0 B14R2.781 B(c1cc2ccccc2nc1)(O)O H53021 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.781 B(c1cc2ccccc2nc1)(O)O L20088 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O H30380 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O H52867 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.781 B(c1ccc2ccccc2c1)(O)O B24157 [0,0,0,0,0,0|2,0,1]=3 5 B14R2.781 CC(=O)c1cc2ccccc2nc1 H33206 [0,0,0,0,0,0|1,0,0]=1 6 B14R2.781 CC(=O)c1ccc2c(c1)CCCC2 A14666 [0,0,0,0,0,0|0,0,4]=4 7 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 A15506 [0,0,0,0,0,0|2,0,2]=4 8 B14R2.781 CC(=O)c1ccc2ccccc2c1 A14793 [0,0,0,0,0,0|0,0,0]=0 9 B14R2.781 CC(=O)c1cnc2ccccc2n1 H26680 [0,0,0,0,0,0|2,0,0]=2 10 B14R2.781 CC(C)c1ccc2ccccc2c1 A15153 [0,0,0,0,0,0|1,0,1]=2 11 B14R2.781 CC(c1ccc2ccccc2c1)O L05108 [0,0,0,0,0,0|0,0,2]=2 12 B14R2.781 C[C@@H](c1ccc2ccccc2c1)N L17024 [0,0,0,0,0,0|1,0,1]=2 13 B14R2.781 C[C@H](c1ccc2ccccc2c1)N L17023 [0,0,0,0,0,0|1,0,1]=2 14 B14R2.781 c1cc2c(cc1C(=O)O)nccn2 H33157 [0,0,0,0,0,0|3,0,0]=3 15 B14R2.781 c1cc2cc(ccc2nc1)C(=O)O A18223 [0,0,0,0,0,0|2,0,0]=2 16 B14R2.781 c1cc2cc(ccc2nc1)[N+](=O)[O-] A17212 [0,0,0,0,0,0|3,0,0]=3 17 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O L15133 [0,0,0,0,0,0|2,0,0]=2 18 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O A10192 [0,0,0,0,0,0|2,0,0]=2 19 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O H59780 [0,0,0,0,0,0|3,0,0]=3 20 B14R2.781 c1ccc2cc(ccc2c1)C(=O)Cl A14046 [0,0,0,0,0,0|1,0,0]=1 21 B14R2.781 c1ccc2cc(ccc2c1)C(=O)N L08391 [0,0,0,0,0,0|1,0,0]=1 22 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O L05102 [0,0,0,0,0,0|1,0,0]=1 23 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38590 [0,0,0,0,0,0|1,0,0]=1 24 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38593 [0,0,0,0,0,0|1,0,0]=1 25 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38609 [0,0,0,0,0,0|1,0,0]=1 26 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39455 [0,0,0,0,0,0|1,0,0]=1 27 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39554 [0,0,0,0,0,0|1,0,0]=1 28 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39568 [0,0,0,0,0,0|1,0,0]=1 29 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39585 [0,0,0,0,0,0|1,0,0]=1 30 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 40387 [0,0,0,0,0,0|1,0,0]=1 31 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 43752 [0,0,0,0,0,0|1,0,0]=1 32 B14R2.781 c1ccc2cc(ccc2c1)C(=S)N H26324 [0,0,0,0,0,0|1,1,0]=2 33 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O A19880 [0,0,0,0,0,0|2,0,0]=2 34 B13R2.57 C=Cc1ccc2ccccc2c1 A12470 [1,0,0,0,0,0|0,0,1]=2 35 B13R2.57 COc1ccc2c(c1)cccn2 A11736 [1,0,0,0,0,0|2,0,0]=3 36 B13R2.57 COc1ccc2c(c1)nccn2 H63396 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.57 COc1ccc2ccccc2c1 A17650 [1,0,0,0,0,0|1,0,0]=2 38 B13R2.57 CSc1ccc2ccccc2c1 B22368 [1,0,0,0,0,0|1,0,0]=2 39 B13R2.57 c1cc2cc(ccc2nc1)CN H66548 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.57 c1ccc2c(c1)cc(cn2)C=O L13815 [1,0,0,0,0,0|1,0,0]=2 41 B13R2.57 c1ccc2c(c1)ccc(n2)C#N L19427 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [1,0,0,0,0,0|1,0,0]=2 43 B13R2.57 c1ccc2c(c1)ccc(n2)CCl A14102 [1,0,0,0,0,0|2,0,1]=4 44 B13R2.57 c1ccc2c(c1)ccc(n2)NN H50700 [1,0,0,0,0,0|3,0,0]=4 45 B13R2.57 c1ccc2cc(ccc2c1)C#N L03704 [1,0,0,0,0,0|1,0,1]=3 46 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [1,0,0,0,0,0|0,0,0]=1 47 B13R2.57 c1ccc2cc(ccc2c1)CBr B24568 [1,0,0,0,0,0|1,0,1]=3 48 B13R2.57 c1ccc2cc(ccc2c1)CCl H50242 [1,0,0,0,0,0|1,0,1]=3 49 B13R2.57 c1ccc2cnc(cc2c1)C#N L19426 [1,0,0,0,0,0|2,0,1]=4 50 B15R2.627 CC(=O)c1ccc2ccccc2c1O A19532 [0,1,0,0,0,0|0,0,0]=1 51 B15R2.627 c1cc2c(ccc(c2N)[N+](=O)[O-])nc1 L02078 [0,1,0,0,0,0|3,0,0]=4 52 B15R2.627 c1ccc2c(c1)c(=O)c(co2)C(=O)O A14422 [0,1,0,0,0,0|2,0,0]=3 53 B15R2.627 c1ccc2c(c1)ccc(c2O)C(=O)O A12785 [0,1,0,0,0,0|1,0,0]=2 54 B15R2.984 CC(=O)c1cc2ccccc2oc1=O A12532 [0,1,0,0,0,0|1,0,0]=2 55 B15R2.984 Cc1c(nc2ccccc2n1)C(=O)[O-] H35252 [0,1,0,0,0,0|3,0,0]=4 56 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)O L07133 [0,1,0,0,0,0|2,0,0]=3 57 B15R2.984 c1ccc2c(c1)nc(c(n2)Cl)C(=O)O H66144 [0,1,0,0,0,0|3,0,0]=4 58 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)N L19312 [0,1,0,0,0,0|1,0,0]=2 59 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O A19214 [0,1,0,0,0,0|1,0,0]=2 60 B15R2.1601 COC(=O)c1cc2ccccc2cn1 B20181 [0,1,0,0,0,0|1,0,0]=2 61 B15R2.1601 COC(=O)c1ccc2c(c1)nccn2 A16689 [0,1,0,0,0,0|2,0,0]=3 62 B15R2.1601 COC(=O)c1ccc2ccccc2c1 L09973 [0,1,0,0,0,0|0,0,0]=1 63 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)CBr B23960 [0,1,0,0,0,0|0,0,0]=1 64 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)NN L08038 [0,1,0,0,0,0|1,0,0]=2 65 B15R2.4441 [B-](c1ccc2ccccc2c1)(F)(F)F H52901 [0,1,0,0,0,0|3,0,0]=4 66 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)Cl A16872 [0,1,0,0,0,0|2,0,0]=3 67 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)N L09164 [0,1,0,0,0,0|2,0,0]=3 68 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O A13445 [0,1,0,0,0,0|2,0,0]=3 69 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O H56685 [0,1,0,0,0,0|2,0,0]=3 70 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)[O-] A13066 [0,1,0,0,0,0|2,0,0]=3 71 B15R2.7174 CC(=O)c1ccc2c(c1)NC(=O)CO2 H27407 [0,1,0,0,0,0|2,0,1]=4 72 B15R2.7174 c1cc2c(cc1Cl)C=C(CO2)C(=O)O A13425 [0,1,0,0,0,0|2,0,1]=4 73 B15R2.7180 B(c1ccc2cc(ccc2c1)O)(O)O H53074 [0,1,0,0,0,0|2,0,1]=4 74 B15R2.7180 Cc1ccc2cc(ccc2n1)C(=O)O H63790 [0,1,0,0,0,0|2,0,0]=3 75 B15R2.7180 Cc1ccc2cc(ccc2n1)[N+](=O)[O-] A10945 [0,1,0,0,0,0|3,0,0]=4 76 B15R2.7180 c1cc(=O)oc2c1cc(cc2)[N+](=O)[O-] A14792 [0,1,0,0,0,0|3,0,0]=4 77 B15R2.7180 c1cc(cc2c1cc(cc2)Br)C(=O)O L16093 [0,1,0,0,0,0|1,0,0]=2 78 B15R2.7180 c1cc(cc2c1cc(cc2)O)C(=O)O B21791 [0,1,0,0,0,0|1,0,0]=2 79 B15R2.14951 c1ccc2c(c1)c(=O)cc(o2)C(=O)O A13552 [0,1,0,0,0,0|2,0,0]=3 80 B15R2.14951 c1ccc2c(c1)c(cc(n2)C(=O)O)O A12602 [0,1,0,0,0,0|2,0,0]=3 81 B15R2.61353 c1cc2c(cc1[N+](=O)[O-])c(=O)cco2 H27167 [0,1,0,0,0,0|3,0,0]=4 82 B15R2.61353 c1cc2ccc(nc2c(c1)O)C(=O)O H27054 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.74 CN(C)c1ccc(cc1)\C=C\C=O B24741 [0,0,1,0,0,0|3,0,0]=4 84 B13R1.74 c1cc(ccc1\C=C\C=O)[N+](=O)[O-] A11467 [0,0,1,0,0,0|3,0,0]=4 85 B13R1.90 COc1ccccc1\C=C\C(=O)O A15173 [0,0,1,0,0,0|2,0,1]=4 86 B13R1.418 c1ccc(cc1)\C=C(/C#N)\C(=O)O L04133 [0,0,1,0,0,0|2,0,1]=4 87 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 A16221 [0,0,0,0,1,0|1,0,0]=2 88 B13R2.72 CC(=O)c1csc2c1cccc2 A10330 [0,0,0,0,1,0|1,0,0]=2 89 B13R2.72 c1cc2c(c[nH]c2nc1)C(=O)O H59866 [0,0,0,0,1,0|3,0,0]=4 90 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O H34344 [0,0,0,0,1,0|1,0,1]=3 91 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O A12634 [0,0,0,0,1,0|2,0,0]=3 92 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=S)N H54438 [0,0,0,0,1,0|2,1,0]=4 93 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O H50105 [0,0,0,0,1,0|2,0,0]=3 94 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O H64001 [0,0,0,0,1,0|3,0,0]=4 95 B13R2.430 CC(=O)c1cc2cc[nH]c2nc1 H33923 [0,0,0,0,1,0|2,0,0]=3 96 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 A19102 [0,0,0,0,1,0|0,0,3]=4 97 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 B20265 [0,0,0,0,1,0|1,0,2]=4 98 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 A13597 [0,0,0,0,1,0|2,0,1]=4 99 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O L16019 [0,0,0,0,1,0|2,0,0]=3 100 B13R2.430 c1cc(cc2c1cc[nH]2)[N+](=O)[O-] A12927 [0,0,0,0,1,0|3,0,0]=4 101 B13R2.430 c1cc2c(cc1C(=O)N)scn2 H34216 [0,0,0,0,1,0|3,0,0]=4 102 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 H32535 [0,0,0,0,1,0|3,0,0]=4 103 B13R2.430 c1cc2c(cc1C(=O)O)nc[nH]2 A15980 [0,0,0,0,1,0|3,0,0]=4 104 B13R2.430 c1cc2c(cc1C(=O)O)scn2 H31868 [0,0,0,0,1,0|3,0,0]=4 105 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O A18627 [0,0,0,0,1,0|2,0,0]=3 106 B13R2.430 c1cc2c(cc[nH]2)cc1[N+](=O)[O-] A10608 [0,0,0,0,1,0|3,0,0]=4 107 B13R2.430 c1cc2nccn2cc1C(=O)Cl H35174 [0,0,0,0,1,0|3,0,0]=4 108 B13R2.430 c1cc2nccn2cc1C(=O)O H33128 [0,0,0,0,1,0|3,0,0]=4 109 B13R2.435 CC(=O)c1cc2ccccc2o1 L13771 [0,0,0,0,1,0|1,0,0]=2 110 B13R2.435 CC(=O)c1cc2ccccc2s1 B21173 [0,0,0,0,1,0|1,0,0]=2 111 B13R2.435 c1cc2c(cc(o2)C(=O)O)nc1 H34400 [0,0,0,0,1,0|3,0,0]=4 112 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A18690 [0,0,0,0,1,0|2,0,0]=3 113 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O A15579 [0,0,0,0,1,0|2,0,0]=3 114 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl L08140 [0,0,0,0,1,0|2,0,0]=3 115 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N A12292 [0,0,0,0,1,0|2,0,0]=3 116 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O A12471 [0,0,0,0,1,0|2,0,0]=3 117 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)Cl L19631 [0,0,0,0,1,0|3,0,0]=4 118 B13R2.435 c1ccn2cc(nc2c1)C(=O)O H35025 [0,0,0,0,1,0|3,0,0]=4 119 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 A18487 [0,0,0,0,0,1|0,0,0]=1 120 B15R2.1668 c1ccc2cc(ccc2c1)CC(=O)O A13528 [0,0,0,0,0,1|1,0,0]=2 121 B12R1.71 C=CCOc1ccc(cc1)C=O A13773 [1,0,1,0,0,0|1,0,1]=4 122 B12R1.71 COc1ccc(cc1)\C=C\C=O A12839 [1,0,1,0,0,0|2,0,0]=4 123 B12R1.125 Cc1ccccc1\C=C\C(=O)O A14644 [1,0,1,0,0,0|1,0,1]=4 124 B12R1.125 c1ccc(c(c1)\C=C\C(=O)Cl)Cl L10521 [1,0,1,0,0,0|2,0,0]=4 125 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Br A11381 [1,0,1,0,0,0|2,0,0]=4 126 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl L01606 [1,0,1,0,0,0|2,0,0]=4 127 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A15303 [1,0,1,0,0,0|2,0,0]=4 128 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O A11740 [1,0,1,0,0,0|2,0,0]=4 129 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [1,0,1,0,0,0|1,0,1]=4 130 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [1,0,1,0,0,0|2,0,0]=4 131 B12R2.24 Cc1cc2ccccc2nc1 A13109 [2,0,0,0,0,0|1,0,0]=3 132 B12R2.24 Cc1ccc2c(c1)cccn2 B21892 [2,0,0,0,0,0|1,0,0]=3 133 B12R2.24 Cc1ccc2c(c1)nccn2 L11090 [2,0,0,0,0,0|2,0,0]=4 134 B12R2.24 Cc1ccc2ccccc2c1 L02459 [2,0,0,0,0,0|0,0,0]=2 135 B12R2.24 Cc1ccc2ccccc2n1 A13412 [2,0,0,0,0,0|1,0,0]=3 136 B12R2.24 Cc1ccc2cccnc2c1 42475 [2,0,0,0,0,0|1,0,0]=3 137 B12R2.24 Cc1ccc2cccnc2n1 H34032 [2,0,0,0,0,0|2,0,0]=4 138 B12R2.24 Cc1cnc2ccccc2n1 A15895 [2,0,0,0,0,0|2,0,0]=4 139 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [2,0,0,0,0,0|2,0,0]=4 140 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [2,0,0,0,0,0|1,0,1]=4 141 B12R2.24 c1cc2cc(ccc2nc1)Br H55111 [2,0,0,0,0,0|2,0,0]=4 142 B12R2.24 c1cc2cc(ccc2nc1)Cl L20164 [2,0,0,0,0,0|2,0,0]=4 143 B12R2.24 c1cc2cc(ccc2nc1)F H35900 [2,0,0,0,0,0|2,0,0]=4 144 B12R2.24 c1cc2cc(ccc2nc1)N L13819 [2,0,0,0,0,0|2,0,0]=4 145 B12R2.24 c1cc2ccc(cc2nc1)Br H63987 [2,0,0,0,0,0|2,0,0]=4 146 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [2,0,0,0,0,0|2,0,0]=4 147 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [2,0,0,0,0,0|2,0,0]=4 148 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [2,0,0,0,0,0|2,0,0]=4 149 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [2,0,0,0,0,0|1,0,0]=3 150 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [2,0,0,0,0,0|2,0,0]=4 151 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [2,0,0,0,0,0|2,0,0]=4 152 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [2,0,0,0,0,0|1,0,1]=4 153 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [2,0,0,0,0,0|1,1,0]=4 154 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] A19738 [2,0,0,0,0,0|1,0,1]=4 155 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] L14794 [2,0,0,0,0,0|1,0,1]=4 156 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [2,0,0,0,0,0|1,0,0]=3 157 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [2,0,0,0,0,0|0,0,1]=3 158 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [2,0,0,0,0,0|1,0,0]=3 159 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [2,0,0,0,0,0|1,0,1]=4 160 B14R1.419 c1cc(ccc1\C=C\C(=O)O)C(=O)O A14796 [0,1,1,0,0,0|2,0,0]=4 161 B14R1.4522 c1ccc(c(c1)\C=C\C(=O)O)C(=O)O L01467 [0,1,1,0,0,0|2,0,0]=4 162 B14R1.1017 CC(=O)\C(=N/O)\C(=O)c1ccccc1 L17073 [0,1,1,0,0,0|2,0,0]=4 163 B14R1.4513 CC(=O)C(=Cc1ccccc1)C(=O)C L00623 [0,1,1,0,0,0|0,0,1]=3 164 B14R2.92 COc1ccc2ccccc2c1Br A18926 [1,1,0,0,0,0|1,0,0]=3 165 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C=O A15438 [1,1,0,0,0,0|1,0,0]=3 166 B14R2.92 c1ccc2c(c1)ccc(c2Br)CBr H50240 [1,1,0,0,0,0|1,0,1]=4 167 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O A11980 [1,1,0,0,0,0|1,0,0]=3 168 B14R2.112 CCOc1ccc2ccccc2c1 B23327 [1,1,0,0,0,0|0,0,1]=3 169 B14R2.112 c1ccc2cc(ccc2c1)CC#N L09384 [1,1,0,0,0,0|0,0,2]=4 170 B14R2.112 c1ccc2cc(ccc2c1)N=C=O H51076 [1,1,0,0,0,0|0,0,1]=3 171 B14R2.134 COc1ccc2ccc(=O)oc2c1 A15441 [1,1,0,0,0,0|2,0,0]=4 172 B14R2.134 c1cc2c(cc1O)C=C(CO2)C=O L14742 [1,1,0,0,0,0|1,0,1]=4 173 B14R2.142 COc1cc2c(cccc2Br)nc1 H54919 [1,1,0,0,0,0|2,0,0]=4 174 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [1,1,0,0,0,0|1,0,0]=3 175 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C=O H27133 [1,1,0,0,0,0|1,0,0]=3 176 B14R2.1801 Cc1ccnc2c1ccc(c2)OC H32486 [1,1,0,0,0,0|2,0,0]=4 177 B14R2.2332 COc1ccc2cc(ccc2c1)Br A19450 [1,1,0,0,0,0|1,0,0]=3 178 B14R2.2332 COc1ccc2cc(ccc2c1)[Mg+] H54076 [1,1,0,0,0,0|1,0,0]=3 179 B14R2.2332 COc1ccc2cc(ccc2n1)Br H54226 [1,1,0,0,0,0|2,0,0]=4 180 B14R2.2332 Cc1ccc2cc(ccc2n1)C=O H63651 [1,1,0,0,0,0|1,0,0]=3 181 B14R2.2332 Cc1ccc2cc(ccc2n1)OC B22199 [1,1,0,0,0,0|2,0,0]=4 182 B14R2.2332 c1cc(nc2c1cc(cc2)F)C=O H66052 [1,1,0,0,0,0|1,0,0]=3 183 B14R2.95 COC(=O)c1c[nH]c2c1cccc2 L14516 [0,1,0,0,1,0|1,0,0]=3 184 B14R2.95 COC(=O)c1c[nH]c2c1cccn2 H34248 [0,1,0,0,1,0|2,0,0]=4 185 B14R2.300 CC(=O)n1ccc2c1ccc(c2)Br H63745 [0,1,0,0,1,0|1,0,0]=3 186 B14R2.5816 c1cc2c(cc1Br)c(c[nH]2)C(=O)O H64834 [0,1,0,0,1,0|2,0,0]=4 187 B14R2.601 CC(=O)c1ccc2c(c1)oc(=O)[nH]2 H27368 [0,1,0,0,1,0|2,0,0]=4 188 B14R2.601 CC(=O)c1ccc2c(c1)sc(=O)[nH]2 H27154 [0,1,0,0,1,0|2,0,0]=4 189 B14R2.966 COC(=O)c1ccc2c(c1)cc[nH]2 L16228 [0,1,0,0,1,0|1,0,0]=3 190 B14R2.966 COC(=O)c1ccc2cc[nH]c2c1 L16020 [0,1,0,0,1,0|1,0,0]=3 191 B14R2.966 COC(=O)c1ccc2cn[nH]c2c1 H32933 [0,1,0,0,1,0|2,0,0]=4 192 B14R2.966 COC(=O)c1ccn2ccnc2c1 H35310 [0,1,0,0,1,0|2,0,0]=4 193 B14R2.8824 c1c[nH]c2c1c(cc(c2)C(=O)O)O H63236 [0,1,0,0,1,0|2,0,0]=4 194 B14R2.450 Cc1c2ccccc2oc1C(=O)O B21044 [0,1,0,0,1,0|2,0,0]=4 195 B14R2.450 Cc1c2ccccc2sc1C(=O)C B20967 [0,1,0,0,1,0|1,0,0]=3 196 B14R2.450 Cc1c2ccccc2sc1C(=O)O B24624 [0,1,0,0,1,0|2,0,0]=4 197 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)Cl)Cl L11745 [0,1,0,0,1,0|2,0,0]=4 198 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)N)Cl L18898 [0,1,0,0,1,0|2,0,0]=4 199 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Cl L01257 [0,1,0,0,1,0|2,0,0]=4 200 B14R2.972 COC(=O)c1cc2c([nH]1)cccn2 H34321 [0,1,0,0,1,0|2,0,0]=4 201 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 H66609 [0,1,0,0,1,0|1,0,0]=3 202 B14R2.972 COC(=O)c1cc2ccccc2s1 A13769 [0,1,0,0,1,0|1,0,0]=3 203 B14R2.972 c1ccc2c(c1)cc(s2)C(=O)NN L11357 [0,1,0,0,1,0|2,0,0]=4 204 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)Br H50593 [0,1,0,0,1,0|1,0,0]=3 205 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O L17145 [0,1,0,0,1,0|2,0,0]=4 206 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br H63799 [0,1,0,0,1,0|2,0,0]=4 207 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl H66864 [0,1,0,0,1,0|2,0,0]=4 208 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O H66396 [0,1,0,0,1,0|2,0,0]=4 209 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O A18626 [0,1,0,0,1,0|2,0,0]=4 210 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O H50239 [0,1,0,0,1,0|2,0,0]=4 211 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A12794 [0,1,0,0,1,0|2,0,0]=4 212 B14R2.4529 c1cc2c(cc1F)cc(s2)C(=O)O H33239 [0,1,0,0,1,0|2,0,0]=4 213 B14R2.4529 c1cc2c(cc1O)cc([nH]2)C(=O)O L00786 [0,1,0,0,1,0|2,0,0]=4 214 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Cl H33015 [0,1,0,0,1,0|2,0,0]=4 215 B16R2.82802 c1ccc2cc(ccc2c1)OS(=O)(=O)[O-] 44061 [0,1,0,0,0,1|2,0,0]=4 216 B16R2.12044 c1cc2c(cc1Br)c(=O)c(co2)C(=O)O H31905 [0,2,0,0,0,0|2,0,0]=4 217 B16R2.12044 c1cc2c(cc1Br)c(c(cn2)C(=O)O)O H54441 [0,2,0,0,0,0|2,0,0]=4 218 B16R2.23331 c1ccc2c(c1)c(cc(c2O)C(=O)O)O H60210 [0,2,0,0,0,0|1,0,0]=3 219 B16R2.23521 c1cc2c(cc1Br)cc(c(=O)o2)C(=O)O A15354 [0,2,0,0,0,0|2,0,0]=4 220 B16R2.33941 COC(=O)c1cc2ccccc2cc1O L14533 [0,2,0,0,0,0|0,0,0]=2 221 B16R2.33941 c1ccc2cc(c(cc2c1)C(=O)NN)O A16192 [0,2,0,0,0,0|1,0,0]=3 222 B16R2.33799 COC(=O)c1ccc2cc(ccc2c1)Br B25106 [0,2,0,0,0,0|0,0,0]=2 223 B16R2.22857 c1cc2cc(ccc2c(c1)N)S(=O)(=O)O L03099 [0,2,0,0,0,0|2,0,0]=4 224 B16R2.7486 CC(=O)c1ccc2cc(ccc2c1)OC A18031 [0,2,0,0,0,0|0,0,0]=2 225 B16R2.7486 CC(c1ccc2cc(ccc2c1)OC)O B25628 [0,2,0,0,0,0|0,0,2]=4 226 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)O L14610 [0,2,0,0,0,0|1,0,0]=3 227 B16R2.23501 c1cc2c(cc1Br)c(=O)cc(o2)C(=O)O H32009 [0,2,0,0,0,0|2,0,0]=4 228 B16R2.23501 c1cc2c(cc1F)c(=O)cc(o2)C(=O)O H32714 [0,2,0,0,0,0|2,0,0]=4 229 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 L04932 [0,0,1,1,0,0|2,0,0]=4 230 B14R2.2 CC(=O)Oc1coc2c1cccc2 L13126 [0,0,1,1,0,0|2,0,0]=4 231 B14R2.31359 CC(=O)c1cccc2c1cccc2 A12918 [0,0,1,1,0,0|0,0,0]=2 232 B14R2.31359 CC(=O)c1cncc2c1cccc2 H34206 [0,0,1,1,0,0|1,0,0]=3 233 B14R2.31359 CC(c1cccc2c1cccc2)N L09342 [0,0,1,1,0,0|1,0,1]=4 234 B14R2.31359 CN(C)c1cccc2c1cccc2 36438 [0,0,1,1,0,0|2,0,0]=4 235 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N A17176 [0,0,1,1,0,0|1,0,1]=4 236 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N L19301 [0,0,1,1,0,0|1,0,1]=4 237 B14R2.31359 C[C@@H](c1cccc2c1cccc2)O H60100 [0,0,1,1,0,0|0,0,2]=4 238 B14R2.31359 C[C@H](c1cccc2c1cccc2)N A16918 [0,0,1,1,0,0|1,0,1]=4 239 B14R2.31359 C[C@H](c1cccc2c1cccc2)N H66696 [0,0,1,1,0,0|1,0,1]=4 240 B14R2.31359 C[C@H](c1cccc2c1cccc2)N L19300 [0,0,1,1,0,0|1,0,1]=4 241 B14R2.31359 c1cc(c2cccnc2c1)C(=O)O L19643 [0,0,1,1,0,0|2,0,0]=4 242 B14R2.31359 c1cc2cccnc2c(c1)C(=O)O L19644 [0,0,1,1,0,0|2,0,0]=4 243 B14R2.31359 c1cc2cnccc2c(c1)C(=O)O L19637 [0,0,1,1,0,0|2,0,0]=4 244 B14R2.31359 c1ccc2c(c1)c(ccn2)C(=O)O L14611 [0,0,1,1,0,0|2,0,0]=4 245 B14R2.31359 c1ccc2c(c1)cccc2C(=O)Cl A14460 [0,0,1,1,0,0|1,0,0]=3 246 B14R2.31359 c1ccc2c(c1)cccc2C(=O)N L08364 [0,0,1,1,0,0|1,0,0]=3 247 B14R2.31359 c1ccc2c(c1)cccc2C(=O)O A10273 [0,0,1,1,0,0|1,0,0]=3 248 B14R2.31359 c1ccc2c(c1)cccc2C(=S)N H52204 [0,0,1,1,0,0|1,1,0]=4 249 B14R2.31359 c1ccc2c(c1)ccnc2C(=O)O L05985 [0,0,1,1,0,0|2,0,0]=4 250 B16R3.335 Cc1nc2c3ccccc3ccc2s1 B22725 [0,0,0,1,0,1|1,0,0]=3 251 B16R3.2273 Cc1nc2cc3ccccc3cc2o1 B21806 [0,0,0,1,0,1|0,0,1]=3 252 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [1,0,0,0,1,0|1,0,0]=3 253 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [1,0,0,0,1,0|0,0,2]=4 254 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O H54638 [1,0,0,0,1,0|1,0,0]=3 255 B12R2.32 c1ccc2c(c1)cc(o2)C=O L02456 [1,0,0,0,1,0|1,0,0]=3 256 B12R2.32 c1ccc2c(c1)cc(s2)C=O L19345 [1,0,0,0,1,0|1,0,0]=3 257 B12R2.32 c1ccc2c(c1)nc(s2)C=O H26122 [1,0,0,0,1,0|2,0,0]=4 258 B12R2.44 COc1ccc2c(c1)cc[nH]2 B25290 [1,0,0,0,1,0|2,0,0]=4 259 B12R2.44 COc1ccc2cc[nH]c2c1 L19074 [1,0,0,0,1,0|2,0,0]=4 260 B12R2.44 c1cc(cc2c1cc[nH]2)C=O H55152 [1,0,0,0,1,0|1,0,0]=3 261 B12R2.44 c1cc2c(cc[nH]2)cc1C=O B25517 [1,0,0,0,1,0|1,0,0]=3 262 B16R2.477 c1ccc2cc(ccc2c1)OCC(=O)O A15412 [0,0,0,0,0,2|1,0,0]=3 263 B16R2.477 c1ccc2cc(ccc2c1)\C=C\C(=O)O A16715 [0,0,0,0,0,2|1,0,0]=3