0 B10R1.13 B(c1ccc(cc1)F)(O)O CHEBI:48661 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 CC1=CC=C(CC1)C(=C)C CHEBI:89242 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.13 CC1=CC=C(CC1)C(C)C CHEBI:10334 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.13 CC1=CCC(=C(C)C)CC1 CHEBI:9457 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.13 CC1=CCC(=CC1)C(C)C CHEBI:10577 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.13 CC1=CCC(C=C1)C(C)C CHEBI:50035 [0,0,0,0,0,0|1,0,3]=4 9 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CHEBI:301 [0,0,0,0,0,0|1,0,3]=4 10 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CHEBI:367 [0,0,0,0,0,0|1,0,3]=4 11 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.13 c1cc(ccc1N)[As](O)O CHEBI:50022 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CHEBI:17064 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CHEBI:57917 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.13 c1cc(ncc1C(=O)N)N CHEBI:74514 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [1,0,0,0,0,0|0,0,0]=1 45 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [1,0,0,0,0,0|0,0,2]=3 46 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.1 c1cc(ccc1NN)Cl CHEBI:53660 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [1,0,0,0,0,0|1,0,2]=4 52 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [1,0,0,0,0,0|0,0,2]=3 53 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [1,0,0,0,0,0|0,0,0]=1 54 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.6 CC(c1ccccc1)N CHEBI:670 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.6 CC(c1ccccc1)O CHEBI:669 [1,0,0,0,0,0|0,0,2]=3 57 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [1,0,0,0,0,0|0,0,2]=3 61 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [1,0,0,0,0,0|0,0,2]=3 63 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 c1cnc(cn1)C(=O)N CHEBI:45285 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.6 c1cnc(cn1)C(=O)O CHEBI:71311 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.6 c1cnc(cn1)C(=O)[O-] CHEBI:71266 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.3 CC(=O)c1ccc(cc1)OC CHEBI:86567 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.3 CC(C)c1ccc(cc1)C=O CHEBI:28671 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.3 CC(c1ccc(cc1)OC)O CHEBI:86566 [0,1,0,0,0,0|0,0,2]=3 88 B11R1.3 CN(C)c1ccc(cc1)C=O CHEBI:91114 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.3 CN(C)c1ccc(cc1)N=O CHEBI:59990 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.3 CN(C)c1ccc(cc1)NO CHEBI:59991 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.3 CN(C)c1ccc(cc1)[N+]#N CHEBI:35095 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.3 CN(C)c1ccc(cc1)[N+]#N CHEBI:38898 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.3 COc1ccc(cc1)C(=O)O CHEBI:40813 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.3 COc1ccc(cc1)C(=O)[O-] CHEBI:16639 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CHEBI:1911 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl CHEBI:28420 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O CHEBI:49644 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.3 c1cc(ccc1C(=O)[O-])[N+]#N CHEBI:64443 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] CHEBI:66926 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] CHEBI:62822 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] CHEBI:87406 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] CHEBI:41214 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] CHEBI:66931 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] CHEBI:64469 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.19 CC(C)(C)c1ccc(cc1)O CHEBI:34444 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.19 C[Si](C)(C)c1ccc(cc1)O CHEBI:39394 [0,1,0,0,0,0|2,1,0]=4 107 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N CHEBI:34435 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O CHEBI:27849 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] CHEBI:27023 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.19 c1cc(ccc1N)S(=O)(=O)N CHEBI:45373 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.19 c1cc(ccc1N)S(=O)(=O)O CHEBI:27500 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.19 c1cc(ccc1N)S(=O)(=O)[O-] CHEBI:20313 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.19 c1cc(ccc1N)[As](=O)(O)O CHEBI:49477 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.19 c1cc(ccc1N)[As](=O)(O)[O-] CHEBI:36048 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.19 c1cc(ccc1N)[As](=O)(O)[O-] CHEBI:36049 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.19 c1cc(ccc1O)S(=O)(=O)O CHEBI:32354 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.19 c1cc(ccc1S(=O)(=O)O)[Hg] CHEBI:49823 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.21 CC(=O)c1ccc(c(c1)O)O CHEBI:19868 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.21 Cc1c(cc(cn1)C(=O)[O-])O CHEBI:57528 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.21 Cc1ccc(cc1C)C(=O)[O-] CHEBI:64820 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] CHEBI:66891 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.21 Cc1ccc(cc1O)C(C)C CHEBI:3440 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.21 Cn1cc(ccc1=O)C(=O)N CHEBI:27410 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.21 c1cc(c(cc1C(=O)[O-])Cl)Cl CHEBI:83287 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.21 c1cc(c(cc1C(=O)[O-])N)O CHEBI:60005 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O CHEBI:36241 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N CHEBI:67116 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O CHEBI:16318 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)[O-] CHEBI:57730 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,1,0,0,0,0|0,0,0]=1 137 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.22 [*]OC(=O)c1ccc(cc1)O CHEBI:79323 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.166 CC(=O)c1ccc(cc1O)O CHEBI:18414 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 CHEBI:17304 [0,1,0,0,0,0|1,0,2]=4 146 B11R1.166 Cc1cc(ccc1C(=O)C)O CHEBI:87314 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O CHEBI:38683 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.166 Cc1ccc(c(c1)C)C(=O)[O-] CHEBI:64812 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.166 Cc1ccc(c(c1)O)C(C)C CHEBI:27607 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CHEBI:30748 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)[O-] CHEBI:28995 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CHEBI:59472 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.166 c1cc(nc(c1C(=O)O)O)O CHEBI:49087 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.166 c1cc(nc(c1C(=O)[O-])O)O CHEBI:58780 [0,1,0,0,0,0|3,0,0]=4 158 B9R0.1 CC(=C)\C=C\C=C(/C)\C=C CHEBI:87600 [0,0,1,0,0,0|1,0,0]=2 159 B9R0.1 CC(=CC\C=C(/C)\C=C)C CHEBI:64280 [0,0,1,0,0,0|1,0,1]=3 160 B9R0.1 CC(=CC\C=C(\C)/C=C)C CHEBI:10436 [0,0,1,0,0,0|1,0,1]=3 161 B9R0.1 CC(=CC\C=C(\C)/C=C)C CHEBI:87574 [0,0,1,0,0,0|1,0,1]=3 162 B9R0.1 CC(=O)\C=C\C=C(/C)\C=O CHEBI:1283 [0,0,1,0,0,0|1,0,0]=2 163 B9R0.1 C\C(=C/C=C/C(=O)C)\CO CHEBI:53533 [0,0,1,0,0,0|1,0,1]=3 164 B11R2.34 c1cc(ccc1C2CC2)Br CHEBI:87498 [0,0,0,1,0,0|2,0,1]=4 165 B9R1.35 Cc1cc(n[nH]1)C(=O)O CHEBI:74739 [0,0,0,0,1,0|3,0,0]=4 166 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [0,0,0,0,1,0|1,0,0]=2 167 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [0,0,0,0,1,0|3,0,0]=4 168 B9R1.35 Cn1cc(cn1)C(=O)O CHEBI:74741 [0,0,0,0,1,0|3,0,0]=4 169 B9R1.35 Cn1ccc(n1)C(=O)O CHEBI:74738 [0,0,0,0,1,0|3,0,0]=4 170 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [0,0,0,0,1,0|3,0,0]=4 171 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [0,0,0,0,1,0|3,0,0]=4 172 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [0,0,0,0,1,0|3,0,0]=4 173 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CHEBI:29132 [0,0,0,0,0,1|1,0,0]=2 174 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CHEBI:116915 [0,0,0,0,0,1|1,0,0]=2 175 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [0,0,0,0,0,1|1,0,0]=2 176 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [0,0,0,0,0,1|1,0,0]=2 177 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [0,0,0,0,0,1|2,0,0]=3 178 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [0,0,0,0,0,1|2,0,0]=3 179 B11R1.20 c1cc(ccc1CC(=O)[O-])Cl CHEBI:16237 [0,0,0,0,0,1|2,0,0]=3 180 B11R1.20 c1cc(ccc1CC(=O)[O-])O CHEBI:48999 [0,0,0,0,0,1|2,0,0]=3 181 B11R1.20 c1cc(ccc1NC(=S)N)Br CHEBI:34391 [0,0,0,0,0,1|2,1,0]=4 182 B8R0.7 C=C\C=C\C=C/C(=O)O CHEBI:50487 [1,0,1,0,0,0|1,0,0]=3 183 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50483 [1,0,1,0,0,0|1,0,0]=3 184 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50484 [1,0,1,0,0,0|1,0,0]=3 185 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [1,0,1,0,0,0|2,0,0]=4 186 B8R0.8 C\C=C/C=C(/C(=O)[O-])\O CHEBI:63693 [1,0,1,0,0,0|2,0,0]=4 187 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [2,0,0,0,0,0|0,0,1]=3 188 B8R1.2 CCc1ccccc1 CHEBI:16101 [2,0,0,0,0,0|0,0,1]=3 189 B8R1.2 CNc1ccccc1 CHEBI:15733 [2,0,0,0,0,0|1,0,0]=3 190 B8R1.2 COc1ccccc1 CHEBI:16579 [2,0,0,0,0,0|1,0,0]=3 191 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [2,0,0,0,0,0|1,0,1]=4 192 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [2,0,0,0,0,0|1,0,1]=4 194 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [2,0,0,0,0,0|0,0,0]=2 195 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [2,0,0,0,0,0|1,0,1]=4 196 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [2,0,0,0,0,0|1,0,1]=4 197 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [2,0,0,0,0,0|1,0,1]=4 198 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [2,0,0,0,0,0|0,0,2]=4 199 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [2,0,0,0,0,0|1,0,1]=4 200 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [2,0,0,0,0,0|1,0,0]=3 201 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [2,0,0,0,0,0|1,0,1]=4 203 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [2,0,0,0,0,0|1,0,1]=4 204 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [2,0,0,0,0,0|1,0,0]=3 209 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [2,0,0,0,0,0|1,0,0]=3 210 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.3 C=C1C=CC(=N)C=C1 CHEBI:52416 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [2,0,0,0,0,0|0,0,1]=3 213 B8R1.3 C=c1ccc(=C)cc1 CHEBI:52410 [2,0,0,0,0,0|0,0,1]=3 214 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [2,0,0,0,0,0|0,0,0]=2 215 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [2,0,0,0,0,0|0,0,1]=3 217 B8R1.3 c1cc(ccc1Br)Br CHEBI:37150 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.3 c1cc(ccc1Cl)Cl CHEBI:28618 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.3 c1cc(ccc1F)F CHEBI:38585 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.3 c1cc(ccc1N)Cl CHEBI:20331 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.3 c1cc(ccc1N)F CHEBI:28546 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.3 c1cc(ccc1N)N CHEBI:51403 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.3 c1cc(ccc1N)O CHEBI:17602 [2,0,0,0,0,0|1,0,1]=4 224 B8R1.3 c1cc(ccc1O)Br CHEBI:47248 [2,0,0,0,0,0|1,0,1]=4 225 B8R1.3 c1cc(ccc1O)Cl CHEBI:28078 [2,0,0,0,0,0|1,0,1]=4 226 B8R1.3 c1cc(ccc1O)I CHEBI:43521 [2,0,0,0,0,0|1,0,1]=4 227 B8R1.3 c1cc(ccc1O)O CHEBI:17594 [2,0,0,0,0,0|1,0,1]=4 228 B8R1.3 c1cc(ccc1O)O CHEBI:26491 [2,0,0,0,0,0|1,0,1]=4 229 B8R1.3 c1cc(ccc1O)[O] CHEBI:17977 [2,0,0,0,0,0|1,0,1]=4 230 B10R0.82 C\C(=C\C=C(/C(=O)O)\O)\C=O CHEBI:28027 [0,1,1,0,0,0|2,0,0]=4 231 B10R0.98 CC(=O)C=CC=C(C(=O)O)O CHEBI:90886 [0,1,1,0,0,0|2,0,0]=4 232 B10R0.98 CC(=O)C=CC=C(C(=O)[O-])O CHEBI:90887 [0,1,1,0,0,0|2,0,0]=4 233 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.1 Cc1ccc(cc1)N=C=O CHEBI:53732 [1,1,0,0,0,0|0,0,1]=3 238 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.3 COc1ccc(cc1)CN CHEBI:49837 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.3 c1cc(ccc1CO)NN CHEBI:16131 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 Cc1cc(ccc1SC)O CHEBI:38681 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.25 c1cc(c(cc1O)O)C=O CHEBI:50198 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.176 c1cc(c(cc1C=O)N)O CHEBI:78237 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.176 c1cc(c(cc1C=O)O)O CHEBI:50205 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [1,1,0,0,0,0|0,0,0]=2 249 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [1,1,0,0,0,0|0,0,1]=3 255 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [1,1,0,0,0,0|0,0,0]=2 256 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [1,1,0,0,0,0|0,0,2]=4 259 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [1,1,0,0,0,0|0,0,2]=4 260 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.15 c1cnccc1C(=O)NN CHEBI:6030 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.28 CC(C)(c1ccccc1)O CHEBI:131607 [1,1,0,0,0,0|0,0,2]=4 263 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85062 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85318 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.28 c1ccc(cc1)S(=O)(=O)O CHEBI:64455 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] CHEBI:64457 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.28 c1ccc(cc1)[As](=O)(O)O CHEBI:29851 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.28 c1ccc(cc1)[As](=O)(O)[O-] CHEBI:64449 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [1,1,0,0,0,0|0,0,0]=2 271 B10R1.61 CC(C)c1ccccc1O CHEBI:38506 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.61 Cc1c(cccn1)C(=O)N CHEBI:68440 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.61 Cc1ccccc1C(=O)[O-] CHEBI:28872 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.61 Cc1ccccc1[N+](=O)[O-] CHEBI:33098 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.61 c1cc(c(nc1)C(=O)O)O CHEBI:64342 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl CHEBI:60719 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.61 c1ccc(c(c1)C(=O)[O-])Cl CHEBI:28303 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.61 c1ccc(c(c1)C(=O)[O-])F CHEBI:27839 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.61 c1ccc(c(c1)C(=O)[O-])I CHEBI:59122 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.61 c1ccc(c(c1)C(=O)[O-])O CHEBI:30762 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.61 c1ccc(c(c1)C(=O)[O-])S CHEBI:59127 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.61 c1ccc(c(c1)C(=S)S)O CHEBI:37999 [1,1,0,0,0,0|1,1,0]=4 294 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O CHEBI:16260 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])[O-] CHEBI:57703 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.61 c1cncc(c1N)C(=O)O CHEBI:68577 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.113 C[n+]1cccc(c1)C(=O)N CHEBI:16797 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.113 C[n+]1cccc(c1)C(=O)O CHEBI:50521 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] CHEBI:18123 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.113 Cc1cccc(c1)C(=O)[O-] CHEBI:28795 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] CHEBI:39931 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.113 c1c(cncc1N)C(=O)O CHEBI:68578 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.113 c1cc(cc(c1)Cl)C(=O)[O-] CHEBI:19984 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.113 c1cc(cc(c1)F)C(=O)O CHEBI:20021 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] CHEBI:28665 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] CHEBI:67123 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.113 c1cc(cc(c1)N)C(=O)O CHEBI:42682 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] CHEBI:30761 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.113 c1cc(cc(c1)O)C(=O)O CHEBI:30764 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] CHEBI:16193 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] CHEBI:34346 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.31 c1cc(oc1CO)C(=O)O CHEBI:89118 [0,1,0,0,1,0|2,0,0]=4 316 B12R1.4 CC(=O)Oc1ccc(cc1)C=O CHEBI:86559 [0,1,0,0,0,1|0,0,1]=3 317 B12R1.4 COc1ccc(cc1)CC(=O)O CHEBI:55501 [0,1,0,0,0,1|1,0,0]=3 318 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl CHEBI:86568 [0,1,0,0,0,1|1,0,0]=3 319 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O CHEBI:47106 [0,1,0,0,0,1|2,0,0]=4 320 B12R1.19 c1cc(c(cc1CC(=O)O)O)O CHEBI:41941 [0,1,0,0,0,1|2,0,0]=4 321 B12R1.19 c1cc(c(cc1CC(=O)[O-])O)O CHEBI:17612 [0,1,0,0,0,1|2,0,0]=4 322 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl CHEBI:83464 [0,1,0,0,0,1|2,0,0]=4 323 B12R1.20 c1cc(ccc1C(=O)C(=O)O)O CHEBI:28719 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O CHEBI:58586 [0,1,0,0,0,1|2,0,0]=4 325 B12R1.20 c1cc(ccc1C(C(=O)N)N)O CHEBI:58991 [0,1,0,0,0,1|2,0,0]=4 326 B12R1.20 c1cc(ccc1C(C(=O)O)N)O CHEBI:50418 [0,1,0,0,0,1|2,0,0]=4 327 B12R1.20 c1cc(ccc1C(C(=O)O)O)O CHEBI:16388 [0,1,0,0,0,1|2,0,0]=4 328 B12R1.20 c1cc(ccc1C(C(=O)[O-])O)O CHEBI:32804 [0,1,0,0,0,1|2,0,0]=4 329 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O CHEBI:31755 [0,1,0,0,0,1|2,0,0]=4 330 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O CHEBI:32802 [0,1,0,0,0,1|2,0,0]=4 331 B12R1.20 c1cc(ccc1[C@@H](C(=O)[O-])O)O CHEBI:17210 [0,1,0,0,0,1|2,0,0]=4 332 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O CHEBI:15695 [0,1,0,0,0,1|2,0,0]=4 333 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)O CHEBI:32803 [0,1,0,0,0,1|2,0,0]=4 334 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])O)O CHEBI:27996 [0,1,0,0,0,1|2,0,0]=4 335 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])[NH3+])O CHEBI:57475 [0,1,0,0,0,1|2,0,0]=4 336 B12R1.49 COC(=O)Cc1ccc(cc1)O CHEBI:68078 [0,1,0,0,0,1|1,0,0]=3 337 B12R1.106 Cc1ccc(cc1)OS(=O)(=O)O CHEBI:82914 [0,1,0,0,0,1|2,0,0]=4 338 B12R1.106 Cc1ccc(cc1)OS(=O)(=O)[O-] CHEBI:133670 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.5 COc1ccc(cc1)C(=O)OC CHEBI:86903 [0,2,0,0,0,0|0,0,0]=2 340 B12R1.6 CC(C)(c1ccc(cc1)OC)O CHEBI:84225 [0,2,0,0,0,0|0,0,2]=4 341 B12R1.6 c1cc(ccc1CO)S(=O)(=O)O CHEBI:18312 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.6 c1cc(ccc1CO)S(=O)(=O)[O-] CHEBI:11944 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] CHEBI:48977 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.48 COc1ccc(cc1O)C(=O)O CHEBI:63798 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.48 COc1ccc(cc1O)C(=O)[O-] CHEBI:63797 [0,2,0,0,0,0|1,0,0]=3 346 B12R1.113 c1cc(ccc1C(=O)O)N=C=S CHEBI:64464 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.113 c1cc(ccc1C(=O)[O-])N=C=S CHEBI:64463 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] CHEBI:28735 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.256 CC(C)c1ccc(cc1)C(=O)O CHEBI:28122 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.256 CC(C)c1ccc(cc1)C(=O)[O-] CHEBI:25822 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.256 c1cc(ccc1C(=O)N)C(=O)N CHEBI:38802 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.256 c1cc(ccc1C(=O)N)C(=O)O CHEBI:50738 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.256 c1cc(ccc1C(=O)O)C(=O)O CHEBI:15702 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.256 c1cc(ccc1C(=O)O)C(=O)[O-] CHEBI:30801 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] CHEBI:262350 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] CHEBI:30043 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.452 c1cc(c(cc1C=O)O)C(=O)O CHEBI:20367 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.452 c1cc(c(cc1CO)O)C(=O)O CHEBI:20415 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.9 Cc1ccc(cc1)S(=O)(=O)NCl CHEBI:53782 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.9 Cc1ccc(cc1)S(=O)(=O)[N-]Cl CHEBI:53767 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.9 Cc1ccc(cc1)S(=O)(=O)[N-]Cl CHEBI:53787 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.56 CC(=O)c1ccc(c(c1)OC)O CHEBI:2781 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.56 COc1cc(ccc1O)C(=O)O CHEBI:30816 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.56 COc1cc(ccc1O)C(=O)[O-] CHEBI:132748 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.56 COc1cc(ccc1O)C(=O)[O-] CHEBI:16632 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.367 COC(=O)c1ccc(c(c1)O)O CHEBI:132366 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O CHEBI:51844 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.893 Cc1ccc(c(c1O)N)C(=O)O CHEBI:16116 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.893 Cc1ccc(c(c1O)N)C(=O)[O-] CHEBI:36558 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.1005 Cc1c(cc(cc1N)[N+](=O)[O-])N CHEBI:19389 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=O)N CHEBI:19896 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=O)O CHEBI:1395 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=O)[O-] CHEBI:27544 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.1005 c1c(cc(c(c1Br)[O-])Br)C(=O)[O-] CHEBI:57274 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)O CHEBI:53685 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)[O-] CHEBI:53686 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O CHEBI:30778 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)[O-] CHEBI:115197 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)[O-] CHEBI:16918 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.16 CCOC(=O)c1ccc(cc1)N CHEBI:116735 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.16 CCOC(=O)c1ccc(cc1)O CHEBI:31575 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O CHEBI:64344 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C CHEBI:64830 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)[O-])C CHEBI:64832 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O CHEBI:32807 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.1000 Cc1cc(cc(c1C(=O)[O-])O)O CHEBI:16162 [0,2,0,0,0,0|2,0,0]=4 387 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [1,0,0,1,0,0|0,0,2]=4 388 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [1,0,0,1,0,0|0,0,2]=4 389 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [1,0,0,1,0,0|0,0,2]=4 390 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 CHEBI:77861 [0,0,0,1,0,1|2,0,0]=4 391 B12R2.606 c1cc2c(cc1O)oc(=O)s2 CHEBI:568021 [0,0,0,1,0,1|2,0,0]=4 392 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [1,0,0,0,1,0|1,0,0]=3 393 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [1,0,0,0,1,0|1,0,0]=3 394 B8R1.7 CC(=O)n1ccnc1 CHEBI:16984 [1,0,0,0,1,0|2,0,0]=4 395 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [1,0,0,0,1,0|2,0,0]=4 396 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [1,0,0,0,1,0|2,0,0]=4 397 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [1,0,0,0,1,0|2,0,0]=4 398 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [1,0,0,0,1,0|2,0,0]=4 399 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [1,0,0,0,1,0|2,0,0]=4 400 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [1,0,0,0,1,0|2,0,0]=4 401 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [1,0,0,0,1,0|2,0,0]=4 402 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [1,0,0,0,1,0|2,0,0]=4 403 B8R1.7 c1cocc1C(=O)[O-] CHEBI:30847 [1,0,0,0,1,0|2,0,0]=4 404 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [1,0,0,0,0,1|1,0,0]=3 405 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [1,0,0,0,0,1|0,0,0]=2 406 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [1,0,0,0,0,1|0,0,0]=2 407 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [1,0,0,0,0,1|0,0,0]=2 408 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [1,0,0,0,0,1|1,0,1]=4 409 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [1,0,0,0,0,1|1,0,1]=4 410 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [1,0,0,0,0,1|1,0,1]=4 411 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [1,0,0,0,0,1|1,0,1]=4 412 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [1,0,0,0,0,1|1,0,1]=4 413 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [1,0,0,0,0,1|1,0,1]=4 414 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [1,0,0,0,0,1|1,0,0]=3 415 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [1,0,0,0,0,1|2,0,0]=4 416 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,0,0,0,0,1|1,0,0]=3 417 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,0,0,0,0,1|1,0,0]=3 418 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [1,0,0,0,0,1|1,0,0]=3 419 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [1,0,0,0,0,1|1,0,0]=3 420 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [1,0,0,0,0,1|1,1,0]=4 421 B10R1.18 c1ccc(cc1)OP(=O)O CHEBI:91048 [1,0,0,0,0,1|2,0,0]=4 422 B12R1.21 CC(=O)CCc1ccc(cc1)O CHEBI:68656 [0,0,0,0,0,2|1,0,0]=3 423 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O CHEBI:68636 [0,0,0,0,0,2|1,0,0]=3 424 B12R1.21 c1cc(ccc1CCC(=O)O)O CHEBI:32980 [0,0,0,0,0,2|2,0,0]=4 425 B12R1.21 c1cc(ccc1CCC(=O)[O-])O CHEBI:16331 [0,0,0,0,0,2|2,0,0]=4 426 B12R1.21 c1cc(ccc1NCC(=O)O)O CHEBI:55443 [0,0,0,0,0,2|2,0,0]=4 427 B12R1.21 c1cc(ccc1OCC(=O)O)Cl CHEBI:1808 [0,0,0,0,0,2|2,0,0]=4 428 B12R1.21 c1cc(ccc1OCC(=O)[O-])Cl CHEBI:28739 [0,0,0,0,0,2|2,0,0]=4 429 B12R1.21 c1cc(ccc1\C=C/C(=O)O)O CHEBI:17450 [0,0,0,0,0,2|2,0,0]=4 430 B12R1.21 c1cc(ccc1\C=C/C(=O)[O-])O CHEBI:58152 [0,0,0,0,0,2|2,0,0]=4 431 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl CHEBI:61116 [0,0,0,0,0,2|2,0,0]=4 432 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O CHEBI:32374 [0,0,0,0,0,2|2,0,0]=4 433 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O CHEBI:36090 [0,0,0,0,0,2|2,0,0]=4 434 B12R1.21 c1cc(ccc1\C=C\C(=O)[O-])O CHEBI:12876 [0,0,0,0,0,2|2,0,0]=4 435 B12R1.21 c1cc(ccc1\C=C\C(=O)[O-])O CHEBI:32373 [0,0,0,0,0,2|2,0,0]=4