0 B10R1.17 CNCCc1ccccn1 BC218953 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.17 c1ccc(cc1)NCC#N BC219610 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.17 c1ccc(cc1)OCCBr BC209483 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.17 c1ccc(cc1)OCCO BC208517 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.17 c1cnccc1CCCO BC222234 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.18 CC(C)Nc1ccccc1 BC208321 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.32 CN(CC#C)Cc1ccccc1 BC214776 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.32 CN(CCN)Cc1ccccc1 BC635280 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.34 CC([C@@H](c1ccccc1)O)NC BC216227 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.34 CN(C(=O)c1ccccc1)OC BC210651 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)N)O BC200170 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.34 c1ccc(cc1)[C@H]([C@@H](CO)N)O BC652581 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 c1ccc(cc1)CC(C(=O)O)O BC224313 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl BC636160 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.49 COC(=O)Cc1ccc(cc1)Br BC207826 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.49 COC(=O)Cc1ccc(cc1)O BC207602 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.18 CC1Cc2ccccc2N1C BC220721 [0,0,0,1,0,0|0,0,0]=1 18 B12R2.18 CN1c2ccccc2CC1=O BC207649 [0,0,0,1,0,0|1,0,1]=3 19 B12R2.18 c1ccc2c(c1)CC(C2=O)Br BC218981 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.18 c1ccc2c(c1)CC(C2O)Br BC676562 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O BC207012 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O BC679640 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.24 c1ccc2c(c1)CCC(C2)N BC280642 [0,0,0,1,0,0|2,0,0]=3 24 B12R2.24 c1ccc2c(c1)CCC(C2)N BC677882 [0,0,0,1,0,0|2,0,0]=3 25 B12R2.24 c1ccc2c(c1)CC[C@H](C2)N BC201483 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.15 C#CC(c1ccccc1)O BC218343 [0,0,0,0,1,0|2,0,1]=4 27 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [0,0,0,0,1,0|2,0,0]=3 28 B10R1.15 c1ccc(cc1)C(C#N)Br BC620262 [0,0,0,0,1,0|3,0,0]=4 29 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.8 c1cc(cnc1)CCN BC226643 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.8 c1ccc(cc1)CC=O BC250050 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.8 c1ccc(cc1)CCBr BC203736 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 c1ccc(cc1)CCO BC213746 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 c1ccc(cc1)CNN BC652179 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 c1ccc(cc1)CNN BC676720 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 c1ccnc(c1)CCBr BC216605 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 c1cnccc1CCBr BC683652 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.8 c1cnccc1CCO BC201212 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.1 c1cc(ccc1CCCBr)Cl BC681641 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.1 c1cc(ccc1CCCO)Br BC653959 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.16 COCC(=O)c1ccccc1 BC644213 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O BC681135 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.16 c1ccc(cc1)[C@H](CCCl)O BC201664 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.16 c1ccc(cc1)[C@H](CCO)N BC202108 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.28 c1ccc(cc1)CNCCO BC201328 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.28 c1ccc(cc1)COCC=O BC269066 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.28 c1cnccc1CCCCCl BC261689 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.28 c1cnccc1CCCCO BC644122 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.91 CC(CCc1ccccc1)N BC653661 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.20 CC(=O)Cc1ccc(cc1)O BC211152 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.20 CC(C)Cc1ccc(cc1)Br BC214997 [1,1,0,0,0,0|0,0,0]=2 53 B11R1.36 CC(C(=O)c1ccccc1)Cl BC210300 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.36 CC(C)C(=O)c1ccccc1 BC213596 [1,1,0,0,0,0|0,0,1]=3 55 B11R1.36 CC(C)[C@@H](c1ccccc1)N BC687879 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.36 c1ccc(cc1)C(C(=O)N)N BC216078 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.86 CC(=O)Cc1ccccc1Br BC202120 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.509 CC(C)(Cc1ccccc1)O BC677508 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.509 C[N+](C)(C)Cc1ccccc1 BC216106 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.509 C[Si](C)(C)Cc1ccccn1 BC214141 [1,1,0,0,0,0|1,1,0]=4 61 B11R1.12 COC(c1ccccc1)OC BC214177 [0,1,0,0,1,0|1,0,0]=3 62 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.22 CNC(=O)c1ccc(cc1)Br BC290335 [0,1,0,0,1,0|1,0,1]=4 64 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.152 CC(C(=O)C)C(=O)c1ccccc1 BC221441 [0,2,0,0,0,0|1,0,1]=4 66 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)N BC218676 [0,2,0,0,0,0|2,0,0]=4 67 B13R1.91 CC(Cc1ccccc1OC)NC BC209855 [0,2,0,0,0,0|0,0,0]=2 68 B11R2.1 CC1=CCc2c1cccc2 BC600789 [1,0,0,1,0,0|1,0,1]=4 69 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [1,0,0,1,0,0|2,0,0]=4 70 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [1,0,0,1,0,0|2,0,0]=4 71 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [1,0,0,1,0,0|2,0,0]=4 72 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [1,0,0,1,0,0|2,0,0]=4 73 B11R2.20 c1c2c(ncn1)CCNC2 BC682213 [1,0,0,1,0,0|2,0,0]=4 74 B11R2.20 c1c2c(ncn1)CNCC2 BC682259 [1,0,0,1,0,0|2,0,0]=4 75 B11R2.20 c1cc2c(nc1)CCCC2 BC207983 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.20 c1cncc2c1CCCC2 BC682234 [1,0,0,1,0,0|2,0,0]=4 77 B11R2.10 Cc1cc2ccccc2[nH]1 BC200996 [1,0,0,1,0,0|0,0,2]=4 78 B11R2.10 c1ccc2c(c1)CC(=O)C2 BC214987 [1,0,0,1,0,0|1,0,1]=4 79 B11R2.10 c1ccc2c(c1)CC(C2)N BC214992 [1,0,0,1,0,0|0,0,0]=2 80 B11R2.10 c1ccc2c(c1)CC(C2)N BC645558 [1,0,0,1,0,0|0,0,0]=2 81 B11R2.10 c1ccc2c(c1)CC(C2)O BC214988 [1,0,0,1,0,0|1,0,0]=3 82 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 BC225335 [0,0,0,1,0,1|1,0,1]=4 83 B13R2.31 c1ccc(cc1)CN2CC(C2)O BC678840 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.135 CCn1c(cc2c1cccc2)C BC687646 [0,1,0,1,0,0|0,0,2]=4 85 B13R2.45 CCC1Cc2ccccc2C1=O BC676450 [0,1,0,1,0,0|1,0,1]=4 86 B13R2.45 Cn1c2ccccc2nc1CCl BC650881 [0,1,0,1,0,0|1,0,1]=4 87 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O BC685119 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.3028 CC1Cc2ccc(cc2C1=O)Br BC652361 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.3683 CC1Cc2ccc(cc2CN1)Br BC682268 [0,1,0,1,0,0|0,0,0]=2 90 B13R2.222 CC1(CCc2ccccc2N1)C BC677005 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.162 c1cc2c(c(c1)N)CC(CC2)O BC684702 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.4825 CC1Cc2c(cccc2Cl)C1=O BC652358 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.6 CC(=O)c1ccccc1 BC206207 [1,0,0,0,1,0|1,0,1]=4 94 B9R1.6 CN(C)c1ccncc1 BC206167 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.6 CN(c1ccccc1)N BC677890 [1,0,0,0,1,0|1,0,0]=3 96 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [1,0,0,0,1,0|0,0,0]=2 97 B9R1.6 C[C@H](c1ccccc1)N BC226220 [1,0,0,0,1,0|0,0,0]=2 98 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [1,0,0,0,1,0|1,0,1]=4