0 B10R1.18 CC(=O)Cc1ccccc1 16103 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 CC(=O)Cc1ccccc1 16444 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 C[C@@H](Cc1ccccc1)N 14204 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.18 C[C@@H](Cc1ccccc1)N 15650 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.18 c1ccc(cc1)CC(=O)O 18709 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 c1ccc(cc1)CCBr 20087 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 c1ccc(cc1)CCN 14206 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 16115 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.20 CC(=O)Nc1ccc(cc1)O 10024 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.20 CC(Cc1ccc(cc1)Br)N 9001850 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.20 CC(Cc1ccc(cc1)Cl)N 9001856 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.20 CC(Cc1ccc(cc1)F)N 11156 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.20 CC(Cc1ccc(cc1)I)N 9001853 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.20 CC(Cc1ccc(cc1)O)N 9001830 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.36 CC(C(=O)c1ccccc1)N 14138 [0,1,0,0,0,0|0,0,1]=2 15 B11R1.36 CC(C(=O)c1ccccc1)N 15654 [0,1,0,0,0,0|0,0,1]=2 16 B11R1.36 C[C@@H](C(=O)c1ccccc1)N 13869 [0,1,0,0,0,0|0,0,1]=2 17 B11R1.36 C[C@@H](C(=O)c1ccccc1)N 15655 [0,1,0,0,0,0|0,0,1]=2 18 B11R1.36 C[C@@H]([C@H](c1ccccc1)O)N 13868 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N 15975 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N 14212 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O 10007128 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.40 CC(CC1=CCC=CC1)NC 90001067 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.40 CCC(Cc1ccccc1)N 9001864 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.40 C[C@@H](Cc1ccccc1)NC 13997 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.40 C[C@H](Cc1ccccc1)NC 13998 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.86 CC(Cc1ccccc1Br)N 9001848 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.86 CC(Cc1ccccc1Cl)N 9001854 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.86 CC(Cc1ccccc1F)N 11419 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.86 CC(Cc1ccccc1I)N 9001851 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.157 CC(Cc1cccc(c1)Br)N 9001849 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.157 CC(Cc1cccc(c1)Cl)N 9001855 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.157 CC(Cc1cccc(c1)F)N 9001191 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.157 CC(Cc1cccc(c1)I)N 9001852 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.509 CC(C)(Cc1ccccc1)N 14207 [0,1,0,0,0,0|0,0,0]=1 35 B11R1.509 c1ccc(cc1)CS(=O)(=O)F 14333 [0,1,0,0,0,0|3,0,0]=4 36 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N 10010494 [0,0,0,1,0,0|0,0,0]=1 37 B11R2.10 c1ccc2c(c1)CC(C2)N 11048 [0,0,0,1,0,0|0,0,0]=1 38 B9R1.6 c1cc(cnc1)C(=O)N 11127 [0,0,0,0,1,0|2,0,1]=4 39 B9R1.6 c1ccc(cc1)C(=N)N 20651 [0,0,0,0,1,0|1,0,1]=3 40 B9R1.6 c1ccnc(c1)C(=S)N 13043 [0,0,0,0,1,0|2,0,1]=4 41 B9R1.6 c1cnccc1C(=S)N 13056 [0,0,0,0,1,0|2,0,1]=4 42 B9R1.13 CC(Cc1cccs1)N 9002037 [0,0,0,0,1,0|1,0,0]=2 43 B11R1.91 CC(=N)NCc1ccccc1 13570 [0,0,0,0,0,1|0,0,2]=3 44 B8R1.2 c1ccc(cc1)N=O 21009 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 c1cnc(nc1)CN 10007106 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 c1cncnc1CN 10007124 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.1 c1cc(ccc1CCN)O 18601 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.15 CC(CN)c1ccccc1 17742 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.15 c1ccc(cc1)[C@H](CO)N 10007132 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.13 Cc1ccc(cc1)C(=S)N 13229 [0,1,0,0,1,0|1,0,1]=4 51 B10R1.13 c1cc(ccc1C(=S)N)N 11063 [0,1,0,0,1,0|1,0,1]=4 52 B10R1.113 Cc1cccc(c1)C(=S)N 13228 [0,1,0,0,1,0|1,0,1]=4 53 B10R1.113 c1cc(cc(c1)N)C(=O)N 10397 [0,1,0,0,1,0|1,0,1]=4 54 B10R1.113 c1cc(cc(c1)N)C(=S)N 11064 [0,1,0,0,1,0|1,0,1]=4 55 B10R1.27 CC(Cc1cccs1)NC 11161 [0,1,0,0,1,0|1,0,0]=3 56 B10R1.27 CC(Cc1ccsc1)NC 9001980 [0,1,0,0,1,0|1,0,0]=3 57 B10R1.27 c1c(nc[nH]1)C[C@@H](CO)N 18739 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.21 CN(C)CCc1ccc(cc1)O 21626 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.43 CC(Cc1ccccc1)N(C)C 11556 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.43 CC(Cc1ccccc1)N(C)C 15659 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.226 c1cc(cc(c1)I)CNC(=N)N 19998 [0,1,0,0,0,1|1,0,1]=4 62 B12R1.226 c1cc(cc(c1)I)CNC(=N)N 19998 [0,1,0,0,0,1|1,0,1]=4 63 B12R1.4 CC(Cc1ccc(cc1)OC)N 12041 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.4 CC(Cc1ccc(cc1)OC)N 15691 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.4 CC(Cc1ccc(cc1)SC)N 11555 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.4 CC(Cc1ccc(cc1)SC)N 11862 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 19522 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 19522 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.20 CC(=O)C(c1ccc(cc1)F)N 9001146 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.20 Cc1ccc(cc1)C(=O)C(C)N 9000940 [0,2,0,0,0,0|0,0,1]=3 71 B12R1.49 CC(Cc1ccc(cc1)Cl)NC 9002185 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.49 CC(Cc1ccc(cc1)F)NC 9001070 [0,2,0,0,0,0|0,0,0]=2 73 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 13893 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.49 Cc1ccc(cc1)CC(C)NC 9001345 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.106 CC(C)(Cc1ccc(cc1)F)N 9002780 [0,2,0,0,0,0|0,0,0]=2 76 B12R1.34 CC(C(=O)c1ccccc1)NC 11709 [0,2,0,0,0,0|0,0,1]=3 77 B12R1.34 CC(C(=O)c1ccccc1)NC 15656 [0,2,0,0,0,0|0,0,1]=3 78 B12R1.34 C[C@@H]([C@H](c1ccccc1)Cl)NC 9002347 [0,2,0,0,0,0|0,0,0]=2 79 B12R1.124 CC(=O)C(c1ccccc1F)N 11607 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.478 CC(=O)C(C#N)c1ccccc1 21105 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.32 CC(Cc1ccccc1)NC=O 18597 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.32 CCNC(C)Cc1ccccc1 11557 [0,2,0,0,0,0|0,0,0]=2 83 B12R1.32 CCNC(C)Cc1ccccc1 15658 [0,2,0,0,0,0|0,0,0]=2 84 B12R1.32 CN(CC#C)Cc1ccccc1 10007852 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.50 CC(Cc1cccc(c1)F)NC 9001185 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.118 CCC(Cc1ccccc1)NC 15961 [0,2,0,0,0,0|0,0,0]=2 87 B12R1.371 CC(Cc1ccccc1F)NC 11420 [0,2,0,0,0,0|0,0,0]=2 88 B12R1.75 CC(Cc1ccccc1OC)N 9001915 [0,2,0,0,0,0|0,0,0]=2 89 B12R1.438 CC(Cc1cccc(c1)OC)N 9001916 [0,2,0,0,0,0|0,0,0]=2 90 B12R2.606 c1cc2c(cc1I)CC(C2)N 11035 [0,1,0,1,0,0|0,0,0]=2 91 B12R2.32 CNC1Cc2ccccc2C1 14897 [0,1,0,1,0,0|0,0,0]=2