0 B12R2.1081 Cc1cccc2c1cccc2 CHEBI:50717 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 Cc1cccc2c1nccc2 CHEBI:48984 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.1081 Cc1cccc2c1nccn2 CHEBI:132799 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.1081 Cc1ccnc2c1cccc2 CHEBI:48983 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.1081 [B]c1cccc2c1cccc2 CHEBI:38991 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.1081 c1cc2c(c(c1)O)CCCC2 CHEBI:45900 [0,0,0,0,0,0|1,0,3]=4 6 B12R2.1081 c1cc2c(cccn2)c(c1)O CHEBI:48993 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 c1cc2cccnc2c(c1)Cl CHEBI:48985 [0,0,0,0,0,0|1,0,0]=1 8 B12R2.1081 c1cc2cccnc2c(c1)O CHEBI:48981 [0,0,0,0,0,0|0,0,0]=0 9 B12R2.1081 c1ccc2c(c1)c(=O)cco2 CHEBI:72013 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.1081 c1ccc2c(c1)c(ccn2)O CHEBI:15815 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O CHEBI:18350 [0,0,0,0,0,0|2,0,1]=3 12 B12R2.1081 c1ccc2c(c1)cccc2N CHEBI:50450 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.1081 c1ccc2c(c1)cccc2O CHEBI:10319 [0,0,0,0,0,0|1,0,0]=1 14 B12R2.1081 c1ccc2c(c1)ccoc2=O CHEBI:38759 [0,0,0,0,0,0|2,0,1]=3 15 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O CHEBI:34023 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.20 C1=CC2C=CC=CC2C=C1 CHEBI:38144 [1,0,0,0,0,0|1,0,2]=4 17 B11R2.20 C1=CC2C=CC=CN2C=C1 CHEBI:36619 [1,0,0,0,0,0|2,0,1]=4 18 B11R2.20 C1=C[C@@H]2[C@@H](C=CC=C2)C=C1 CHEBI:38145 [1,0,0,0,0,0|1,0,2]=4 19 B11R2.20 C1=C[C@H]2[C@@H](C=CC=C2)C=C1 CHEBI:38146 [1,0,0,0,0,0|1,0,2]=4 20 B11R2.20 C1C=CC=C2N1C=CC=C2 CHEBI:36618 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.20 C1C=CN2C=CC=CC2=C1 CHEBI:36645 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.20 c1cc2c(cccn2)nc1 CHEBI:36625 [1,0,0,0,0,0|1,0,0]=2 23 B11R2.20 c1cc2cccnc2nc1 CHEBI:36628 [1,0,0,0,0,0|1,0,0]=2 24 B11R2.20 c1cc2ccncc2nc1 CHEBI:36626 [1,0,0,0,0,0|1,0,0]=2 25 B11R2.20 c1cc2cnccc2nc1 CHEBI:36627 [1,0,0,0,0,0|1,0,0]=2 26 B11R2.20 c1cc[n+]2ccccc2c1 CHEBI:36646 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.20 c1ccc2=COCC=c2c1 CHEBI:36116 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.20 c1ccc2c(c1)C=CCO2 CHEBI:35601 [1,0,0,0,0,0|1,0,1]=3 29 B11R2.20 c1ccc2c(c1)CC=CC2 CHEBI:38143 [1,0,0,0,0,0|1,0,1]=3 30 B11R2.20 c1ccc2c(c1)CC=CO2 CHEBI:35603 [1,0,0,0,0,0|1,0,1]=3 31 B11R2.20 c1ccc2c(c1)CCC=C2 CHEBI:38142 [1,0,0,0,0,0|1,0,1]=3 32 B11R2.20 c1ccc2c(c1)COC=C2 CHEBI:36115 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.20 c1ccc2c(c1)ccc[o+]2 CHEBI:36114 [1,0,0,0,0,0|1,0,0]=2 34 B11R2.20 c1ccc2c(c1)cccn2 CHEBI:17362 [1,0,0,0,0,0|0,0,0]=1 35 B11R2.20 c1ccc2c(c1)ccnn2 CHEBI:36617 [1,0,0,0,0,0|1,0,0]=2 36 B11R2.20 c1ccc2c(c1)cncn2 CHEBI:36621 [1,0,0,0,0,0|1,0,0]=2 37 B11R2.20 c1ccc2c(c1)cnnn2 CHEBI:38586 [1,0,0,0,0,0|2,0,0]=3 38 B11R2.20 c1ccc2c(c1)nccn2 CHEBI:36616 [1,0,0,0,0,0|1,0,0]=2 39 B11R2.20 c1ccc2c(c1)ncnn2 CHEBI:38011 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.20 c1ccc2c[o+]ccc2c1 CHEBI:36119 [1,0,0,0,0,0|2,0,0]=3 41 B11R2.20 c1ccc2ccccc2c1 CHEBI:16482 [1,0,0,0,0,0|1,0,0]=2 42 B11R2.20 c1ccc2cnccc2c1 CHEBI:16092 [1,0,0,0,0,0|2,0,0]=3 43 B11R2.20 c1ccc2cnncc2c1 CHEBI:36597 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.20 c1cnc2c(n1)cncn2 CHEBI:27601 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.20 c1cncc2c1ccnc2 CHEBI:36629 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.20 c1cncc2c1cncc2 CHEBI:36630 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.32 Cc1ccc2ccccc2c1C CHEBI:34052 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.32 c1ccc2c(c1)C=CC(C2O)O CHEBI:28516 [0,1,0,0,0,0|1,0,2]=4 49 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O CHEBI:44343 [0,1,0,0,0,0|1,0,2]=4 50 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@H]2O)O CHEBI:28809 [0,1,0,0,0,0|1,0,2]=4 51 B13R2.32 c1ccc2c(c1)C=C[C@H]([C@@H]2O)O CHEBI:38140 [0,1,0,0,0,0|1,0,2]=4 52 B13R2.32 c1ccc2c(c1)C=C[C@H]([C@H]2O)O CHEBI:38139 [0,1,0,0,0,0|1,0,2]=4 53 B13R2.32 c1ccc2c(c1)c(=O)c(c[nH]2)O CHEBI:16569 [0,1,0,0,0,0|2,0,1]=4 54 B13R2.32 c1ccc2c(c1)c(=O)c(c[nH]2)[O-] CHEBI:57819 [0,1,0,0,0,0|2,0,1]=4 55 B13R2.32 c1ccc2c(c1)c(c(cn2)O)O CHEBI:28788 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.32 c1ccc2c(c1)ccc(c2O)O CHEBI:17435 [0,1,0,0,0,0|1,0,0]=2 57 B13R2.162 Cc1ccc2cccc(c2c1)C CHEBI:48612 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.162 Cc1cccc2c1[nH]c(=O)cc2 CHEBI:48989 [0,1,0,0,0,0|1,0,1]=3 59 B13R2.162 c1cc2c(cc1O)c(ccn2)O CHEBI:28799 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl CHEBI:48990 [0,1,0,0,0,0|1,0,1]=3 61 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)O CHEBI:48988 [0,1,0,0,0,0|0,0,1]=2 62 B13R2.162 c1cc2ccc(nc2c(c1)O)O CHEBI:17715 [0,1,0,0,0,0|0,0,0]=1 63 B13R2.328 Cc1cc(=O)[nH]c2c1cccc2 CHEBI:48986 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.328 Cc1cc(c2ccccc2c1)C CHEBI:48614 [0,1,0,0,0,0|2,0,0]=3 65 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O CHEBI:75926 [0,1,0,0,0,0|2,0,0]=3 66 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O CHEBI:40070 [0,1,0,0,0,0|2,0,0]=3 67 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)[O-] CHEBI:77858 [0,1,0,0,0,0|2,0,1]=4 68 B13R2.328 c1cnc2c(n1)c(nc(n2)N)O CHEBI:18265 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.328 c1cnc2c(n1)c(nc(n2)O)O CHEBI:16489 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.342 Cc1cccc2c1cccc2C CHEBI:48608 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.342 c1cc2c(cccc2N)c(c1)N CHEBI:53003 [0,1,0,0,0,0|2,0,0]=3 72 B13R2.342 c1cc2c(ccnc2O)c(c1)O CHEBI:64044 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.342 c1cc2c(ccnc2c(c1)O)O CHEBI:28883 [0,1,0,0,0,0|0,0,0]=1 74 B13R2.371 Cc1ccc(c2c1cccc2)C CHEBI:48609 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.371 c1ccc2c(c1)C(=O)C=CC2=O CHEBI:27418 [0,1,0,0,0,0|1,0,1]=3 76 B13R2.371 c1ccc2c(c1)c(ccc2O)O CHEBI:34063 [0,1,0,0,0,0|1,0,0]=2 77 B13R2.1613 C=Cc1cccc2c1cccc2 CHEBI:51327 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.1613 c1ccc2c(c1)cccc2C=O CHEBI:52367 [0,1,0,0,0,0|1,0,1]=3 79 B13R2.1613 c1ccc2c(c1)cccc2CO CHEBI:38137 [0,1,0,0,0,0|1,0,0]=2 80 B13R2.1613 c1ccc2c(c1)cccc2NO CHEBI:34871 [0,1,0,0,0,0|1,0,0]=2 81 B13R2.4818 Cc1cccc2c1c(ccc2)C CHEBI:48610 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.5179 Cc1ccc2c(cccc2c1)C CHEBI:34065 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O CHEBI:48995 [0,1,0,0,0,0|2,0,0]=3 84 B13R2.5179 c1cc2cc(ccc2c(c1)O)O CHEBI:42040 [0,1,0,0,0,0|1,0,0]=2 85 B13R2.5179 c1cc2cc(cnc2c(c1)O)O CHEBI:66125 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.16 C=CCC(c1ccccc1)O CHEBI:131375 [0,0,1,0,0,0|1,0,2]=4 87 B11R1.16 C=COC(=O)c1ccccc1 CHEBI:84279 [0,0,1,0,0,0|2,0,1]=4 88 B11R1.53 c1ccc(c(c1)C=O)C(=O)O CHEBI:17605 [0,0,1,0,0,0|3,0,0]=4 89 B13R3.28 c1ccc2c(c1)C=CC3C2O3 CHEBI:52431 [0,0,0,1,0,0|1,0,2]=4 90 B13R3.28 c1ccc2c(c1)C=C[C@H]3[C@@H]2O3 CHEBI:33998 [0,0,0,1,0,0|1,0,2]=4 91 B11R2.1 C=C1C=Nc2c1cccc2 CHEBI:63905 [0,0,0,0,1,0|3,0,0]=4 92 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [0,0,0,0,1,0|3,0,0]=4 93 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [0,0,0,0,1,0|2,0,1]=4 94 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [0,0,0,0,1,0|3,0,0]=4 95 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [0,0,0,0,1,0|2,0,0]=3 96 B11R2.1 c1ccc2c(c1)ccn2Br CHEBI:52517 [0,0,0,0,1,0|3,0,0]=4 97 B11R2.1 c1ccc2c(c1)ccn2Cl CHEBI:52510 [0,0,0,0,1,0|3,0,0]=4 98 B11R2.106 C1=CC(=O)C2=CC=NC2=C1 CHEBI:51631 [0,0,0,0,1,0|1,0,1]=3 99 B11R2.106 C1=CC(=O)C2=NC=CC2=C1 CHEBI:51634 [0,0,0,0,1,0|0,0,1]=2 100 B11R2.106 c1cc2c(cc[nH]2)c(c1)O CHEBI:24702 [0,0,0,0,1,0|1,0,0]=2 101 B11R2.106 c1cc2cc[nH]c2c(c1)N CHEBI:33068 [0,0,0,0,1,0|1,0,1]=3 102 B10R1.2 c1cc(c(c(c1)O)O)C=O CHEBI:50197 [1,0,1,0,0,0|2,0,0]=4 103 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,0,1,0,0,0|0,0,1]=3 104 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [1,0,1,0,0,0|1,0,1]=4 105 B10R1.17 c1ccc(cc1)\C=C\C=O CHEBI:16731 [1,0,1,0,0,0|1,0,0]=3 106 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [1,0,1,0,0,0|1,0,1]=4 107 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [1,0,1,0,0,0|1,0,1]=4 108 B10R1.61 c1cc(c(nc1)C(=O)O)O CHEBI:64342 [1,0,1,0,0,0|2,0,0]=4 109 B10R1.245 c1cc(c(c(c1)O)C=O)O CHEBI:50206 [1,0,1,0,0,0|2,0,0]=4 110 B12R1.125 CC(=CCc1ccccc1O)C CHEBI:1269 [0,1,1,0,0,0|1,0,1]=4 111 B12R1.125 c1ccc(c(c1)\C=C/C(=O)O)O CHEBI:28873 [0,1,1,0,0,0|2,0,0]=4 112 B12R1.125 c1ccc(c(c1)\C=C/C(=O)[O-])O CHEBI:47921 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O CHEBI:18125 [0,1,1,0,0,0|2,0,0]=4 114 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O CHEBI:18176 [0,1,1,0,0,0|2,0,0]=4 115 B12R1.125 c1ccc(c(c1)\C=C\C(=O)[O-])O CHEBI:11594 [0,1,1,0,0,0|2,0,0]=4 116 B12R1.125 c1ccc(c(c1)\C=C\C(=O)[O-])O CHEBI:12875 [0,1,1,0,0,0|2,0,0]=4 117 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O CHEBI:61118 [0,1,1,0,0,0|2,0,0]=4 118 B12R1.226 c1cc(cc(c1)O)\C=C/C(=O)O CHEBI:47926 [0,1,1,0,0,0|1,0,0]=3 119 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O CHEBI:32357 [0,1,1,0,0,0|1,0,0]=3 120 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O CHEBI:47925 [0,1,1,0,0,0|1,0,0]=3 121 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)[O-] CHEBI:47927 [0,1,1,0,0,0|1,0,0]=3 122 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)[O-] CHEBI:47928 [0,1,1,0,0,0|1,0,0]=3 123 B12R1.385 c1cc(c(cc1\C=C\C=O)O)O CHEBI:28323 [0,1,1,0,0,0|1,0,0]=3 124 B12R1.385 c1cc(c(cc1\C=C\CO)O)O CHEBI:31334 [0,1,1,0,0,0|1,0,1]=4 125 B12R1.385 c1cc(c(cc1\C=C\CO)O)O CHEBI:86071 [0,1,1,0,0,0|1,0,1]=4 126 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O CHEBI:16675 [0,1,1,0,0,0|2,0,0]=4 127 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)[O-] CHEBI:46833 [0,1,1,0,0,0|2,0,0]=4 128 B12R2.24 Cc1cc2ccccc2nc1 CHEBI:20140 [1,1,0,0,0,0|0,0,0]=2 129 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [1,1,0,0,0,0|1,0,0]=3 130 B12R2.24 Cc1ccc2ccccc2n1 CHEBI:132813 [1,1,0,0,0,0|0,0,0]=2 131 B12R2.24 Cc1cnc2ccccc2n1 CHEBI:132812 [1,1,0,0,0,0|1,0,0]=3 132 B12R2.24 c1cc2cc(ccc2nc1)O CHEBI:48994 [1,1,0,0,0,0|0,0,0]=2 133 B12R2.24 c1cc2ccc(cc2nc1)O CHEBI:48980 [1,1,0,0,0,0|0,0,0]=2 134 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [1,1,0,0,0,0|0,0,1]=3 135 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [1,1,0,0,0,0|1,0,0]=3 136 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [1,1,0,0,0,0|0,0,0]=2 137 B12R2.24 c1ccc2c(c1)ncc(n2)O CHEBI:38890 [1,1,0,0,0,0|1,0,0]=3 138 B12R2.24 c1ccc2cc(ccc2c1)N CHEBI:27878 [1,1,0,0,0,0|1,0,0]=3 139 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [1,1,0,0,0,0|1,0,0]=3 140 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO CHEBI:24814 [0,1,0,0,1,0|2,0,0]=4 141 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [0,1,0,0,1,0|2,0,0]=4 142 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)O CHEBI:90247 [0,1,0,0,1,0|2,0,0]=4 143 B12R2.221 c1[nH]c2c(n1)C(=O)C=CC2=O CHEBI:51581 [0,1,0,0,1,0|1,0,1]=4 144 B12R2.221 c1c[nH]c2c1C(=O)C=CC2=O CHEBI:51637 [0,1,0,0,1,0|0,0,2]=4 145 B14R2.92 c1ccc2c(c1)ccc(c2O)C=O CHEBI:28091 [0,2,0,0,0,0|1,0,0]=3 146 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O CHEBI:17313 [0,2,0,0,0,0|1,0,0]=3 147 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O CHEBI:28869 [0,2,0,0,0,0|1,0,1]=4 148 B14R2.7724 Cc1cc(c2ccccc2c1O)O CHEBI:6746 [0,2,0,0,0,0|1,0,0]=3 149 B14R2.7724 c1cc2c(cc(c(c2nc1)O)Cl)Cl CHEBI:59477 [0,2,0,0,0,0|0,0,0]=2 150 B14R2.7724 c1cc2c(cc(c(c2nc1)O)I)Cl CHEBI:74460 [0,2,0,0,0,0|0,0,0]=2 151 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)Cl CHEBI:28160 [0,2,0,0,0,0|1,0,1]=4 152 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O CHEBI:44401 [0,2,0,0,0,0|1,0,1]=4 153 B14R2.28523 Cc1cccc2c1c(c(cc2)O)O CHEBI:38136 [0,2,0,0,0,0|1,0,0]=3 154 B14R2.29369 c1cc(c(c2c1cc(cc2)N)O)O CHEBI:20697 [0,2,0,0,0,0|1,0,0]=3 155 B14R2.8045 Cc1[nH]c2c(cccc2O)c(=O)n1 CHEBI:75399 [0,2,0,0,0,0|1,0,1]=4 156 B14R2.28480 c1cc2cc(cc(c2c(c1)O)O)O CHEBI:18393 [0,2,0,0,0,0|1,0,0]=3 157 B14R2.8051 c1cc2c(c(c1)O)C(=O)C=CC2=O CHEBI:15794 [0,2,0,0,0,0|1,0,0]=3 158 B14R2.1131 c1ccc2c(c1)c(cc[n+]2[O-])NO CHEBI:28469 [0,2,0,0,0,0|2,0,0]=4 159 B14R2.7150 c1ccc2c(c1)cccc2N=C=S CHEBI:35455 [0,2,0,0,0,0|1,1,0]=4 160 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=O)O CHEBI:18311 [0,2,0,0,0,0|2,0,0]=4 161 B14R2.31359 c1ccc2c(c1)cccc2C(=O)O CHEBI:36466 [0,2,0,0,0,0|1,0,0]=3 162 B14R2.31359 c1ccc2c(c1)cccc2C(=O)[O-] CHEBI:36298 [0,2,0,0,0,0|1,0,1]=4 163 B14R2.31359 c1ccc2c(c1)cccc2[N+](=O)[O-] CHEBI:34104 [0,2,0,0,0,0|1,0,1]=4 164 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O CHEBI:36636 [0,0,1,1,0,0|2,0,0]=4 165 B12R2.41 c1ccc2c(c1)C=CC=CN2 CHEBI:38430 [0,0,1,1,0,0|1,0,1]=4 166 B12R2.41 c1ccc2c(c1)CC=CC=C2 CHEBI:37513 [0,0,1,1,0,0|2,0,0]=4 167 B14R3.164 c1cc2cccc3c2c(c1)C=C3 CHEBI:33081 [0,1,0,1,0,0|2,0,0]=4 168 B14R3.164 c1cc2cccc3c2c(c1)CC3 CHEBI:22154 [0,1,0,1,0,0|2,0,0]=4 169 B10R2.7 C1=CC2C(=NC=N2)C=C1 CHEBI:36641 [1,0,0,0,1,0|1,0,1]=4 170 B10R2.7 C1C=CC2=CC=CC2=C1 CHEBI:33056 [1,0,0,0,1,0|0,0,1]=3 171 B10R2.7 C1C=CC=C2C1=CC=C2 CHEBI:33055 [1,0,0,0,1,0|0,0,1]=3 172 B10R2.7 C1C=CC=C2C1=NC=N2 CHEBI:36623 [1,0,0,0,1,0|1,0,1]=4 173 B10R2.7 c1cc2c(nc1)nc[nH]2 CHEBI:59952 [1,0,0,0,1,0|2,0,0]=4 174 B10R2.7 c1cc2c(nc1)nco2 CHEBI:38581 [1,0,0,0,1,0|2,0,0]=4 175 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [1,0,0,0,1,0|0,0,1]=3 176 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [1,0,0,0,1,0|1,0,1]=4 177 B10R2.7 c1ccc2c(c1)C=C[CH]2 CHEBI:33053 [1,0,0,0,1,0|0,0,1]=3 178 B10R2.7 c1ccc2c(c1)C=C[C]2 CHEBI:33052 [1,0,0,0,1,0|0,0,1]=3 179 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,0,1,0|0,0,1]=3 180 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,0,1,0|0,0,1]=3 181 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,0,1,0|1,0,1]=4 182 B10R2.7 c1ccc2c(c1)[n-]cn2 CHEBI:33173 [1,0,0,0,1,0|1,0,0]=3 183 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [1,0,0,0,1,0|1,0,0]=3 184 B10R2.7 c1ccc2c(c1)[nH]nn2 CHEBI:75331 [1,0,0,0,1,0|2,0,0]=4 185 B10R2.7 c1ccc2c(c1)c[nH]n2 CHEBI:36670 [1,0,0,0,1,0|1,0,0]=3 186 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [1,0,0,0,1,0|0,0,1]=3 187 B10R2.7 c1ccc2c(c1)cco2 CHEBI:35260 [1,0,0,0,1,0|1,0,0]=3 188 B10R2.7 c1ccc2c(c1)ccs2 CHEBI:35858 [1,0,0,0,1,0|1,0,0]=3 189 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [1,0,0,0,1,0|1,0,1]=4 190 B10R2.7 c1ccc2c(c1)cno2 CHEBI:51554 [1,0,0,0,1,0|2,0,0]=4 191 B10R2.7 c1ccc2c(c1)con2 CHEBI:51555 [1,0,0,0,1,0|1,0,0]=3 192 B10R2.7 c1ccc2c(c1)nco2 CHEBI:38814 [1,0,0,0,1,0|1,0,0]=3 193 B10R2.7 c1ccc2c(c1)ncs2 CHEBI:45993 [1,0,0,0,1,0|1,0,0]=3 194 B10R2.7 c1ccc2c[nH]cc2c1 CHEBI:33179 [1,0,0,0,1,0|1,0,0]=3 195 B10R2.7 c1ccc2cocc2c1 CHEBI:35261 [1,0,0,0,1,0|1,0,0]=3 196 B10R2.7 c1ccc2cscc2c1 CHEBI:36953 [1,0,0,0,1,0|1,0,0]=3 197 B10R2.7 c1ccn2cccc2c1 CHEBI:35583 [1,0,0,0,1,0|1,0,0]=3 198 B10R2.7 c1cn2ccnc2cn1 CHEBI:37846 [1,0,0,0,1,0|2,0,0]=4 199 B10R2.7 c1cncn2c1ncc2 CHEBI:35874 [1,0,0,0,1,0|2,0,0]=4