0 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [0,0,0,0,0,0|0,0,2]=2 2 B8R1.3 C=C1C=CC(=N)C=C1 CHEBI:52416 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.3 C=c1ccc(=C)cc1 CHEBI:52410 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.3 c1cc(ccc1Br)Br CHEBI:37150 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.3 c1cc(ccc1Cl)Cl CHEBI:28618 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.3 c1cc(ccc1F)F CHEBI:38585 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.3 c1cc(ccc1N)Cl CHEBI:20331 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.3 c1cc(ccc1N)F CHEBI:28546 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.3 c1cc(ccc1N)N CHEBI:51403 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.3 c1cc(ccc1N)O CHEBI:17602 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.3 c1cc(ccc1O)Br CHEBI:47248 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.3 c1cc(ccc1O)Cl CHEBI:28078 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.3 c1cc(ccc1O)I CHEBI:43521 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.3 c1cc(ccc1O)O CHEBI:17594 [0,0,0,0,0,0|0,0,0]=0 19 B8R1.3 c1cc(ccc1O)O CHEBI:26491 [0,0,0,0,0,0|0,0,0]=0 20 B8R1.3 c1cc(ccc1O)[O] CHEBI:17977 [0,0,0,0,0,0|0,0,1]=1 21 B8R1.3 c1cc(ncc1O)O CHEBI:16364 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.3 C[n+]1ccccc1 CHEBI:15761 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 Cc1ccccc1 CHEBI:17578 [1,0,0,0,0,0|1,0,0]=2 24 B7R1.3 Cc1ccccn1 CHEBI:50415 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 Cc1cccnc1 CHEBI:39922 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 Cc1ccncc1 CHEBI:32547 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 [Li]c1ccccc1 CHEBI:51470 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.3 c1c(cncn1)N CHEBI:38619 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.3 c1c[nH]ccc1=O CHEBI:133125 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 c1cc(cnc1)O CHEBI:87440 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 c1cc[n+](cc1)[O-] CHEBI:29136 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 c1ccc(cc1)Br CHEBI:3179 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.3 c1ccc(cc1)Cl CHEBI:28097 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.3 c1ccc(cc1)F CHEBI:5115 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.3 c1ccc(cc1)N CHEBI:17296 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 c1ccc(cc1)O CHEBI:15882 [1,0,0,0,0,0|0,0,0]=1 38 B7R1.3 c1ccc(cc1)S CHEBI:48498 [1,0,0,0,0,0|0,1,0]=2 39 B7R1.3 c1ccc(cc1)[Hg+] CHEBI:30787 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.3 c1ccc(cc1)[Hg] CHEBI:49819 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 c1ccc(cc1)[NH] CHEBI:48372 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 c1ccc(cc1)[O+] CHEBI:52245 [1,0,0,0,0,0|0,0,1]=2 43 B7R1.3 c1ccc(cc1)[O-] CHEBI:50526 [1,0,0,0,0,0|0,0,1]=2 44 B7R1.3 c1ccc(cc1)[O-] CHEBI:52476 [1,0,0,0,0,0|0,0,1]=2 45 B7R1.3 c1ccnc(c1)Br CHEBI:51574 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 c1ccnc(c1)Cl CHEBI:39174 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 c1ccnc(c1)O CHEBI:16540 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.3 c1ccnc(c1)S CHEBI:45223 [1,0,0,0,0,0|1,1,0]=3 49 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [1,0,0,0,0,0|1,0,1]=3 50 B7R1.3 c1cnc(nc1)N CHEBI:38618 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.3 c1cnc(nc1)O CHEBI:53577 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 c1cnc(nc1)S CHEBI:53576 [1,0,0,0,0,0|2,1,0]=4 53 B7R1.3 c1cnccc1Br CHEBI:51576 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 c1cnccc1N CHEBI:34385 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 c1cnccc1O CHEBI:87614 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.3 c1cncnc1N CHEBI:38616 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 c1coccc1=O CHEBI:37966 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [0,1,0,0,0,0|1,0,0]=2 59 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [0,1,0,0,0,0|1,0,0]=2 60 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [0,1,0,0,0,0|1,0,0]=2 61 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [0,1,0,0,0,0|1,0,0]=2 62 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [0,1,0,0,0,0|1,0,0]=2 63 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [0,1,0,0,0,0|0,1,0]=2 64 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [0,1,0,0,0,0|1,0,0]=2 66 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [0,1,0,0,0,0|1,0,0]=2 67 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [0,1,0,0,0,0|0,0,1]=2 68 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [0,1,0,0,0,0|0,0,0]=1 69 B9R1.1 c1cc(ccc1NN)Cl CHEBI:53660 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.69 C1=CC(=O)C(=CC1=O)O CHEBI:18400 [0,1,0,0,0,0|0,0,2]=3 71 B9R1.69 C1=CC(=O)C(=CC1=O)[O-] CHEBI:58474 [0,1,0,0,0,0|0,0,2]=3 72 B9R1.69 Cc1cc(ccc1N)N CHEBI:53619 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.69 Cc1cc(ccc1N)O CHEBI:55546 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.69 Cc1cc(ccc1O)Cl CHEBI:1800 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.69 Cc1cc(ccc1O)O CHEBI:133842 [0,1,0,0,0,0|0,0,0]=1 76 B9R1.69 Cc1ccc(c(c1)C)C CHEBI:34039 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.69 Cc1ccc(c(c1)C)N CHEBI:27840 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.69 Cc1ccc(c(c1)N)C CHEBI:518305 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.69 Cc1ccc(c(c1)O)O CHEBI:17254 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.69 Cc1ccc(cc1C)N CHEBI:39901 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.69 Cc1ccc(cc1C)O CHEBI:39839 [0,1,0,0,0,0|1,0,0]=2 82 B9R1.69 Cc1ccc(cc1Cl)N CHEBI:37824 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.69 Cc1ccc(cc1N)N CHEBI:34237 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)O CHEBI:29115 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.69 c1cc(c(cc1Br)Cl)O CHEBI:38852 [0,1,0,0,0,0|1,0,0]=2 86 B9R1.69 c1cc(c(cc1Cl)Cl)Cl CHEBI:28222 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.69 c1cc(c(cc1Cl)Cl)N CHEBI:46635 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.69 c1cc(c(cc1Cl)Cl)O CHEBI:16738 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.69 c1cc(c(cc1Cl)N)Cl CHEBI:34245 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.69 c1cc(c(cc1Cl)O)Cl CHEBI:27929 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.69 c1cc(c(cc1Cl)O)N CHEBI:75051 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.69 c1cc(c(cc1Cl)O)O CHEBI:27772 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.69 c1cc(c(cc1N)Cl)Cl CHEBI:16767 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.69 c1cc(c(cc1N)Cl)N CHEBI:76597 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.69 c1cc(c(cc1N)Cl)N CHEBI:76598 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.69 c1cc(c(cc1N)N)N CHEBI:29148 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.69 c1cc(c(cc1O)Cl)O CHEBI:27675 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.69 c1cc(c(cc1O)N)O CHEBI:13769 [0,1,0,0,0,0|0,0,0]=1 99 B9R1.69 c1cc(c(cc1O)O)O CHEBI:16971 [0,1,0,0,0,0|0,0,0]=1 100 B9R1.69 c1cc(c(cc1[NH3+])Cl)[NH3+] CHEBI:76599 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.69 c1cc(nc(c1O)O)O CHEBI:16683 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.6 C(=C/C(=O)O)/C(=O)N CHEBI:29045 [0,0,1,0,0,0|2,0,1]=4 103 B7R0.6 C(=C/C(=O)O)/C(=O)O CHEBI:18300 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.6 C(=C/C(=O)[O-])/C(=O)O CHEBI:37156 [0,0,1,0,0,0|2,0,1]=4 105 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:18012 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:22958 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:91084 [0,0,1,0,0,0|2,0,0]=3 108 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:115087 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:37154 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:37155 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.6 CC(=O)\C=C/C(=O)O CHEBI:28993 [0,0,1,0,0,0|1,0,2]=4 112 B7R1.2 C1=CC(=O)NC1=O CHEBI:16072 [0,0,0,0,1,0|1,0,2]=4 113 B7R1.2 C1=CC(=O)OC1=O CHEBI:474859 [0,0,0,0,1,0|1,0,2]=4 114 B7R1.2 C=C1C=CC(=O)O1 CHEBI:28906 [0,0,0,0,1,0|2,0,1]=4 115 B7R1.2 Cc1cc(no1)O CHEBI:5827 [0,0,0,0,1,0|3,0,0]=4 116 B6R0.4 C=C\C=C\C(=O)O CHEBI:35964 [1,0,1,0,0,0|1,0,0]=3 117 B6R0.4 C=C\C=C\C(=O)O CHEBI:37331 [1,0,1,0,0,0|1,0,0]=3 118 B6R0.4 C=C\C=C\C(=O)[O-] CHEBI:37322 [1,0,1,0,0,0|1,0,1]=4 119 B6R1.1 C1=CC#CC=C1 CHEBI:33668 [2,0,0,0,0,0|0,0,2]=4 120 B6R1.1 C1=COC=CO1 CHEBI:134044 [2,0,0,0,0,0|2,0,0]=4 121 B6R1.1 C1C=CC=CO1 CHEBI:35592 [2,0,0,0,0,0|1,0,1]=4 122 B6R1.1 C1C=CCC=C1 CHEBI:37611 [2,0,0,0,0,0|0,0,2]=4 123 B6R1.1 C1C=COC=C1 CHEBI:35593 [2,0,0,0,0,0|1,0,1]=4 124 B6R1.1 C1CC=CC=C1 CHEBI:37610 [2,0,0,0,0,0|0,0,2]=4 125 B6R1.1 c1cc[o+]cc1 CHEBI:36120 [2,0,0,0,0,0|1,0,0]=3 126 B6R1.1 c1ccccc1 CHEBI:16716 [2,0,0,0,0,0|0,0,0]=2 127 B6R1.1 c1ccncc1 CHEBI:16227 [2,0,0,0,0,0|1,0,0]=3 128 B6R1.1 c1ccnnc1 CHEBI:30954 [2,0,0,0,0,0|2,0,0]=4 129 B6R1.1 c1cnccn1 CHEBI:30953 [2,0,0,0,0,0|2,0,0]=4 130 B6R1.1 c1cncnc1 CHEBI:16898 [2,0,0,0,0,0|2,0,0]=4 131 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [0,1,1,0,0,0|2,0,0]=4 132 B8R0.8 C\C=C/C=C(/C(=O)[O-])\O CHEBI:63693 [0,1,1,0,0,0|2,0,0]=4 133 B8R0.23 C(=C(\C(=O)O)/O)/C(=O)O CHEBI:28394 [0,1,1,0,0,0|2,0,0]=4 134 B8R0.23 C\C(=C/C(=O)O)\C(=O)O CHEBI:16600 [0,1,1,0,0,0|2,0,0]=4 135 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CHEBI:17626 [0,1,1,0,0,0|2,0,0]=4 136 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [1,1,0,0,0,0|1,0,0]=3 137 B8R1.2 CCc1ccccc1 CHEBI:16101 [1,1,0,0,0,0|1,0,0]=3 138 B8R1.2 CNc1ccccc1 CHEBI:15733 [1,1,0,0,0,0|1,0,0]=3 139 B8R1.2 COC1=CC#CC=C1 CHEBI:33831 [1,1,0,0,0,0|0,0,2]=4 140 B8R1.2 COC1=CC=CC#C1 CHEBI:33826 [1,1,0,0,0,0|0,0,2]=4 141 B8R1.2 COc1ccccc1 CHEBI:16579 [1,1,0,0,0,0|0,0,0]=2 142 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [1,1,0,0,0,0|1,0,0]=3 143 B8R1.2 c1cc(cnc1)C#N CHEBI:86556 [1,1,0,0,0,0|2,0,0]=4 144 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [1,1,0,0,0,0|1,0,1]=4 145 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [1,1,0,0,0,0|2,0,0]=4 146 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [1,1,0,0,0,0|1,0,0]=3 147 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [1,1,0,0,0,0|0,0,1]=3 148 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [1,1,0,0,0,0|1,0,0]=3 149 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [1,1,0,0,0,0|1,0,0]=3 150 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [1,1,0,0,0,0|1,0,0]=3 151 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [1,1,0,0,0,0|0,0,0]=2 152 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [1,1,0,0,0,0|1,0,0]=3 153 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [1,1,0,0,0,0|0,0,1]=3 154 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [1,1,0,0,0,0|1,0,0]=3 155 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [1,1,0,0,0,0|0,0,0]=2 156 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [1,1,0,0,0,0|0,0,0]=2 157 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [1,1,0,0,0,0|0,0,1]=3 158 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [1,1,0,0,0,0|1,0,0]=3 159 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [1,1,0,0,0,0|1,0,0]=3 160 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [1,1,0,0,0,0|1,0,0]=3 161 B8R1.2 c1ccnc(c1)C#N CHEBI:27837 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [1,1,0,0,0,0|1,0,1]=4 163 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.4 Cc1cccc(c1)C CHEBI:28488 [1,1,0,0,0,0|1,0,0]=3 166 B8R1.4 Cc1cccc(c1)O CHEBI:17231 [1,1,0,0,0,0|0,0,0]=2 167 B8R1.4 Cc1cccc(n1)C CHEBI:32548 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.4 c1c(cncc1Br)Br CHEBI:51593 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.4 c1cc(cc(c1)Br)Br CHEBI:37151 [1,1,0,0,0,0|1,0,0]=3 170 B8R1.4 c1cc(cc(c1)Cl)Cl CHEBI:36693 [1,1,0,0,0,0|1,0,0]=3 171 B8R1.4 c1cc(cc(c1)Cl)O CHEBI:38855 [1,1,0,0,0,0|0,0,0]=2 172 B8R1.4 c1cc(cc(c1)F)F CHEBI:38584 [1,1,0,0,0,0|1,0,0]=3 173 B8R1.4 c1cc(cc(c1)F)N CHEBI:27873 [1,1,0,0,0,0|1,0,0]=3 174 B8R1.4 c1cc(cc(c1)I)O CHEBI:33439 [1,1,0,0,0,0|0,0,0]=2 175 B8R1.4 c1cc(cc(c1)N)N CHEBI:8092 [1,1,0,0,0,0|1,0,0]=3 176 B8R1.4 c1cc(cc(c1)O)N CHEBI:28924 [1,1,0,0,0,0|0,0,0]=2 177 B8R1.4 c1cc(cc(c1)O)O CHEBI:27810 [1,1,0,0,0,0|0,0,0]=2 178 B8R1.4 c1cc(nc(c1)O)O CHEBI:17681 [1,1,0,0,0,0|1,0,0]=3 179 B8R1.4 c1cnc(cc1N)N CHEBI:51599 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.4 c1cnc(nc1O)N CHEBI:55502 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.5 C1=CC(=N)C(=O)C=C1 CHEBI:55409 [1,1,0,0,0,0|0,0,1]=3 182 B8R1.5 C1=CC(=O)C(=O)C=C1 CHEBI:17253 [1,1,0,0,0,0|0,0,1]=3 183 B8R1.5 C1=CC(C(C=C1)O)O CHEBI:18887 [1,1,0,0,0,0|0,0,2]=4 184 B8R1.5 C1=C[C@@H]([C@H](C=C1)O)O CHEBI:12855 [1,1,0,0,0,0|0,0,2]=4 185 B8R1.5 C1=C[C@H]([C@@H](C=C1)O)O CHEBI:10702 [1,1,0,0,0,0|0,0,2]=4 186 B8R1.5 C1=C[C@H]([C@H](C=C1)O)O CHEBI:16190 [1,1,0,0,0,0|0,0,2]=4 187 B8R1.5 C=C1C=CC=CC1=N CHEBI:52415 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.5 C=C1C=CC=CC1=O CHEBI:52409 [1,1,0,0,0,0|0,0,1]=3 189 B8R1.5 C=c1ccccc1=C CHEBI:52411 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.5 Cc1cccc[n+]1[O-] CHEBI:35578 [1,1,0,0,0,0|1,0,1]=4 191 B8R1.5 Cc1ccccc1C CHEBI:28063 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.5 Cc1ccccc1I CHEBI:39813 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.5 Cc1ccccc1N CHEBI:66892 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.5 Cc1ccccc1O CHEBI:28054 [1,1,0,0,0,0|0,0,0]=2 195 B8R1.5 c1c[nH]cc(c1=O)O CHEBI:28630 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.5 c1cc(c(nc1)O)O CHEBI:131454 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.5 c1cc[n+](c(c1)S)[O-] CHEBI:36584 [1,1,0,0,0,0|1,0,1]=4 198 B8R1.5 c1ccc(c(c1)Br)Br CHEBI:37152 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.5 c1ccc(c(c1)Cl)Cl CHEBI:35290 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.5 c1ccc(c(c1)F)F CHEBI:38583 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.5 c1ccc(c(c1)N)F CHEBI:27526 [1,1,0,0,0,0|1,0,0]=3 202 B8R1.5 c1ccc(c(c1)N)N CHEBI:34043 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.5 c1ccc(c(c1)N)O CHEBI:18112 [1,1,0,0,0,0|0,0,0]=2 204 B8R1.5 c1ccc(c(c1)N)S CHEBI:91019 [1,1,0,0,0,0|0,1,0]=3 205 B8R1.5 c1ccc(c(c1)O)Cl CHEBI:47083 [1,1,0,0,0,0|0,0,0]=2 206 B8R1.5 c1ccc(c(c1)O)I CHEBI:16706 [1,1,0,0,0,0|0,0,0]=2 207 B8R1.5 c1ccc(c(c1)O)O CHEBI:18135 [1,1,0,0,0,0|0,0,0]=2 208 B8R1.5 c1ccc(c(c1)O)[O-] CHEBI:50524 [1,1,0,0,0,0|0,0,0]=2 209 B8R1.5 c1ccc(c(c1)[O-])[O-] CHEBI:32402 [1,1,0,0,0,0|0,0,1]=3 210 B8R1.5 c1ccn(c(=S)c1)O CHEBI:36578 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.5 c1cncc(c1I)N CHEBI:132363 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.5 c1cncc(c1O)O CHEBI:29053 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.5 c1cocc(c1=O)Br CHEBI:52506 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [0,2,0,0,0,0|1,0,0]=3 215 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [0,2,0,0,0,0|1,0,0]=3 216 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [0,2,0,0,0,0|0,0,0]=2 217 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [0,2,0,0,0,0|1,0,0]=3 218 B10R1.1 Cc1ccc(cc1)N=C=O CHEBI:53732 [0,2,0,0,0,0|1,0,1]=4 219 B10R1.1 c1cc(ccc1CC#N)Cl CHEBI:17346 [0,2,0,0,0,0|2,0,0]=4 220 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [0,2,0,0,0,0|1,0,0]=3 221 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [0,2,0,0,0,0|0,0,1]=3 222 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [0,2,0,0,0,0|1,0,0]=3 223 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [0,2,0,0,0,0|0,0,0]=2 224 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [0,2,0,0,0,0|1,0,0]=3 225 B10R1.3 COc1ccc(cc1)CN CHEBI:49837 [0,2,0,0,0,0|1,0,0]=3 226 B10R1.3 c1cc(ccc1CO)NN CHEBI:16131 [0,2,0,0,0,0|1,0,0]=3 227 B10R1.13 B(c1ccc(cc1)F)(O)O CHEBI:48661 [0,2,0,0,0,0|1,0,0]=3 228 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,2,0,0,0,0|0,0,1]=3 229 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [0,2,0,0,0,0|2,0,0]=4 230 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [0,2,0,0,0,0|0,0,0]=2 231 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [0,2,0,0,0,0|2,0,0]=4 232 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [0,2,0,0,0,0|0,0,1]=3 233 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [0,2,0,0,0,0|1,0,0]=3 234 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [0,2,0,0,0,0|1,0,1]=4 235 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [0,2,0,0,0,0|2,0,0]=4 236 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [0,2,0,0,0,0|1,0,1]=4 237 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [0,2,0,0,0,0|1,0,1]=4 238 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [0,2,0,0,0,0|1,0,0]=3 239 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [0,2,0,0,0,0|1,0,0]=3 240 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [0,2,0,0,0,0|1,0,0]=3 241 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [0,2,0,0,0,0|1,0,0]=3 242 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [0,2,0,0,0,0|0,0,0]=2 243 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [0,2,0,0,0,0|1,0,0]=3 244 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [0,2,0,0,0,0|1,0,1]=4 245 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [0,2,0,0,0,0|1,0,1]=4 246 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [0,2,0,0,0,0|1,0,1]=4 247 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [0,2,0,0,0,0|0,0,1]=3 248 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [0,2,0,0,0,0|0,0,1]=3 249 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [0,2,0,0,0,0|1,0,1]=4 250 B10R1.13 c1cc(ccc1N)[As](O)O CHEBI:50022 [0,2,0,0,0,0|1,0,0]=3 251 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CHEBI:17064 [0,2,0,0,0,0|1,0,1]=4 252 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [0,2,0,0,0,0|0,0,1]=3 253 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CHEBI:57917 [0,2,0,0,0,0|0,0,2]=4 254 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [0,2,0,0,0,0|1,0,0]=3 256 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [0,2,0,0,0,0|1,0,1]=4 257 B10R1.25 Cc1cc(ccc1SC)O CHEBI:38681 [0,2,0,0,0,0|0,1,0]=3 258 B10R1.25 c1cc(c(cc1Cl)Cl)CO CHEBI:48220 [0,2,0,0,0,0|1,0,0]=3 259 B10R1.25 c1cc(c(cc1O)O)C=O CHEBI:50198 [0,2,0,0,0,0|0,0,1]=3 260 B10R1.176 c1c(occ(c1=O)O)CO CHEBI:43572 [0,2,0,0,0,0|1,0,0]=3 261 B10R1.176 c1cc(c(cc1C=O)N)O CHEBI:78237 [0,2,0,0,0,0|0,0,1]=3 262 B10R1.176 c1cc(c(cc1C=O)O)O CHEBI:50205 [0,2,0,0,0,0|0,0,1]=3 263 B10R1.22 Cc1c(cc(cc1N)N)N CHEBI:19332 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.22 Cc1c(cc(cc1O)O)O CHEBI:19336 [0,2,0,0,0,0|1,0,0]=3 265 B10R1.22 Cc1cc(c(c(c1)O)C)C CHEBI:38570 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.22 Cc1cc(cc(c1C)C)O CHEBI:38896 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.22 Cc1cc(cc(c1Cl)C)O CHEBI:34393 [0,2,0,0,0,0|1,0,0]=3 268 B10R1.22 Cc1cc(cc(c1N)C)O CHEBI:55545 [0,2,0,0,0,0|1,0,0]=3 269 B10R1.22 Cc1cc(cc(c1O)O)Cl CHEBI:28288 [0,2,0,0,0,0|1,0,0]=3 270 B10R1.22 Cc1cc(cc(c1O)O)O CHEBI:17185 [0,2,0,0,0,0|0,0,0]=2 271 B10R1.22 c1c(cc(c(c1Br)O)Br)Br CHEBI:47696 [0,2,0,0,0,0|1,0,0]=3 272 B10R1.22 c1c(cc(c(c1Br)O)Br)O CHEBI:19390 [0,2,0,0,0,0|0,0,0]=2 273 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Cl CHEBI:36696 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl CHEBI:28755 [0,2,0,0,0,0|1,0,0]=3 275 B10R1.22 c1c(cc(c(c1Cl)O)Cl)O CHEBI:27633 [0,2,0,0,0,0|0,0,0]=2 276 B10R1.22 c1c(cc(c(c1O)O)Cl)Cl CHEBI:15788 [0,2,0,0,0,0|1,0,0]=3 277 B10R1.22 c1c(cc(c(c1O)O)O)O CHEBI:16746 [0,2,0,0,0,0|0,0,0]=2 278 B10R1.30 c1cc(c(cc1N)C=O)O CHEBI:20550 [0,2,0,0,0,0|1,0,0]=3 279 B10R1.30 c1cc(c(cc1O)C=O)O CHEBI:28508 [0,2,0,0,0,0|0,0,0]=2 280 B10R1.118 CC1=CC(=O)C(=CC1=O)O CHEBI:81667 [0,2,0,0,0,0|1,0,0]=3 281 B10R1.118 CC1=CC(=O)C(=CC1=O)[O-] CHEBI:88190 [0,2,0,0,0,0|0,0,2]=4 282 B10R1.118 Cc1cc(c(cc1C)C)C CHEBI:38978 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.118 Cc1cc(c(cc1N)C)N CHEBI:53613 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl CHEBI:36697 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O CHEBI:28520 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.118 c1c(c(cc(c1Cl)O)Cl)O CHEBI:27545 [0,2,0,0,0,0|0,0,0]=2 287 B10R1.119 Cc1ccc(c(c1C)C)C CHEBI:38997 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.119 c1cc(c(c(c1Cl)Cl)Cl)Cl CHEBI:18855 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.119 c1cc(c(c(c1Cl)O)O)Cl CHEBI:28318 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.119 c1cc(c(c(c1Cl)O)[O-])Cl CHEBI:77767 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.119 c1cc(c(c(c1O)O)Cl)Cl CHEBI:90882 [0,2,0,0,0,0|1,0,0]=3 292 B6R0.2 C=C(CC(=O)O)O CHEBI:131367 [0,0,1,0,1,0|1,0,1]=4 293 B6R0.2 C\C(=C\C(=O)O)\O CHEBI:38871 [0,0,1,0,1,0|1,0,1]=4 294 B6R1.2 C=C1C=CC=C1 CHEBI:51999 [1,0,0,0,1,0|1,0,0]=3 295 B6R1.2 Cc1cccs1 CHEBI:35849 [1,0,0,0,1,0|2,0,0]=4 296 B6R1.2 Cc1ccsc1 CHEBI:37992 [1,0,0,0,1,0|2,0,0]=4 297 B6R1.2 c1ccs(=O)c1 CHEBI:36603 [1,0,0,0,1,0|1,0,1]=4 298 B8R0.28 C(\C=C/C(=O)O)C(=O)O CHEBI:50429 [0,0,1,0,0,1|2,0,0]=4 299 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:15670 [0,0,1,0,0,1|2,0,0]=4 300 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:24309 [0,0,1,0,0,1|2,0,0]=4