0 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)c1nccs1 T8042 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.7 OC(=O)c1ccco1 T5544 [0,0,0,0,0,0|2,1,0]=3 6 B8R1.7 OC(=O)c1ccoc1 T5277 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 OC(=O)c1nc[nH]n1 T1371 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.11 COC(=O)c1ccco1 T8022 [0,1,0,0,0,0|1,1,0]=3 9 B9R1.19 CC(C)(C)c1cccs1 T29375 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.35 Cc1cc(n[nH]1)C(O)=O T7476 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.41 CC(=O)c1occc1O T32217 [0,1,0,0,0,0|1,1,0]=3 13 B9R1.41 NC(=O)c1nc[nH]c1N T1705 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,0,1,0,0,0|3,0,0]=4 15 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [0,0,1,0,0,0|3,0,0]=4 16 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,0,1|2,0,0]=3 17 B9R1.6 CC(=O)c1cnccn1 T5596 [0,0,0,0,0,1|1,0,0]=2 18 B9R1.6 NC(=O)c1ccccc1 T6780 [0,0,0,0,0,1|3,0,0]=4 19 B9R1.6 NC(=O)c1ccccn1 T6942 [0,0,0,0,0,1|2,0,0]=3 20 B9R1.6 NC(=O)c1cccnc1 T0934 [0,0,0,0,0,1|2,0,0]=3 21 B9R1.6 NC(=O)c1ccncc1 T0552 [0,0,0,0,0,1|3,0,0]=4 22 B9R1.6 NC(=O)c1cnccn1 T1426 [0,0,0,0,0,1|2,0,0]=3 23 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [0,0,0,0,0,1|2,0,0]=3 24 B9R1.6 OC(=O)c1ccccc1 T0833 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.6 OC(=O)c1ccccn1 T4850 [0,0,0,0,0,1|2,0,0]=3 26 B9R1.6 OC(=O)c1cccnc1 T0879 [0,0,0,0,0,1|2,0,0]=3 27 B9R1.6 OC(=O)c1ccncc1 Fr13756 [0,0,0,0,0,1|3,0,0]=4 28 B9R1.6 OC(=O)c1cnccn1 T0569 [0,0,0,0,0,1|2,0,0]=3 29 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [0,0,0,0,0,1|3,0,0]=4 30 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [0,0,0,0,0,1|2,0,0]=3 31 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [0,0,0,0,0,1|3,0,0]=4 32 B6R0.3 CC(=O)C(/C)=N/O T2176 [1,0,1,0,0,0|1,0,1]=4 33 B6R1.2 Nc1nccs1 T0495 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,1,0,0,0,0|1,1,0]=4 35 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,1,0,0,0,0|1,0,0]=3 36 B8R1.11 CSc1nccn1C T8612 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,1,0,0,0,1|1,0,0]=3 45 B10R1.15 COC(=O)c1cccnc1 T5562 [0,1,0,0,0,1|1,0,0]=3 46 B10R1.15 COC(c1ncccc1)=O T22220 [0,1,0,0,0,1|1,0,0]=3 47 B10R1.15 NNC(=O)c1ccccn1 T1374 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.61 CC(=O)c1ccccc1C T36788 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.61 NC(=O)c1nccnc1O T7785 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.61 OC(=O)c1ncccc1O T5986 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.61 OC(=O)c1ncccc1S T12929 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.54 OC(=O)Cc1nc(Cl)cs1 T4402 [0,1,0,0,0,1|1,0,0]=3 57 B10R1.11 CCCC(=O)c1cccs1 T20377 [0,2,0,0,0,0|1,0,0]=3 58 B8R1.2 COc1cnccn1 TN6755 [1,0,0,0,0,1|2,0,0]=4 59 B8R1.2 O=Cc1ccccc1 TWO2659 [1,0,0,0,0,1|2,0,0]=4 60 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [0,0,0,0,0,2|2,0,0]=4 61 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,2|2,0,0]=4 62 B10R1.18 OC(=O)Cc1cccnc1 T1366 [0,0,0,0,0,2|2,0,0]=4 63 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,0,2|1,1,0]=4