0 B12R1.34 CC(C(=O)c1ccccc1)NC 11709 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.34 CC(C(=O)c1ccccc1)NC 15656 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.34 C[C@@H]([C@H](c1ccccc1)Cl)NC 9002347 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.16 CC(CNC)c1ccccc1 18563 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.36 CC(C(=O)c1ccccc1)N 14138 [1,0,0,0,0,0|0,0,2]=3 5 B11R1.36 CC(C(=O)c1ccccc1)N 15654 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.36 C[C@@H](C(=O)c1ccccc1)N 13869 [1,0,0,0,0,0|0,0,2]=3 7 B11R1.36 C[C@@H](C(=O)c1ccccc1)N 15655 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.36 C[C@@H]([C@H](c1ccccc1)O)N 13868 [1,0,0,0,0,0|0,0,0]=1 9 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N 15975 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N 14212 [1,0,0,0,0,0|0,0,0]=1 11 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O 10007128 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.40 CC(CC1=CCC=CC1)NC 90001067 [1,0,0,0,0,0|0,0,2]=3 13 B11R1.40 CCC(Cc1ccccc1)N 9001864 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.40 C[C@@H](Cc1ccccc1)NC 13997 [1,0,0,0,0,0|0,0,0]=1 15 B11R1.40 C[C@H](Cc1ccccc1)NC 13998 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.21 CC(C(=O)c1ccc(cc1)Br)NC 12089 [0,1,0,0,0,0|0,0,2]=3 17 B13R1.21 CC(C(=O)c1ccc(cc1)Cl)NC 16436 [0,1,0,0,0,0|0,0,2]=3 18 B13R1.21 CC(C(=O)c1ccc(cc1)F)NC 10859 [0,1,0,0,0,0|0,0,2]=3 19 B13R1.21 CC(C(=O)c1ccc(cc1)F)NC 16054 [0,1,0,0,0,0|0,0,2]=3 20 B13R1.21 C[C@@H]([C@@H](c1ccc(cc1)F)O)NC 14757 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.21 C[C@H]([C@@H](c1ccc(cc1)F)O)NC 9001433 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.21 Cc1ccc(cc1)C(=O)C(C)NC 10801 [0,1,0,0,0,0|0,0,2]=3 23 B13R1.21 Cc1ccc(cc1)C(=O)C(C)NC 15657 [0,1,0,0,0,0|0,0,2]=3 24 B13R1.21 Cc1ccc(cc1)[C@H]([C@@H](C)NC)O 9001434 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.21 Cc1ccc(cc1)[C@H]([C@H](C)NC)O 14756 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.22 CC(C(=O)c1cccc(c1)Br)NC 14035 [0,1,0,0,0,0|0,0,2]=3 27 B13R1.22 CC(C(=O)c1cccc(c1)Cl)NC 17394 [0,1,0,0,0,0|0,0,2]=3 28 B13R1.22 CC(C(=O)c1cccc(c1)F)NC 10730 [0,1,0,0,0,0|0,0,2]=3 29 B13R1.22 CC(C(=O)c1cccc(c1)F)NC 16055 [0,1,0,0,0,0|0,0,2]=3 30 B13R1.22 Cc1cccc(c1)C(=O)C(C)NC 11224 [0,1,0,0,0,0|0,0,2]=3 31 B13R1.47 CCNC(C)C(=O)c1ccccc1 11241 [0,1,0,0,0,0|0,0,2]=3 32 B13R1.86 CCC(C(=O)c1ccccc1)NC 11283 [0,1,0,0,0,0|0,0,2]=3 33 B13R1.86 CC[C@@H]([C@@H](c1ccccc1)O)NC 9001432 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.86 CC[C@H]([C@@H](c1ccccc1)O)NC 9001438 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 9001144 [0,1,0,0,0,0|0,0,2]=3 36 B13R1.696 CC(C(=O)c1ccccc1F)NC 9001135 [0,1,0,0,0,0|0,0,2]=3 37 B13R1.696 Cc1ccccc1C(=O)C(C)NC 11223 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.31 CC(C(=O)c1cccs1)NC 9002101 [0,0,0,0,1,0|1,0,2]=4 39 B10R1.15 CC(CN)c1ccccc1 17742 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.18 CC(=O)Cc1ccccc1 16103 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.18 CC(=O)Cc1ccccc1 16444 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.18 C[C@@H](Cc1ccccc1)N 14204 [2,0,0,0,0,0|0,0,0]=2 44 B10R1.18 C[C@@H](Cc1ccccc1)N 15650 [2,0,0,0,0,0|0,0,0]=2 45 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 17205 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 18619 [1,1,0,0,0,0|0,0,0]=2 47 B12R1.20 Cc1ccc(cc1)C(=O)C(C)N 9000940 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.32 CC(Cc1ccccc1)NC=O 18597 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.32 CCNC(C)Cc1ccccc1 11557 [1,1,0,0,0,0|0,0,0]=2 50 B12R1.32 CCNC(C)Cc1ccccc1 15658 [1,1,0,0,0,0|0,0,0]=2 51 B12R1.43 CC(Cc1ccccc1)N(C)C 11556 [1,1,0,0,0,0|0,0,0]=2 52 B12R1.43 CC(Cc1ccccc1)N(C)C 15659 [1,1,0,0,0,0|0,0,0]=2 53 B12R1.49 CC(Cc1ccc(cc1)Cl)NC 9002185 [1,1,0,0,0,0|0,0,0]=2 54 B12R1.49 CC(Cc1ccc(cc1)F)NC 9001070 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 13893 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.49 Cc1ccc(cc1)CC(C)NC 9001345 [1,1,0,0,0,0|0,0,0]=2 57 B12R1.50 CC(Cc1cccc(c1)F)NC 9001185 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.118 CCC(Cc1ccccc1)NC 15961 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.371 CC(Cc1ccccc1F)NC 11420 [1,1,0,0,0,0|0,0,0]=2 60 B14R1.7 CC(C(=O)c1ccc(cc1)OC)NC 10529 [0,2,0,0,0,0|0,0,2]=4 61 B14R1.7 CCc1ccc(cc1)C(=O)C(C)NC 9001078 [0,2,0,0,0,0|0,0,2]=4 62 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)Br 17395 [0,2,0,0,0,0|0,0,2]=4 63 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)C 16049 [0,2,0,0,0,0|0,0,2]=4 64 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)C 9001069 [0,2,0,0,0,0|0,0,2]=4 65 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)Cl 18912 [0,2,0,0,0,0|0,0,2]=4 66 B14R1.35 CCNC(C)C(=O)c1ccc(cc1)F 11231 [0,2,0,0,0,0|0,0,2]=4 67 B14R1.35 CCN[C@@H](C)[C@@H](c1ccc(cc1)C)O 14758 [0,2,0,0,0,0|0,0,0]=2 68 B14R1.35 CCN[C@H](C)[C@@H](c1ccc(cc1)C)O 9001436 [0,2,0,0,0,0|0,0,0]=2 69 B14R1.88 CCC(C(=O)c1ccc(cc1)C)NC 11486 [0,2,0,0,0,0|0,0,2]=4 70 B14R1.88 CCC(C(=O)c1ccc(cc1)F)NC 15165 [0,2,0,0,0,0|0,0,2]=4 71 B14R1.132 Cc1ccc(cc1)C(=O)C(C)N(C)C 17393 [0,2,0,0,0,0|0,0,2]=4 72 B14R1.1003 Cc1ccc(cc1C)C(=O)C(C)NC 9001098 [0,2,0,0,0,0|0,0,2]=4 73 B14R1.1003 Cc1ccc(cc1C)[C@H]([C@@H](C)NC)O 9001437 [0,2,0,0,0,0|0,0,0]=2 74 B14R1.1003 Cc1ccc(cc1C)[C@H]([C@H](C)NC)O 9001431 [0,2,0,0,0,0|0,0,0]=2 75 B14R1.2819 Cc1ccc(c(c1)C)C(=O)C(C)NC 11243 [0,2,0,0,0,0|0,0,2]=4 76 B14R1.18 Cc1cccc(c1C)C(=O)C(C)NC 11225 [0,2,0,0,0,0|0,0,2]=4 77 B14R1.36 CCNC(C)C(=O)c1cccc(c1)C 11222 [0,2,0,0,0,0|0,0,2]=4 78 B14R1.36 CCNC(C)C(=O)c1cccc(c1)Cl 21261 [0,2,0,0,0,0|0,0,2]=4 79 B14R1.36 CCNC(C)C(=O)c1cccc(c1)F 11230 [0,2,0,0,0,0|0,0,2]=4 80 B14R1.79 CC(C(=O)c1cccc(c1)OC)NC 9001187 [0,2,0,0,0,0|0,0,2]=4 81 B14R1.79 CCc1cccc(c1)C(=O)C(C)NC 9001082 [0,2,0,0,0,0|0,0,2]=4 82 B14R1.89 CCC(C(=O)c1cccc(c1)C)NC 12001 [0,2,0,0,0,0|0,0,2]=4 83 B14R1.478 CCC(C(=O)c1ccccc1)NCC 11665 [0,2,0,0,0,0|0,0,2]=4 84 B14R1.478 CCCC(C(=O)c1ccccc1)NC 11011 [0,2,0,0,0,0|0,0,2]=4 85 B14R1.478 CCCC(C(=O)c1ccccc1)NC 16052 [0,2,0,0,0,0|0,0,2]=4 86 B14R1.478 CCC[C@@H]([C@@H](c1ccccc1)O)NC 9001428 [0,2,0,0,0,0|0,0,0]=2 87 B14R1.478 CCC[C@H]([C@@H](c1ccccc1)O)NC 9001435 [0,2,0,0,0,0|0,0,0]=2 88 B14R1.3348 CCNC(C)C(=O)c1ccccc1C 11221 [0,2,0,0,0,0|0,0,2]=4 89 B14R1.3348 CCNC(C)C(=O)c1ccccc1F 11229 [0,2,0,0,0,0|0,0,2]=4 90 B14R1.95 CC(C(=O)c1ccccc1OC)NC 9001186 [0,2,0,0,0,0|0,0,2]=4 91 B14R1.95 CCc1ccccc1C(=O)C(C)NC 9001081 [0,2,0,0,0,0|0,0,2]=4 92 B12R2.32 CNC1Cc2ccccc2C1 14897 [1,0,0,1,0,0|0,0,0]=2 93 B14R2.786 CC1(C(O1)c2ccccc2)C(=O)O 19682 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.786 CC1(C(O1)c2ccccc2)C(=O)[O-] 19683 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.27 CC(Cc1cccs1)NC 11161 [1,0,0,0,1,0|1,0,0]=3 96 B10R1.27 CC(Cc1ccsc1)NC 9001980 [1,0,0,0,1,0|1,0,0]=3