0 B8R1.8 NCCC1=CSC=N1 T29422 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.8 NCCc1c[nH]cn1 T0965 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.8 NCCc1c[nH]cn1 T6535 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 NCCc1cc[nH]n1 T8599 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 NCCc1cnc[nH]1 T6534 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.1 COc1ccoc1 TN2959 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.7 Cn1cnc(CCN)c1 T13487 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.7 Cn1cnc(CCN)c1 T8790 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.12 CNCCc1c[nH]cn1 T23038 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 T24698 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 T12630 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.33 CC1=C(CCCl)SC=N1 T10796 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.33 Cc1[nH]cnc1CCN T50049 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.33 Cc1ncsc1CCCl T14983 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.33 Cn1cncc1CCN T4940 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.8 CCOc1ccccc1 T19753 [0,0,0,0,0,1|3,0,0]=4 16 B9R1.8 CNCc1ccccc1 T8016 [0,0,0,0,0,1|3,0,0]=4 17 B9R1.8 NCCc1ccccc1 T2935 [0,0,0,0,0,1|1,0,0]=2 18 B9R1.8 NCCc1ccccc1 T7433 [0,0,0,0,0,1|1,0,0]=2 19 B9R1.8 NCCc1ccccn1 T22501 [0,0,0,0,0,1|1,0,0]=2 20 B9R1.8 O=CCc1ccccc1 TCS1857 [0,0,0,0,0,1|2,0,1]=4 21 B9R1.8 OCCc1ccccc1 T0011 [0,0,0,0,0,1|2,0,0]=3 22 B9R1.8 OCCc1ccccn1 T0658 [0,0,0,0,0,1|2,0,0]=3 23 B6R0.6 CCC/C=C/C=O T8099 [1,0,1,0,0,0|0,1,1]=4 24 B6R1.2 C[c-]1cccc1 T20558 [2,0,0,0,0,0|1,0,1]=4 25 B6R1.2 Nc1nccs1 T0495 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,1,0,0,0,0|1,0,1]=4 27 B8R1.1 NCc1cc(=O)[nH]o1 T20657 [1,1,0,0,0,0|1,1,0]=4 28 B8R1.1 NCc1cc(=O)[nH]s1 T28965 [1,1,0,0,0,0|1,0,0]=3 29 B8R1.7 CC(=O)c1cccs1 T29331 [1,1,0,0,0,0|0,0,1]=3 30 B8R1.7 CC(=O)c1nccs1 T8042 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,1,0,0,0,1|1,0,0]=3 32 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,1,0,0,0,1|1,0,0]=3 33 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,1|2,0,0]=4 34 B10R1.1 c1cc(ccc1CCN)O T3095 [0,1,0,0,0,1|1,0,0]=3 35 B10R1.10 NCCc1cccc(O)c1 T11937 [0,1,0,0,0,1|1,0,0]=3 36 B10R1.10 NCCc1cccc(O)c1 T11937L [0,1,0,0,0,1|1,0,0]=3 37 B10R1.10 NNCc1cccc(O)c1 T29406 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.15 CC(NN)c1ccccc1 T33268 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.15 NCC(O)c1ccccc1 T4873 [0,1,0,0,0,1|1,0,0]=3 40 B10R1.15 OCC(O)c1ccccc1 T1346 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.17 CCOCc1ccccc1 T36790 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.17 CNCCc1ccccn1 T0246 [0,1,0,0,0,1|1,0,0]=3 43 B10R1.17 CNCCc1ccccn1 T0246L [0,1,0,0,0,1|1,0,0]=3 44 B10R1.17 CNCCc1ccccn1 T4195 [0,1,0,0,0,1|1,0,0]=3 45 B10R1.17 NNCCc1ccccc1 T12441 [0,1,0,0,0,1|1,0,0]=3 46 B10R1.17 NNCCc1ccccc1 T50010 [0,1,0,0,0,1|1,0,0]=3 47 B10R1.17 O=CCCc1ccccc1 T20312 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.17 OCCCc1ccccc1 T3754 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.17 OCCOc1ccccc1 T20293 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,1,0,0,0,1|1,0,0]=3 51 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,1,0,0,0,1|1,0,0]=3 52 B10R1.130 Cc1nc(N)sc1CCN T22570 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.130 Cc1nc(N)sc1CCN T50112 [0,2,0,0,0,0|1,0,0]=3 54 B10R1.11 CCCC(=O)c1cccs1 T20377 [0,2,0,0,0,0|1,0,0]=3 55 B10R1.21 CCCCCc1ccco1 TCS0324 [0,2,0,0,0,0|1,1,0]=4 56 B10R1.27 N[C@H](CO)Cc1c[nH]cn1 T4899 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.66 NC(=N)SCc1cccs1 T34911 [0,2,0,0,0,0|0,0,1]=3 58 B10R1.66 OC(=O)CCc1ccc[nH]1 T21185 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.187 NCCN1C(=O)C=CC1=O T15972 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.2 NCc1ccccc1 TN3497 [0,0,1,1,0,0|1,0,1]=4 61 B8R1.2 NCc1cccnc1 T1581 [0,0,1,1,0,0|1,0,1]=4 62 B10R2.7 C1Cc2ccccc2O1 Fr14127 [0,0,0,1,0,1|2,0,0]=4