0 B7R1.1 COc1ccoc1 TN2959 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 C[c-]1cccc1 T20558 [1,0,0,0,0,0|1,0,2]=4 2 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,0,0|2,1,0]=4 3 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,1,0,0,0,0|0,0,0]=1 4 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,1,0,0,0,0|0,1,0]=2 5 B8R1.1 NCc1cc(=O)[nH]o1 T20657 [0,1,0,0,0,0|2,0,1]=4 6 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,1,0,0,0,0|1,0,1]=3 7 B8R1.7 CC(=O)c1cccs1 T29331 [0,1,0,0,0,0|0,1,0]=2 8 B8R1.7 CC(=O)c1nccs1 T8042 [0,1,0,0,0,0|1,1,0]=3 9 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.7 OC(=O)c1ccco1 T5544 [0,1,0,0,0,0|0,0,0]=1 12 B8R1.7 OC(=O)c1ccoc1 T5277 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.7 OC(=O)c1cnsc1 T4675 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.7 OC(=O)c1nc[nH]n1 T1371 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.6 CCC/C=C/C=O T8099 [0,0,1,0,0,0|1,0,2]=4 16 B8R1.2 COc1cnccn1 TN6755 [0,0,0,0,0,1|3,0,0]=4 17 B8R1.2 N#Cc1ncccn1 T7451 [0,0,0,0,0,1|2,0,1]=4 18 B8R1.2 NCc1ccccc1 TN3497 [0,0,0,0,0,1|2,0,1]=4 19 B8R1.2 NCc1cccnc1 T1581 [0,0,0,0,0,1|2,0,1]=4 20 B8R1.2 O=Cc1ccccc1 TWO2659 [0,0,0,0,0,1|1,0,0]=2 21 B8R1.2 OCc1ccccc1 T0732 [0,0,0,0,0,1|1,0,2]=4 22 B8R1.2 OCc1ccccn1 T1112 [0,0,0,0,0,1|1,0,2]=4 23 B8R1.2 OCc1cccnc1 T1299 [0,0,0,0,0,1|1,0,2]=4 24 B5R0.1 C/C=C/C(O)=O T5301 [1,0,1,0,0,0|0,0,1]=3 25 B5R0.1 ClC(Cl)=CC=C T31434 [1,0,1,0,0,0|2,0,0]=4 26 B5R0.1 [O-]C(=O)/C=C\Cl T29626 [1,0,1,0,0,0|1,0,1]=4 27 B5R0.3 C=CC(=O)C=C T31538 [1,0,1,0,0,0|1,0,0]=3 28 B5R1.1 C1CC=CO1 T0654 [2,0,0,0,0,0|0,0,2]=4 29 B5R1.1 c1cc[cH-]c1 T20786 [2,0,0,0,0,0|1,0,0]=3 30 B5R1.1 c1cn[nH]c1 T4842 [2,0,0,0,0,0|2,0,0]=4 31 B5R1.1 c1cnoc1 T7500 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,1,1,0,0,0|1,0,0]=3 33 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [0,1,1,0,0,0|1,0,0]=3 34 B7R1.2 C=C1OC(=O)C=C1 TN2420 [1,1,0,0,0,0|0,0,0]=2 35 B7R1.2 CC1=CCC(=O)O1 T7995 [1,1,0,0,0,0|0,0,1]=3 36 B7R1.2 Cc1cc(N)no1 T0644 [1,1,0,0,0,0|1,0,1]=4 37 B7R1.2 O=C1CCC(=O)O1 T18723 [1,1,0,0,0,0|0,0,2]=4 38 B7R1.2 O=C1NC(=O)C=C1 T4820 [1,1,0,0,0,0|1,0,0]=3 39 B7R1.4 C=C1CCOC1=O T5320 [1,1,0,0,0,0|0,0,2]=4 40 B7R1.4 Cn1sccc1=O T19774 [1,1,0,0,0,0|2,0,0]=4 41 B7R1.4 Cn1sccc1=O T28029 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.1 Oc1ccc(C=C)cc1 T13509 [0,1,0,0,0,1|2,0,0]=4 43 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [0,1,0,0,0,1|1,0,0]=3 44 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,1,0,0,0,1|2,0,0]=4 45 B9R1.2 Fc1cccc(C=O)c1 T21180 [0,1,0,0,0,1|1,0,0]=3 46 B9R1.2 Oc1cccc(C=O)c1 T4778 [0,1,0,0,0,1|1,0,0]=3 47 B9R1.6 CC(=O)c1ccccc1 T7446 [0,1,0,0,0,1|1,0,0]=3 48 B9R1.6 CC(=O)c1cnccn1 T5596 [0,1,0,0,0,1|1,0,0]=3 49 B9R1.6 NC(=N)c1ccccc1 T8362 [0,1,0,0,0,1|2,0,0]=4 50 B9R1.6 NC(=O)c1ccccc1 T6780 [0,1,0,0,0,1|1,0,0]=3 51 B9R1.6 NC(=O)c1ccccn1 T6942 [0,1,0,0,0,1|1,0,0]=3 52 B9R1.6 NC(=O)c1cccnc1 T0934 [0,1,0,0,0,1|1,0,0]=3 53 B9R1.6 NC(=O)c1ccncc1 T0552 [0,1,0,0,0,1|1,0,0]=3 54 B9R1.6 NC(=O)c1cnccn1 T1426 [0,1,0,0,0,1|1,0,0]=3 55 B9R1.6 NC(=S)c1ccncc1 T1365 [0,1,0,0,0,1|1,1,0]=4 56 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [0,1,0,0,0,1|1,0,0]=3 57 B9R1.6 OC(=O)c1ccccc1 T0833 [0,1,0,0,0,1|1,0,0]=3 58 B9R1.6 OC(=O)c1ccccn1 T4850 [0,1,0,0,0,1|1,0,0]=3 59 B9R1.6 OC(=O)c1cccnc1 T0879 [0,1,0,0,0,1|1,0,0]=3 60 B9R1.6 OC(=O)c1ccncc1 Fr13756 [0,1,0,0,0,1|1,0,0]=3 61 B9R1.6 OC(=O)c1cnccn1 T0569 [0,1,0,0,0,1|1,0,0]=3 62 B9R1.6 OP(=O)c1ccccc1 T20416 [0,1,0,0,0,1|2,0,0]=4 63 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [0,1,0,0,0,1|1,0,0]=3 64 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [0,1,0,0,0,1|1,0,0]=3 65 B9R1.8 O/N=C/c1ccccc1 T20350 [0,1,0,0,0,1|1,0,1]=4 66 B9R1.8 O=CCc1ccccc1 TCS1857 [0,1,0,0,0,1|1,0,0]=3 67 B9R1.21 OCc1ccc(C=O)o1 T2943 [0,2,0,0,0,0|0,0,0]=2 68 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,2,0,0,0,0|1,0,0]=3 69 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,2,0,0,0,0|0,1,0]=3 70 B9R1.35 Cc1cc(n[nH]1)C(O)=O T7476 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.11 COC(=O)c1ccco1 T8022 [0,2,0,0,0,0|0,0,0]=2 72 B9R1.41 CC(=O)c1occc1O T32217 [0,2,0,0,0,0|0,0,0]=2 73 B9R1.41 NC(=O)c1[nH]cnc1N T1722 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.41 NC(=O)c1[nH]cnc1O T19214 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.41 NC(=O)c1nc[nH]c1N T1705 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.13 OC(=O)Cc1cnc[nH]1 T4753 [0,2,0,0,0,0|2,0,0]=4 78 B7R1.15 [O-]c1cc(=O)c1=O T13777 [0,0,1,1,0,0|1,0,1]=4