0 B13R2.57 C=Cc1ccc2ccccc2c1 A12470 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.57 COc1ccc2c(c1)CCCN2 H63002 [0,0,0,0,0,0|1,0,3]=4 2 B13R2.57 COc1ccc2c(c1)CCNC2 H31910 [0,0,0,0,0,0|1,0,3]=4 3 B13R2.57 COc1ccc2c(c1)cccn2 A11736 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.57 COc1ccc2c(c1)nccn2 H63396 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.57 COc1ccc2ccccc2c1 A17650 [0,0,0,0,0,0|0,0,0]=0 6 B13R2.57 CSc1ccc2ccccc2c1 B22368 [0,0,0,0,0,0|0,1,0]=1 7 B13R2.57 c1cc2cc(ccc2nc1)CN H66548 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.57 c1ccc2c(c1)cc(cn2)C=O L13815 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.57 c1ccc2c(c1)ccc(n2)C#N L19427 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.57 c1ccc2c(c1)ccc(n2)CCl A14102 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.57 c1ccc2c(c1)ccc(n2)NN H50700 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.57 c1ccc2cc(ccc2c1)C#N L03704 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.57 c1ccc2cc(ccc2c1)CBr B24568 [0,0,0,0,0,0|2,0,0]=2 16 B13R2.57 c1ccc2cc(ccc2c1)CCl H50242 [0,0,0,0,0,0|2,0,0]=2 17 B13R2.57 c1ccc2cnc(cc2c1)C#N L19426 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.24 Cc1cc2ccccc2nc1 A13109 [1,0,0,0,0,0|1,0,0]=2 19 B12R2.24 Cc1ccc2c(c1)cccn2 B21892 [1,0,0,0,0,0|1,0,0]=2 20 B12R2.24 Cc1ccc2c(c1)nccn2 L11090 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.24 Cc1ccc2ccccc2c1 L02459 [1,0,0,0,0,0|0,0,0]=1 22 B12R2.24 Cc1ccc2ccccc2n1 A13412 [1,0,0,0,0,0|1,0,0]=2 23 B12R2.24 Cc1ccc2cccnc2c1 42475 [1,0,0,0,0,0|1,0,0]=2 24 B12R2.24 Cc1ccc2cccnc2n1 H34032 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.24 Cc1cnc2ccccc2n1 A15895 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [1,0,0,0,0,0|1,0,0]=2 28 B12R2.24 c1cc2cc(ccc2nc1)Br H55111 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 c1cc2cc(ccc2nc1)Cl L20164 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 c1cc2cc(ccc2nc1)F H35900 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.24 c1cc2cc(ccc2nc1)N L13819 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.24 c1cc2ccc(cc2nc1)Br H63987 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [1,0,0,0,0,0|1,0,1]=3 37 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [1,0,0,0,0,0|2,0,0]=3 38 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [1,0,0,0,0,0|1,0,0]=2 40 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [1,0,0,0,0,0|1,1,0]=3 41 B12R2.24 c1ccc2c(c1)ncc(n2)Br H61967 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] A19738 [1,0,0,0,0,0|1,0,1]=3 43 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] L14794 [1,0,0,0,0,0|1,0,1]=3 44 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [1,0,0,0,0,0|1,0,0]=2 45 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [1,0,0,0,0,0|0,0,0]=1 46 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [1,0,0,0,0,0|1,0,0]=2 47 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [1,0,0,0,0,0|1,0,0]=2 48 B14R2.92 COc1ccc2ccccc2c1Br A18926 [0,1,0,0,0,0|0,0,0]=1 49 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C#N A15687 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C=O A15438 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.92 c1ccc2c(c1)ccc(c2Br)CBr H50240 [0,1,0,0,0,0|2,0,0]=3 52 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O A11980 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.112 CCOc1ccc2ccccc2c1 B23327 [0,1,0,0,0,0|0,0,0]=1 54 B14R2.112 c1ccc2cc(ccc2c1)CC#N L09384 [0,1,0,0,0,0|1,0,1]=3 55 B14R2.112 c1ccc2cc(ccc2c1)N=C=O H51076 [0,1,0,0,0,0|1,0,1]=3 56 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 B22432 [0,1,0,0,0,0|0,0,3]=4 57 B14R2.134 COc1ccc2ccc(=O)oc2c1 A15441 [0,1,0,0,0,0|1,0,0]=2 58 B14R2.142 COc1cc2c(cccc2Br)nc1 H54919 [0,1,0,0,0,0|1,0,0]=2 59 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 L15130 [0,1,0,0,0,0|0,0,3]=4 60 B14R2.142 c1cc2ccc(nc2c(c1)O)C#N H50433 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.781 B(c1cc2ccccc2nc1)(O)O H53021 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.781 B(c1cc2ccccc2nc1)(O)O L20088 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O H30380 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O H52867 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.781 B(c1ccc2ccccc2c1)(O)O B24157 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.781 CC(=O)c1cc2ccccc2nc1 H33206 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.781 CC(=O)c1ccc2ccccc2c1 A14793 [0,1,0,0,0,0|1,0,0]=2 68 B14R2.781 CC(=O)c1cnc2ccccc2n1 H26680 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.781 CC(C)c1ccc2ccccc2c1 A15153 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.781 CC(c1ccc2ccccc2c1)O L05108 [0,1,0,0,0,0|1,0,0]=2 71 B14R2.781 C[C@@H](c1ccc2ccccc2c1)N L17024 [0,1,0,0,0,0|1,0,0]=2 72 B14R2.781 C[C@H](c1ccc2ccccc2c1)N L17023 [0,1,0,0,0,0|1,0,0]=2 73 B14R2.781 c1cc2cc(ccc2nc1)C(=O)O A18223 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.781 c1cc2cc(ccc2nc1)[N+](=O)[O-] A17212 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O L15133 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O A10192 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.781 c1ccc2cc(ccc2c1)C(=O)Cl A14046 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.781 c1ccc2cc(ccc2c1)C(=O)N L08391 [0,1,0,0,0,0|2,0,0]=3 79 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O L05102 [0,1,0,0,0,0|2,0,0]=3 80 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38590 [0,1,0,0,0,0|2,0,0]=3 81 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38593 [0,1,0,0,0,0|2,0,0]=3 82 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38609 [0,1,0,0,0,0|2,0,0]=3 83 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39455 [0,1,0,0,0,0|2,0,0]=3 84 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39554 [0,1,0,0,0,0|2,0,0]=3 85 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39568 [0,1,0,0,0,0|2,0,0]=3 86 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39585 [0,1,0,0,0,0|2,0,0]=3 87 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 40387 [0,1,0,0,0,0|2,0,0]=3 88 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 43752 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.781 c1ccc2cc(ccc2c1)C(=S)N H26324 [0,1,0,0,0,0|2,0,0]=3 90 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O A19880 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.1019 Cc1cc(nc2c1cccc2)NN H34273 [0,1,0,0,0,0|3,0,0]=4 92 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C=O H27133 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.1801 COc1ccc2c(c1)CCCC2=O A15967 [0,1,0,0,0,0|0,0,3]=4 96 B14R2.1801 Cc1ccnc2c1ccc(c2)OC H32486 [0,1,0,0,0,0|1,0,0]=2 97 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 L11007 [0,1,0,0,0,0|0,0,3]=4 98 B14R2.2332 COc1ccc2c(c1)SCC(=O)N2 H27837 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.2332 COc1ccc2cc(ccc2c1)Br A19450 [0,1,0,0,0,0|0,0,0]=1 100 B14R2.2332 COc1ccc2cc(ccc2c1)[Mg+] H54076 [0,1,0,0,0,0|0,0,0]=1 101 B14R2.2332 COc1ccc2cc(ccc2n1)Br H54226 [0,1,0,0,0,0|1,0,0]=2 102 B14R2.2332 Cc1ccc2cc(ccc2n1)C=O H63651 [0,1,0,0,0,0|3,0,0]=4 103 B14R2.2332 Cc1ccc2cc(ccc2n1)CO H63846 [0,1,0,0,0,0|3,0,0]=4 104 B14R2.2332 Cc1ccc2cc(ccc2n1)OC B22199 [0,1,0,0,0,0|1,0,0]=2 105 B14R2.2332 c1cc(nc2c1cc(cc2)F)C=O H66052 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.27 COC(=O)C#Cc1ccccc1 B24587 [0,0,1,0,0,0|1,0,2]=4 107 B12R1.27 COC(=O)CCc1ccccc1 L05310 [0,0,1,0,0,0|1,0,2]=4 108 B12R1.27 COC(=O)CSc1ccccc1 L12649 [0,0,1,0,0,0|2,0,1]=4 109 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [0,0,1,0,0,0|1,0,0]=2 110 B12R1.71 COc1ccc(cc1)\C=C\C#N L00776 [0,0,1,0,0,0|1,0,1]=3 111 B12R1.71 COc1ccc(cc1)\C=C\C=O A12839 [0,0,1,0,0,0|1,0,0]=2 112 B12R1.78 COc1ccc(c(c1)C=O)OC A19928 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.78 COc1ccc(c(c1)OC)C=O A12549 [0,0,1,0,0,0|2,0,1]=4 114 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [0,0,1,0,0,0|1,0,2]=4 115 B12R2.1 CC[n+]1csc2c1cccc2 L08903 [0,0,0,0,1,0|3,0,0]=4 116 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N A16041 [0,0,0,0,1,0|3,0,0]=4 117 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [0,0,0,0,1,0|3,0,0]=4 118 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO L15762 [0,0,0,0,1,0|3,0,0]=4 119 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,0,0,0,1,0|1,0,1]=3 120 B12R2.32 CC[n+]1cc2ccccc2o1 B23794 [0,0,0,0,1,0|3,0,0]=4 121 B12R2.32 CSc1[nH]c2ccccc2n1 A10686 [0,0,0,0,1,0|2,1,0]=4 122 B12R2.32 c1ccc2c(c1)cc([nH]2)C#N H66451 [0,0,0,0,1,0|3,0,0]=4 123 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O H54638 [0,0,0,0,1,0|3,0,0]=4 124 B12R2.32 c1ccc2c(c1)cc([nH]2)CN H54281 [0,0,0,0,1,0|3,0,0]=4 125 B12R2.32 c1ccc2c(c1)cc(o2)C=O L02456 [0,0,0,0,1,0|3,0,0]=4 126 B12R2.32 c1ccc2c(c1)cc(s2)C=O L19345 [0,0,0,0,1,0|3,0,0]=4 127 B12R2.32 c1ccc2c(c1)cc(s2)CO H27512 [0,0,0,0,1,0|3,0,0]=4 128 B12R2.44 COc1ccc2c(c1)cc[nH]2 B25290 [0,0,0,0,1,0|1,0,0]=2 129 B12R2.44 COc1ccc2c(c1)nc[nH]2 B24313 [0,0,0,0,1,0|2,0,0]=3 130 B12R2.44 COc1ccc2cc[nH]c2c1 L19074 [0,0,0,0,1,0|1,0,0]=2 131 B12R2.44 c1cc(cc2c1cc[nH]2)C#N L20099 [0,0,0,0,1,0|3,0,0]=4 132 B12R2.44 c1cc(cc2c1cc[nH]2)C=O H55152 [0,0,0,0,1,0|3,0,0]=4 133 B12R2.44 c1cc(cc2c1cc[nH]2)CN H54640 [0,0,0,0,1,0|3,0,0]=4 134 B12R2.44 c1cc2c(cc[nH]2)cc1C#N B21810 [0,0,0,0,1,0|3,0,0]=4 135 B12R2.44 c1cc2c(cc[nH]2)cc1C=O B25517 [0,0,0,0,1,0|3,0,0]=4 136 B11R1.28 c1ccc(cc1)\C=C\C=N\O L05026 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.91 B(\C=C\c1ccccc1)(O)O H53227 [1,0,1,0,0,0|2,0,0]=4 138 B11R1.91 CC(=C)COc1ccccc1 B22369 [1,0,1,0,0,0|1,0,1]=4 139 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [1,0,1,0,0,0|1,0,0]=3 140 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [1,0,1,0,0,0|2,0,0]=4 141 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [1,0,1,0,0,0|1,0,1]=4 142 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [1,0,1,0,0,0|1,0,1]=4 143 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [1,0,1,0,0,0|1,0,0]=3 144 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [1,0,1,0,0,0|2,0,0]=4 145 B11R1.83 COc1ccc(cc1)CC=C B23311 [1,0,1,0,0,0|0,0,1]=3 146 B11R1.83 C\C=C\c1ccc(cc1)OC A13482 [1,0,1,0,0,0|0,0,1]=3 147 B11R1.279 COc1ccc(c(c1)Br)C=O H61379 [1,0,1,0,0,0|2,0,0]=4 148 B11R1.279 COc1ccc(c(c1)F)C=O A19726 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.279 COc1ccc(c(c1)O)C=O A12971 [1,0,1,0,0,0|2,0,0]=4 150 B11R1.279 Cc1cc(ccc1C=O)OC H64295 [1,0,1,0,0,0|1,0,1]=4 151 B11R1.280 COc1ccc(c(c1)C=O)F A18904 [1,0,1,0,0,0|2,0,0]=4 152 B11R1.280 COc1ccc(c(c1)C=O)I H66163 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.280 COc1ccc(c(c1)C=O)O A15753 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [1,0,1,0,0,0|1,0,1]=4 155 B11R1.40 COC(=O)Cc1ccccc1 A15537 [1,0,1,0,0,0|1,0,1]=4 156 B11R1.40 COC(=O)Oc1ccccc1 B25232 [1,0,1,0,0,0|2,0,0]=4 157 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [1,0,1,0,0,0|1,0,0]=3 158 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [1,0,1,0,0,0|2,0,0]=4 159 B11R2.20 c1cc2c(cccn2)nc1 H64484 [2,0,0,0,0,0|2,0,0]=4 160 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [2,0,0,0,0,0|0,0,2]=4 161 B11R2.20 c1ccc2c(c1)ccc[nH+]2 H55300 [2,0,0,0,0,0|1,0,0]=3 162 B11R2.20 c1ccc2c(c1)cccn2 43225 [2,0,0,0,0,0|1,0,0]=3 163 B11R2.20 c1ccc2c(c1)cccn2 A11545 [2,0,0,0,0,0|1,0,0]=3 164 B11R2.20 c1ccc2c(c1)cncn2 B24094 [2,0,0,0,0,0|2,0,0]=4 165 B11R2.20 c1ccc2c(c1)nccn2 A14055 [2,0,0,0,0,0|2,0,0]=4 166 B11R2.20 c1ccc2ccccc2c1 33347 [2,0,0,0,0,0|0,0,0]=2 167 B11R2.20 c1ccc2ccccc2c1 A13188 [2,0,0,0,0,0|0,0,0]=2 168 B11R2.20 c1ccc2cnccc2c1 B21279 [2,0,0,0,0,0|1,0,0]=3 169 B11R2.20 c1ccc2cnncc2c1 A12270 [2,0,0,0,0,0|2,0,0]=4 170 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl A17071 [0,1,1,0,0,0|1,0,0]=3 171 B13R1.42 CCOC(=O)\C=C\c1ccccc1 A12906 [0,1,1,0,0,0|1,0,0]=3 172 B13R1.42 CCOC(=O)\C=C\c1cccnc1 H33964 [0,1,1,0,0,0|2,0,0]=4 173 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O A13870 [0,1,1,0,0,0|1,0,0]=3 174 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O H60144 [0,1,1,0,0,0|1,0,0]=3 175 B13R1.3 COc1ccc(cc1)\C=C\[N+](=O)[O-] A12745 [0,1,1,0,0,0|2,0,0]=4 176 B13R1.74 CN(C)c1ccc(cc1)\C=C\C=O B24741 [0,1,1,0,0,0|2,0,0]=4 177 B13R1.575 COc1cc(ccc1O)\C=C\CO B24949 [0,1,1,0,0,0|1,0,1]=4 178 B13R1.643 COc1cccc(c1)\C=C\C(=O)O A10723 [0,1,1,0,0,0|1,0,0]=3 179 B13R2.32 Cc1ccc2ccccc2c1Br L05093 [1,1,0,0,0,0|0,0,0]=2 180 B13R2.32 Cc1ccc2ccccc2c1C L09774 [1,1,0,0,0,0|0,0,0]=2 181 B13R2.32 Cc1ccc2ccccc2c1[Mg+] H54388 [1,1,0,0,0,0|0,0,0]=2 182 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [1,1,0,0,0,0|1,0,1]=4 183 B13R2.32 c1cc2c(ccc(c2Br)N)nc1 H63150 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.32 c1ccc2c(c1)C=CC(=S)C2O A12125 [1,1,0,0,0,0|0,1,1]=4 185 B13R2.32 c1ccc2c(c1)c(=O)c(co2)Br A14591 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.32 c1ccc2c(c1)c(=O)c(co2)I H34295 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.32 c1ccc2c(c1)ccc(c2Br)O A18692 [1,1,0,0,0,0|0,0,0]=2 188 B13R2.32 c1ccc2c(c1)ccc(c2N)O B24492 [1,1,0,0,0,0|0,0,0]=2 189 B13R2.32 c1ccc2c(c1)ccc(c2O)Br H66429 [1,1,0,0,0,0|1,0,0]=3 190 B13R2.155 Cc1ccc2ccc(cc2c1)C B21704 [1,1,0,0,0,0|0,0,0]=2 191 B13R2.155 c1cc(cc2c1cc[n+](c2)[O-])Br H25899 [1,1,0,0,0,0|1,0,1]=4 192 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [1,1,0,0,0,0|1,0,0]=3 193 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br H56097 [1,1,0,0,0,0|1,0,0]=3 194 B13R2.155 c1cc(cc2c1ccc(c2)O)O A10229 [1,1,0,0,0,0|0,0,0]=2 195 B13R2.162 Cc1ccc2c(c1)c(=O)cco2 H27002 [1,1,0,0,0,0|1,0,0]=3 196 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl H59890 [1,1,0,0,0,0|1,0,0]=3 197 B13R2.162 Cc1ccc2cccc(c2c1)C A18030 [1,1,0,0,0,0|0,0,0]=2 198 B13R2.162 Cc1ccc2cccc(c2n1)Cl B20504 [1,1,0,0,0,0|1,0,0]=3 199 B13R2.162 Cc1ccc2cccc(c2n1)O L06989 [1,1,0,0,0,0|1,0,0]=3 200 B13R2.162 Cc1ccnc2c1cc(cc2)Br H33298 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.162 c1cc(cc2c1ccnc2Cl)Br L19946 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.162 c1cc(cc2c1ccnc2O)Br L17800 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.162 c1cc2c(cc(cn2)Br)c(c1)Br H54859 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl H54902 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.162 c1cc2c(cc1Br)c(ccn2)O H54974 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl H59307 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.162 c1cc2c(cc1F)c(=O)cco2 H31907 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl H50540 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.162 c1cc2ccc(cc2c(c1)N)O A19404 [1,1,0,0,0,0|0,0,0]=2 210 B13R2.162 c1cc2ccc(cc2c(c1)O)O H28261 [1,1,0,0,0,0|0,0,0]=2 211 B13R2.162 c1cc2ccc(nc2c(c1)F)Cl H33446 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.328 Cc1cc(c2ccccc2n1)Cl A15002 [1,1,0,0,0,0|1,0,0]=3 213 B13R2.328 Cc1cc(c2ccccc2n1)N L14295 [1,1,0,0,0,0|1,0,0]=3 214 B13R2.328 Cc1cc(c2ccccc2n1)O A14587 [1,1,0,0,0,0|1,0,0]=3 215 B13R2.328 Cc1cc(nc2c1cccc2)C L08348 [1,1,0,0,0,0|1,0,0]=3 216 B13R2.328 Cc1cc(nc2c1cccc2)Cl H26504 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.328 Cc1cc(nc2c1cccc2)O L07417 [1,1,0,0,0,0|1,0,0]=3 218 B13R2.328 Cc1cc(nc2c1cccc2)S H34098 [1,1,0,0,0,0|1,1,0]=4 219 B13R2.328 Cc1cc2ccccc2[n+](c1)[O-] L10635 [1,1,0,0,0,0|1,0,0]=3 220 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [1,1,0,0,0,0|1,0,1]=4 221 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O L12760 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O B20747 [1,1,0,0,0,0|1,0,0]=3 223 B13R2.328 c1ccc2c(c1)c(cc(n2)O)[O-] L12348 [1,1,0,0,0,0|1,0,0]=3 224 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [1,1,0,0,0,0|0,0,0]=2 225 B13R2.328 c1ccc2c(c1)cc(nc2Br)N H50368 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl H59873 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.369 Cc1c(nc2ccccc2n1)C B23313 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.369 Cc1c(nc2ccccc2n1)Cl H51734 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.369 Cc1cc2ccccc2cc1C L08386 [1,1,0,0,0,0|0,0,0]=2 231 B13R2.369 Cc1cc2ccccc2nc1Cl H50492 [1,1,0,0,0,0|1,0,0]=3 232 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [1,1,0,0,0,0|1,0,1]=4 233 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [1,1,0,0,0,0|1,0,1]=4 234 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [1,1,0,0,0,0|1,0,0]=3 236 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [1,1,0,0,0,0|0,0,0]=2 237 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [1,1,0,0,0,0|0,0,0]=2 238 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 A19382 [1,1,0,0,0,0|1,0,0]=3 239 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C B23934 [1,1,0,0,0,0|1,0,0]=3 240 B13R2.3683 Cc1ccc2cc(ccc2n1)Br H27447 [1,1,0,0,0,0|1,0,0]=3 241 B13R2.3683 Cc1ccc2cc(ccc2n1)F A11469 [1,1,0,0,0,0|1,0,0]=3 242 B13R2.3683 Cc1ccc2cc(ccc2n1)N A13967 [1,1,0,0,0,0|1,0,0]=3 243 B13R2.3683 Cc1ccc2cc(ccc2n1)O A18846 [1,1,0,0,0,0|1,0,0]=3 244 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)Br H54095 [1,1,0,0,0,0|1,0,1]=4 245 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N L11168 [1,1,0,0,0,0|1,0,1]=4 246 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br L16134 [1,1,0,0,0,0|1,0,0]=3 247 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O A18535 [1,1,0,0,0,0|0,0,0]=2 248 B13R2.3683 c1cc(cc2c1cc(cc2)O)O B21465 [1,1,0,0,0,0|0,0,0]=2 249 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl H54895 [1,1,0,0,0,0|2,0,0]=4 250 B13R2.5179 c1cc2c(ccnc2cc1Cl)Cl A15985 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.5179 c1cc2c(ccnc2cc1Cl)O L07119 [1,1,0,0,0,0|2,0,0]=4 252 B13R2.5179 c1cc2cc(ccc2c(c1)O)O L15801 [1,1,0,0,0,0|0,0,0]=2 253 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCN A11030 [0,1,0,0,1,0|2,0,0]=4 254 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCN A11116 [0,1,0,0,1,0|2,0,0]=4 255 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCO L02555 [0,1,0,0,1,0|2,0,0]=4 256 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 A16221 [0,1,0,0,1,0|2,0,0]=4 257 B13R2.72 CC(=O)c1csc2c1cccc2 A10330 [0,1,0,0,1,0|2,0,0]=4 258 B13R2.435 CC(=O)c1cc2ccccc2o1 L13771 [0,1,0,0,1,0|2,0,0]=4 259 B13R2.435 CC(=O)c1cc2ccccc2s1 B21173 [0,1,0,0,1,0|2,0,0]=4 260 B13R2.654 Cc1cc(cc2c1[nH]cc2)OC H63123 [0,1,0,0,1,0|1,0,0]=3 261 B13R2.669 COc1ccc2c(c1)C(=O)CC2 L15819 [0,1,0,0,1,0|0,0,2]=4 262 B13R2.2121 COc1ccc2c(c1)[nH]c(=O)[nH]2 B22580 [0,1,0,0,1,0|2,0,0]=4 263 B13R2.2121 COc1ccc2c(c1)nc([nH]2)Cl L08440 [0,1,0,0,1,0|2,0,0]=4 264 B13R2.2121 COc1ccc2c(c1)nc([nH]2)S B20570 [0,1,0,0,1,0|2,0,0]=4 265 B13R2.2121 COc1ccc2c(c1)nc(s2)S L14228 [0,1,0,0,1,0|2,0,0]=4 266 B13R2.2121 COc1ccc2c(c1)oc(=O)[nH]2 L05349 [0,1,0,0,1,0|2,0,0]=4 267 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl H32770 [0,1,0,0,1,0|2,0,0]=4 268 B13R2.2121 COc1ccc2c(c1)sc(n2)N B23380 [0,1,0,0,1,0|2,0,0]=4 269 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC B21348 [0,1,0,0,1,0|1,0,0]=3 270 B13R2.2121 Cc1nc2cc(ccc2[se]1)OC B22411 [0,1,0,0,1,0|2,0,0]=4 271 B13R2.2121 Cc1nc2cc(ccc2s1)OC B22584 [0,1,0,0,1,0|2,0,0]=4 272 B13R2.2121 Cc1nc2ccc(cc2s1)OC H32425 [0,1,0,0,1,0|2,0,0]=4 273 B13R2.2130 COc1ccc2c(c1)CCC2=O L11165 [0,1,0,0,1,0|0,0,2]=4 274 B15R2.627 CC(=O)c1ccc2ccccc2c1O A19532 [0,2,0,0,0,0|1,0,0]=3 275 B15R2.627 c1ccc2c(c1)ccc(c2O)C(=O)O A12785 [0,2,0,0,0,0|2,0,0]=4 276 B15R2.2115 COc1ccc2ccccc2c1C=O B20483 [0,2,0,0,0,0|0,0,0]=2 277 B15R2.4774 COc1ccc2ccc(=O)oc2c1O L13841 [0,2,0,0,0,0|1,0,0]=3 278 B15R2.352 c1ccc2cc(ccc2c1)OCCO A11636 [0,2,0,0,0,0|0,0,0]=2 279 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 L14116 [0,2,0,0,0,0|1,0,0]=3 280 B15R2.1601 COC(=O)c1cc2ccccc2cn1 B20181 [0,2,0,0,0,0|1,0,0]=3 281 B15R2.1601 COC(=O)c1ccc2c(c1)nccn2 A16689 [0,2,0,0,0,0|2,0,0]=4 282 B15R2.1601 COC(=O)c1ccc2ccccc2c1 L09973 [0,2,0,0,0,0|0,0,0]=2 283 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)CBr B23960 [0,2,0,0,0,0|1,0,0]=3 284 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)NN L08038 [0,2,0,0,0,0|2,0,0]=4 285 B15R2.1668 CC(=O)Oc1ccc2ccccc2c1 A18487 [0,2,0,0,0,0|0,0,0]=2 286 B15R2.1668 c1ccc2cc(ccc2c1)CC(=O)O A13528 [0,2,0,0,0,0|1,0,1]=4 287 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br H50568 [0,2,0,0,0,0|0,0,0]=2 288 B15R2.4776 COc1ccc2ccc(cc2c1)OC H27971 [0,2,0,0,0,0|0,0,0]=2 289 B15R2.89396 Cc1cc(=O)[nH]c2c1ccc(c2)OC H31676 [0,2,0,0,0,0|1,0,0]=3 290 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)OC A11785 [0,2,0,0,0,0|1,0,0]=3 291 B15R2.89396 Cc1cc(nc2c1ccc(c2)OC)Cl H32685 [0,2,0,0,0,0|1,0,0]=3 292 B15R2.89396 Cc1cc(nc2c1ccc(c2)OC)S H32733 [0,2,0,0,0,0|1,0,0]=3 293 B15R2.984 CC(=O)c1cc2ccccc2oc1=O A12532 [0,2,0,0,0,0|2,0,0]=4 294 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)N L19312 [0,2,0,0,0,0|2,0,0]=4 295 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O A19214 [0,2,0,0,0,0|2,0,0]=4 296 B15R2.4441 [B-](c1ccc2ccccc2c1)(F)(F)F H52901 [0,2,0,0,0,0|2,0,0]=4 297 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)Cl A16872 [0,2,0,0,0,0|1,1,0]=4 298 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)N L09164 [0,2,0,0,0,0|1,1,0]=4 299 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O A13445 [0,2,0,0,0,0|1,1,0]=4 300 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O H56685 [0,2,0,0,0,0|1,1,0]=4 301 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)[O-] A13066 [0,2,0,0,0,0|1,1,0]=4 302 B15R2.7180 B(c1ccc2cc(ccc2c1)O)(O)O H53074 [0,2,0,0,0,0|2,0,0]=4 303 B15R2.7180 c1cc(cc2c1cc(cc2)Br)C(=O)O L16093 [0,2,0,0,0,0|2,0,0]=4 304 B15R2.7180 c1cc(cc2c1cc(cc2)O)C(=O)O B21791 [0,2,0,0,0,0|2,0,0]=4 305 B15R2.117 COc1cc2ccccc2cc1OC H55523 [0,2,0,0,0,0|0,0,0]=2 306 B15R2.2310 COc1ccc2c(c1)cccc2OC L18129 [0,2,0,0,0,0|0,0,0]=2 307 B15R2.4780 COc1ccc2cc(ccc2c1)C=O B23943 [0,2,0,0,0,0|0,0,0]=2 308 B15R2.4780 COc1ccc2cc(ccc2c1)OC H28366 [0,2,0,0,0,0|0,0,0]=2 309 B13R2.10 c1ccc(cc1)c2cc(=O)o[nH]2 A15837 [0,0,1,1,0,0|2,0,0]=4 310 B13R2.10 c1ccc(cc1)c2cc(on2)N H27801 [0,0,1,1,0,0|2,0,0]=4 311 B13R2.1613 C=Cc1cccc2c1cccc2 H51043 [0,0,1,1,0,0|1,0,1]=4 312 B13R2.342 Cc1cccc2c1cccc2C A16819 [0,0,1,1,0,0|1,0,1]=4 313 B11R1.25 COC(=O)\C=C\c1cccs1 B20177 [0,0,1,0,1,0|2,0,0]=4 314 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [0,0,1,0,1,0|2,0,0]=4 315 B11R1.222 COC(=O)c1ccccc1Br A12435 [0,0,1,0,1,0|2,0,0]=4 316 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,0,1,0,1,0|2,0,0]=4 317 B11R1.222 COC(=O)c1ccccc1F A16133 [0,0,1,0,1,0|2,0,0]=4 318 B11R1.222 COC(=O)c1ccccc1I A13204 [0,0,1,0,1,0|2,0,0]=4 319 B11R1.222 COC(=O)c1ccccc1N A15681 [0,0,1,0,1,0|2,0,0]=4 320 B11R1.222 COC(=O)c1ccccc1O A10578 [0,0,1,0,1,0|2,0,0]=4 321 B11R1.222 COC(=O)c1ccccc1S H28400 [0,0,1,0,1,0|2,0,0]=4 322 B11R1.222 Cc1ccccc1C(=O)OC A15695 [0,0,1,0,1,0|1,0,1]=4 323 B11R2.1 C[n+]1csc2c1cccc2 L04837 [1,0,0,0,1,0|2,0,0]=4 324 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [1,0,0,0,1,0|1,0,0]=3 325 B11R2.1 Cc1csc2c1cccc2 A15772 [1,0,0,0,1,0|1,0,0]=3 326 B11R2.1 Cn1ccc2c1cccc2 A12605 [1,0,0,0,1,0|1,0,0]=3 327 B11R2.1 Cn1cnc2c1cccc2 B25472 [1,0,0,0,1,0|2,0,0]=4 328 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [1,0,0,0,1,0|2,0,0]=4 329 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [1,0,0,0,1,0|2,0,0]=4 330 B11R2.10 CC1=Cc2ccccc2C1 H26875 [1,0,0,0,1,0|0,0,1]=3 331 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [1,0,0,0,1,0|2,0,0]=4 332 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [1,0,0,0,1,0|1,0,0]=3 333 B11R2.10 Cc1cc2ccccc2s1 H32224 [1,0,0,0,1,0|1,0,0]=3 334 B11R2.10 Cc1cn2ccccc2n1 H35114 [1,0,0,0,1,0|2,0,0]=4 335 B11R2.10 Cc1nc2ccccc2o1 A13198 [1,0,0,0,1,0|2,0,0]=4 336 B11R2.10 Cc1nc2ccccc2s1 A13427 [1,0,0,0,1,0|2,0,0]=4 337 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [1,0,0,0,1,0|1,0,1]=4 338 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [1,0,0,0,1,0|2,0,0]=4 339 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [1,0,0,0,1,0|2,0,0]=4 340 B11R2.36 Cc1ccc2c(c1)cc[nH]2 L06893 [1,0,0,0,1,0|1,0,0]=3 341 B11R2.36 Cc1ccc2c(c1)ccs2 A12666 [1,0,0,0,1,0|1,0,0]=3 342 B11R2.36 Cc1ccc2c(c1)cn[nH]2 H31828 [1,0,0,0,1,0|2,0,0]=4 343 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A15957 [1,0,0,0,1,0|2,0,0]=4 344 B11R2.36 Cc1ccc2c(c1)nco2 B22596 [1,0,0,0,1,0|2,0,0]=4 345 B11R2.36 Cc1ccc2cc[nH]c2c1 L17509 [1,0,0,0,1,0|1,0,0]=3 346 B11R2.36 c1cc(cc2c1cc[nH]2)Br L17703 [1,0,0,0,1,0|2,0,0]=4 347 B11R2.36 c1cc(cc2c1cc[nH]2)Cl B23650 [1,0,0,0,1,0|2,0,0]=4 348 B11R2.36 c1cc(cc2c1cc[nH]2)F B24633 [1,0,0,0,1,0|2,0,0]=4 349 B11R2.36 c1cc(cc2c1cc[nH]2)N L17793 [1,0,0,0,1,0|2,0,0]=4 350 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [1,0,0,0,1,0|1,0,0]=3 351 B11R2.36 c1cc2c(cc[nH]2)cc1Br B20307 [1,0,0,0,1,0|2,0,0]=4 352 B11R2.36 c1cc2c(cc[nH]2)cc1Cl A13592 [1,0,0,0,1,0|2,0,0]=4 353 B11R2.36 c1cc2c(cc[nH]2)cc1F A15346 [1,0,0,0,1,0|2,0,0]=4 354 B11R2.36 c1cc2c(cc[nH]2)cc1I B20638 [1,0,0,0,1,0|2,0,0]=4 355 B11R2.36 c1cc2c(cc[nH]2)cc1N B24391 [1,0,0,0,1,0|2,0,0]=4 356 B11R2.36 c1cc2c(cc[nH]2)cc1O L00858 [1,0,0,0,1,0|1,0,0]=3 357 B11R2.36 c1cc2c(ccs2)cc1Br L20133 [1,0,0,0,1,0|2,0,0]=4 358 B11R2.36 c1cc2c(ccs2)cc1Cl H61748 [1,0,0,0,1,0|2,0,0]=4