0 B12R1.16 CCOC(=O)c1ccc(cc1)Br BC202043 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.16 CCOC(=O)c1ccc(cc1)I BC206124 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.16 CCOC(=O)c1ccc(cc1)N BC203342 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.16 CCOC(=O)c1ccc(nc1)N BC205872 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.16 CCOC(=O)c1ccc(nc1)O BC228001 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.16 CCOC(=O)c1cnc(nc1)Cl BC280175 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.16 c1cc(ccc1C(=O)CC#N)F BC226160 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.16 c1cc(ccc1C(=O)CCCl)F BC200670 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.1 c1cc(ccc1\C=C\CO)Br BC600228 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.16 CCOC(=O)c1cccnc1 BC226788 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.16 CCOC(=O)c1ccncn1 BC201450 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.16 CCOC(=O)c1ccnnc1 BC201464 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.16 COCC(=O)c1ccccc1 BC644213 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.16 c1ccc(cc1)C(=O)CCBr BC675527 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 c1ccc(cc1)C(=O)N=C=S BC685804 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.22 CCC(=O)c1ccc(cc1)N BC210208 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.22 CCC(=O)c1ccc(cc1)O BC227841 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.22 CNC(=O)c1ccc(cc1)Br BC290335 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.22 COC(=O)c1ccc(cc1)Br BC215377 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.22 COC(=O)c1ccc(cc1)I BC213654 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.22 COC(=O)c1ccc(cc1)[O-] BC209217 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.22 COC(=O)c1ccc(cn1)Br BC219158 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.22 COC(=O)c1ccc(cn1)O BC224006 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.22 COC(=O)c1ccc(nc1)Br BC219205 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.22 COC(=O)c1ccc(nc1)Cl BC219222 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.22 COC(=O)c1ccc(nc1)F BC219217 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.22 COC(=O)c1ccc(nc1)N BC227076 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.22 COC(=O)c1cnc(cn1)Cl BC208084 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.22 COC(=O)c1cnc(cn1)O BC219767 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.22 Cc1ccc(cc1)C(=O)CN BC201176 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.22 Cc1ccc(cn1)C(=O)OC BC207925 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.22 c1cc(ccc1C(=O)CBr)N BC652867 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.22 c1cc(ccc1C(=O)CBr)O BC685303 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.22 c1cc(ccc1C(=O)CN)Br BC201169 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.22 c1cc(ccc1C(=O)CN)Br BC253950 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.22 c1cc(ccc1C(=O)CN)Cl BC201170 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.22 c1cc(ccc1C(=O)CN)F BC201168 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.22 c1cc(ccc1C(=O)CN)F BC201440 [1,0,0,0,0,0|2,0,0]=3 38 B13R1.17 CCCOC(=O)c1ccc(cc1)[O-] BC209218 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.17 c1cc(ccc1C(=O)NCCO)N BC206122 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.452 CCOC(=O)c1ccc(cc1)CBr BC216627 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.452 CCOC(=O)c1ccc(cc1)NN BC223833 [0,1,0,0,0,0|0,0,0]=1 42 B13R1.452 CCOC(=O)c1ccc(nc1)C#N BC211803 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.452 CCOC(=O)c1cnc(cn1)CO BC684780 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.452 CCOC(=O)c1cnc(nc1)SC BC220802 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.452 COc1ccc(cc1)C(=O)CCCl BC200635 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)F BC653645 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)N BC652709 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl BC681911 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.5179 c1cc2c(cc1Br)CCNC2=O BC682186 [0,0,0,1,0,0|2,0,0]=3 50 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O BC216116 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.5179 c1cc2c(cc1F)CCCC2=O BC216115 [0,0,0,1,0,0|2,0,0]=3 52 B13R2.5179 c1cc2c(cc1N)CCCC2=O BC219855 [0,0,0,1,0,0|1,0,0]=2 53 B13R2.5179 c1cc2c(cc1O)CCCC2=O BC681082 [0,0,0,1,0,0|2,0,0]=3 54 B11R1.15 CCOC(=O)c1c[nH]c(n1)C BC679139 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.15 CCOC(=O)c1cnc(s1)Br BC201204 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.15 CCOC(=O)c1cnc(s1)N BC677003 [0,0,0,0,1,0|2,0,0]=3 57 B11R1.15 CCOC(=O)c1csc(n1)N BC204793 [0,0,0,0,1,0|2,0,0]=3 58 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br BC204643 [0,0,0,0,0,1|1,0,0]=2 59 B13R1.19 CCOC(=O)Cc1ccc(cc1)O BC220911 [0,0,0,0,0,1|1,0,0]=2 60 B10R1.1 CCOc1ccc(cn1)N BC215883 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.1 CCOc1ccc(nc1)Cl BC228804 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.1 COCc1ccc(cc1)O BC674868 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.15 COC(=O)c1ccncc1 BC205546 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.15 COC(=O)c1cnccn1 BC205804 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.15 COC(=O)c1ncccn1 BC228090 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.15 c1ccnc(c1)C(=O)CBr BC684167 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.15 c1cnccc1C(=O)CBr BC677150 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.13 CC(=O)c1ccc(cc1)Br BC227589 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.13 CC(=O)c1ccc(cc1)Cl BC676864 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.13 CC(=O)c1ccc(cc1)F BC204121 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.13 CC(=O)c1ccc(cc1)O BC675526 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.13 CC(=O)c1ccc(cn1)Br BC655306 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.13 CC(=O)c1ccc(nc1)Br BC225222 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.13 CC(=O)c1ccc(nc1)Cl BC200352 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.13 Cc1ccc(cc1)C(=O)O BC675261 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.13 Cc1ccc(cn1)C(=O)C BC678853 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.13 Cc1ccc(cn1)C(=O)O BC227043 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.13 Cc1ccc(nc1)C(=O)O BC207540 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.13 c1cc(ccc1C(=N)N)N BC213772 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.13 c1cc(ccc1C(=O)N)O BC219028 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.13 c1cc(ccc1C(=O)O)I BC210636 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.13 c1cc(ccc1C(=O)O)N BC227499 [2,0,0,0,0,0|0,0,0]=2 85 B10R1.13 c1cc(ccc1C(=O)O)O BC228180 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] BC203717 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.13 c1cc(ncc1Br)C(=O)O BC213733 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.13 c1cc(ncc1C(=O)O)F BC214606 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.13 c1cc(ncc1C(=O)O)N BC213736 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.13 c1cc(ncc1C(=O)O)O BC215635 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.13 c1cc(ncc1Cl)C(=O)O BC224603 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.13 c1cc(ncc1F)C(=O)O BC224604 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.13 c1cc(ncc1N)C(=O)N BC228144 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.13 c1cc(ncc1N)C(=O)O BC210785 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.13 c1cc(ncc1O)C(=O)O BC224042 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.17 CCOC(=O)c1cc(=O)[nH]cn1 BC676022 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.17 CCOC(=O)c1ccnc(c1)N BC651040 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.17 CNCC(=O)c1cccc(c1)O BC679056 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.34 CN(C(=O)c1ccccc1)OC BC210651 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.308 CCOC(=O)c1c(cccn1)N BC681195 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.308 CCOC(=O)c1cnccc1O BC224109 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.308 CCOC(=O)c1cncnc1Cl BC671521 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.308 CCOC(=O)c1cncnc1O BC205004 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.5 COC(=O)c1ccc(cc1)C#N BC206382 [1,1,0,0,0,0|0,0,1]=3 105 B12R1.5 COC(=O)c1ccc(cc1)C=O BC206269 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.5 COC(=O)c1ccc(cc1)CBr BC204605 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.5 COC(=O)c1ccc(cc1)CCl BC206284 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.5 COC(=O)c1ccc(cc1)CO BC651940 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.5 COc1ccc(cc1)C(=O)CCl BC220494 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.5 COc1ccc(cc1)C(=O)CN BC201177 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.5 COc1ccc(cn1)C(=O)OC BC213243 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.12 CCN(CC)c1ccc(cc1)N BC631691 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl BC250104 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.20 CN(C)C(=O)c1ccc(cc1)N BC675987 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Cl BC210297 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.367 COC(=O)c1ccc(c(c1)Br)I BC658830 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.367 COC(=O)c1ccc(c(c1)Br)O BC687332 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.367 COC(=O)c1ccc(c(c1)I)O BC687193 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl BC206643 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.367 COC(=O)c1ccc(c(c1)N)O BC681466 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.367 COC(=O)c1ccc(c(c1)O)N BC225285 [1,1,0,0,0,0|0,0,0]=2 122 B12R1.367 Cc1cc(ccc1O)C(=O)OC BC205258 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.367 Cc1ccc(cc1I)C(=O)OC BC687190 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.367 Cc1ccc(cc1O)C(=O)OC BC201412 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl BC677537 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O BC201244 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.1703 COC(=O)c1ccc(cc1N)Br BC676481 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.1703 COC(=O)c1ccc(cc1O)O BC649964 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl BC677895 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.1703 Cc1cc(ccc1C(=O)OC)N BC676769 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC BC204333 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC BC220828 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN BC201179 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr BC224376 [1,1,0,0,0,0|2,0,0]=4 135 B14R1.35 CCOC(=O)C(=O)c1ccc(cc1)Cl BC201163 [0,1,0,0,0,1|1,0,0]=3 136 B14R1.6823 CCOC(=O)Cc1ccc(cc1Cl)Cl BC201330 [0,1,0,0,0,1|1,0,0]=3 137 B14R1.19 CCCCOC(=O)c1ccc(cc1)N BC206116 [0,2,0,0,0,0|0,0,0]=2 138 B14R1.125 Cc1ccc(cc1)S(=O)(=O)OCCF BC210597 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.941 CCCCC(=O)c1ccc(c(c1)Cl)Cl BC217143 [0,2,0,0,0,0|2,0,0]=4 140 B14R1.694 Cc1ccc(cc1)S(=O)(=O)OC(C)C BC209404 [0,2,0,0,0,0|2,0,0]=4 141 B14R1.2 CC(C)NC(=O)c1ccc(cc1)C=O BC204016 [0,2,0,0,0,0|2,0,0]=4 142 B14R1.683 CC(C)(C)OC(=O)c1ccc(cc1)Br BC652490 [0,2,0,0,0,0|1,0,0]=3 143 B14R1.683 CC(C)(C)OC(=O)c1ccc(cc1)N BC222078 [0,2,0,0,0,0|0,0,0]=2 144 B14R1.6821 CCOC(=O)c1cc(c(c(c1)Br)N)Cl BC600281 [0,2,0,0,0,0|0,0,0]=2 145 B14R1.7264 CCOC(=O)c1cn(c(=O)cc1Cl)C BC216758 [0,2,0,0,0,0|2,0,0]=4 146 B12R2.24 c1cc2c(cc1N)CCNC2 BC677941 [1,0,0,1,0,0|1,0,1]=4 147 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 BC220805 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.1081 c1cc2c(nc1)CCCC2=O BC228644 [1,0,0,1,0,0|2,0,0]=4 149 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 BC208640 [1,0,0,1,0,0|2,0,0]=4 150 B12R2.1081 c1ccc2c(c1)CCNC2=O BC213850 [1,0,0,1,0,0|1,0,0]=3 151 B12R2.1081 c1cncc2c1C(=O)CCC2 BC679513 [1,0,0,1,0,0|2,0,0]=4 152 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br BC220361 [1,0,0,1,0,0|1,0,0]=3 153 B12R2.2028 c1ccc2c(c1)C(OC2=O)Cl BC222347 [1,0,0,1,0,0|1,0,0]=3 154 B12R2.612 Cc1ccc2c(c1)CCC2=O BC218986 [1,0,0,1,0,0|1,0,0]=3 155 B12R2.612 c1cc2c(cc1Br)CCC2=O BC210245 [1,0,0,1,0,0|1,0,0]=3 156 B12R2.612 c1cc2c(cc1Br)OCC2=O BC649882 [1,0,0,1,0,0|2,0,0]=4 157 B12R2.612 c1cc2c(cc1Cl)CCC2=O BC200429 [1,0,0,1,0,0|1,0,0]=3 158 B12R2.612 c1cc2c(cc1Cl)OCC2=O BC681113 [1,0,0,1,0,0|2,0,0]=4 159 B12R2.612 c1cc2c(cc1F)CCC2=O BC202173 [1,0,0,1,0,0|1,0,0]=3 160 B12R2.612 c1cc2c(cc1N)CCC2=O BC219807 [1,0,0,1,0,0|0,0,0]=2 161 B12R2.612 c1cc2c(cc1O)CCC2=O BC200684 [1,0,0,1,0,0|1,0,0]=3 162 B14R2.1801 COc1ccc2c(c1)CCCC2=O BC677962 [0,1,0,1,0,0|2,0,0]=4 163 B14R2.1801 COc1ccc2c(c1)CCNC2=O BC211927 [0,1,0,1,0,0|2,0,0]=4 164 B14R2.1801 COc1ccc2c(c1)CCOC2=O BC217285 [0,1,0,1,0,0|1,0,0]=3 165 B10R1.11 CCOC(=O)c1[nH]ccn1 BC220095 [1,0,0,0,1,0|2,0,0]=4 166 B10R1.11 CCOC(=O)c1c[nH]nc1 BC686554 [1,0,0,0,1,0|2,0,0]=4 167 B10R1.11 CCOC(=O)c1ccc[nH]1 BC210795 [1,0,0,0,1,0|1,0,0]=3 168 B10R1.11 CCOC(=O)c1cccs1 BC213230 [1,0,0,0,1,0|1,0,0]=3 169 B10R1.14 COC(=O)c1cc(cs1)N BC672043 [1,0,0,0,1,0|1,0,0]=3 170 B10R1.14 COC(=O)c1ccc(s1)N BC645938 [1,0,0,0,1,0|1,0,0]=3 171 B10R1.14 COC(=O)c1cnc(s1)N BC684872 [1,0,0,0,1,0|2,0,0]=4 172 B10R1.14 COC(=O)c1csc(n1)N BC216589 [1,0,0,0,1,0|2,0,0]=4 173 B12R1.32 CCOC(=O)Cc1ccccn1 BC225240 [1,0,0,0,0,1|1,0,0]=3