0 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.166 Cc1cc(O)ccc1[N+]([O-])=O T21283 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,0,0,0,0,0|0,0,0]=1 11 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.25 CCc1ccc(C)cc1O T29345 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.25 CSc1ccc(C)cc1O T33232 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.61 CC(=O)c1ccccc1C T36788 [1,0,0,0,0,0|0,0,0]=1 26 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.61 NC(=O)c1ccccc1O T0004 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.61 OC(=O)c1ccccc1I T20881 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.61 OC(=O)c1ccccc1O T0649 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.61 OC(=O)c1ccccc1O T27597 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.61 OC(=O)c1ncccc1O T5986 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.61 OC(=O)c1ncccc1S T12929 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.61 Oc1ccccc1C(S)=S T31535 [1,0,0,0,0,0|2,1,0]=4 36 B10R1.61 Oc1ccccc1C([O-])=O T0335 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.61 Oc1ccccc1C([O-])=O T20668 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.57 COc1cc(C)ccc1C(C)C TN6884 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.126 Cc1cc(O)ccc1C(C)(C)C T34182 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.126 Cc1ccc(c(O)c1)C(C)(C)O TN5868 [0,1,0,0,0,0|1,0,2]=4 41 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O T4088 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.232 CC(C)c1cc(Cl)c(C)cc1O T20242 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.232 Cc1cc(O)c(cc1Cl)[N+]([O-])=O T21288 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.893 Cc1ccc(C(O)=O)c(N)[n+]1[O-] T29400 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.893 OC(=O)c1ccc(O)c(O)c1O T8023 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.1000 CC(=O)C1C(=O)OC(C)=CC1=O T0899 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.1000 CC(=O)c1c([O-])cc(C)oc1=O T22427 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.1000 Cc1cc(O)cc(O)c1C(O)=O T2839 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.1000 OC(=O)c1c(O)cc(O)cc1O TN2710 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,1,0,0,0,0|2,0,0]=3 54 B12R2.612 Clc1ccc2c(c1)s[nH]c2=O T20972 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.612 Fc1ccc2c(c1)s[nH]c2=O T5601 [0,0,0,1,0,0|3,0,0]=4 56 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,0,0,0,1,0|1,0,0]=2 57 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,0,0,0,0,1|3,0,0]=4 58 B9R0.1 C/C(C)=C/CC=C(C)C=C TN6815 [1,0,1,0,0,0|1,0,1]=4 59 B9R0.1 C\C(C)=C/C=C/C(C)=C/C T20298 [1,0,1,0,0,0|1,0,0]=3 60 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [1,0,1,0,0,0|1,0,0]=3 61 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.1 COc1ccc(F)cc1 T0528 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.1 Oc1ccc(C=C)cc1 T13509 [2,0,0,0,0,0|1,0,1]=4 65 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|0,0,0]=2 67 B9R1.6 CC(=O)c1cnccn1 T5596 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|0,0,2]=4 69 B9R1.6 NC(=N)c1ccccc1 T8362 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 NC(=O)c1ccccc1 T6780 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.6 NC(=O)c1ccccn1 T6942 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 NC(=O)c1cccnc1 T0934 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.6 NC(=O)c1ccncc1 T0552 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [2,0,0,0,0,0|2,0,0]=4 75 B9R1.6 OC(=O)c1ccccc1 T0833 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 OC(=O)c1ccccn1 T4850 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.6 OC(=O)c1cccnc1 T0879 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.6 OC(=O)c1ccncc1 Fr13756 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.6 OP(=O)c1ccccc1 T20416 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|2,0,0]=4 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|1,0,1]=4 85 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [2,0,0,0,0,0|1,0,1]=4 88 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|1,0,1]=4 89 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [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 CC(C)c1ccc(C)c(O)c1 T4S1990 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.22 NNC(=O)c1ccc(N)cc1 T26389 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.37 COc1ccc(O)cc1OC T3745 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.81 CCCc1ccc(C)cc1O T33238 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.81 Cc1ccc(c(c1)C)N=C=S T35213 [1,1,0,0,0,0|0,1,1]=4 112 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [1,1,0,0,0,0|1,0,0]=3 114 B11R1.279 COc1ccc(CO)cc1O TN6810 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.464 Oc1cc(O)c(C=O)c(O)c1 TN1206 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.53 COc1ccccc1C(O)=O T5874 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.53 OC(=O)c1ccccc1C=O TN6514 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.53 OCc1ccccc1C(O)=O T36787 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.87 Cc1ccccc1S(N)(=O)=O T0571 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.156 Cc1cccc(O)c1[N+]([O-])=O T21287 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.156 OC(=O)c1c(O)cccc1O T5873 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.159 Cc1c(Cl)cccc1[N+]([O-])=O T20277 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.159 Cc1cccc(C(O)=O)c1O T1423 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.159 Cc1cccc(c1C)[N+]([O-])=O T33692 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.159 Nc1c(O)cccc1C(O)=O T4707 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.159 OC(=O)c1cccc(O)c1O T4810 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.167 Nc1ccc(Cl)cc1C(O)=O T0567 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.167 Nc1ccc(O)c(c1)C(O)=O T0646 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.167 OC(=O)c1cc(O)ccc1O T2857 [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|1,0,0]=3 134 B13R1.2679 Cc1cc(Br)ccc1NC(=O)CCl T4181 [0,1,0,0,0,1|1,0,0]=3 135 B13R1.315 COc1cc(O)cc(O)c1C(C)=O TN2719 [0,2,0,0,0,0|1,0,0]=3 136 B13R1.2398 COc1cc(N)c(Cl)cc1C(O)=O T0614 [0,2,0,0,0,0|2,0,0]=4 137 B13R1.428 COc1cc(O)c(C(C)=O)c(O)c1 TN2736 [0,2,0,0,0,0|1,0,0]=3 138 B13R1.3096 COc1ccc(C(C)=O)c(O)c1O TN2703 [0,2,0,0,0,0|1,0,0]=3 139 B13R1.3096 COc1ccc(C(O)=O)c(O)c1O TN2704 [0,2,0,0,0,0|2,0,0]=4 140 B13R1.3230 COc1c(O)ccc(C(C)=O)c1O TN2717 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.4656 CCC(=O)c1c(O)cc(O)cc1O T0525 [0,2,0,0,0,0|2,0,0]=4 142 B13R1.4656 COC(=O)c1c(O)cc(O)cc1O TN5779 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,0,1,1,0,0|1,0,1]=4 144 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,0,0,1,0,0|2,0,0]=4 145 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|0,0,0]=2 146 B13R2.3683 Cc1ccc2nc(C)ccc2c1 T37784 [0,0,0,1,0,1|1,0,1]=4 147 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [0,0,0,1,0,1|0,0,2]=4 148 B13R2.5179 Clc1ccc2C(=O)CCCc2c1 T21355 [0,1,0,1,0,0|1,0,0]=3 149 B13R2.11642 Oc1cc2COC(=O)c2c(O)c1 TN5688 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [1,0,0,0,1,0|1,0,0]=3 151 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [1,0,0,0,1,0|1,0,0]=3 152 B9R1.41 CC(=O)c1occc1O T32217 [1,0,0,0,1,0|2,0,0]=4 153 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [1,0,0,0,0,1|0,0,0]=2 154 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,0,0,0,0,1|1,0,0]=3 155 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,0,0,0,0,1|1,0,0]=3 156 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [1,0,0,0,0,1|2,0,0]=4 157 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [1,0,0,0,0,1|2,0,0]=4 158 B11R1.86 OC(=O)Cc1ccccc1O T5308 [1,0,0,0,0,1|2,0,0]=4 159 B13R1.164 Cc1cc(Cl)ccc1OCC(O)=O T20701 [0,0,0,0,0,2|2,0,0]=4 160 B13R1.164 Cc1cc(Cl)ccc1OCC([O-])=O T33228 [0,0,0,0,0,2|2,0,0]=4