O)O)Cl TS43352 [0,1,1,0,0,0|2,0,0]=4 194 B14R1.950 c1cc(c(cc1Cl)NC(=O)C=NO)Cl TS53421 [0,1,1,0,0,0|1,0,0]=3 195 B14R2.134 COc1ccc2ccc(=O)oc2c1 TS46067 [1,1,0,0,0,0|2,0,0]=4 196 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O TS14149 [1,1,0,0,0,0|2,0,0]=4 197 B14R2.29365 Cc1cc(=O)[nH]c2c1ccc(c2)N TS16306 [1,1,0,0,0,0|1,0,0]=3 198 B14R2.29365 Cc1cc(=O)c2ccc(cc2[nH]1)Cl TS51717 [1,1,0,0,0,0|1,0,0]=3 199 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N TS33490 [1,1,0,0,0,0|2,0,0]=4 200 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N TS64846 [1,1,0,0,0,0|2,0,0]=4 201 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O TS46066 [1,1,0,0,0,0|2,0,0]=4 202 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)S TS17489 [1,1,0,0,0,0|2,0,0]=4 203 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)[O-] TS18575 [1,1,0,0,0,0|2,0,0]=4 204 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)Cl TS44117 [1,1,0,0,0,0|1,0,1]=4 205 B14R2.29365 Cc1cc(nc2c1ccc(c2)Cl)C TS17382 [1,1,0,0,0,0|1,0,1]=4 206 B14R2.29365 Cc1ccc2c(c1)[nH]c(=O)oc2=O TS13991 [1,1,0,0,0,0|2,0,0]=4 207 B14R2.29365 Cc1ccc2c(cc(=O)oc2c1)C TS13500 [1,1,0,0,0,0|2,0,0]=4 208 B14R2.29365 c1cc(=O)oc2c1c(cc(c2)O)O TS22854 [1,1,0,0,0,0|2,0,0]=4 209 B14R2.29365 c1cc(nc2c1c(=O)[nH]c(=O)[nH]2)Cl TS32810 [1,1,0,0,0,0|2,0,0]=4 210 B14R2.29365 c1cc2c(cc(=O)oc2cc1O)O TS47476 [1,1,0,0,0,0|2,0,0]=4 211 B14R2.29365 c1cc2c(cc1Br)[nH]c(=O)oc2=O TS09607 [1,1,0,0,0,0|1,1,0]=4 212 B14R2.29365 c1cc2c(cc1Cl)[nH]c(=O)[nH]c2=O TS16510 [1,1,0,0,0,0|1,0,0]=3 213 B14R2.29365 c1cc2c(cc1Cl)[nH]c(=O)oc2=O TS71072 [1,1,0,0,0,0|1,0,0]=3 214 B14R2.29365 c1cc2c(cc1F)[nH]c(=O)oc2=O TS03094 [1,1,0,0,0,0|1,1,0]=4 215 B14R2.29365 c1cc2c(cc1N)[nH]c(=O)oc2=O TS47485 [1,1,0,0,0,0|2,0,0]=4 216 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr TS26305 [1,1,0,0,0,0|2,0,0]=4 217 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N TS12794 [1,1,0,0,0,0|1,0,0]=3 218 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O TS09408 [1,1,0,0,0,0|0,0,1]=3 219 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CO TS45929 [1,1,0,0,0,0|0,0,0]=2 220 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N TS12976 [1,1,0,0,0,0|2,0,0]=4 221 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CO TS51709 [1,1,0,0,0,0|1,0,1]=4 222 B14R2.8188 c1ccc2c(c1)c(c(c(=O)[nH]2)Cl)O TS18125 [1,1,0,0,0,0|1,0,0]=3 223 B14R2.28472 c1cc2c(c(c1)O)nc(c(=O)[nH]2)N TS46262 [1,1,0,0,0,0|2,0,0]=4 224 B14R2.2332 CCc1ccc2cc(ccc2c1)O TS55594 [1,1,0,0,0,0|2,0,0]=4 225 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl TS55271 [1,1,0,0,0,0|2,0,0]=4 226 B14R2.2332 COc1ccc2cc(ccc2c1)Br TS65035 [1,1,0,0,0,0|1,1,0]=4 227 B14R2.2332 COc1ccc2cc(ccc2c1)O TS13498 [1,1,0,0,0,0|2,0,0]=4 228 B14R2.2332 c1cc2cc(ccc2cc1C#N)O TS55592 [1,1,0,0,0,0|2,0,0]=4 229 B14R2.2332 c1cc2cc(ccc2cc1C=O)O TS13139 [1,1,0,0,0,0|2,0,0]=4 230 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Br)O TS74739 [1,1,0,0,0,0|1,1,0]=4 231 B14R2.29369 c1cc(c(c2c1cc(cc2)Br)Cl)O TS29106 [1,1,0,0,0,0|1,1,0]=4 232 B14R2.29369 c1cc(c(c2c1cc(cc2)O)F)F TS47839 [1,1,0,0,0,0|1,1,0]=4 233 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Br)Br TS77305 [1,1,0,0,0,0|1,0,1]=4 234 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Cl)Br TS31192 [1,1,0,0,0,0|1,0,1]=4 235 B14R2.29369 c1cc2c(cc1Cl)ncc(c2Cl)I TS77463 [1,1,0,0,0,0|1,0,1]=4 236 B14R2.29369 c1cc2c(cc1Cl)ncc(c2O)Br TS29266 [1,1,0,0,0,0|1,0,1]=4 237 B14R2.29369 c1cc2c(cc1Cl)ncc(c2O)I TS75848 [1,1,0,0,0,0|1,0,1]=4 238 B14R2.645 c1c2c(cc(c1Cl)Br)NC(=O)C2=O TS93477 [0,1,0,0,1,0|1,0,1]=4 239 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Cl TS52084 [0,1,0,0,1,0|1,0,1]=4 240 B14R2.9184 c1c(cc(c2c1C(=O)C(=O)N2)Cl)Cl TS44766 [0,1,0,0,1,0|1,0,1]=4 241 B14R2.1815 CCc1ccc2c(c1)NC(=O)C2=O TS45927 [0,1,0,0,1,0|1,0,1]=4 242 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O TS13998 [0,1,0,0,1,0|1,0,1]=4 243 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)Cl TS52085 [0,1,0,0,1,0|0,0,1]=3 244 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)F TS65170 [0,1,0,0,1,0|0,1,1]=4 245 B14R2.8737 Cc1ccc2c(c1F)NC(=O)C2=O TS64850 [0,1,0,0,1,0|1,0,1]=4 246 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Br)Br TS75788 [0,1,0,0,1,0|0,1,1]=4 247 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl TS70837 [0,1,0,0,1,0|0,0,1]=3 248 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F TS48388 [0,1,0,0,1,0|0,1,1]=4 249 B16R2.23521 c1cc(cc2c1cc(c(c2)C(=O)O)O)Br TS02270 [0,2,0,0,0,0|1,1,0]=4 250 B16R2.23521 c1cc(cc2c1cc(c(c2)C(=O)O)O)O TS38561 [0,2,0,0,0,0|2,0,0]=4 251 B16R2.23521 c1cc2c(cc1Cl)cc(c(n2)O)C(=O)O TS23737 [0,2,0,0,0,0|2,0,0]=4 252 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl TS08437 [0,0,1,1,0,0|2,0,0]=4 253 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl TS18129 [0,0,1,1,0,0|2,0,0]=4 254 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)Cl TS65129 [0,0,1,1,0,0|0,0,2]=4 255 B14R2.8620 c1cc(c2c(c1Cl)C(=O)C(=O)N2)Cl TS44765 [0,0,1,1,0,0|1,0,1]=4 256 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,0,1,0,1,0|1,0,1]=4 257 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS15716 [0,0,1,0,1,0|1,0,1]=4 258 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS93829 [0,0,1,0,1,0|1,0,1]=4 259 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)Cl TS15721 [0,0,1,0,1,0|1,0,1]=4 260 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Cl TS15710 [0,0,1,0,1,0|1,0,1]=4 261 B12R1.354 c1cc(c(cc1Cl)C(=O)NO)O TS50615 [0,0,1,0,1,0|2,0,0]=4 262 B12R2.132 Cc1c[nH]c2c1cc(cc2)Cl TS12106 [1,0,0,0,1,0|2,0,0]=4 263 B12R2.132 Cc1csc2c1cc(cc2)Cl TS15076 [1,0,0,0,1,0|2,0,0]=4 264 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 TS55566 [1,0,0,0,1,0|0,0,2]=4 265 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 TS71510 [1,0,0,0,1,0|1,0,1]=4 266 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 TS43274 [1,0,0,0,1,0|1,0,1]=4 267 B12R2.132 c1cc2c(cc1Cl)C(=O)OC2 TS44936 [1,0,0,0,1,0|1,0,1]=4 268 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)Br TS24973 [1,0,0,0,1,0|2,0,0]=4 269 B12R2.606 Cc1[nH]c2cc(ccc2n1)Cl TS12316 [1,0,0,0,1,0|2,0,0]=4 270 B12R2.606 Cc1cc2ccc(cc2[nH]1)O TS40529 [1,0,0,0,1,0|2,0,0]=4 271 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 TS07438 [1,0,0,0,1,0|2,0,0]=4 272 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 TS40723 [1,0,0,0,1,0|2,0,0]=4 273 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl TS88444 [1,0,0,0,1,0|1,0,1]=4 274 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 TS87018 [1,0,0,0,1,0|1,0,1]=4 275 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl TS89332 [1,0,0,0,1,0|1,0,1]=4 276 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 TS16474 [1,0,0,0,1,0|0,1,1]=4 277 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 TS03247 [1,0,0,0,1,0|1,1,0]=4 278 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)o2 TS44434 [1,0,0,0,1,0|1,1,0]=4 279 B12R2.606 c1cc2c(cc1Cl)CC(=O)C2 TS12308 [1,0,0,0,1,0|1,0,1]=4 280 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 TS55581 [1,0,0,0,1,0|0,0,1]=3 281 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 TS45043 [1,0,0,0,1,0|1,0,0]=3 282 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)s2 TS09830 [1,0,0,0,1,0|1,0,0]=3 283 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)Cl TS15755 [1,0,0,0,1,0|2,0,0]=4 284 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)S TS48679 [1,0,0,0,1,0|1,1,0]=4 285 B12R2.606 c1cc2c(cc1Cl)oc(=O)[nH]2 TS45042 [1,0,0,0,1,0|2,0,0]=4 286 B12R2.606 c1cc2c(cc1Cl)sc(=O)[nH]2 TS55564 [1,0,0,0,1,0|2,0,0]=4 287 B12R2.606 c1cc2c(cc1F)NC(=O)C2 TS01232 [1,0,0,0,1,0|0,1,1]=4 288 B12R2.606 c1cc2c(cc1F)[nH]c(=O)[nH]2 TS03295 [1,0,0,0,1,0|1,1,0]=4 289 B12R2.606 c1cc2c(cc1I)[nH]c(=O)[nH]2 TS29410 [1,0,0,0,1,0|1,1,0]=4 290 B12R2.606 c1cc2c(cc1N)NC(=O)C2 TS87386 [1,0,0,0,1,0|1,0,1]=4 291 B12R2.606 c1cc2c(cc1N)[nH]c(=O)[nH]2 TS03216 [1,0,0,0,1,0|2,0,0]=4 292 B12R2.606 c1cc2c(cc1O)NC(=O)C2 TS16297 [1,0,0,0,1,0|1,0,1]=4 293 B12R2.18 CC1c2ccccc2NC1=O TS85089 [1,0,0,0,1,0|1,0,1]=4 294 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [1,0,0,0,1,0|2,0,0]=4 295 B12R2.18 Cn1c2ccccc2cc1O TS07340 [1,0,0,0,1,0|2,0,0]=4 296 B12R2.18 c1cc2c(nc1)NC(=O)C2=O TS00460 [1,0,0,0,1,0|1,0,1]=4 297 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [1,0,0,0,1,0|1,0,0]=3 298 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [1,0,0,0,1,0|0,0,1]=3 299 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [1,0,0,0,1,0|1,0,1]=4 300 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [1,0,0,0,1,0|0,0,2]=4 301 B12R2.612 Cc1c[nH]c2c1ccc(n2)Cl TS87182 [1,0,0,0,1,0|2,0,0]=4 302 B12R2.612 Cc1ccc2c(c1)[nH]nc2O TS40615 [1,0,0,0,1,0|2,0,0]=4 303 B12R2.612 c1c2c(cnc1Cl)c(c[nH]2)Br TS90841 [1,0,0,0,1,0|2,0,0]=4 304 B12R2.612 c1cc2c(cc1Br)[nH]cc2Br TS33657 [1,0,0,0,1,0|1,1,0]=4 305 B12R2.612 c1cc2c(cc1Br)[nH]nc2O TS09157 [1,0,0,0,1,0|1,1,0]=4 306 B12R2.612 c1cc2c(cc1Cl)[nH]nc2I TS34053 [1,0,0,0,1,0|2,0,0]=4 307 B12R2.612 c1cc2c(cc1Cl)[nH]nc2O TS44938 [1,0,0,0,1,0|1,0,0]=3 308 B12R2.612 c1cc2c(cc1Cl)onc2O TS85119 [1,0,0,0,1,0|2,0,0]=4 309 B12R2.612 c1cc2c(cc1F)[nH]nc2O TS41097 [1,0,0,0,1,0|1,1,0]=4 310 B12R2.612 c1cc2c(cc1N)[nH]nc2O TS07551 [1,0,0,0,1,0|2,0,0]=4 311 B14R2.738 c1ccc2c(c1)NC(=O)CC(=O)N2 TS46076 [1,0,0,0,0,1|1,0,1]=4 312 B14R2.741 c1ccc2c(c1)ccc(c(=O)n2)I TS34501 [1,0,0,0,0,1|1,0,1]=4