0 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 Cc1cc(O)ccc1[N+]([O-])=O T21283 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.166 Nc1nc(O)ccc1[N+]([O-])=O T19157 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,0,0,0,0,0|0,0,0]=0 11 B11R1.166 OC(=O)c1cnc(O)nc1O T4711 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,0,0,0,0,0|0,0,0]=1 22 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.25 CCc1ccc(C)cc1O T29345 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.25 CSc1ccc(C)cc1O T33232 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,0,0,0,0,0|0,0,0]=1 27 B10R1.61 CC(=O)c1ccccc1C T36788 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.61 NC(=O)c1ccccc1O T0004 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.61 NC(=O)c1nccnc1O T7785 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.61 OC(=O)c1ccccc1I T20881 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.61 OC(=O)c1ccccc1O T0649 [1,0,0,0,0,0|0,0,0]=1 35 B10R1.61 OC(=O)c1ccccc1O T27597 [1,0,0,0,0,0|0,0,0]=1 36 B10R1.61 OC(=O)c1ncccc1O T5986 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.61 OC(=O)c1ncccc1S T12929 [1,0,0,0,0,0|1,1,0]=3 38 B10R1.61 Oc1ccccc1C(S)=S T31535 [1,0,0,0,0,0|0,2,0]=3 39 B10R1.61 Oc1ccccc1C([O-])=O T0335 [1,0,0,0,0,0|0,0,1]=2 40 B10R1.61 Oc1ccccc1C([O-])=O T20668 [1,0,0,0,0,0|0,0,1]=2 41 B12R1.126 Cc1ccc(c(O)c1)C(C)(C)O TN5868 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.232 Cc1cc(O)c(cc1Cl)[N+]([O-])=O T21288 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.893 Cc1ccc(C(O)=O)c(N)[n+]1[O-] T29400 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.893 OC(=O)c1ccc(O)c(O)c1O T8023 [0,1,0,0,0,0|0,0,0]=1 47 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.1000 Cc1cc(O)cc(O)c1C(O)=O T2839 [0,1,0,0,0,0|0,0,0]=1 49 B12R1.1000 OC(=O)c1c(O)cc(O)cc1O TN2710 [0,1,0,0,0,0|0,0,0]=1 50 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,1,0,0,0,0|0,0,0]=1 51 B12R2.612 Clc1ccc2c(c1)s[nH]c2=O T20972 [0,0,0,1,0,0|2,1,0]=4 52 B12R2.612 Fc1ccc2c(c1)s[nH]c2=O T5601 [0,0,0,1,0,0|2,1,0]=4 53 B12R2.612 Oc1n[nH]c2cc(F)ccc12 T5206 [0,0,0,1,0,0|3,0,0]=4 54 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,0,0,0,0,1|0,0,0]=1 55 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [1,0,1,0,0,0|1,0,0]=3 56 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 NCc1ccc(O)cc1 T21095 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.1 OCc1ccc(O)cc1 T3752 [2,0,0,0,0,0|0,0,1]=3 60 B9R1.1 OCc1ccc(cn1)O T40502 [2,0,0,0,0,0|1,0,1]=4 61 B9R1.1 Oc1ccc(C=C)cc1 T13509 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [2,0,0,0,0,0|0,0,0]=2 63 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,1]=4 65 B9R1.6 NC(=N)c1ccccc1 T8362 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 NC(=O)c1ccccc1 T6780 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.6 NC(=O)c1ccccn1 T6942 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 NC(=O)c1cccnc1 T0934 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.6 NC(=O)c1ccncc1 T0552 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [2,0,0,0,0,0|1,0,0]=3 71 B9R1.6 OB(O)c1ccccc1 T30355 [2,0,0,0,0,0|1,0,1]=4 72 B9R1.6 OC(=O)c1ccccc1 T0833 [2,0,0,0,0,0|0,0,0]=2 73 B9R1.6 OC(=O)c1ccccn1 T4850 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.6 OC(=O)c1cccnc1 T0879 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.6 OC(=O)c1ccncc1 Fr13756 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 OC(=O)c1cnccn1 T0569 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.6 OP(=O)c1ccccc1 T20416 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [2,0,0,0,0,0|0,0,1]=3 79 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [2,0,0,0,0,0|1,0,1]=4 80 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 NCc1ccccc1O T41358 [2,0,0,0,0,0|1,0,1]=4 82 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|0,0,1]=3 83 B9R1.69 Cc1cc(O)ccc1N T21284 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.69 Cc1cc(ccc1O)O TN4871 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.69 Nc1ccc(F)cc1O T1370 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [2,0,0,0,0,0|1,0,0]=3 89 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [1,1,0,0,0,0|0,0,0]=2 90 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [1,1,0,0,0,0|0,0,1]=3 93 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.19 Nc1ccc(cc1)[Sb](O)(O)=O T33637 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [1,1,0,0,0,0|0,0,0]=2 97 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.21 Cn1cc(ccc1=O)C(O)=O T6981 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [1,1,0,0,0,0|0,0,0]=2 100 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|0,0,0]=2 102 B11R1.21 Oc1ccc(cc1Cl)[N+]([O-])=O T9443 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [1,1,0,0,0,0|0,0,0]=2 105 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [1,1,0,0,0,0|0,0,1]=3 110 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.37 COc1ccc(O)cc1OC T3745 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.81 Oc1ccc(CC#N)c(O)c1 TN2721 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [1,1,0,0,0,0|0,0,0]=2 114 B11R1.279 COc1ccc(CO)cc1O TN6810 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.464 COc1c(O)cc(O)cc1O T19380 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.464 Oc1cc(O)c(C=O)c(O)c1 TN1206 [1,1,0,0,0,0|0,0,0]=2 117 B11R1.53 COc1ccccc1C(O)=O T5874 [1,1,0,0,0,0|0,0,0]=2 118 B11R1.53 OC(=O)c1ccccc1C=O TN6514 [1,1,0,0,0,0|0,0,1]=3 119 B11R1.53 OCc1ccccc1C(O)=O T36787 [1,1,0,0,0,0|0,0,0]=2 120 B11R1.87 Nc1ccccc1S(O)(=O)=O T4835 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.156 Cc1cccc(O)c1[N+]([O-])=O T21287 [1,1,0,0,0,0|1,0,1]=4 122 B11R1.156 OC(=O)c1c(O)cccc1O T5873 [1,1,0,0,0,0|0,0,0]=2 123 B11R1.159 Cc1cccc(C(O)=O)c1O T1423 [1,1,0,0,0,0|0,0,0]=2 124 B11R1.159 Nc1c(O)cccc1C(O)=O T4707 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.159 OC(=O)c1cccc(O)c1O T4810 [1,1,0,0,0,0|0,0,0]=2 126 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.167 Nc1ccc(Cl)cc1C(O)=O T0567 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.167 Nc1ccc(O)c(c1)C(O)=O T0646 [1,1,0,0,0,0|0,0,0]=2 129 B11R1.167 OC(=O)c1cc(O)ccc1O T2857 [1,1,0,0,0,0|0,0,0]=2 130 B11R1.167 OC(=O)c1nc(Cl)ccc1Cl T19953 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.222 CCC(=O)c1ccccc1O T20371 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.222 COC(=O)c1ccccc1N TN1925 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|0,0,0]=2 134 B13R1.315 COc1cc(O)cc(O)c1C(C)=O TN2719 [0,2,0,0,0,0|1,0,0]=3 135 B13R1.2398 COc1cc(N)c(Cl)cc1C(O)=O T0614 [0,2,0,0,0,0|1,0,0]=3 136 B13R1.428 COc1cc(O)c(C(C)=O)c(O)c1 TN2736 [0,2,0,0,0,0|1,0,0]=3 137 B13R1.3096 COc1ccc(C(C)=O)c(O)c1O TN2703 [0,2,0,0,0,0|1,0,0]=3 138 B13R1.3096 COc1ccc(C(O)=O)c(O)c1O TN2704 [0,2,0,0,0,0|0,0,0]=2 139 B13R1.3230 COc1c(O)ccc(C(C)=O)c1O TN2717 [0,2,0,0,0,0|1,0,0]=3 140 B13R1.4656 CCC(=O)c1c(O)cc(O)cc1O T0525 [0,2,0,0,0,0|1,0,0]=3 141 B13R1.4656 COC(=O)c1c(O)cc(O)cc1O TN5779 [0,2,0,0,0,0|0,0,0]=2 142 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,0,1,1,0,0|1,0,1]=4 143 B11R2.36 Oc1ccc2OCOc2c1 T3676 [1,0,0,1,0,0|2,0,0]=4 144 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [1,0,0,1,0,0|2,0,0]=4 145 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|2,0,0]=4 146 B13R2.3683 Oc1ccc2oc(=O)ccc2c1 T2S0357 [0,0,0,1,0,1|2,0,0]=4 147 B13R2.5179 Oc1ccc2c(c1)occc2=O T7345 [0,1,0,1,0,0|1,0,0]=3 148 B13R2.11642 Oc1cc2COC(=O)c2c(O)c1 TN5688 [0,1,0,1,0,0|0,0,0]=2 149 B9R0.79 OC(=O)C(/O)=C(\O)C(O)=O T4931 [0,0,1,0,1,0|2,0,0]=4 150 B9R1.41 CC(=O)c1occc1O T32217 [1,0,0,0,1,0|2,0,0]=4 151 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [1,0,0,0,0,1|2,0,0]=4 152 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,0,0,0,0,1|1,0,0]=3 153 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,0,0,0,0,1|1,0,0]=3 154 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [1,0,0,0,0,1|2,0,0]=4 155 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [1,0,0,0,0,1|0,0,0]=2 156 B11R1.86 OC(=O)Cc1ccccc1O T5308 [1,0,0,0,0,1|0,0,0]=2 157 B11R1.74 OC(=O)c1cc(O)cc(Cl)c1 T7482 [0,0,0,0,1,1|1,0,0]=3 158 B11R1.74 OC(=O)c1cc(O)cc(O)c1 T0570 [0,0,0,0,1,1|0,0,0]=2 159 B11R1.74 OC(=O)c1cc(O)nc(O)c1 T20863 [0,0,0,0,1,1|1,0,0]=3 160 B13R1.164 Cc1cc(Cl)ccc1OCC(O)=O T20701 [0,0,0,0,0,2|2,0,0]=4 161 B13R1.164 OC(=O)CCc1ccc(O)cc1O T3737 [0,0,0,0,0,2|0,0,0]=2 162 B13R1.164 OC(=O)COc1ccc(Cl)cc1Cl T20945 [0,0,0,0,0,2|2,0,0]=4