0 B10R1.15 CC(CN)c1ccccc1 17742 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 c1ccc(cc1)\C(=N\O)\N 13230 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 c1cnccc1C(=O)NN 20378 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 c1cc(cnc1)C(=O)N 11127 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 c1ccc(cc1)C(=N)N 20651 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.6 c1ccnc(c1)C(=S)N 13043 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 c1cnccc1C(=S)N 13056 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 c1ccc(cc1)CCBr 20087 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 c1ccc(cc1)CCN 14206 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.12 CCC(c1ccccc1)NC 21630 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.12 CCN(c1ccccc1)N=O 21063 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.16 CC(CNC)c1ccccc1 18563 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.22 c1cc(ccc1C(=O)CBr)O 19766 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.22 c1cc(ccc1C(=O)NN)N 14845 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.22 c1cc(ccc1C(CN)O)O 14279 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.36 CC(C(=O)c1ccccc1)N 14138 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.36 CC(C(=O)c1ccccc1)N 15654 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.36 C[C@@H](C(=O)c1ccccc1)N 13869 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.36 C[C@@H](C(=O)c1ccccc1)N 15655 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.36 C[C@@H]([C@H](c1ccccc1)O)N 13868 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N 15975 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N 14212 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O 10007128 [0,1,0,0,0,0|2,0,1]=4 24 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N 10010494 [0,0,0,1,0,0|0,0,0]=1 25 B11R1.40 CCC(Cc1ccccc1)N 9001864 [0,0,0,0,0,1|2,0,0]=3 26 B11R1.40 C[C@@H](Cc1ccccc1)NC 13997 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.40 C[C@H](Cc1ccccc1)NC 13998 [0,0,0,0,0,1|2,0,0]=3 28 B8R1.2 c1ccc(cc1)N=O 21009 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 c1cnc(nc1)CN 10007106 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 c1cncnc1CN 10007124 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.13 Cc1ccc(cc1)C(=S)N 13229 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.13 c1cc(ccc1C(=S)N)N 11063 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.113 Cc1cccc(c1)C(=S)N 13228 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.113 c1cc(cc(c1)N)C(=O)N 10397 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.113 c1cc(cc(c1)N)C(=S)N 11064 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.1 c1cc(ccc1CCN)O 18601 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.18 CC(=O)Cc1ccccc1 16103 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.18 CC(=O)Cc1ccccc1 16444 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.18 C[C@@H](Cc1ccccc1)N 14204 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.18 C[C@@H](Cc1ccccc1)N 15650 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.18 c1ccc(cc1)CC(=O)O 18709 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.32 CC(Cc1ccccc1)NC=O 18597 [0,1,0,0,0,1|1,0,1]=4 43 B12R1.32 CCNC(C)Cc1ccccc1 11557 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.32 CCNC(C)Cc1ccccc1 15658 [0,1,0,0,0,1|1,0,0]=3 45 B12R1.32 CN(CC#C)Cc1ccccc1 10007852 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.34 CC(C(=O)c1ccccc1)NC 11709 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.34 CC(C(=O)c1ccccc1)NC 15656 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.34 C[C@@H]([C@H](c1ccccc1)Cl)NC 9002347 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.43 CC(Cc1ccccc1)N(C)C 11556 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.43 CC(Cc1ccccc1)N(C)C 15659 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.49 CC(Cc1ccc(cc1)Cl)NC 9002185 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.49 CC(Cc1ccc(cc1)F)NC 9001070 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 13893 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.49 Cc1ccc(cc1)CC(C)NC 9001345 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.50 CC(Cc1cccc(c1)F)NC 9001185 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.118 CCC(Cc1ccccc1)NC 15961 [0,1,0,0,0,1|1,0,0]=3 57 B12R1.371 CC(Cc1ccccc1F)NC 11420 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.10 CC[N+](C)(C)c1cccc(c1)O 15928 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.478 CC(=O)C(C#N)c1ccccc1 21105 [0,2,0,0,0,0|0,0,2]=4 60 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 17205 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 18619 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.20 Cc1ccc(cc1)C(=O)C(C)N 9000940 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O 16673 [0,2,0,0,0,0|1,0,0]=3 64 B12R2.32 CNC1Cc2ccccc2C1 14897 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO 11325 [0,1,0,1,0,0|0,0,2]=4