0 B10R1.4 CCOc1ccccc1Br T20308 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.4 CSCc1ccccc1O T33357 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.4 C[n+]1ccccc1/C=N/O T1111 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.4 C[n+]1ccccc1/C=N/O T22404 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.4 O/N=C/c1ccccc1O T20346 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.4 Oc1ccccc1CC=C T20472 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 COc1ccccc1O T1301 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 NCc1ccccc1O T41358 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.15 OCc1ccccc1O T0311 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.13 Cc1cccc(CC=C)c1O T29470 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.13 Oc1cccc(CC=C)c1O T26596 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.81 Cc1ccc(c(c1)C)N=C=S T35213 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.81 Clc1ccc(CC#N)c(Cl)c1 T20375 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.81 Oc1ccc(CC#N)c(O)c1 TN2721 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.182 Cc1ccc(O)c(CC=C)c1 T29333 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,0,0,0,0|2,0,1]=4 27 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,1,0,0|2,0,1]=4 28 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,0,0|2,0,1]=4 29 B11R2.20 C1SSCc2ccccc12 T12696 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.33 CC1=C(CCCl)SC=N1 T10796 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.33 Cc1[nH]cnc1CCN T50049 [0,0,0,0,1,0|2,0,0]=3 32 B9R1.33 Cc1ncsc1CCCl T14983 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.33 Cn1cncc1CCN T4940 [0,0,0,0,1,0|2,0,0]=3 34 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|0,0,0]=2 35 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.5 Cc1ncccc1O T5901 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.5 Nc1ccccc1I T20285 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.5 Nc1ccncc1N T4497 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 Nc1ccncc1N T4497L [2,0,0,0,0,0|2,0,0]=4 44 B8R1.5 Nc1ncccc1O T7923 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,0]=2 47 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 49 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|0,0,0]=2 54 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|0,0,2]=4 57 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,0]=2 58 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,0]=3 64 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.2 CCc1occc(=O)c1O T5566 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.2 COc1cccc(Cl)c1Cl T1358 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.20 COc1ccccc1CN T1372 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.20 COc1ccccc1OC T20326 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.30 CCc1nc(C)ccc1O T7875 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.30 CCc1nc(C)ccc1O T8624 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.30 COc1cc(C)ccc1O T20446 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.30 COc1cc(N)ccc1O T21072 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|0,0,1]=3 86 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.61 NC(=O)c1ccccc1O T0004 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.245 COc1c(C)cccc1O T29355 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.130 Cc1nc(N)sc1CCN T22570 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.130 Cc1nc(N)sc1CCN T50112 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.187 NCCN1C(=O)C=CC1=O T15972 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.69 CCCCc1ccc(C)cc1O T33233 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.69 CCCCc1ccc(O)cc1O T7125 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.69 Nc1ccc(OCCO)c(N)c1 T5672 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.121 COc1ccccc1OCCN T1698 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.267 CCCCCc1ccccc1O T33809 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.308 NCCC(=O)c1ccccc1N T32431 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.112 CCOc1ccc(N)cc1OC T34117 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.169 NCCc1ccccc1CC=C T25047 [0,2,0,0,0,0|0,0,0]=2 104 B12R1.114 CCNc1ccc(cc1C)[N+]#N T31237 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352L [0,2,0,0,0,0|1,0,0]=3 107 B12R1.151 CC(C)(N)Cc1ccccc1Cl T30986 [0,2,0,0,0,0|1,0,0]=3 108 B10R1.113 NC1CC(=CC=C1)C(O)=O T24080 [0,0,1,1,0,0|2,0,0]=4 109 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|1,0,0]=3 110 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|0,0,2]=4 111 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,1,0,1,0,0|1,0,0]=3 112 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,1,0,1,0,0|1,0,0]=3 114 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.1 NCc1c[nH]c2ccccc12 T19373 [0,1,0,1,0,0|0,0,2]=4 116 B12R2.18 C[C@H]1[C@@H](O)Cc2ccncc12 TN3378 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.221 Oc1ccc(Cl)c2CCCc12 T1253 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.8 NCCC1=CSC=N1 T29422 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.8 NCCc1c[nH]cn1 T0965 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.8 NCCc1c[nH]cn1 T6535 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.8 NCCc1cc[nH]n1 T8599 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.8 NCCc1cnc[nH]1 T6534 [1,0,0,0,1,0|2,0,0]=4