0 B9R1.35 C1C(N=C(S1)N)C(=O)O CHEBI:64777 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 C1[C@@H](N=C(S1)N)C(=O)O CHEBI:64774 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 C1[C@H](N=C(S1)N)C(=O)O CHEBI:64773 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 Cc1cc(n[nH]1)C(=O)O CHEBI:74739 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 Cn1cc(cn1)C(=O)O CHEBI:74741 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 Cn1ccc(n1)C(=O)O CHEBI:74738 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 CC(=O)n1ccnc1 CHEBI:16984 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.7 c1c(scn1)C(=O)N CHEBI:132332 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [1,0,0,0,0,0|1,0,0]=2 16 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [1,0,0,0,0,0|0,1,0]=2 23 B8R1.7 c1cocc1C(=O)[O-] CHEBI:30847 [1,0,0,0,0,0|0,1,1]=3 24 B10R1.31 c1cc(oc1C=O)C(=O)O CHEBI:84206 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.31 c1cc(oc1CO)C(=O)O CHEBI:89118 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.8 C\C=C/C=C(/C(=O)[O-])\O CHEBI:63693 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.8 C\C=C/CC(=O)C(=O)O CHEBI:38352 [0,0,1,0,0,0|2,0,1]=4 29 B8R0.8 C\C=C\CC(=O)C(=O)O CHEBI:28998 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.8 C\C=C\CC(=O)C(=O)O CHEBI:38353 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.23 C(=C(\C(=O)O)/O)/C(=O)O CHEBI:28394 [0,0,1,0,0,0|2,1,0]=4 32 B8R0.23 C=C(CC(=O)O)C(=O)O CHEBI:30838 [0,0,1,0,0,0|1,1,1]=4 33 B8R0.23 CC(=O)CC(=O)C(=O)O CHEBI:2424 [0,0,1,0,0,0|1,1,1]=4 34 B8R0.23 C\C(=C/C(=O)O)\C(=O)O CHEBI:16600 [0,0,1,0,0,0|1,1,1]=4 35 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CHEBI:17626 [0,0,1,0,0,0|1,1,1]=4 36 B8R0.28 C(=C/NC(=O)N)/C(=O)O CHEBI:59890 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.28 C(=C/SC(=N)N)/C(=O)O CHEBI:35050 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.28 C(\C=C/C(=O)O)C(=O)O CHEBI:50429 [0,0,1,0,0,0|3,0,0]=4 39 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:15670 [0,0,1,0,0,0|3,0,0]=4 40 B8R0.28 C(\C=C\C(=O)O)C(=O)O CHEBI:24309 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.13 C1CC(=O)NC=C1C(=O)O CHEBI:16453 [0,0,0,0,0,1|2,0,1]=4 42 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [0,0,0,0,0,1|1,0,0]=2 44 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [0,0,0,0,0,1|1,0,1]=3 45 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [0,0,0,0,0,1|2,0,0]=3 50 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [0,0,0,0,0,1|2,0,0]=3 53 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [0,0,0,0,0,1|2,0,1]=4 54 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [0,0,0,0,0,1|2,0,1]=4 55 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [0,0,0,0,0,1|2,0,1]=4 57 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [0,0,0,0,0,1|2,0,1]=4 59 B10R1.13 c1cc(ncc1C(=O)N)N CHEBI:74514 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [0,0,0,0,0,1|2,0,0]=3 62 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [0,0,0,0,0,1|2,0,1]=4 63 B10R1.54 C/1=CC(=O)O\C1=C/C(=O)O CHEBI:38107 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)O CHEBI:11972 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)O CHEBI:18371 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.54 C1C=C(OC1=O)CC(=O)O CHEBI:18267 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.54 Cn1cc(nc1)CC(=O)O CHEBI:1606 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.113 C[n+]1cccc(c1)C(=O)N CHEBI:16797 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.113 C[n+]1cccc(c1)C(=O)O CHEBI:50521 [0,0,0,0,0,1|2,0,0]=3 70 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] CHEBI:18123 [0,0,0,0,0,1|2,0,1]=4 71 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [0,0,0,0,0,1|1,0,0]=2 72 B10R1.113 Cc1cccc(c1)C(=O)[O-] CHEBI:28795 [0,0,0,0,0,1|1,0,1]=3 73 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] CHEBI:39931 [0,0,0,0,0,1|2,0,1]=4 74 B10R1.113 c1c(cncc1N)C(=O)O CHEBI:68578 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.113 c1cc(cc(c1)Cl)C(=O)[O-] CHEBI:19984 [0,0,0,0,0,1|2,0,1]=4 77 B10R1.113 c1cc(cc(c1)F)C(=O)O CHEBI:20021 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] CHEBI:28665 [0,0,0,0,0,1|2,0,1]=4 79 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.113 c1cc(cc(c1)N)C(=O)O CHEBI:42682 [0,0,0,0,0,1|2,0,0]=3 81 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] CHEBI:30761 [0,0,0,0,0,1|2,0,1]=4 82 B10R1.113 c1cc(cc(c1)O)C(=O)O CHEBI:30764 [0,0,0,0,0,1|2,0,0]=3 83 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] CHEBI:16193 [0,0,0,0,0,1|2,0,1]=4 84 B7R0.4 CCC\C=C\C(=O)O CHEBI:61206 [1,0,1,0,0,0|1,0,1]=4 85 B7R0.4 CCC\C=C\C(=O)O CHEBI:87721 [1,0,1,0,0,0|1,0,1]=4 86 B7R0.4 C\C=C/C=C/C(=O)O CHEBI:38361 [1,0,1,0,0,0|1,0,0]=3 87 B7R0.4 C\C=C/C=C\C(=O)O CHEBI:38359 [1,0,1,0,0,0|1,0,0]=3 88 B7R0.4 C\C=C\C=C/C(=O)O CHEBI:38360 [1,0,1,0,0,0|1,0,0]=3 89 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:35962 [1,0,1,0,0,0|1,0,0]=3 90 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:38358 [1,0,1,0,0,0|1,0,0]=3 91 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:36550 [1,0,1,0,0,0|1,0,1]=4 92 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77868 [1,0,1,0,0,0|1,0,1]=4 93 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77869 [1,0,1,0,0,0|1,0,1]=4 94 B7R0.5 C=C=CC(=O)C(=O)O CHEBI:133363 [1,0,1,0,0,0|2,0,0]=4 95 B7R0.5 C=C\C=C(/C(=O)O)\O CHEBI:1113 [1,0,1,0,0,0|0,1,1]=4 96 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:18355 [1,0,1,0,0,0|0,1,1]=4 97 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:48643 [1,0,1,0,0,0|0,1,1]=4 98 B7R0.6 C(=C/C(=O)O)/C(=O)N CHEBI:29045 [1,0,1,0,0,0|1,1,0]=4 99 B7R0.6 C(=C/C(=O)O)/C(=O)O CHEBI:18300 [1,0,1,0,0,0|1,1,0]=4 100 B7R0.6 C(=C/C(=O)[O-])/C(=O)O CHEBI:37156 [1,0,1,0,0,0|1,1,0]=4 101 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:18012 [1,0,1,0,0,0|1,1,0]=4 102 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:22958 [1,0,1,0,0,0|1,1,0]=4 103 B7R0.6 C(=C\C(=O)O)/C(=O)O CHEBI:91084 [1,0,1,0,0,0|1,1,0]=4 104 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:115087 [1,0,1,0,0,0|1,1,0]=4 105 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:37154 [1,0,1,0,0,0|1,1,0]=4 106 B7R0.6 C(=C\C(=O)[O-])/C(=O)O CHEBI:37155 [1,0,1,0,0,0|1,1,0]=4 107 B7R0.6 CC(=O)\C=C/C(=O)O CHEBI:28993 [1,0,1,0,0,0|0,1,0]=3 108 B7R1.1 c1cc([nH]c1)C=O CHEBI:59978 [2,0,0,0,0,0|2,0,0]=4 109 B7R1.1 c1cc(oc1)C=O CHEBI:34768 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.1 c1cc(sc1)C=O CHEBI:87301 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.1 c1cocc1C=O CHEBI:87609 [2,0,0,0,0,0|0,1,0]=3 112 B7R1.1 c1cscc1C=O CHEBI:87611 [2,0,0,0,0,0|0,0,0]=2 113 B7R1.2 Cc1cc(no1)O CHEBI:5827 [2,0,0,0,0,0|1,1,0]=4 114 B9R0.48 C(=C/C(=O)O)/C(=C\C=O)/O CHEBI:18301 [0,1,1,0,0,0|2,0,0]=4 115 B9R0.48 C(=C/C(=O)O)/C(=O)NC=O CHEBI:59930 [0,1,1,0,0,0|2,0,0]=4 116 B9R0.48 C(=C\C(=O)O)/C(=C/C=O)/O CHEBI:67103 [0,1,1,0,0,0|2,0,0]=4 117 B9R0.1 CC(=O)\C=C\C=C(/C)\C=O CHEBI:1283 [0,1,1,0,0,0|2,0,0]=4 118 B9R1.21 c1cc([nH]c1CO)C=O CHEBI:604731 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.21 c1cc(oc1CO)C=O CHEBI:412516 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.41 Cc1c(c[nH]n1)C(=O)O CHEBI:74742 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.41 Cc1c(nc[nH]1)C(=O)O CHEBI:74747 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.41 Cc1c[nH]nc1C(=O)O CHEBI:74740 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.41 Cn1c(ccn1)C(=O)O CHEBI:74737 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.41 c1[nH]c(c(n1)C(=O)O)N CHEBI:28280 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.3 CC(=O)c1ccc(cc1)OC CHEBI:86567 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.3 COc1ccc(cc1)C(=O)O CHEBI:40813 [0,1,0,0,0,1|1,0,0]=3 127 B11R1.3 COc1ccc(cc1)C(=O)[O-] CHEBI:16639 [0,1,0,0,0,1|1,0,1]=4 128 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl CHEBI:28420 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O CHEBI:49644 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O CHEBI:27849 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [0,1,0,0,0,1|1,0,0]=3 132 B11R1.21 Cc1c(cc(cn1)C(=O)[O-])O CHEBI:57528 [0,1,0,0,0,1|1,0,1]=4 133 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.21 Cc1ccc(cc1C)C(=O)[O-] CHEBI:64820 [0,1,0,0,0,1|1,0,1]=4 136 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.22 [*]OC(=O)c1ccc(cc1)O CHEBI:79323 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [0,1,0,0,0,1|1,0,0]=3 144 B11R1.166 Cc1ccc(c(c1)C)C(=O)[O-] CHEBI:64812 [0,1,0,0,0,1|1,0,1]=4 145 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [0,1,0,0,0,1|1,0,0]=3 146 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O CHEBI:17477 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O CHEBI:76793 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CHEBI:30748 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CHEBI:59472 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.166 c1cc(nc(c1C(=O)O)O)O CHEBI:49087 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CHEBI:52091 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.74 Cc1cc(cc(=O)[nH]1)C(=O)C CHEBI:66524 [0,1,0,0,0,1|2,0,0]=4 154 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CHEBI:64821 [0,1,0,0,0,1|1,0,0]=3 155 B11R1.74 Cc1cc(cc(c1)C(=O)[O-])C CHEBI:64822 [0,1,0,0,0,1|1,0,1]=4 156 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O CHEBI:16742 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.74 c1c(cc(cc1N)O)C(=O)O CHEBI:29507 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.74 c1c(cc(cc1O)O)C(=O)O CHEBI:39912 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O CHEBI:73179 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.159 C1=CC(=O)C(=N)C(=C1)C(=O)O CHEBI:15953 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.159 Cc1cccc(c1C)C(=O)O CHEBI:64823 [0,1,0,0,0,1|1,0,0]=3 162 B11R1.159 Cc1cccc(c1C)C(=O)[O-] CHEBI:64824 [0,1,0,0,0,1|1,0,1]=4 163 B11R1.159 Cc1cccc(c1O)C(=O)O CHEBI:20141 [0,1,0,0,0,1|1,0,0]=3 164 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O CHEBI:15793 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O CHEBI:18026 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CHEBI:64825 [0,1,0,0,0,1|1,0,0]=3 167 B11R1.167 Cc1ccc(c(c1)C(=O)[O-])C CHEBI:64826 [0,1,0,0,0,1|1,0,1]=4 168 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl CHEBI:132298 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O CHEBI:420128 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.167 c1cc(c(cc1F)C(=O)O)N CHEBI:78042 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.167 c1cc(c(cc1N)C(=O)O)O CHEBI:6775 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.167 c1cc(c(cc1O)C(=O)O)O CHEBI:17189 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.266 CCc1cc(ccn1)C(=O)O CHEBI:74682 [0,1,0,0,0,1|1,0,0]=3 174 B11R1.175 c1cc(oc1C(O)O)C(=O)O CHEBI:84211 [0,2,0,0,0,0|2,0,0]=4 175 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [0,0,1,1,0,0|1,0,1]=4 176 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [0,0,1,1,0,0|1,0,1]=4 177 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [0,0,1,1,0,0|1,0,1]=4 178 B7R0.16 CC(=C(C(=O)O)O)C CHEBI:132177 [0,0,1,0,1,0|2,0,0]=4 179 B9R1.2 Cc1cccc(c1)C=O CHEBI:28476 [1,0,0,0,0,1|1,0,0]=3 180 B9R1.2 c1cc(cc(c1)O)C=O CHEBI:16207 [1,0,0,0,0,1|2,0,0]=4 181 B9R1.13 c1c([nH]cn1)CC(=O)O CHEBI:70804 [1,0,0,0,0,1|2,0,0]=4 182 B9R1.13 c1c(nc[nH]1)CC(=O)O CHEBI:16974 [1,0,0,0,0,1|2,0,0]=4 183 B9R1.13 c1cc(sc1)CC(=O)O CHEBI:45807 [1,0,0,0,0,1|2,0,0]=4 184 B9R1.13 c1cn(cn1)CC(=O)O CHEBI:70801 [1,0,0,0,0,1|2,0,0]=4 185 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [0,0,0,0,0,2|2,0,0]=4 186 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [0,0,0,0,0,2|2,0,0]=4 187 B11R1.157 Cc1cccc(c1)CC(=O)O CHEBI:88356 [0,0,0,0,0,2|1,0,0]=3 188 B11R1.157 c1cc(cc(c1)O)CC(=O)O CHEBI:17445 [0,0,0,0,0,2|2,0,0]=4