0 B11R1.12 COC(c1ccccc1)OC BC214177 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.15 COC(=O)c1ccncc1 BC205546 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.15 COC(=O)c1cnccn1 BC205804 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.15 COC(=O)c1ncccn1 BC228090 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.15 c1ccnc(c1)C(=O)CBr BC684167 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.15 c1cnccc1C(=O)CBr BC677150 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.15 c1cnccc1C(=O)NN BC204682 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.13 c1cc(cc(c1)Cl)C(C=O)C=O BC685768 [0,1,0,0,0,0|1,0,1]=3 10 B12R2.1 CCn1ccc2c1cccc2 BC671191 [0,0,0,1,0,0|2,0,1]=4 11 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O BC220141 [0,0,0,1,0,0|1,0,0]=2 12 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO BC226969 [0,0,0,1,0,0|1,0,2]=4 13 B12R2.1 c1ccc2c(c1)c(cs2)C=O BC220800 [0,0,0,1,0,0|1,0,0]=2 14 B12R2.1 c1ccc2c(c1)c(cs2)CN BC682052 [0,0,0,1,0,0|1,1,1]=4 15 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O BC205422 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.2 c1ccc(cc1)c2c[nH]cn2 BC220037 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.2 c1ccc(cc1)c2ccco2 BC214498 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.6 CC(=O)c1ccccc1 BC206207 [2,0,0,0,0,0|0,0,0]=2 19 B9R1.6 CC(=O)c1cccnc1 BC207736 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.6 CC(=O)c1ccncc1 BC204635 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.6 CC(=O)c1cncnc1 BC653324 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.6 CN(c1ccccc1)N BC677890 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.6 C[C@H](c1ccccc1)N BC226220 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.6 c1cc(cnc1)C(=O)Cl BC650712 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.6 c1cc(cnc1)C(=O)[O-] BC220349 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.8 c1ccc(cc1)CC=O BC250050 [2,0,0,0,0,0|0,0,1]=3 31 B11R1.16 CCOC(=O)c1cccnc1 BC226788 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.16 COCC(=O)c1ccccc1 BC644213 [1,1,0,0,0,0|0,0,1]=3 33 B11R1.16 c1ccc(cc1)C(=O)CCBr BC675527 [1,1,0,0,0,0|0,0,1]=3 34 B11R1.16 c1ccc(cc1)C(=O)N=C=S BC685804 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [1,1,0,0,0,0|0,0,1]=3 36 B11R1.22 CCC(=O)c1ccc(cc1)N BC210208 [1,1,0,0,0,0|0,0,1]=3 37 B11R1.22 CCC(=O)c1ccc(cc1)O BC227841 [1,1,0,0,0,0|0,0,1]=3 38 B11R1.22 CNC(=O)c1ccc(cc1)Br BC290335 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.22 COC(=O)c1ccc(cc1)Br BC215377 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.22 COC(=O)c1ccc(cc1)I BC213654 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.22 COC(=O)c1ccc(cc1)[O-] BC209217 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.22 COC(=O)c1ccc(cn1)Br BC219158 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.22 COC(=O)c1ccc(cn1)O BC224006 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.22 COC(=O)c1ccc(nc1)Br BC219205 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.22 COC(=O)c1ccc(nc1)Cl BC219222 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.22 COC(=O)c1ccc(nc1)F BC219217 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.22 COC(=O)c1ccc(nc1)N BC227076 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.22 Cc1ccc(cc1)C(=O)CN BC201176 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.22 Cc1ccc(cn1)C(=O)OC BC207925 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.22 c1cc(ccc1C(=O)CBr)N BC652867 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.22 c1cc(ccc1C(=O)CBr)O BC685303 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.22 c1cc(ccc1C(=O)CN)Br BC201169 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.22 c1cc(ccc1C(=O)CN)Br BC253950 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.22 c1cc(ccc1C(=O)CN)Cl BC201170 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.22 c1cc(ccc1C(=O)CN)F BC201168 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.22 c1cc(ccc1C(=O)CN)F BC201440 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.23 CCC(=O)c1cccc(c1)Cl BC226916 [1,1,0,0,0,0|0,0,1]=3 59 B11R1.23 CCC(=O)c1cccc(c1)N BC210207 [1,1,0,0,0,0|0,0,1]=3 60 B11R1.23 CCC(=O)c1cccc(c1)O BC210632 [1,1,0,0,0,0|0,0,1]=3 61 B11R1.23 COC(=O)c1cc(ccn1)N BC208664 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.23 COC(=O)c1cc(cnc1)Br BC207471 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.23 COC(=O)c1cccc(c1)O BC220614 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.23 COC(=O)c1cccc(n1)Br BC207501 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.23 COC(=O)c1cccc(n1)Cl BC226662 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.23 COC(=O)c1ccnc(c1)N BC201210 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.23 Cc1cccc(c1)C(=O)OC BC219811 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl BC219638 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.36 C=C(c1ccccc1)C(=O)O BC653116 [1,1,0,0,0,0|0,0,0]=2 70 B11R1.36 CC(C(=O)c1ccccc1)Cl BC210300 [1,1,0,0,0,0|0,0,1]=3 71 B11R1.36 CC(C)C(=O)c1ccccc1 BC213596 [1,1,0,0,0,0|0,0,1]=3 72 B11R1.36 c1ccc(cc1)C(=O)C(=O)O BC215722 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.36 c1ccc(cc1)C(C(=O)N)N BC216078 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC204233 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC250758 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N BC675296 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O BC677633 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.222 COC(=O)c1c(cccn1)Br BC273693 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.222 COC(=O)c1c(cccn1)O BC224094 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.222 COC(=O)c1cccnc1F BC219216 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.222 COC(=O)c1cnccc1O BC224041 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.222 Cc1c(cccn1)C(=O)OC BC225552 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.222 c1ccc(c(c1)C(=O)CN)Br BC201182 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl BC201181 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.222 c1ccc(c(c1)C(=O)CN)F BC201180 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl BC225151 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.39 COc1ccc(cc1)C(C=O)C=O BC651644 [0,2,0,0,0,0|1,0,1]=4 88 B11R2.1 CC1=CCc2c1cccc2 BC600789 [1,0,0,1,0,0|0,0,1]=3 89 B11R2.1 CC1C=Cc2c1cccc2 BC600788 [1,0,0,1,0,0|1,0,1]=4 90 B11R2.1 c1ccc2c(c1)C=CC2=O BC264695 [1,0,0,1,0,0|0,0,1]=3 91 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [1,0,0,1,0,0|0,0,1]=3 92 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 BC210059 [1,0,0,1,0,0|2,0,0]=4 93 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br BC220142 [1,0,0,1,0,0|2,0,0]=4 94 B11R2.1 c1ccc2c(c1)c(c[nH]2)Cl BC678897 [1,0,0,1,0,0|2,0,0]=4 95 B11R2.1 c1ccc2c(c1)c(c[nH]2)O BC676558 [1,0,0,1,0,0|1,0,1]=4 96 B13R2.45 CCC1Cc2ccccc2C1=O BC676450 [0,0,0,1,0,1|0,0,2]=4 97 B13R2.57 C=Cc1ccc2ccccc2c1 BC221101 [0,0,0,1,0,1|1,0,1]=4 98 B13R2.57 COc1ccc2ccccc2n1 BC262285 [0,0,0,1,0,1|2,0,0]=4 99 B13R2.57 c1cc2cc(ccc2nc1)C=O BC223299 [0,0,0,1,0,1|1,0,1]=4 100 B13R2.57 c1cc2ccc(cc2nc1)C=O BC228633 [0,0,0,1,0,1|1,0,1]=4 101 B13R2.57 c1ccc2c(c1)cc(cn2)C=O BC228631 [0,0,0,1,0,1|1,0,0]=3 102 B13R2.57 c1ccc2c(c1)ccc(n2)C=O BC228630 [0,0,0,1,0,1|0,0,1]=3 103 B13R2.57 c1ccc2cc(ccc2c1)C=O BC201281 [0,0,0,1,0,1|0,0,1]=3 104 B13R2.3 c1ccc(cc1)C2=CCNCC2 BC677233 [0,1,0,1,0,0|1,0,1]=4 105 B13R2.3 c1ccc(cc1)C2=CCNCC2 BC678253 [0,1,0,1,0,0|1,0,1]=4 106 B13R2.3 c1ccc(cc1)c2ccccn2 BC214884 [0,1,0,1,0,0|1,0,1]=4 107 B13R2.10 c1ccc(cc1)C2=CC(=O)CC2 BC600255 [0,1,0,1,0,0|0,0,1]=3 108 B13R2.10 c1ccc(cc1)c2csc(n2)Br BC683703 [0,1,0,1,0,0|1,1,0]=4 109 B13R2.1613 COc1ccnc2c1cccc2 BC222673 [0,1,0,1,0,0|2,0,0]=4 110 B13R2.1613 c1cc2cccnc2c(c1)C=O BC228634 [0,1,0,1,0,0|1,0,1]=4 111 B13R2.1613 c1ccc2c(c1)c(ccn2)C=O BC220693 [0,1,0,1,0,0|0,0,1]=3 112 B13R2.1613 c1ccc2c(c1)cncc2C=O BC679504 [0,1,0,1,0,0|0,0,1]=3 113 B13R2.662 c1cc2c(cc1Br)[nH]cc2C=O BC213338 [0,1,0,1,0,0|1,0,0]=3 114 B13R2.662 c1cc2c(cc1Cl)[nH]cc2C=O BC213339 [0,1,0,1,0,0|1,0,0]=3 115 B13R2.2136 c1c2c(c[nH]c2cnc1Cl)C=O BC263972 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.2136 c1cc(nc2c1[nH]cc2C=O)O BC232370 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.2136 c1cc2c(cc1Cl)c(n[nH]2)C=O BC208487 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.2136 c1cc2c(cc1F)c(n[nH]2)C=O BC208486 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.135 c1ccc2c(c1)c(c([nH]2)Cl)C=O BC214094 [0,1,0,1,0,0|1,0,0]=3 120 B13R2.2091 c1cc2c(c(c1)Cl)c(c[nH]2)C=O BC213332 [0,1,0,1,0,0|1,0,0]=3 121 B13R2.72 CC(=O)c1c2ccccc2[nH]n1 BC649944 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 BC220886 [0,1,0,1,0,0|1,0,0]=3 123 B13R2.72 c1cc2c(c(c[nH]2)C(=O)O)nc1 BC681974 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O BC203227 [0,1,0,1,0,0|1,0,0]=3 125 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O BC222299 [0,1,0,1,0,0|1,0,0]=3 126 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O BC205473 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.72 c1ccn2c(c1)c(cn2)C(=O)O BC209415 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.439 c1ccc(cc1)C2(CC2)C(=O)O BC222442 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.11 COC(=O)c1ccco1 BC218745 [1,0,0,0,1,0|2,0,0]=4 130 B11R1.40 c1ccc(cc1)OC(=O)CBr BC200214 [1,0,0,0,0,1|1,0,1]=4