0 B10R1.25 CCc1ccc(C)cc1O T29345 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.25 CSc1ccc(C)cc1O T33232 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.25 Nc1[nH]c(=O)ncc1C=O T29453 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 NCc1ccc(O)cc1 T21095 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 OCc1ccc(O)cc1 T3752 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.15 COc1ccccc1O T1301 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 NCc1ccccc1O T41358 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.15 OCc1ccccc1O T0311 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.69 Cc1cc(O)ccc1N T21284 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.69 Cc1cc(ccc1O)O TN4871 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.69 Nc1ccc(F)cc1O T1370 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.37 COc1ccc(O)cc1OC T3745 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.81 Cc1ccc(c(c1)C)N=C=S T35213 [0,1,0,0,0,0|0,1,1]=3 28 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.166 Cc1cc(O)ccc1[N+]([O-])=O T21283 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.278 Cc1ncc(CO)c(C)c1O T38294 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.279 COc1ccc(CO)cc1O TN6810 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.464 Oc1cc(O)c(C=O)c(O)c1 TN1206 [0,1,0,0,0,0|2,0,0]=3 43 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,0,0,0,1,0|1,0,0]=2 45 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,1]=4 46 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 47 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,2]=4 48 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 Cc1ncccc1O T5901 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.5 Nc1ccccc1I T20285 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.5 Oc1coccc1=O TL0015 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.4 Cc1cccc(O)c1 T33229 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.4 Cc1cccc([O-])c1 T33983 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.4 Fc1cccc(Br)c1 T30352 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.4 Fc1cccc(I)c1 T21183 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.4 Fc1cccc(S)c1 T21187 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.4 Ic1cccc(I)c1 T21145 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.4 Oc1cccc(I)c1 T21200 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.3 COc1ccc(CO)cc1 T20309 [1,1,0,0,0,0|0,0,2]=4 61 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.4 C[n+]1ccccc1/C=N/O T1111 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.4 C[n+]1ccccc1/C=N/O T22404 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.4 O/N=C/c1ccccc1O T20346 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.20 COc1ccccc1CN T1372 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.20 COc1ccccc1OC T20326 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.61 NC(=O)c1ccccc1O T0004 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.61 OC(=O)c1ccccc1I T20881 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.61 OC(=O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.61 OC(=O)c1ccccc1O T27597 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.61 OC(=O)c1ncccc1O T5986 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.61 OC(=O)c1ncccc1S T12929 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.61 Oc1ccccc1C(S)=S T31535 [1,1,0,0,0,0|1,1,0]=4 90 B10R1.61 Oc1ccccc1C([O-])=O T0335 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.61 Oc1ccccc1C([O-])=O T20668 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.245 COc1c(C)cccc1O T29355 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.118 Cc1cc(O)c(Cl)cc1Cl T29426 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.119 Cc1c(Cl)ccc(O)c1Cl T33980 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.119 Cc1c(O)c(=O)ccn1C T1565 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,1,0,0,1,0|1,0,0]=3 99 B12R1.57 COc1cc(C)ccc1C(C)C TN6884 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.78 COc1ccc(CO)cc1OC T0657 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.69 C/N=C/Nc1ccc(Cl)cc1C T31374 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.232 Cc1cc(O)c(cc1Cl)[N+]([O-])=O T21288 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.893 Cc1ccc(C(O)=O)c(N)[n+]1[O-] T29400 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.893 OC(=O)c1ccc(O)c(O)c1O T8023 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.1000 CC(=O)c1c([O-])cc(C)oc1=O T22427 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.1000 Cc1cc(O)cc(O)c1C(O)=O T2839 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.1000 OC(=O)c1c(O)cc(O)cc1O TN2710 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.653 COc1ccc(C=O)c(O)c1O T21252 [0,2,0,0,0,0|1,0,0]=3 114 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|2,0,0]=4 115 B10R2.7 c1[nH]nc2ccccc12 T2192 [1,0,0,1,0,0|2,0,0]=4 116 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.612 Clc1ccc2c(c1)s[nH]c2=O T20972 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.612 Fc1ccc2c(c1)s[nH]c2=O T5601 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,0,0,0,1,0|1,0,0]=3 124 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,0,0,0,1,0|1,0,0]=3 125 B8R1.18 CC1=CC(=O)OC1=O TN6957 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.18 CC1OC(C)=CC1=O T22309 [1,0,0,0,1,0|1,0,1]=4