0 B7R1.3 Cc1ccccn1 T21323 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 Clc1cnccn1 T2193 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 Nc1nccnn1 T8826 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.3 O=C1NCCC=C1 TN3081 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 O=c1cccc[nH]1 T4805 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.1 C1=CC=CC=C1 T12445 [1,0,0,0,0,0|1,0,0]=2 6 B6R1.1 c1cncnc1 T4809 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.2 NCc1ccccc1 TN3497 [0,1,0,0,0,0|1,0,0]=2 8 B8R1.2 NCc1cccnc1 T1581 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.2 O=Cc1ccccc1 TWO2659 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 OCc1ccccc1 T0732 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.2 OCc1ccccn1 T1112 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.2 OCc1cccnc1 T1299 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.3 Clc1ccc(Cl)cc1 T7431 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.4 Cc1cccc(O)c1 T33229 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.4 Cc1cccc([O-])c1 T33983 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.4 Fc1cccc(Br)c1 T30352 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.4 Fc1cccc(I)c1 T21183 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.4 Fc1cccc(S)c1 T21187 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.4 Ic1cccc(I)c1 T21145 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.4 Nc1ccnc(O)n1 T4832 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.4 O=c1cc[nH]c(=O)[nH]1 T0069 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.4 O=c1cc[nH]c(=[Se])[nH]1 T19103 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.4 Oc1cccc(I)c1 T21200 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.4 Oc1cccc(O)n1 T4720 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.4 Oc1ccnc(O)c1 T7963 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.4 Sc1nccc(=O)[nH]1 T1310 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.5 Cc1ncccc1O T5901 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.5 Nc1ccccc1I T20285 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.5 Nc1ccncc1N T4497 [0,1,0,0,0,0|0,0,0]=1 31 B8R1.5 Nc1ccncc1N T4497L [0,1,0,0,0,0|0,0,0]=1 32 B8R1.5 Nc1ncccc1O T7923 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.5 Oc1coccc1=O TL0015 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.5 On1ccccc1=S T12593 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.5 [O-]n1ccccc1=S T26004 [0,1,0,0,0,0|3,0,0]=4 36 B6R1.2 C[c-]1cccc1 T20558 [0,0,0,0,1,0|1,0,1]=3 37 B6R1.2 Cc1cn[nH]c1 T0765 [0,0,0,0,1,0|2,0,0]=3 38 B6R1.2 Cn1ccnc1 T0575 [0,0,0,0,1,0|2,0,0]=3 39 B6R1.2 Nc1nccs1 T0495 [0,0,0,0,1,0|2,0,0]=3 40 B5R0.1 ClC(Cl)=CC=C T31434 [1,0,1,0,0,0|2,0,0]=4 41 B5R0.3 C=CC(=O)C=C T31538 [1,0,1,0,0,0|1,0,0]=3 42 B7R1.1 COc1ccoc1 TN2959 [0,1,0,0,1,0|2,0,0]=4 43 B7R1.2 C=C1OC(=O)C=C1 TN2420 [0,1,0,0,1,0|2,0,0]=4 44 B7R1.2 Cc1cc(N)no1 T0644 [0,1,0,0,1,0|2,0,0]=4 45 B7R1.2 Cn1ccc(N)n1 T3295 [0,1,0,0,1,0|1,0,1]=4 46 B7R1.2 O=C1NC(=O)C=C1 T4820 [0,1,0,0,1,0|2,0,0]=4 47 B7R1.4 Cn1ccnc1S T0840 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.5 Oc1cccccc1=O T8087 [0,1,0,0,0,1|2,0,0]=4 49 B9R1.1 CCc1ccc(O)cc1 T5883 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.1 COc1ccc(F)cc1 T0528 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.1 COc1ccc(O)cc1 T0501 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.1 NCc1ccc(O)cc1 T21095 [0,2,0,0,0,0|1,0,0]=3 53 B9R1.1 NNc1ccc(Cl)cc1 T3167 [0,2,0,0,0,0|1,0,0]=3 54 B9R1.1 OCc1ccc(O)cc1 T3752 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.1 Oc1ccc(C=C)cc1 T13509 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.2 CCc1cccc(N)c1 T21169 [0,2,0,0,0,0|1,0,0]=3 58 B9R1.2 CCc1cccc(O)c1 T21170 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.2 CNc1cccc(C)c1 T0557 [0,2,0,0,0,0|1,0,0]=3 60 B9R1.2 COc1cccc(Br)c1 T21218 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.2 COc1cccc(C)c1 T21278 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.2 COc1cccc(O)c1 T20294 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.2 ClCc1cccc(Cl)c1 T21091 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.2 Fc1cccc(C=O)c1 T21180 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.2 Fc1cccc(CCl)c1 T21179 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,2,0,0,0,0|0,0,0]=2 68 B9R1.2 OCc1cccc(I)c1 T21214 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.2 OCc1cccc(O)c1 T4760 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.2 ONc1ccnc(=O)[nH]1 T9463 [0,2,0,0,0,0|1,0,0]=3 71 B9R1.2 Oc1cccc(C=O)c1 T4778 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.6 CC(=O)c1ccccc1 T7446 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.6 NC(=N)c1ccccc1 T8362 [0,2,0,0,0,0|1,0,0]=3 75 B9R1.6 NC(=O)c1ccccc1 T6780 [0,2,0,0,0,0|1,0,0]=3 76 B9R1.6 NC(=O)c1ccccn1 T6942 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.6 NC(=O)c1cccnc1 T0934 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.6 NC(=O)c1ccncc1 T0552 [0,2,0,0,0,0|0,0,0]=2 79 B9R1.6 NC(=S)c1ccncc1 T1365 [0,2,0,0,0,0|0,0,0]=2 80 B9R1.6 OB(O)c1ccccc1 T30355 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.6 OC(=O)c1ccccc1 T0833 [0,2,0,0,0,0|2,0,0]=4 82 B9R1.6 OC(=O)c1ccncc1 Fr13756 [0,2,0,0,0,0|1,0,0]=3 83 B9R1.6 OP(=O)c1ccccc1 T20416 [0,2,0,0,0,0|1,1,0]=4 84 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.8 CCOc1ccccc1 T19753 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.8 CNCc1ccccc1 T8016 [0,2,0,0,0,0|1,0,0]=3 87 B9R1.8 NCCc1ccccc1 T2935 [0,2,0,0,0,0|1,0,0]=3 88 B9R1.8 NCCc1ccccc1 T7433 [0,2,0,0,0,0|1,0,0]=3 89 B9R1.8 NCCc1ccccn1 T22501 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.8 O/N=C/c1ccccc1 T20350 [0,2,0,0,0,0|1,0,1]=4 91 B9R1.8 O=CCc1ccccc1 TCS1857 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.8 OCCc1ccccc1 T0011 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.15 COc1ccccc1O T1301 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.15 NCc1ccccc1O T41358 [0,2,0,0,0,0|1,0,0]=3 95 B9R1.15 OCc1ccccc1O T0311 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.69 Cc1c[nH]c(=O)nc1N T5270 [0,2,0,0,0,0|1,0,1]=4 97 B9R1.69 Cc1cc(O)ccc1N T21284 [0,2,0,0,0,0|1,0,0]=3 98 B9R1.69 Cc1cc(ccc1O)O TN4871 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [0,2,0,0,0,0|1,0,0]=3 100 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,2,0,0,0,0|1,0,0]=3 101 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [0,2,0,0,0,0|1,0,0]=3 102 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.69 Cn1ccc(N)nc1=O T10019 [0,2,0,0,0,0|1,0,1]=4 104 B9R1.69 Nc1[nH]c(=O)ncc1Br T7466 [0,2,0,0,0,0|1,0,0]=3 105 B9R1.69 Nc1ccc(F)cc1O T1370 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.69 Nc1nc(=O)[nH]cc1F T0986 [0,2,0,0,0,0|1,0,1]=4 107 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.69 Oc1cc(=O)[nH]cc1Cl T0987 [0,2,0,0,0,0|1,0,1]=4 109 B9R1.3 Cc1cccc(O)c1O T3742 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.3 Cc1occc(=O)c1O T5545 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.3 Cc1occc(=O)c1[O-] T27398 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.3 Nc1ccnc(N)[n+]1[O-] T20845 [0,2,0,0,0,0|1,0,0]=3 113 B9R1.3 O=C1C(I)=CNC=C1I T32182 [0,2,0,0,0,0|1,0,1]=4 114 B9R1.3 Oc1cccc(O)c1O T3749 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.34 Nc1cc(O)nc(N)n1 T7461 [0,2,0,0,0,0|1,0,0]=3 117 B9R1.34 Nc1nc(N)nc(Cl)n1 T0604 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.34 Nc1nc(N)nc(N)n1 T5549 [0,2,0,0,0,0|2,0,0]=4 119 B5R1.1 c1cc[cH-]c1 T20786 [1,0,0,0,1,0|0,0,1]=3 120 B5R1.1 c1cn[nH]c1 T4842 [1,0,0,0,1,0|1,0,0]=3 121 B5R1.1 c1cnoc1 T7500 [1,0,0,0,1,0|1,0,0]=3