0 B8R1.7 CC(=O)C1=NCCC1 CHEBI:67125 [0,0,0,0,0,0|0,0,4]=4 1 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 CC(=O)n1ccnc1 CHEBI:16984 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 c1c([nH]cn1)[N+](=O)[O-] CHEBI:64635 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 c1c(scn1)C(=O)N CHEBI:132332 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.7 c1cc(oc1)[N+](=O)[O-] CHEBI:34890 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] CHEBI:67135 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.7 c1cocc1C(=O)[O-] CHEBI:30847 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 c1cc([nH]c1)C=O CHEBI:59978 [1,0,0,0,0,0|0,0,0]=1 18 B7R1.1 c1cc(oc1)C=O CHEBI:34768 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.1 c1cc(oc1)CO CHEBI:207496 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.1 c1cc(oc1)CO CHEBI:53371 [1,0,0,0,0,0|1,0,2]=4 21 B7R1.1 c1cc(sc1)C=O CHEBI:87301 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.1 c1cocc1C=O CHEBI:87609 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 c1cscc1C=O CHEBI:87611 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.11 CCC(=O)n1ccnc1 CHEBI:27449 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.35 Cc1cc(n[nH]1)C(=O)O CHEBI:74739 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.35 Cn1ccc(n1)C(=O)O CHEBI:74738 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.41 CC(=O)c1cccn1C CHEBI:59982 [0,1,0,0,0,0|0,0,0]=1 33 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CHEBI:41149 [0,1,0,0,0,0|1,0,2]=4 34 B9R1.41 Cc1c(nc[nH]1)C(=O)O CHEBI:74747 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.41 Cc1c[nH]nc1C(=O)O CHEBI:74740 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.41 Cn1c(ccn1)C(=O)O CHEBI:74737 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.41 Cn1ccnc1C(=O)O CHEBI:74743 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.41 c1[nH]c(c(n1)C(=O)N)N CHEBI:2030 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.41 c1[nH]c(c(n1)C(=O)N)O CHEBI:88290 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.41 c1[nH]c(c(n1)C(=O)O)N CHEBI:28280 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.4 CC\C=C\CC(=O)C CHEBI:87582 [0,0,1,0,0,0|1,0,2]=4 42 B7R0.4 C\C=C/C=C/C(=O)O CHEBI:38361 [0,0,1,0,0,0|2,0,0]=3 43 B7R0.4 C\C=C/C=C\C(=O)O CHEBI:38359 [0,0,1,0,0,0|2,0,0]=3 44 B7R0.4 C\C=C\C=C/C(=O)O CHEBI:38360 [0,0,1,0,0,0|2,0,0]=3 45 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:35962 [0,0,1,0,0,0|2,0,0]=3 46 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:38358 [0,0,1,0,0,0|2,0,0]=3 47 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:36550 [0,0,1,0,0,0|2,0,0]=3 48 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77868 [0,0,1,0,0,0|2,0,0]=3 49 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77869 [0,0,1,0,0,0|2,0,0]=3 50 B7R0.5 C=C=CC(=O)C(=O)O CHEBI:133363 [0,0,1,0,0,0|2,0,1]=4 51 B7R0.5 C=CCC(=O)C(=O)O CHEBI:37318 [0,0,1,0,0,0|2,0,1]=4 52 B7R0.5 C=CCC(=O)C(=O)[O-] CHEBI:11641 [0,0,1,0,0,0|2,0,1]=4 53 B7R0.5 C=C\C=C(/C(=O)O)\O CHEBI:1113 [0,0,1,0,0,0|2,0,0]=3 54 B7R0.5 C=C\C=C(/C(=O)[O-])\O CHEBI:60886 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:18355 [0,0,1,0,0,0|2,0,0]=3 56 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:48643 [0,0,1,0,0,0|2,0,0]=3 57 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:37319 [0,0,1,0,0,0|2,0,0]=3 58 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:67152 [0,0,1,0,0,0|2,0,0]=3 59 B9R2.7 C1C=CN2[C@H]1CC2=O CHEBI:46765 [0,0,0,1,0,0|2,0,1]=4 60 B9R2.7 C1[C@@H]2N(C1=O)C=CS2 CHEBI:35994 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [0,0,0,0,0,1|2,0,1]=4 62 B9R1.6 C1CNCC(=C1)C(=O)O CHEBI:5576 [0,0,0,0,0,1|1,0,2]=4 63 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [0,0,0,0,0,1|1,0,2]=4 64 B9R1.6 CC(=O)C1=CCCCN1 CHEBI:59534 [0,0,0,0,0,1|0,0,2]=3 65 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [0,0,0,0,0,1|1,0,0]=2 66 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [0,0,0,0,0,1|2,0,1]=4 67 B9R1.6 CC(c1ccccc1)N CHEBI:670 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.6 CC(c1ccccc1)O CHEBI:669 [0,0,0,0,0,1|1,0,2]=4 69 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [0,0,0,0,0,1|3,0,0]=4 70 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [0,0,0,0,0,1|3,0,0]=4 71 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [0,0,0,0,0,1|2,0,1]=4 72 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [0,0,0,0,0,1|1,0,2]=4 73 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [0,0,0,0,0,1|2,0,1]=4 74 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [0,0,0,0,0,1|1,0,2]=4 75 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [0,0,0,0,0,1|2,0,1]=4 76 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [0,0,0,0,0,1|1,0,1]=3 77 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [0,0,0,0,0,1|1,0,1]=3 78 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [0,0,0,0,0,1|1,0,1]=3 79 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [0,0,0,0,0,1|3,0,0]=4 80 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [0,0,0,0,0,1|2,0,0]=3 81 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [0,0,0,0,0,1|2,0,0]=3 82 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [0,0,0,0,0,1|2,0,0]=3 83 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [0,0,0,0,0,1|2,0,0]=3 84 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [0,0,0,0,0,1|3,0,0]=4 85 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [0,0,0,0,0,1|3,0,0]=4 86 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [0,0,0,0,0,1|3,0,0]=4 87 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [0,0,0,0,0,1|1,0,1]=3 88 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [0,0,0,0,0,1|1,0,1]=3 89 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [0,0,0,0,0,1|1,0,1]=3 90 B9R1.6 c1cnc(cn1)C(=O)N CHEBI:45285 [0,0,0,0,0,1|1,0,1]=3 91 B9R1.6 c1cnc(cn1)C(=O)O CHEBI:71311 [0,0,0,0,0,1|1,0,1]=3 92 B9R1.6 c1cnc(cn1)C(=O)[O-] CHEBI:71266 [0,0,0,0,0,1|1,0,1]=3 93 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [0,0,0,0,0,1|2,0,0]=3 94 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [0,0,0,0,0,1|2,0,0]=3 95 B9R1.13 CC(Cc1cnc[nH]1)N CHEBI:74759 [0,0,0,0,0,1|2,0,1]=4 96 B9R1.13 c1c([nH]cn1)CC(=O)O CHEBI:70804 [0,0,0,0,0,1|2,0,0]=3 97 B9R1.13 c1c(nc[nH]1)CC(=O)O CHEBI:16974 [0,0,0,0,0,1|2,0,1]=4 98 B9R1.13 c1c(nc[nH]1)CC(=O)[O-] CHEBI:57969 [0,0,0,0,0,1|2,0,1]=4 99 B9R1.13 c1cc(sc1)CC(=O)O CHEBI:45807 [0,0,0,0,0,1|2,0,0]=3 100 B9R1.13 c1cc(sc1)CC(=O)[O-] CHEBI:32403 [0,0,0,0,0,1|2,0,0]=3 101 B9R1.13 c1cnc([nH]1)CC(=O)O CHEBI:70806 [0,0,0,0,0,1|2,0,0]=3 102 B6R0.4 C=C\C=C\C(=O)O CHEBI:35964 [1,0,1,0,0,0|1,0,0]=3 103 B6R0.4 C=C\C=C\C(=O)O CHEBI:37331 [1,0,1,0,0,0|1,0,0]=3 104 B6R0.4 C=C\C=C\C(=O)[O-] CHEBI:37322 [1,0,1,0,0,0|1,0,0]=3 105 B6R0.3 C=CC(=O)C(=O)O CHEBI:74021 [1,0,1,0,0,0|2,0,0]=4 106 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:18820 [1,0,1,0,0,0|1,0,1]=4 107 B6R0.3 C\C=C(\C(=O)O)/N CHEBI:48305 [1,0,1,0,0,0|1,0,1]=4 108 B6R0.3 C\C=C(\C(=O)[O-])/N CHEBI:58739 [1,0,1,0,0,0|1,0,1]=4 109 B6R1.2 C1C(=O)NC=N1 CHEBI:28470 [2,0,0,0,0,0|1,0,1]=4 110 B6R1.2 C1C=CC(=O)O1 CHEBI:38118 [2,0,0,0,0,0|1,0,1]=4 111 B6R1.2 C1C=COC1=O CHEBI:38120 [2,0,0,0,0,0|1,0,1]=4 112 B6R1.2 C=C1C=CC=C1 CHEBI:51999 [2,0,0,0,0,0|1,0,0]=3 113 B6R1.2 Cc1c[nH]cn1 CHEBI:40035 [2,0,0,0,0,0|1,0,1]=4 114 B6R1.2 Cc1cccs1 CHEBI:35849 [2,0,0,0,0,0|1,0,0]=3 115 B6R1.2 Cc1ccsc1 CHEBI:37992 [2,0,0,0,0,0|2,0,0]=4 116 B6R1.2 Cc1cscn1 CHEBI:35626 [2,0,0,0,0,0|1,0,1]=4 117 B6R1.2 Cn1cccn1 CHEBI:59025 [2,0,0,0,0,0|1,0,1]=4 118 B6R1.2 c1c[nH+]c([nH]1)Cl CHEBI:52719 [2,0,0,0,0,0|2,0,0]=4 119 B6R1.2 c1c[nH]c(=O)[nH]1 CHEBI:51022 [2,0,0,0,0,0|1,0,0]=3 120 B6R1.2 c1c[nH]oc1=O CHEBI:76851 [2,0,0,0,0,0|2,0,0]=4 121 B6R1.2 c1ccs(=O)c1 CHEBI:36603 [2,0,0,0,0,0|2,0,0]=4 122 B6R1.2 c1cnc([nH]1)Cl CHEBI:52721 [2,0,0,0,0,0|2,0,0]=4 123 B8R0.7 C=C\C=C\C=C/C(=O)O CHEBI:50487 [0,1,1,0,0,0|2,0,0]=4 124 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50483 [0,1,1,0,0,0|2,0,0]=4 125 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50484 [0,1,1,0,0,0|2,0,0]=4 126 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [0,1,1,0,0,0|2,0,0]=4 127 B8R0.8 C\C=C/C=C(/C(=O)[O-])\O CHEBI:63693 [0,1,1,0,0,0|2,0,0]=4 128 B8R0.28 C(=C/NC(=O)N)/C(=O)O CHEBI:59890 [0,1,1,0,0,0|2,0,0]=4 129 B8R0.28 C(=C/NC(=O)N)/C(=O)[O-] CHEBI:59891 [0,1,1,0,0,0|2,0,0]=4 130 B8R0.28 C(=C/SC(=N)N)/C(=O)O CHEBI:35050 [0,1,1,0,0,0|2,0,0]=4 131 B8R1.8 c1c(nc[nH]1)CC=O CHEBI:27398 [1,1,0,0,0,0|1,0,1]=4 132 B8R1.11 Cn1cc[nH]c1=S=O CHEBI:63828 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,1,0,0,0,1|1,0,0]=3 134 B10R1.13 CC1=CC=C(CC1)C(=C)C CHEBI:89242 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.13 c1cc(ncc1C(=O)N)N CHEBI:74514 [0,1,0,0,0,1|1,0,1]=4 152 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [0,1,0,0,0,1|1,0,1]=4 153 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [0,1,0,0,0,1|1,0,1]=4 154 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [0,1,0,0,0,1|1,0,1]=4 155 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,1,0,0,0,1|1,0,0]=3 156 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [0,1,0,0,0,1|0,0,1]=3 157 B10R1.15 COC(=O)C1=CCCNC1 CHEBI:80754 [0,1,0,0,0,1|0,0,2]=4 158 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,1,0,0,0,1|1,0,0]=3 159 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,1,0,0,0,1|1,0,1]=4 160 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,1,0,0,0,1|1,0,0]=3 161 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,1,0,0,0,1|1,0,0]=3 162 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.15 c1cnccc1C(=O)NN CHEBI:6030 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [0,1,0,0,0,1|2,0,0]=4 165 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [0,1,0,0,0,1|1,0,0]=3 166 B10R1.61 Cc1c(cccn1)C(=O)N CHEBI:68440 [0,1,0,0,0,1|1,0,1]=4 167 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [0,1,0,0,0,1|2,0,0]=4 168 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [0,1,0,0,0,1|2,0,0]=4 169 B10R1.61 Cc1ccccc1C(=O)[O-] CHEBI:28872 [0,1,0,0,0,1|2,0,0]=4 170 B10R1.61 c1cc(c(nc1)C(=O)O)O CHEBI:64342 [0,1,0,0,0,1|1,0,1]=4 171 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [0,1,0,0,0,1|1,0,1]=4 172 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl CHEBI:60719 [0,1,0,0,0,1|2,0,0]=4 173 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [0,1,0,0,0,1|2,0,0]=4 174 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [0,1,0,0,0,1|2,0,0]=4 175 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [0,1,0,0,0,1|2,0,0]=4 176 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [0,1,0,0,0,1|2,0,0]=4 177 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [0,1,0,0,0,1|2,0,0]=4 178 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [0,1,0,0,0,1|2,0,0]=4 179 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [0,1,0,0,0,1|2,0,0]=4 180 B10R1.61 c1ccc(c(c1)C(=O)[O-])Cl CHEBI:28303 [0,1,0,0,0,1|2,0,0]=4 181 B10R1.61 c1ccc(c(c1)C(=O)[O-])F CHEBI:27839 [0,1,0,0,0,1|2,0,0]=4 182 B10R1.61 c1ccc(c(c1)C(=O)[O-])I CHEBI:59122 [0,1,0,0,0,1|2,0,0]=4 183 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [0,1,0,0,0,1|2,0,0]=4 184 B10R1.61 c1ccc(c(c1)C(=O)[O-])O CHEBI:30762 [0,1,0,0,0,1|2,0,0]=4 185 B10R1.61 c1ccc(c(c1)C(=O)[O-])S CHEBI:59127 [0,1,0,0,0,1|2,0,0]=4 186 B10R1.61 c1cncc(c1N)C(=O)O CHEBI:68577 [0,1,0,0,0,1|1,0,1]=4 187 B10R1.113 C[n+]1cccc(c1)C(=O)N CHEBI:16797 [0,1,0,0,0,1|1,0,1]=4 188 B10R1.113 C[n+]1cccc(c1)C(=O)O CHEBI:50521 [0,1,0,0,0,1|1,0,1]=4 189 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] CHEBI:18123 [0,1,0,0,0,1|1,0,1]=4 190 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [0,1,0,0,0,1|2,0,0]=4 191 B10R1.113 Cc1cccc(c1)C(=O)[O-] CHEBI:28795 [0,1,0,0,0,1|2,0,0]=4 192 B10R1.113 c1c(cncc1N)C(=O)O CHEBI:68578 [0,1,0,0,0,1|1,0,1]=4 193 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [0,1,0,0,0,1|2,0,0]=4 194 B10R1.113 c1cc(cc(c1)Cl)C(=O)[O-] CHEBI:19984 [0,1,0,0,0,1|2,0,0]=4 195 B10R1.113 c1cc(cc(c1)F)C(=O)O CHEBI:20021 [0,1,0,0,0,1|2,0,0]=4 196 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] CHEBI:28665 [0,1,0,0,0,1|2,0,0]=4 197 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [0,1,0,0,0,1|2,0,0]=4 198 B10R1.113 c1cc(cc(c1)N)C(=O)O CHEBI:42682 [0,1,0,0,0,1|2,0,0]=4 199 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] CHEBI:30761 [0,1,0,0,0,1|2,0,0]=4 200 B10R1.113 c1cc(cc(c1)O)C(=O)O CHEBI:30764 [0,1,0,0,0,1|2,0,0]=4 201 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] CHEBI:16193 [0,1,0,0,0,1|2,0,0]=4 202 B10R1.54 C/1=CC(=O)O\C1=C/C(=O)O CHEBI:38107 [0,1,0,0,0,1|2,0,0]=4 203 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)O CHEBI:11972 [0,1,0,0,0,1|2,0,0]=4 204 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)O CHEBI:18371 [0,1,0,0,0,1|2,0,0]=4 205 B10R1.54 C/1=CC(=O)O\C1=C\C(=O)[O-] CHEBI:57263 [0,1,0,0,0,1|2,0,0]=4 206 B10R1.64 Cn1cncc1CC(=O)O CHEBI:70966 [0,1,0,0,0,1|2,0,0]=4 207 B10R1.31 c1cc(oc1C=O)C(=O)O CHEBI:84206 [0,2,0,0,0,0|2,0,0]=4 208 B10R1.31 c1cc(oc1C=O)C(=O)[O-] CHEBI:83387 [0,2,0,0,0,0|2,0,0]=4 209 B10R1.31 c1cc(oc1CO)C(=O)O CHEBI:89118 [0,2,0,0,0,0|2,0,0]=4 210 B8R1.4 Cc1cccc(c1)C CHEBI:28488 [0,0,1,1,0,0|2,0,0]=4 211 B8R1.4 Cc1cccc(c1)O CHEBI:17231 [0,0,1,1,0,0|2,0,0]=4 212 B8R1.4 Cc1cccc(n1)C CHEBI:32548 [0,0,1,1,0,0|2,0,0]=4 213 B8R1.4 c1c[nH]c(=O)nc1N CHEBI:16040 [0,0,1,1,0,0|2,0,0]=4 214 B8R1.4 c1cc(cc(c1)F)N CHEBI:27873 [0,0,1,1,0,0|1,0,1]=4 215 B8R1.4 c1cc(cc(c1)N)N CHEBI:8092 [0,0,1,1,0,0|1,0,1]=4 216 B8R1.4 c1cc(cc(c1)O)N CHEBI:28924 [0,0,1,1,0,0|0,0,2]=4 217 B8R1.5 C1=CC(=N)C(=O)C=C1 CHEBI:55409 [0,0,1,1,0,0|0,0,2]=4 218 B8R1.5 C1=CC(=O)C(=O)C=C1 CHEBI:17253 [0,0,1,1,0,0|1,0,1]=4 219 B8R1.5 C=C1C=CC=CC1=O CHEBI:52409 [0,0,1,1,0,0|1,0,1]=4 220 B8R1.5 Cc1ccccc1C CHEBI:28063 [0,0,1,1,0,0|2,0,0]=4 221 B8R1.5 Cc1ccccc1I CHEBI:39813 [0,0,1,1,0,0|2,0,0]=4 222 B8R1.5 Cc1ccccc1N CHEBI:66892 [0,0,1,1,0,0|1,0,0]=3 223 B8R1.5 Cc1ccccc1O CHEBI:28054 [0,0,1,1,0,0|2,0,0]=4 224 B8R1.5 c1ccc(c(c1)N)F CHEBI:27526 [0,0,1,1,0,0|1,0,1]=4 225 B8R1.5 c1ccc(c(c1)N)N CHEBI:34043 [0,0,1,1,0,0|1,0,1]=4 226 B8R1.5 c1ccc(c(c1)N)O CHEBI:18112 [0,0,1,1,0,0|0,0,2]=4 227 B8R1.5 c1ccc(c(c1)N)S CHEBI:91019 [0,0,1,1,0,0|0,1,1]=4 228 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [1,0,0,0,0,1|1,0,1]=4 229 B8R1.2 CCc1ccccc1 CHEBI:16101 [1,0,0,0,0,1|1,0,1]=4 230 B8R1.2 CCc1cnccn1 CHEBI:73232 [1,0,0,0,0,1|0,0,2]=4 231 B8R1.2 CNc1ccccc1 CHEBI:15733 [1,0,0,0,0,1|2,0,0]=4 232 B8R1.2 COC1=CC=CC#C1 CHEBI:33826 [1,0,0,0,0,1|2,0,0]=4 233 B8R1.2 COc1ccccc1 CHEBI:16579 [1,0,0,0,0,1|2,0,0]=4 234 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [1,0,0,0,0,1|0,0,1]=3 235 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [1,0,0,0,0,1|1,0,0]=3 236 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [1,0,0,0,0,1|2,0,0]=4 237 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [1,0,0,0,0,1|2,0,0]=4 238 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [1,0,0,0,0,1|0,0,1]=3 239 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [0,0,0,0,0,2|2,0,0]=4 240 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [0,0,0,0,0,2|1,0,0]=3 241 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [0,0,0,0,0,2|1,0,0]=3 242 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [0,0,0,0,0,2|1,0,0]=3 243 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [0,0,0,0,0,2|2,0,0]=4 244 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [0,0,0,0,0,2|1,0,1]=4 245 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [0,0,0,0,0,2|2,0,0]=4 246 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [0,0,0,0,0,2|2,0,0]=4 247 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [0,0,0,0,0,2|2,0,0]=4 248 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [0,0,0,0,0,2|2,0,0]=4