0 B9R1.15 COc1ccccc1O T1301 [0,0,0,0,0,0|0,1,0]=1 1 B9R1.15 NCc1ccccc1O T41358 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.15 OCc1ccccc1O T0311 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.2 COc1cnccn1 TN6755 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.2 NCc1ccccc1 TN3497 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 O=Cc1ccccc1 TWO2659 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 OCc1ccccc1 T0732 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.5 Cc1ncccc1O T5901 [1,0,0,0,0,0|1,1,0]=3 11 B8R1.5 Nc1ccccc1I T20285 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.5 Nc1ccncc1N T4497 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.5 Nc1ccncc1N T4497L [1,0,0,0,0,0|3,0,0]=4 14 B8R1.5 Nc1ncccc1O T7923 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.5 Oc1coccc1=O TL0015 [1,0,0,0,0,0|1,1,0]=3 16 B8R1.5 On1ccccc1=S T12593 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.5 [O-]n1ccccc1=S T26004 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.2 CCc1occc(=O)c1O T5566 [0,1,0,0,0,0|2,1,0]=4 19 B10R1.2 COc1cccc(Cl)c1Cl T1358 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.4 CCOc1ccccc1Br T20308 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.4 CSCc1ccccc1O T33357 [0,1,0,0,0,0|0,2,0]=3 22 B10R1.4 O/N=C/c1ccccc1O T20346 [0,1,0,0,0,0|2,1,0]=4 23 B10R1.4 Oc1ccccc1CC=C T20472 [0,1,0,0,0,0|1,1,1]=4 24 B10R1.20 COc1ccccc1CN T1372 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.20 COc1ccccc1OC T20326 [0,1,0,0,0,0|0,1,0]=2 26 B10R1.25 CCc1ccc(C)cc1O T29345 [0,1,0,0,0,0|1,1,0]=3 27 B10R1.25 CSc1ccc(C)cc1O T33232 [0,1,0,0,0,0|0,2,0]=3 28 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,1,0,0,0,0|2,1,0]=4 29 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [0,1,0,0,0,0|2,1,0]=4 30 B10R1.30 CCc1nc(C)ccc1O T7875 [0,1,0,0,0,0|2,1,0]=4 31 B10R1.30 CCc1nc(C)ccc1O T8624 [0,1,0,0,0,0|2,1,0]=4 32 B10R1.30 COc1cc(C)ccc1O T20446 [0,1,0,0,0,0|0,1,0]=2 33 B10R1.30 COc1cc(N)ccc1O T21072 [0,1,0,0,0,0|0,1,0]=2 34 B10R1.61 CC(=O)c1ccccc1C T36788 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,1,0,0,0,0|1,1,0]=3 37 B10R1.61 Cc1ccccc1C(O)=O T8068 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.61 NC(=O)c1ccccc1O T0004 [0,1,0,0,0,0|2,1,0]=4 39 B10R1.61 OC(=O)c1ccccc1I T20881 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.61 OC(=O)c1ccccc1O T0649 [0,1,0,0,0,0|2,1,0]=4 41 B10R1.61 OC(=O)c1ccccc1O T27597 [0,1,0,0,0,0|2,1,0]=4 42 B10R1.61 OC(=O)c1ncccc1S T12929 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.61 Oc1ccccc1C(S)=S T31535 [0,1,0,0,0,0|2,1,0]=4 44 B10R1.61 Oc1ccccc1C([O-])=O T0335 [0,1,0,0,0,0|2,1,0]=4 45 B10R1.61 Oc1ccccc1C([O-])=O T20668 [0,1,0,0,0,0|2,1,0]=4 46 B10R1.245 COc1c(C)cccc1O T29355 [0,1,0,0,0,0|0,1,0]=2 47 B10R1.245 Clc1cccc(Cl)c1C#N T31433 [0,1,0,0,0,0|3,0,0]=4 48 B10R2.7 C12=N[Se]N=C1C=CC=C2 T20536 [0,0,0,1,0,0|3,0,0]=4 49 B10R2.7 C1Cc2ccccc2O1 Fr14127 [0,0,0,1,0,0|1,0,0]=2 50 B10R2.7 c1[nH]nc2ccccc12 T2192 [0,0,0,1,0,0|3,0,0]=4 51 B10R2.7 c1cc2ccccc2[nH]1 T4799 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|1,0,0]=3 53 B7R1.3 O=c1cccc[nH]1 T4805 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [0,1,1,0,0,0|1,1,0]=4 55 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|1,0,0]=3 56 B9R1.1 COc1ccc(F)cc1 T0528 [1,1,0,0,0,0|0,0,0]=2 57 B9R1.1 COc1ccc(O)cc1 T0501 [1,1,0,0,0,0|0,0,0]=2 58 B9R1.1 NCc1ccc(O)cc1 T21095 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.1 OCc1ccc(O)cc1 T3752 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.2 CCc1cccc(N)c1 T21169 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.2 CCc1cccc(O)c1 T21170 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.2 COc1cccc(Br)c1 T21218 [1,1,0,0,0,0|0,0,0]=2 67 B9R1.2 COc1cccc(C)c1 T21278 [1,1,0,0,0,0|0,0,0]=2 68 B9R1.2 COc1cccc(O)c1 T20294 [1,1,0,0,0,0|0,0,0]=2 69 B9R1.2 Cc1cccc(c1)[I]=O T32169 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.2 ClCc1cccc(Cl)c1 T21091 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.2 Fc1cccc(C=O)c1 T21180 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.2 Fc1cccc(CCl)c1 T21179 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.2 OCc1cccc(I)c1 T21214 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.6 CC(=O)c1ccccc1 T7446 [1,1,0,0,0,0|1,0,0]=3 77 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|1,0,0]=3 78 B9R1.6 NC(=N)c1ccccc1 T8362 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.6 NC(=O)c1ccccc1 T6780 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.6 OB(O)c1ccccc1 T30355 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.6 OC(=O)c1ccccc1 T0833 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.6 OP(=O)c1ccccc1 T20416 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.8 CCOc1ccccc1 T19753 [1,1,0,0,0,0|0,0,0]=2 85 B9R1.8 CNCc1ccccc1 T8016 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.8 NCCc1ccccn1 T22501 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.8 O/N=C/c1ccccc1 T20350 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.8 O=CCc1ccccc1 TCS1857 [1,1,0,0,0,0|1,0,1]=4 91 B9R1.8 OCCc1ccccc1 T0011 [1,1,0,0,0,0|1,0,0]=3 92 B9R1.8 OCCc1ccccn1 T0658 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.3 Cc1cccc(O)c1O T3742 [1,1,0,0,0,0|0,1,0]=3 94 B9R1.3 Cc1occc(=O)c1O T5545 [1,1,0,0,0,0|1,1,0]=4 95 B9R1.3 Cc1occc(=O)c1[O-] T27398 [1,1,0,0,0,0|1,1,0]=4 96 B9R1.3 Oc1cccc(O)c1O T3749 [1,1,0,0,0,0|0,1,0]=3 97 B9R1.69 Cc1cc(O)ccc1N T21284 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.69 Cc1cc(ccc1O)O TN4871 [1,1,0,0,0,0|0,1,0]=3 99 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [1,1,0,0,0,0|1,0,0]=3 100 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [1,1,0,0,0,0|1,0,0]=3 102 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,1,0,0,0,0|0,1,0]=3 103 B9R1.69 Nc1ccc(F)cc1O T1370 [1,1,0,0,0,0|1,0,0]=3 104 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [1,1,0,0,0,0|0,1,0]=3 105 B9R1.69 Oc1cc(=O)[nH]cc1Cl T0987 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.159 C[C@@H](N)c1cccc(Cl)c1Cl T22956 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.265 COc1cc[nH]c(=O)c1C#N T1363 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.267 COc1cccc(C=O)c1O TN6748 [0,2,0,0,0,0|0,1,0]=3 109 B11R1.267 COc1cccc(OC)c1O TN5088 [0,2,0,0,0,0|0,1,0]=3 110 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,2,0,0,0,0|1,1,0]=4 111 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,2,0,0,0,0|1,1,0]=4 112 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.222 COC(=O)c1ccccc1O T0399 [0,2,0,0,0,0|0,1,0]=3 114 B11R1.37 COc1ccc(O)cc1OC T3745 [0,2,0,0,0,0|0,1,0]=3 115 B11R1.53 COc1ccccc1C(O)=O T5874 [0,2,0,0,0,0|0,1,0]=3 116 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|1,1,0]=4 117 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,2,0,0,0,0|1,1,0]=4 118 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,2,0,0,0,0|1,1,0]=4 119 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,2,0,0,0,0|0,1,0]=3 120 B11R1.279 COc1ccc(C=O)cc1O T3740 [0,2,0,0,0,0|0,1,0]=3 121 B11R1.279 COc1ccc(CO)cc1O TN6810 [0,2,0,0,0,0|0,1,0]=3 122 B11R1.464 COc1c(O)cc(O)cc1O T19380 [0,2,0,0,0,0|0,1,0]=3 123 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [0,2,0,0,0,0|1,1,0]=4 124 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [0,2,0,0,0,0|0,1,0]=3 125 B11R1.280 COc1cc(C=C)ccc1O T8197 [0,2,0,0,0,0|0,1,0]=3 126 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,2,0,0,0,0|0,1,0]=3 127 B11R1.280 COc1cc(CN)ccc1O T1356 [0,2,0,0,0,0|0,1,0]=3 128 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|0,1,0]=3 129 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,1,1,0,0|1,1,0]=4 130 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,1,0,1,0,0|1,0,1]=4 131 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [0,1,0,1,0,0|1,0,1]=4 132 B11R2.10 Sc1nc2ccccc2s1 T19856 [0,1,0,1,0,0|1,0,1]=4 133 B11R2.20 C1SSCc2ccccc12 T12696 [0,1,0,1,0,0|2,0,0]=4 134 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,1,0,1,0,0|2,0,0]=4 135 B11R2.1 O=C1CCc2ccccc12 T0564 [0,1,0,1,0,0|1,1,0]=4 136 B11R2.36 Oc1ccc2OCOc2c1 T3676 [0,1,0,1,0,0|0,1,0]=3 137 B7R1.1 COc1ccoc1 TN2959 [1,0,0,0,1,0|1,0,0]=3 138 B7R1.4 Cn1ccnc1S T0840 [1,0,0,0,1,0|2,0,0]=4