0 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 C=C1C=Nc2c1cccc2 CHEBI:63905 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [0,0,0,0,0,0|2,0,1]=3 5 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [0,0,0,0,0,0|2,0,1]=3 7 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [0,0,0,0,0,0|1,0,2]=3 8 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [0,0,0,0,0,0|2,0,1]=3 9 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 CHEBI:167099 [0,0,0,0,0,0|0,1,2]=3 10 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [0,0,0,0,0,0|3,0,0]=3 11 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [0,0,0,0,0,0|2,0,0]=2 12 B11R2.1 c1ccc2c(c1)ccn2Br CHEBI:52517 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.1 c1ccc2c(c1)ccn2Cl CHEBI:52510 [0,0,0,0,0,0|4,0,0]=4 14 B10R2.7 C1C=CC2=CC=CC2=C1 CHEBI:33056 [1,0,0,0,0,0|2,0,1]=4 15 B10R2.7 C1C=CC=C2C1=CC=C2 CHEBI:33055 [1,0,0,0,0,0|2,0,1]=4 16 B10R2.7 c1c2c(cn[nH]2)ncn1 CHEBI:50092 [1,0,0,0,0,0|3,0,0]=4 17 B10R2.7 c1cc2c(nc1)nco2 CHEBI:38581 [1,0,0,0,0,0|3,0,0]=4 18 B10R2.7 c1ccc2=CCC=c2c1 CHEBI:33054 [1,0,0,0,0,0|2,0,0]=3 19 B10R2.7 c1ccc2=NCN=c2c1 CHEBI:36639 [1,0,0,0,0,0|3,0,0]=4 20 B10R2.7 c1ccc2c(c1)C=C[CH]2 CHEBI:33053 [1,0,0,0,0,0|2,0,0]=3 21 B10R2.7 c1ccc2c(c1)C=C[C]2 CHEBI:33052 [1,0,0,0,0,0|2,0,0]=3 22 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,0,0,0|2,0,0]=3 23 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,0,0,0|2,0,1]=4 24 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [1,0,0,0,0,0|2,0,1]=4 25 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [1,0,0,0,0,0|2,0,1]=4 26 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [1,0,0,0,0,0|1,0,1]=3 27 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,0,0,0|1,0,0]=2 28 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [1,0,0,0,0,0|1,0,1]=3 29 B10R2.7 c1ccc2c(c1)OCO2 CHEBI:38732 [1,0,0,0,0,0|2,0,0]=3 30 B10R2.7 c1ccc2c(c1)[n-]cn2 CHEBI:33173 [1,0,0,0,0,0|3,0,0]=4 31 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [1,0,0,0,0,0|3,0,0]=4 32 B10R2.7 c1ccc2c(c1)[nH]nn2 CHEBI:75331 [1,0,0,0,0,0|2,0,0]=3 33 B10R2.7 c1ccc2c(c1)c[nH]n2 CHEBI:36670 [1,0,0,0,0,0|1,0,1]=3 34 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [1,0,0,0,0,0|2,0,0]=3 35 B10R2.7 c1ccc2c(c1)cco2 CHEBI:35260 [1,0,0,0,0,0|1,0,0]=2 36 B10R2.7 c1ccc2c(c1)ccs2 CHEBI:35858 [1,0,0,0,0,0|1,1,0]=3 37 B10R2.7 c1ccc2c(c1)cn[nH]2 CHEBI:36669 [1,0,0,0,0,0|1,0,0]=2 38 B10R2.7 c1ccc2c(c1)cno2 CHEBI:51554 [1,0,0,0,0,0|0,0,0]=1 39 B10R2.7 c1ccc2c(c1)con2 CHEBI:51555 [1,0,0,0,0,0|2,0,0]=3 40 B10R2.7 c1ccc2c(c1)nco2 CHEBI:38814 [1,0,0,0,0,0|2,0,0]=3 41 B10R2.7 c1ccc2c(c1)ncs2 CHEBI:45993 [1,0,0,0,0,0|2,1,0]=4 42 B10R2.7 c1ccc2c[nH]cc2c1 CHEBI:33179 [1,0,0,0,0,0|1,0,1]=3 43 B10R2.7 c1ccc2cocc2c1 CHEBI:35261 [1,0,0,0,0,0|2,0,0]=3 44 B10R2.7 c1ccc2cscc2c1 CHEBI:36953 [1,0,0,0,0,0|2,0,0]=3 45 B10R2.7 c1ccn2cccc2c1 CHEBI:35583 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O CHEBI:28238 [0,1,0,0,0,0|2,0,1]=4 47 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN CHEBI:65009 [0,1,0,0,0,0|3,0,0]=4 48 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO CHEBI:24814 [0,1,0,0,0,0|2,0,0]=3 49 B12R2.18 C=C1c2ccccc2NC1=O CHEBI:17920 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [0,1,0,0,0,0|2,0,1]=4 51 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [0,1,0,0,0,0|2,0,1]=4 52 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [0,1,0,0,0,0|2,0,0]=3 53 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)O CHEBI:90247 [0,1,0,0,0,0|2,0,0]=3 54 B12R2.612 B1(c2ccc(cc2CO1)F)O CHEBI:77942 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O CHEBI:78877 [0,1,0,0,0,0|2,0,1]=4 56 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O CHEBI:38817 [0,1,0,0,0,0|1,0,2]=4 57 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O CHEBI:36605 [0,1,0,0,0,0|2,0,1]=4 58 B12R2.2028 c1ccc2c(c1)C(=O)OI2O CHEBI:52699 [0,1,0,0,0,0|2,0,1]=4 59 B12R2.2028 c1ccc2c(c1)C(OC2=O)O CHEBI:495639 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,0,1,0,0,0|2,0,1]=4 61 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,0,1,0,0,0|2,0,1]=4 62 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,0,1,0,0,0|2,0,1]=4 63 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,0,1,0,0,0|2,0,1]=4 64 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,0,1,0,0,0|1,0,1]=3 65 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,0,1,0,0,0|1,0,2]=4 66 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [0,0,1,0,0,0|2,0,1]=4 67 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [0,0,1,0,0,0|2,0,1]=4 68 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [0,0,1,0,0,0|2,0,1]=4 69 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [0,0,1,0,0,0|2,0,1]=4 70 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [0,0,1,0,0,0|2,0,1]=4 71 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [0,0,1,0,0,0|1,0,0]=2 72 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [0,0,1,0,0,0|1,1,1]=4 73 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [0,0,1,0,0,0|1,0,2]=4 74 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [0,0,1,0,0,0|3,0,0]=4 75 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [0,0,1,0,0,0|3,0,0]=4 76 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [0,0,1,0,0,0|3,0,0]=4 77 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [0,0,1,0,0,0|1,0,1]=3 78 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [0,0,1,0,0,0|2,0,1]=4 79 B10R1.17 c1ccc(cc1)\C=C\C=O CHEBI:16731 [0,0,1,0,0,0|2,0,1]=4 80 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [0,0,1,0,0,0|2,0,1]=4 81 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [0,0,1,0,0,0|2,0,1]=4 82 B10R1.20 COc1ccccc1OC CHEBI:59114 [0,0,1,0,0,0|3,0,0]=4 83 B10R1.20 c1ccc(c(c1)C=O)C=O CHEBI:70851 [0,0,1,0,0,0|2,0,1]=4 84 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [0,0,1,0,0,0|2,0,1]=4 85 B10R1.61 CC(C)c1ccccc1O CHEBI:38506 [0,0,1,0,0,0|2,0,1]=4 86 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [0,0,1,0,0,0|2,0,0]=3 87 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [0,0,1,0,0,0|2,0,0]=3 88 B10R1.61 Cc1ccccc1C(=O)[O-] CHEBI:28872 [0,0,1,0,0,0|2,0,1]=4 89 B10R1.61 c1cc(c(nc1)C(=O)O)O CHEBI:64342 [0,0,1,0,0,0|2,0,0]=3 90 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [0,0,1,0,0,0|3,0,0]=4 91 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl CHEBI:60719 [0,0,1,0,0,0|2,0,1]=4 92 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [0,0,1,0,0,0|0,0,2]=3 93 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [0,0,1,0,0,0|2,0,0]=3 94 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [0,0,1,0,0,0|2,0,0]=3 95 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [0,0,1,0,0,0|2,0,0]=3 96 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [0,0,1,0,0,0|2,0,0]=3 97 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [0,0,1,0,0,0|1,0,0]=2 98 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [0,0,1,0,0,0|1,1,0]=3 99 B10R1.61 c1ccc(c(c1)C(=O)[O-])Cl CHEBI:28303 [0,0,1,0,0,0|2,0,1]=4 100 B10R1.61 c1ccc(c(c1)C(=O)[O-])F CHEBI:27839 [0,0,1,0,0,0|2,0,1]=4 101 B10R1.61 c1ccc(c(c1)C(=O)[O-])I CHEBI:59122 [0,0,1,0,0,0|2,0,1]=4 102 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [0,0,1,0,0,0|2,0,1]=4 103 B10R1.61 c1ccc(c(c1)C(=O)[O-])O CHEBI:30762 [0,0,1,0,0,0|1,0,1]=3 104 B10R1.61 c1ccc(c(c1)C(=O)[O-])S CHEBI:59127 [0,0,1,0,0,0|1,1,1]=4 105 B10R1.61 c1ccc(c(c1)C(=S)S)O CHEBI:37999 [0,0,1,0,0,0|1,1,0]=3 106 B10R1.61 c1ccc(c(c1)N)[As](O)O CHEBI:50024 [0,0,1,0,0,0|3,0,0]=4 107 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O CHEBI:16260 [0,0,1,0,0,0|2,0,1]=4 108 B10R1.61 c1cncc(c1N)C(=O)O CHEBI:68577 [0,0,1,0,0,0|3,0,0]=4 109 B12R2.24 Cc1cc2ccccc2nc1 CHEBI:20140 [0,0,0,0,0,1|3,0,0]=4 110 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [0,0,0,0,0,1|3,0,0]=4 111 B12R2.24 Cc1ccc2ccccc2n1 CHEBI:132813 [0,0,0,0,0,1|3,0,0]=4 112 B12R2.24 Cc1cnc2ccccc2n1 CHEBI:132812 [0,0,0,0,0,1|3,0,0]=4 113 B12R2.24 c1cc2cc(ccc2nc1)O CHEBI:48994 [0,0,0,0,0,1|3,0,0]=4 114 B12R2.24 c1cc2ccc(cc2nc1)O CHEBI:48980 [0,0,0,0,0,1|3,0,0]=4 115 B12R2.24 c1ccc2c(c1)CCC(=O)O2 CHEBI:16151 [0,0,0,0,0,1|2,0,1]=4 116 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [0,0,0,0,0,1|2,0,1]=4 117 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [0,0,0,0,0,1|2,0,1]=4 118 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [0,0,0,0,0,1|2,0,0]=3 119 B12R2.24 c1ccc2c(c1)ncc(n2)O CHEBI:38890 [0,0,0,0,0,1|2,0,0]=3 120 B12R2.24 c1ccc2cc(ccc2c1)N CHEBI:27878 [0,0,0,0,0,1|3,0,0]=4 121 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [0,0,0,0,0,1|2,0,0]=3 122 B12R2.1081 Cc1cccc2c1cccc2 CHEBI:50717 [0,0,0,0,0,1|3,0,0]=4 123 B12R2.1081 Cc1ccnc2c1cccc2 CHEBI:48983 [0,0,0,0,0,1|3,0,0]=4 124 B12R2.1081 [B]c1cccc2c1cccc2 CHEBI:38991 [0,0,0,0,0,1|3,0,0]=4 125 B12R2.1081 c1cc2c(cccn2)c(c1)O CHEBI:48993 [0,0,0,0,0,1|3,0,0]=4 126 B12R2.1081 c1cc2cccnc2c(c1)O CHEBI:48981 [0,0,0,0,0,1|3,0,0]=4 127 B12R2.1081 c1ccc2c(c1)CCOC2=O CHEBI:23745 [0,0,0,0,0,1|2,0,1]=4 128 B12R2.1081 c1ccc2c(c1)c(=O)cco2 CHEBI:72013 [0,0,0,0,0,1|1,0,1]=3 129 B12R2.1081 c1ccc2c(c1)c(ccn2)O CHEBI:15815 [0,0,0,0,0,1|2,0,0]=3 130 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O CHEBI:18350 [0,0,0,0,0,1|1,0,2]=4 131 B12R2.1081 c1ccc2c(c1)cccc2N CHEBI:50450 [0,0,0,0,0,1|3,0,0]=4 132 B12R2.1081 c1ccc2c(c1)cccc2O CHEBI:10319 [0,0,0,0,0,1|2,0,0]=3 133 B12R2.1081 c1ccc2c(c1)ccoc2=O CHEBI:38759 [0,0,0,0,0,1|2,0,1]=4 134 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O CHEBI:34023 [0,0,0,0,0,1|1,0,1]=3 135 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [1,0,1,0,0,0|1,0,0]=3 136 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [1,0,1,0,0,0|1,0,0]=3 137 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [1,0,1,0,0,0|1,0,1]=4 138 B9R1.6 CC(c1ccccc1)O CHEBI:669 [1,0,1,0,0,0|1,0,1]=4 139 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [1,0,1,0,0,0|1,0,1]=4 140 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [1,0,1,0,0,0|1,0,1]=4 141 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [1,0,1,0,0,0|1,0,1]=4 142 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [1,0,1,0,0,0|1,0,0]=3 143 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [1,0,1,0,0,0|0,0,2]=4 144 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [1,0,1,0,0,0|0,0,1]=3 145 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [1,0,1,0,0,0|0,0,2]=4 146 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [1,0,1,0,0,0|0,0,2]=4 147 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [1,0,1,0,0,0|2,0,0]=4 148 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [1,0,1,0,0,0|1,0,1]=4 149 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [1,0,1,0,0,0|1,0,0]=3 150 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [1,0,1,0,0,0|1,0,1]=4 151 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [1,0,1,0,0,0|1,0,1]=4 152 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,0,1,0,0,0|1,0,1]=4 153 B9R1.8 c1cc(cnc1)\C=N\O CHEBI:86555 [1,0,1,0,0,0|1,0,0]=3 154 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,0,1,0,0,0|1,0,1]=4 155 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [1,0,1,0,0,0|1,0,1]=4 156 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,0,1,0,0,0|0,0,2]=4 157 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [1,0,1,0,0,0|0,1,1]=4 158 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,0,1,0,0,0|0,0,2]=4 159 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [1,0,1,0,0,0|1,0,1]=4 160 B9R1.15 COc1ccccc1I CHEBI:16355 [1,0,1,0,0,0|2,0,0]=4 161 B9R1.15 COc1ccccc1O CHEBI:28591 [1,0,1,0,0,0|1,0,0]=3 162 B9R1.15 Cc1ccccc1C=O CHEBI:27434 [1,0,1,0,0,0|1,0,1]=4 163 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [1,0,1,0,0,0|0,0,0]=2 164 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [1,0,1,0,0,0|0,0,1]=3 165 B9R1.15 c1ccc(c(c1)CO)O CHEBI:16464 [1,0,1,0,0,0|0,0,1]=3 166 B11R1.7 CC(CO)(c1ccccc1)O CHEBI:131360 [0,1,1,0,0,0|1,0,1]=4 167 B11R1.12 c1ccc(cc1)\C(=N/O)\C#N CHEBI:38842 [0,1,1,0,0,0|1,0,0]=3 168 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,1,1,0,0,0|1,0,1]=4 169 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,1,1,0,0,0|1,0,1]=4 170 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CHEBI:52091 [0,1,1,0,0,0|1,0,1]=4 171 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [0,1,1,0,0,0|1,0,1]=4 172 B11R1.36 c1ccc(cc1)C(=O)C(=O)O CHEBI:18280 [0,1,1,0,0,0|1,0,1]=4 173 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [0,1,1,0,0,0|1,0,1]=4 174 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [0,1,1,0,0,0|1,0,1]=4 175 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [0,1,1,0,0,0|1,0,1]=4 176 B11R1.222 c1ccc(c(c1)C(=O)NO)O CHEBI:45615 [0,1,1,0,0,0|0,0,2]=4 177 B11R1.91 c1ccc(cc1)C#CC(=O)O CHEBI:90355 [0,1,1,0,0,0|2,0,0]=4 178 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [0,1,1,0,0,0|2,0,0]=4 179 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [0,1,1,0,0,0|2,0,0]=4 180 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [0,1,1,0,0,0|1,0,0]=3 181 B11R1.91 c1ccc(cc1)OCC(=O)[O-] CHEBI:38846 [0,1,1,0,0,0|1,0,1]=4 182 B11R1.91 c1ccc(cc1)\C=C/C(=O)O CHEBI:35699 [0,1,1,0,0,0|2,0,0]=4 183 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:27386 [0,1,1,0,0,0|2,0,0]=4 184 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:35697 [0,1,1,0,0,0|2,0,0]=4 185 B11R1.53 CNc1ccccc1C(=O)O CHEBI:16394 [0,1,1,0,0,0|2,0,0]=4 186 B11R1.53 COc1ccccc1C(=O)O CHEBI:421840 [0,1,1,0,0,0|1,0,0]=3 187 B11R1.53 COc1ccccc1C(=O)[O-] CHEBI:59128 [0,1,1,0,0,0|1,0,1]=4 188 B11R1.53 c1ccc(c(c1)C(=O)O)I=O CHEBI:52698 [0,1,1,0,0,0|2,0,0]=4 189 B11R1.53 c1ccc(c(c1)C(=O)O)NO CHEBI:25618 [0,1,1,0,0,0|2,0,0]=4 190 B11R1.53 c1ccc(c(c1)C=O)C(=O)O CHEBI:17605 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)O CHEBI:71049 [0,1,1,0,0,0|2,0,0]=4 192 B11R1.156 Cc1cccc(c1C(=O)O)C CHEBI:64827 [0,1,1,0,0,0|2,0,0]=4 193 B11R1.156 Cc1cccc(c1C(=O)O)O CHEBI:17637 [0,1,1,0,0,0|1,0,0]=3 194 B11R1.156 Cc1cccc(c1C(=O)[O-])O CHEBI:36658 [0,1,1,0,0,0|1,0,1]=4 195 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl CHEBI:48623 [0,1,1,0,0,0|2,0,0]=4 196 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O CHEBI:68465 [0,1,1,0,0,0|1,0,0]=3 197 B11R1.156 c1cc(c(c(c1)O)C(=O)[O-])O CHEBI:131450 [0,1,1,0,0,0|1,0,1]=4 198 B11R1.159 C1=CC(=O)C(=N)C(=C1)C(=O)O CHEBI:15953 [0,1,1,0,0,0|2,0,0]=4 199 B11R1.159 Cc1cccc(c1C)C(=O)O CHEBI:64823 [0,1,1,0,0,0|2,0,0]=4 200 B11R1.159 Cc1cccc(c1O)C(=O)O CHEBI:20141 [0,1,1,0,0,0|1,0,0]=3 201 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O CHEBI:15793 [0,1,1,0,0,0|2,0,0]=4 202 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O CHEBI:18026 [0,1,1,0,0,0|1,0,0]=3 203 B11R1.159 c1cc(c(c(c1)O)O)C(=O)[O-] CHEBI:36654 [0,1,1,0,0,0|1,0,1]=4 204 B11R1.166 CC(=O)c1ccc(cc1O)O CHEBI:18414 [0,1,1,0,0,0|1,0,1]=4 205 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [0,1,1,0,0,0|2,0,0]=4 206 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [0,1,1,0,0,0|1,0,0]=3 207 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CHEBI:30748 [0,1,1,0,0,0|2,0,0]=4 208 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CHEBI:59472 [0,1,1,0,0,0|2,0,0]=4 209 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [0,1,1,0,0,0|1,0,0]=3 210 B11R1.166 c1cc(nc(c1C(=O)O)O)O CHEBI:49087 [0,1,1,0,0,0|2,0,0]=4 211 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CHEBI:64825 [0,1,1,0,0,0|2,0,0]=4 212 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl CHEBI:132298 [0,1,1,0,0,0|2,0,0]=4 213 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O CHEBI:420128 [0,1,1,0,0,0|1,0,0]=3 214 B11R1.167 c1cc(c(cc1Cl)C(=O)[O-])O CHEBI:59131 [0,1,1,0,0,0|1,0,1]=4 215 B11R1.167 c1cc(c(cc1F)C(=O)O)N CHEBI:78042 [0,1,1,0,0,0|2,0,0]=4 216 B11R1.167 c1cc(c(cc1N)C(=O)O)O CHEBI:6775 [0,1,1,0,0,0|1,0,0]=3 217 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O CHEBI:20551 [0,1,1,0,0,0|1,0,1]=4 218 B11R1.167 c1cc(c(cc1O)C(=O)O)O CHEBI:17189 [0,1,1,0,0,0|1,0,0]=3 219 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O CHEBI:58044 [0,1,1,0,0,0|1,0,1]=4 220 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [1,1,0,0,0,0|2,0,0]=4 221 B11R2.10 Cc1nc2ccccc2o1 CHEBI:51603 [1,1,0,0,0,0|2,0,0]=4 222 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [1,1,0,0,0,0|2,0,0]=4 223 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [1,1,0,0,0,0|2,0,0]=4 224 B11R2.36 C1=CC(=O)C=C2C1=CC=N2 CHEBI:51633 [1,1,0,0,0,0|2,0,0]=4 225 B11R2.36 C1=CC2=NC=CC2=CC1=O CHEBI:51632 [1,1,0,0,0,0|2,0,0]=4 226 B11R2.36 Cc1ccc2c(c1)nn[nH]2 CHEBI:83455 [1,1,0,0,0,0|2,0,0]=4 227 B11R2.36 c1cc2c(cc[nH]2)cc1F CHEBI:72818 [1,1,0,0,0,0|2,0,0]=4 228 B11R2.36 c1cc2c(cc[nH]2)cc1N CHEBI:33067 [1,1,0,0,0,0|2,0,0]=4 229 B11R2.36 c1cc2c(cc[nH]2)cc1O CHEBI:89649 [1,1,0,0,0,0|2,0,0]=4 230 B11R2.106 C1=CC(=O)C2=CC=NC2=C1 CHEBI:51631 [1,1,0,0,0,0|2,0,0]=4 231 B11R2.106 C1=CC(=O)C2=NC=CC2=C1 CHEBI:51634 [1,1,0,0,0,0|2,0,0]=4 232 B11R2.106 c1cc2c(cc[nH]2)c(c1)O CHEBI:24702 [1,1,0,0,0,0|2,0,0]=4 233 B11R2.106 c1cc2cc[nH]c2c(c1)N CHEBI:33068 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.32 c1ccc2c(c1)c(=O)c(c[nH]2)O CHEBI:16569 [0,1,0,0,0,1|2,0,0]=4 235 B13R2.32 c1ccc2c(c1)c(c(cn2)O)O CHEBI:28788 [0,1,0,0,0,1|2,0,0]=4 236 B13R2.32 c1ccc2c(c1)ccc(c2O)O CHEBI:17435 [0,1,0,0,0,1|2,0,0]=4 237 B13R2.57 c1ccc2cc(ccc2c1)CO CHEBI:27615 [0,1,0,0,0,1|2,0,0]=4 238 B13R2.162 c1cc2ccc(nc2c(c1)O)O CHEBI:17715 [0,1,0,0,0,1|2,0,0]=4 239 B13R2.369 c1ccc2c(c1)NC(=O)C(O2)O CHEBI:63559 [0,1,0,0,0,1|1,0,1]=4 240 B13R2.369 c1ccc2cc(c(cc2c1)O)O CHEBI:38135 [0,1,0,0,0,1|2,0,0]=4 241 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O CHEBI:34466 [0,1,0,0,0,1|2,0,0]=4 242 B13R2.3683 c1cc(nc2c1cc(cc2)O)O CHEBI:48490 [0,1,0,0,0,1|2,0,0]=4 243 B13R2.5179 c1cc2cc(ccc2c(c1)O)O CHEBI:42040 [0,1,0,0,0,1|2,0,0]=4 244 B13R2.5179 c1cc2cc(cnc2c(c1)O)O CHEBI:66125 [0,1,0,0,0,1|2,0,0]=4 245 B13R2.342 c1cc2c(ccnc2O)c(c1)O CHEBI:64044 [0,1,0,0,0,1|1,0,0]=3 246 B13R2.342 c1cc2c(ccnc2c(c1)O)O CHEBI:28883 [0,1,0,0,0,1|2,0,0]=4 247 B13R2.371 c1ccc2c(c1)c(ccc2O)O CHEBI:34063 [0,1,0,0,0,1|2,0,0]=4 248 B13R2.1613 c1ccc2c(c1)cccc2CO CHEBI:38137 [0,1,0,0,0,1|2,0,0]=4 249 B13R2.1613 c1ccc2c(c1)cccc2NO CHEBI:34871 [0,1,0,0,0,1|2,0,0]=4 250 B13R2.1613 c1ccc2c(c1)cnnc2NN CHEBI:31672 [0,1,0,0,0,1|2,0,0]=4 251 B13R2.1613 c1ccc2c(c1)cnnc2NN CHEBI:5775 [0,1,0,0,0,1|2,0,0]=4 252 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCO CHEBI:17890 [0,2,0,0,0,0|2,0,0]=4 253 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O CHEBI:24809 [0,2,0,0,0,0|2,0,0]=4 254 B13R2.3790 c1cc(c(c2c1[nH]cc2O)Cl)Br CHEBI:90329 [0,2,0,0,0,0|2,0,0]=4 255 B11R2.20 c1ccc2c(c1)C=CCO2 CHEBI:35601 [0,0,1,1,0,0|2,0,0]=4 256 B11R2.20 c1ccc2c(c1)CC=CO2 CHEBI:35603 [0,0,1,1,0,0|2,0,0]=4 257 B11R2.20 c1ccc2c(c1)ccnn2 CHEBI:36617 [0,0,1,1,0,0|2,0,0]=4 258 B11R2.20 c1ccc2c(c1)cncn2 CHEBI:36621 [0,0,1,1,0,0|2,0,0]=4 259 B11R2.20 c1ccc2c(c1)ncnn2 CHEBI:38011 [0,0,1,1,0,0|2,0,0]=4 260 B11R2.20 c1ccc2cnccc2c1 CHEBI:16092 [0,0,1,1,0,0|2,0,0]=4 261 B9R2.3 C1=CC2=CC=CC2=C1 CHEBI:33074 [1,0,0,0,1,0|2,0,0]=4 262 B9R2.50 c1ccc2c(c1)CC2 CHEBI:87328 [1,0,0,0,1,0|1,0,1]=4 263 B11R1.86 c1ccc(c(c1)CC(=O)O)O CHEBI:28478 [0,0,1,0,0,1|1,0,0]=3 264 B11R1.86 c1ccc(c(c1)CC(=O)[O-])O CHEBI:62423 [0,0,1,0,0,1|1,0,1]=4