0 B10R1.61 CC(=O)c1ccccc1C T36788 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.61 Cc1ccccc1C(O)=O T8068 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.61 NC(=O)c1ccccc1O T0004 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.61 NC(=O)c1nccnc1O T7785 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 OC(=O)c1ccccc1I T20881 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.61 OC(=O)c1ccccc1O T0649 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.61 OC(=O)c1ccccc1O T27597 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.61 OC(=O)c1ncccc1O T5986 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.61 OC(=O)c1ncccc1S T12929 [0,0,0,0,0,0|2,1,0]=3 11 B10R1.61 Oc1ccccc1C(S)=S T31535 [0,0,0,0,0,0|1,1,0]=2 12 B10R1.61 Oc1ccccc1C([O-])=O T0335 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.61 Oc1ccccc1C([O-])=O T20668 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 NC(=S)c1ccncc1 T1365 [1,0,0,0,0,0|1,1,0]=3 24 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 OC(=O)c1cnccn1 T0569 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.15 COc1ccccc1O T1301 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 NCc1ccccc1O T41358 [1,0,0,0,0,0|0,0,1]=2 36 B9R1.15 OCc1ccccc1O T0311 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.53 COc1ccccc1C(O)=O T5874 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.53 OC(=O)c1ccccc1C=O TN6514 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.53 OCc1ccccc1C(O)=O T36787 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.53 [O-][N+](=O)c1ccccc1C=O T29358 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.87 Cc1ccccc1S(N)(=O)=O T0571 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.87 Nc1ccccc1S(N)(=O)=O T2187 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.87 Nc1ccccc1S(O)(=O)=O T4835 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.156 Cc1cccc(O)c1[N+]([O-])=O T21287 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.156 NC(=S)c1c(Cl)cccc1Cl T20919 [0,1,0,0,0,0|1,1,0]=3 46 B11R1.156 OC(=O)c1c(O)cccc1O T5873 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.159 C[C@@H](N)c1cccc(Cl)c1Cl T22956 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.159 Cc1c(Cl)cccc1[N+]([O-])=O T20277 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.159 Cc1cccc(C(O)=O)c1O T1423 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.159 Cc1cccc(c1C)[N+]([O-])=O T33692 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.159 Nc1c(O)cccc1C(O)=O T4707 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.159 OC(=O)c1cccc(O)c1O T4810 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.159 [O-][N+](=O)c1cccc(Cl)c1Cl T30354 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.166 Cc1cc(O)ccc1[N+]([O-])=O T21283 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.166 Nc1ccc(C([O-])=O)c(O)c1 T0020 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.166 OC(=O)c1cnc(O)nc1O T4711 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.167 NC(=O)c1nc(F)cnc1O T6833 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.167 Nc1ccc(Cl)cc1C(O)=O T0567 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.167 Nc1ccc(O)c(c1)C(O)=O T0646 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.167 OC(=O)c1cc(O)ccc1O T2857 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.167 OC(=O)c1nc(Cl)ccc1Cl T19953 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|1,0,0]=2 74 B9R0.2 C/C=C/C=C/C=C/C(O)=O T33059 [0,0,1,0,0,0|2,0,0]=3 75 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,0,0,1,0,0|3,0,0]=4 76 B11R2.1 Nn1nnc2ccccc12 T5953 [0,0,0,1,0,0|3,0,0]=4 77 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.41 CC(=O)c1occc1O T32217 [0,0,0,0,1,0|2,0,0]=3 79 B9R1.41 NC(=O)c1[nH]cnc1N T1722 [0,0,0,0,1,0|3,0,0]=4 80 B9R1.41 NC(=O)c1[nH]cnc1O T19214 [0,0,0,0,1,0|2,0,0]=3 81 B9R1.41 NC(=O)c1nc[nH]c1N T1705 [0,0,0,0,1,0|3,0,0]=4 82 B11R1.86 OC(=O)Cc1ccccc1O T5308 [0,0,0,0,0,1|1,0,0]=2 83 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|0,0,1]=3 84 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 86 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,2]=4 87 B8R1.5 Cc1ncccc1O T5901 [2,0,0,0,0,0|1,0,1]=4 88 B8R1.5 Nc1ccccc1I T20285 [2,0,0,0,0,0|1,0,0]=3 89 B8R1.5 Nc1ccncc1N T4497 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.5 Nc1ccncc1N T4497L [2,0,0,0,0,0|2,0,0]=4 91 B8R1.5 Nc1ncccc1O T7923 [2,0,0,0,0,0|1,0,0]=3 92 B8R1.5 Oc1coccc1=O TL0015 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.5 On1ccccc1=S T12593 [2,0,0,0,0,0|1,1,0]=4 94 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.15 COC(=O)c1cccnc1 T5562 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.15 COC(c1ncccc1)=O T22220 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.15 NC(=NO)c1ccccn1 T20580 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,2]=4 114 B10R1.15 NNC(=O)c1ccccn1 T1374 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.15 NNC(=O)c1cccnc1 T0664 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.15 NNC(=O)c1ccncc1 T0972 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,1,0,0,0,0|0,1,0]=3 118 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.28 NS(=O)(=O)c1ccccc1 T6781 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.28 OS(=O)(=O)c1ccccc1 T20417 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.113 C[n+]1cccc(c1)C(N)=O T4853 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.113 C[n+]1cccc(c1)C(O)=O T2927 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.113 C[n+]1cccc(c1)C([O-])=O T2887 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [1,1,0,0,0,0|0,0,0]=2 130 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [1,1,0,0,0,0|0,0,0]=2 131 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|0,0,0]=2 132 B10R1.113 OC(=O)c1ccc[n+]([O-])c1 T0067 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.113 [O-][N+](=O)c1cccc(F)c1 T21175 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|0,1,1]=4 138 B10R1.4 O/N=C/c1ccccc1O T20346 [1,1,0,0,0,0|0,0,1]=3 139 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.20 COc1ccccc1CN T1372 [1,1,0,0,0,0|0,0,1]=3 141 B10R1.20 COc1ccccc1OC T20326 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,1,0,0,0,0|0,0,0]=2 145 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,1,0,0,0,0|0,0,0]=2 146 B10R1.30 COc1cc(C)ccc1O T20446 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.30 COc1cc(N)ccc1O T21072 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.245 COc1c(C)cccc1O T29355 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.75 COc1ccccc1OC(C)=O T32015 [0,1,0,0,0,1|1,0,0]=3 150 B12R1.75 CSc1ccccc1NC(C)=O T2031 [0,1,0,0,0,1|1,1,0]=4 151 B12R1.127 OC(=O)Cc1cc(O)ccc1O TCS2070 [0,1,0,0,0,1|1,0,0]=3 152 B12R1.233 NC(=N)Nc1ccc(F)cc1F T50030 [0,1,0,0,0,1|2,0,0]=4 153 B12R1.233 OC(=O)Cc1ccc(O)cc1O TMA1130 [0,1,0,0,0,1|1,0,0]=3 154 B12R1.77 CNc1ccccc1C(OC)=O TN6731 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.261 CC(=O)c1ccccc1C(O)=O TMA0536 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.261 OC(=O)c1ccccc1C(O)=O T5603 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.261 OC(=O)c1cccnc1C(O)=O T4096 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.283 CCOc1ccccc1C(N)=O T0058 [0,2,0,0,0,0|0,0,0]=2 159 B12R1.437 COc1cccc(O)c1C(O)=O T5917 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.128 Oc1ccc(O)c(c1)S(O)(=O)=O T0002 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.128 Oc1ccc(O)c(c1)S([O-])(=O)=O T5939 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.894 Cc1c(Cl)ccc(O)c1[N+]([O-])=O T29432 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.1000 Cc1cc(O)cc(O)c1C(O)=O T2839 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.1000 OC(=O)c1c(O)cc(O)cc1O TN2710 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.3441 COC(=O)c1c(O)cccc1O TN4525 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.3441 COC(c1c(Cl)cccc1Cl)=O T22362 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.511 Nc1cc(Cl)cc(C(O)=O)c1Cl T14949 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.511 Nc1cc(Cl)cc(C([O-])=O)c1Cl T30888 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.893 OC(=O)c1ccc(O)c(O)c1O T8023 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.232 Cc1cc(O)c(cc1Cl)[N+]([O-])=O T21288 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.453 COc1ccc(O)c(c1)C(C)=O T3760 [0,2,0,0,0,0|1,0,0]=3 176 B12R1.453 COc1ccc(O)c(c1)C(O)=O T5888 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.308 NCCC(=O)c1ccccc1N T32431 [0,2,0,0,0,0|1,0,0]=3 179 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|1,0,1]=4 180 B10R2.7 c1[nH]nc2ccccc12 T2192 [1,0,0,1,0,0|1,0,0]=3 181 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|2,0,0]=4 182 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|2,0,0]=4 183 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|2,0,0]=4 184 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|2,0,0]=4 185 B12R2.2028 S=C1NC(=S)c2ccccc12 T25525 [0,1,0,1,0,0|0,2,0]=4 186 B12R2.612 Clc1ccc2c(c1)s[nH]c2=O T20972 [0,1,0,1,0,0|0,1,0]=3 187 B12R2.612 Fc1ccc2c(c1)s[nH]c2=O T5601 [0,1,0,1,0,0|0,1,0]=3 188 B12R2.1 NCc1c[nH]c2ccccc12 T19373 [0,1,0,1,0,0|2,0,0]=4 189 B12R2.1 O=Cc1c[nH]c2ccccc12 T8105 [0,1,0,1,0,0|2,0,0]=4 190 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,1,0,1,0,0|1,0,0]=3 191 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,0,0,0,1,0|1,0,1]=4 193 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,1,0|2,0,0]=4 194 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,0,0,0,1,0|2,0,0]=4 195 B8R1.7 OC(=O)c1ccco1 T5544 [1,0,0,0,1,0|2,0,0]=4 196 B8R1.7 OC(=O)c1ccoc1 T5277 [1,0,0,0,1,0|2,0,0]=4 197 B12R1.125 OC(=O)/C=C/c1ccccc1O T7991 [0,0,0,0,0,2|1,0,0]=3 198 B12R1.125 OC(=O)C=Cc1ccccc1Cl TN6659 [0,0,0,0,0,2|2,0,0]=4 199 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,0,0,0,0,2|1,0,0]=3