0 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.16 CCNC(=O)c1ccc(cc1)Br H58111 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.16 CCNC(=O)c1ccc(cc1)C H57901 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.16 CCNC(=O)c1ccc(cc1)Cl H59072 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.16 CCNC(=O)c1ccc(cc1)F H58065 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.16 CCNC(=O)c1ccc(cn1)Br H54309 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.16 CCOC(=O)c1ccc(cc1)Br A11365 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.16 CCOC(=O)c1ccc(cc1)C A10568 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.16 CCOC(=O)c1ccc(cc1)Cl A12540 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.16 CCOC(=O)c1ccc(cc1)F B21484 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.16 CCOC(=O)c1ccc(cc1)I A14570 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.16 CCOC(=O)c1ccc(cc1)N A12754 [0,0,0,0,0,0|0,0,0]=0 13 B12R1.16 CCOC(=O)c1ccc(cc1)O A13172 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58477 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58484 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.16 CCOC(=O)c1ccc(nc1)Cl A14723 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.16 CCOC(=O)c1cnc(cn1)Cl H66630 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.16 CCOC(=O)c1cnc(cn1)N H66918 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.16 CCOC(=O)c1cnc(nc1)Cl H64914 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.16 CCOC(=O)c1ncc(cn1)Br H61304 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.16 Cc1ccc(cc1)C(=O)CC#N A10950 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.16 c1cc(ccc1C(=O)CC#N)Cl A12364 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.16 c1cc(ccc1C(=O)CC#N)F H61988 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.16 c1cc(ccc1C(=O)CCCl)Br A13988 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl A13311 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.16 c1cc(ccc1C(=O)CCCl)F B21891 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.1 CCCCc1ccc(cc1)Br B23979 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.1 CCCCc1ccc(cc1)Cl B24138 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.1 CCCCc1ccc(cc1)I A14421 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.1 CCCCc1ccc(cc1)N B25234 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.1 CCCCc1ccc(cc1)O A12812 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.1 CCCOc1ccc(cc1)Br A11462 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.1 CCCOc1ccc(cc1)N H55096 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.1 CCCOc1ccc(cc1)O B22266 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.1 CCNCc1ccc(cc1)F H56689 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.16 C=COC(=O)c1ccccc1 B21805 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.16 CCCC(=O)c1ccccc1 A11345 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.16 CCCC(C)c1ccccc1 B20114 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.16 CCOC(=N)c1ccccc1 L17684 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.16 CCOC(=O)c1ccccc1 44283 [1,0,0,0,0,0|0,0,0]=1 43 B11R1.16 CCOC(=O)c1ccccc1 A13057 [1,0,0,0,0,0|0,0,0]=1 44 B11R1.16 CCOC(=O)c1ccccn1 A13973 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.16 CCOC(=O)c1cccnc1 L03215 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.16 CCOC(=O)c1ccncc1 L03010 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.16 CCOC(=O)c1ccncn1 H64662 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.16 c1ccc(cc1)C(=O)N=C=O A11583 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.16 c1ccc(cc1)C(=O)N=C=S L06964 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [1,0,0,0,0,0|1,1,0]=3 54 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.22 CNC(=O)c1ccc(cn1)Br H54947 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [1,0,0,0,0,0|1,0,0]=2 65 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [1,0,0,0,0,0|1,0,0]=2 67 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [1,0,0,0,0,0|0,0,0]=1 69 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [1,0,0,0,0,0|1,0,0]=2 70 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.22 COC(=O)c1ncc(cn1)Br H61339 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.22 c1cc(ccc1\C(=N\O)\N)N H51788 [1,0,0,0,0,0|3,0,0]=4 95 B13R1.17 CCCCC(=O)c1ccc(cc1)Br B24979 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl B25611 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.17 CCCCC(=O)c1ccc(cc1)F B22861 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.17 CCCNC(=O)c1ccc(cc1)Br H58961 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.17 CCCNC(=O)c1ccc(cc1)C H57134 [0,1,0,0,0,0|2,0,0]=3 100 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl H59578 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.17 CCCNC(=O)c1ccc(cc1)F H58710 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.17 CCCOC(=O)c1ccc(cc1)N L09066 [0,1,0,0,0,0|0,0,0]=1 103 B13R1.17 CCCOC(=O)c1ccc(cc1)O A10180 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.17 c1cc(ccc1C(=O)CCCCl)Br B24146 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.17 c1cc(ccc1C(=O)CCCCl)Cl B24608 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.17 c1cc(ccc1C(=O)CCCCl)F A11121 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.17 c1cc(ccc1C(=O)CCCCl)O B25543 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br H56478 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)C H61905 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.29 CCOS(=O)(=O)c1ccc(cc1)C B24658 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br H57478 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl H55420 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F H57054 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.132 CC(C)OC(=O)c1ccc(cc1)N A17551 [0,1,0,0,0,0|0,0,0]=1 115 B13R1.132 CC(C)OC(=O)c1ccc(cc1)O A13930 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C H56464 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.452 CCCC(=O)c1ccc(cc1)OC A11737 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.452 CCNC(=O)c1ccc(cc1)OC H59924 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.452 CCOC(=O)c1ccc(cc1)CBr L19219 [0,1,0,0,0,0|1,0,0]=2 120 B13R1.452 CCOC(=O)c1ccc(cc1)OC A14008 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.466 CCOC(=O)c1ccc(c(c1)N)N A17236 [0,1,0,0,0,0|0,0,0]=1 122 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O A11001 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.1511 CCOC(=O)c1c[nH]c(=O)[nH]c1=O H26507 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.1511 CCOC(=O)c1c[nH]c(=S)[nH]c1=O A17046 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.1511 CCOC(=O)c1ccc(cc1C)C L02759 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.1511 CCOC(=O)c1ccc(cc1F)F A13177 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl H63092 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.1511 CCOC(=O)c1cnc(cc1O)O H63842 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.1511 CCOC(=O)c1cnc(nc1C)Cl H61158 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)Cl H64788 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.1511 CCOC(=O)c1cnc(nc1N)S L07121 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.1511 CCOC(=O)c1cnc(nc1O)C H65453 [0,1,0,0,0,0|3,0,0]=4 133 B13R1.1511 CCOC(=O)c1cnc(nc1O)N L06654 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.520 c1cc(ccc1C(=O)C2CC2)Cl B22766 [0,0,0,1,0,0|2,0,0]=3 135 B13R2.520 c1cc(ccc1C(=O)C2CC2)F A15852 [0,0,0,1,0,0|2,0,0]=3 136 B13R2.5179 c1cc2c(cc1Br)CCCC2=O H52381 [0,0,0,1,0,0|2,0,0]=3 137 B13R2.5179 c1cc2c(cc1Br)CN=NC2=O H65609 [0,0,0,1,0,0|3,0,0]=4 138 B13R2.5179 c1cc2c(cc1F)OCCC2=O H31881 [0,0,0,1,0,0|3,0,0]=4 139 B13R2.5179 c1cc2c(cc1N)CCCC2=O H32028 [0,0,0,1,0,0|1,0,0]=2 140 B13R2.5179 c1cc2c(cc1O)CCCC2=O H32840 [0,0,0,1,0,0|2,0,0]=3 141 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O B21352 [0,0,0,1,0,0|2,0,1]=4 142 B13R2.5187 c1cc2c(cc1N)C(=O)NC2=O A17051 [0,0,0,1,0,0|2,0,1]=4 143 B11R1.15 CCOC(=O)c1cc(n[nH]1)C A12304 [0,0,0,0,1,0|3,0,0]=4 144 B11R1.15 CCOC(=O)c1cc(no1)C H63741 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.15 CCOC(=O)c1cc(on1)C A13226 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.15 CCOC(=O)c1ccc(o1)Br H52343 [0,0,0,0,1,0|2,0,0]=3 147 B11R1.15 CCOC(=O)c1ccc(s1)Br B22355 [0,0,0,0,1,0|2,0,0]=3 148 B11R1.15 CCOC(=O)c1ccc(s1)Cl L06385 [0,0,0,0,1,0|2,0,0]=3 149 B11R1.15 CCOC(=O)c1cnc(s1)Br H55109 [0,0,0,0,1,0|3,0,0]=4 150 B11R1.15 CCOC(=O)c1cnc(s1)N H31769 [0,0,0,0,1,0|2,0,0]=3 151 B11R1.15 CCOC(=O)c1coc(n1)Cl H31521 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.15 CCOC(=O)c1coc(n1)N H32542 [0,0,0,0,1,0|2,0,0]=3 153 B11R1.15 CCOC(=O)c1csc(n1)Br H31507 [0,0,0,0,1,0|3,0,0]=4 154 B11R1.15 CCOC(=O)c1csc(n1)C A12050 [0,0,0,0,1,0|3,0,0]=4 155 B11R1.15 CCOC(=O)c1csc(n1)N H30634 [0,0,0,0,1,0|2,0,0]=3 156 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br B22165 [0,0,0,0,0,1|1,0,0]=2 157 B13R1.19 CCOC(=O)Cc1ccc(cc1)C A16718 [0,0,0,0,0,1|1,0,0]=2 158 B13R1.19 CCOC(=O)Cc1ccc(cc1)N A11529 [0,0,0,0,0,1|0,0,0]=1 159 B13R1.19 CCOC(=O)Cc1ccc(cc1)O B21832 [0,0,0,0,0,1|1,0,0]=2 160 B10R1.1 CCCc1ccc(cc1)Br H26236 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.1 CCCc1ccc(cc1)I L05767 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.1 CCCc1ccc(cc1)N L03880 [2,0,0,0,0,0|0,0,1]=3 163 B10R1.1 CCCc1ccc(cc1)O A15342 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.1 CCOc1ccc(cc1)Br B21398 [2,0,0,0,0,0|1,0,0]=3 166 B10R1.1 CCOc1ccc(cc1)I B21644 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.1 CCOc1ccc(cc1)N A10416 [2,0,0,0,0,0|0,0,0]=2 168 B10R1.1 CCOc1ccc(cc1)O B20584 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.1 CCOc1ccc(cn1)Br H27197 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.1 CCOc1ccc(cn1)I H50156 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.1 CCSc1ccc(cc1)Br L13718 [2,0,0,0,0,0|1,1,0]=4 172 B10R1.1 c1cc(ccc1CCN)N L15782 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.1 c1cc(ccc1CCO)N L15223 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.17 CCC#Cc1ccccc1 A11332 [2,0,0,0,0,0|1,0,1]=4 175 B10R1.17 CCCCc1ccccc1 A10910 [2,0,0,0,0,0|1,0,1]=4 176 B10R1.17 CCNCc1ccccc1 L05651 [2,0,0,0,0,0|1,0,1]=4 177 B10R1.17 c1ccc(cc1)COCCl H60207 [2,0,0,0,0,0|1,0,1]=4 178 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.15 CCC(=O)c1ccccc1 A15140 [2,0,0,0,0,0|0,0,0]=2 182 B10R1.15 CCC(=O)c1cccnc1 L09711 [2,0,0,0,0,0|1,0,0]=3 183 B10R1.15 CCC(=O)c1ccncc1 L11552 [2,0,0,0,0,0|1,0,0]=3 184 B10R1.15 CCC(C)c1ccccc1 B22962 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.15 CCC(c1ccccc1)O A10830 [2,0,0,0,0,0|0,0,2]=4 186 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [2,0,0,0,0,0|0,0,2]=4 188 B10R1.15 CC[C@H](c1ccccc1)N L16319 [2,0,0,0,0,0|1,0,1]=4 189 B10R1.15 CC[C@H](c1ccccc1)O L05681 [2,0,0,0,0,0|0,0,2]=4 190 B10R1.15 CNC(=O)c1ccccc1 A18057 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.15 COC(=O)c1ccccc1 44368 [2,0,0,0,0,0|0,0,0]=2 192 B10R1.15 COC(=O)c1ccccc1 A12404 [2,0,0,0,0,0|0,0,0]=2 193 B10R1.15 COC(=O)c1ccccn1 H54530 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.15 COC(=O)c1cccnc1 B23908 [2,0,0,0,0,0|1,0,0]=3 195 B10R1.15 COC(=O)c1ccncc1 B23263 [2,0,0,0,0,0|1,0,0]=3 196 B10R1.15 COC(=O)c1ccnnc1 H27449 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.15 COC(=O)c1cnccn1 A12028 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [2,0,0,0,0,0|1,0,1]=4 199 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [2,0,0,0,0,0|1,0,0]=3 200 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [2,0,0,0,0,0|1,0,0]=3 201 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [2,0,0,0,0,0|1,0,0]=3 203 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.15 c1cnccc1C(=O)CBr H32285 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [2,0,0,0,0,0|1,0,1]=4 207 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [2,0,0,0,0,0|1,0,0]=3 212 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [2,0,0,0,0,0|1,0,0]=3 213 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [2,0,0,0,0,0|0,0,0]=2 214 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.13 CC(C)c1ccc(cc1)N A14646 [2,0,0,0,0,0|1,0,1]=4 217 B10R1.13 CC(c1ccc(cc1)N)O L03341 [2,0,0,0,0,0|0,0,2]=4 218 B10R1.13 CN(C)c1ccc(cc1)N A10343 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.13 CN(C)c1ccc(cc1)N A14175 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.13 CN(C)c1ccc(cc1)N A15962 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [2,0,0,0,0,0|1,0,0]=3 226 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [2,0,0,0,0,0|1,0,0]=3 240 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [2,0,0,0,0,0|1,0,0]=3 242 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [2,0,0,0,0,0|1,0,0]=3 243 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [2,0,0,0,0,0|1,0,0]=3 244 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [2,0,0,0,0,0|1,0,0]=3 245 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [2,0,0,0,0,0|0,0,0]=2 246 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [2,0,0,0,0,0|1,0,1]=4 248 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [2,0,0,0,0,0|1,1,0]=4 249 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [2,0,0,0,0,0|1,0,1]=4 251 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [2,0,0,0,0,0|1,0,0]=3 257 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [2,0,0,0,0,0|1,0,0]=3 261 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [2,0,0,0,0,0|2,0,0]=4 262 B12R1.1 CCCCCc1ccc(cc1)N H26569 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.1 CCCCOc1ccc(cc1)N A17528 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.71 CCCCc1ccc(cc1)CN B22316 [1,1,0,0,0,0|1,0,1]=4 265 B12R1.3 CC\C=C(\C=O)/c1ccccc1 A13635 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.17 CCNC(=O)c1cccc(c1)C H59871 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.17 CCNC(=O)c1cccc(c1)Cl H58141 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.17 CCOC(=O)c1cc(cnc1)Br B20788 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.17 CCOC(=O)c1cccc(c1)Br A10251 [1,1,0,0,0,0|0,0,0]=2 270 B12R1.17 CCOC(=O)c1cccc(c1)C B23925 [1,1,0,0,0,0|0,0,0]=2 271 B12R1.17 CCOC(=O)c1cccc(c1)Cl L01065 [1,1,0,0,0,0|0,0,0]=2 272 B12R1.17 CCOC(=O)c1cccc(c1)F L07984 [1,1,0,0,0,0|0,0,0]=2 273 B12R1.17 CCOC(=O)c1cccc(c1)I A14210 [1,1,0,0,0,0|0,0,0]=2 274 B12R1.17 CCOC(=O)c1cccc(c1)N A14448 [1,1,0,0,0,0|0,0,0]=2 275 B12R1.17 CCOC(=O)c1cccc(c1)O A15343 [1,1,0,0,0,0|0,0,0]=2 276 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] H58105 [1,1,0,0,0,0|0,0,0]=2 277 B12R1.17 CCOC(=O)c1cccc(n1)Cl H61701 [1,1,0,0,0,0|1,0,0]=3 278 B12R1.17 CCOC(=O)c1ccnc(c1)C H57239 [1,1,0,0,0,0|1,0,0]=3 279 B12R1.17 CCOC(=O)c1ccnc(c1)N H61280 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.30 C#CCOC(=O)c1ccccc1 H53444 [1,1,0,0,0,0|0,0,1]=3 281 B12R1.30 CCCCC(=O)c1ccccc1 A10525 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.30 c1ccc(cc1)C(=O)CCCCl L06383 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.30 c1ccc(cc1)C(=O)NCCCl L06212 [1,1,0,0,0,0|1,0,0]=3 284 B12R1.34 CN(C(=O)c1ccccc1)OC H54253 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.39 CCNS(=O)(=O)c1ccccc1 H55463 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [1,1,0,0,0,0|1,0,1]=4 287 B12R1.107 C\C(=C/C(=O)c1ccccc1)\[O-] A16051 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.308 CCNC(=O)c1ccccc1F H59435 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.308 CCNC(=O)c1cccnc1Cl H57514 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [1,1,0,0,0,0|0,0,0]=2 292 B12R1.308 CCOC(=O)c1ccccc1C L00598 [1,1,0,0,0,0|0,0,0]=2 293 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [1,1,0,0,0,0|0,0,0]=2 294 B12R1.308 CCOC(=O)c1ccccc1F A16564 [1,1,0,0,0,0|0,0,0]=2 295 B12R1.308 CCOC(=O)c1ccccc1I L07650 [1,1,0,0,0,0|0,0,0]=2 296 B12R1.308 CCOC(=O)c1ccccc1N A14378 [1,1,0,0,0,0|0,0,0]=2 297 B12R1.308 CCOC(=O)c1ccccc1O A10101 [1,1,0,0,0,0|0,0,0]=2 298 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [1,1,0,0,0,0|0,0,0]=2 299 B12R1.308 CCOC(=O)c1cccnc1Br H52335 [1,1,0,0,0,0|1,0,0]=3 300 B12R1.308 CCOC(=O)c1cccnc1C L03256 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.308 CCOC(=O)c1cccnc1Cl B20359 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.308 CCOC(=O)c1cccnc1N H64957 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.308 CCOC(=O)c1ccncc1N H64188 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.5 CCC(=O)c1ccc(cc1)OC A14619 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.5 CNc1ccc(cc1)C(=O)OC A13460 [1,1,0,0,0,0|0,0,0]=2 306 B12R1.5 COC(=O)c1ccc(cc1)C#C H53419 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.5 COC(=O)c1ccc(cc1)C#N L08365 [1,1,0,0,0,0|0,0,1]=3 308 B12R1.5 COC(=O)c1ccc(cc1)C=C H60057 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.5 COC(=O)c1ccc(cc1)C=O B24091 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.5 COC(=O)c1ccc(cc1)CBr A10557 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.5 COC(=O)c1ccc(cc1)CCl B22476 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.5 COC(=O)c1ccc(cc1)CO B22564 [1,1,0,0,0,0|1,0,0]=3 313 B12R1.5 COC(=O)c1ccc(nc1)CO H64750 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.5 COc1ccc(cc1)C(=O)CBr A13415 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.5 COc1ccc(cc1)C(=O)CN H66966 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.5 COc1ccc(cc1)C(=O)OC A12598 [1,1,0,0,0,0|1,0,0]=3 317 B12R1.5 COc1ccc(cn1)C(=O)OC B20808 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.5 c1cc(ccc1C#N)C(=O)CBr B25382 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC A10881 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.12 CCN(CC)c1ccc(cc1)N A17832 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.20 CC(C(=O)c1ccc(cc1)F)Br H61338 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.20 CC(C)C(=O)c1ccc(cc1)F H26036 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br H58994 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl H59486 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.20 CN(C)C(=O)c1ccc(cc1)F H58080 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.20 CN(C)C(=O)c1ccc(cc1)N H50364 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br H64881 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C H57881 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)Br H27466 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)F L19788 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F B25429 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl A18740 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl H31529 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.367 CCC(=O)c1ccc(c(c1)F)F A17257 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.367 CCC(=O)c1ccc(c(c1)O)O A13444 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.367 COC(=O)c1cc(c(nc1)Br)F H64395 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br H64754 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.367 COC(=O)c1cc(c(nc1)N)Br H33991 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.367 COC(=O)c1cc(c(nc1)O)Br H33548 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.367 COC(=O)c1ccc(c(c1)Br)N H64303 [1,1,0,0,0,0|0,0,0]=2 341 B12R1.367 COC(=O)c1ccc(c(c1)Br)O H30222 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl B20027 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N B22519 [1,1,0,0,0,0|0,0,0]=2 344 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O A12389 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.367 COC(=O)c1ccc(c(c1)F)F A19866 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.367 COC(=O)c1ccc(c(c1)F)O H61219 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.367 COC(=O)c1ccc(c(c1)I)O H56877 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.367 COC(=O)c1ccc(c(c1)N)I B25699 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.367 COC(=O)c1ccc(c(c1)N)N A14656 [1,1,0,0,0,0|0,0,0]=2 350 B12R1.367 COC(=O)c1ccc(c(c1)N)O H66894 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.367 COC(=O)c1ccc(c(c1)O)F B25683 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.367 COC(=O)c1ccc(c(c1)O)I H64354 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.367 COC(=O)c1ccc(c(c1)O)N L05687 [1,1,0,0,0,0|0,0,0]=2 354 B12R1.367 COC(=O)c1ccc(c(c1)O)O L09552 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.367 Cc1cc(ccc1Br)C(=O)OC A19078 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC L13110 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.367 Cc1cc(ccc1I)C(=O)OC B25395 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.367 Cc1cc(ccc1N)C(=O)OC H61117 [1,1,0,0,0,0|0,0,0]=2 359 B12R1.367 Cc1ccc(cc1Br)C(=O)OC B24372 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.367 Cc1ccc(cc1C)C(=O)OC B20024 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC H25933 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.367 Cc1ccc(cc1I)C(=O)OC H28734 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.367 Cc1ccc(cc1N)C(=O)OC A15348 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl A13365 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)F H61852 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.367 c1cc(c(cc1C(=O)CCl)Cl)Cl B25397 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O B23496 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.367 c1cc(c(cc1C(=O)NN)N)N L05263 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl A11252 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.1703 CCC(=O)c1ccc(cc1F)F A12032 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl B20583 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.1703 COC(=O)c1ccc(cc1Cl)F A18342 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.1703 COC(=O)c1ccc(cc1F)F H32161 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.1703 COC(=O)c1ccc(cc1F)O H61675 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.1703 COC(=O)c1ccc(cc1N)Cl L11125 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.1703 COC(=O)c1ccc(cc1N)F H61749 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.1703 COC(=O)c1ccc(cc1O)F L17846 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.1703 COC(=O)c1ccc(cc1O)I B25438 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.1703 COC(=O)c1ccc(cc1O)N 45520 [1,1,0,0,0,0|0,0,0]=2 381 B12R1.1703 COC(=O)c1ccc(cc1O)O B24757 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl H51092 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl H64077 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.1703 Cc1cc(ccc1C(=O)OC)F H63268 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br H64151 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC H63144 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC H64793 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr H59615 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl A10835 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr H56442 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl B22487 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.312 CCOC(=O)c1cc(c[nH]1)C=O H64776 [0,1,0,0,1,0|2,0,0]=4 393 B12R1.313 CCOC(=O)c1c(nc(s1)N)C A16896 [0,1,0,0,1,0|2,0,0]=4 394 B12R1.313 CCOC(=O)c1cc(sc1N)C H61766 [0,1,0,0,1,0|2,0,0]=4 395 B14R1.33 c1cc(ccc1NC(=O)CCCCl)Br H58144 [0,1,0,0,0,1|2,0,0]=4 396 B14R1.33 c1cc(ccc1NC(=O)CCCCl)F H59023 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.35 CCOC(=O)C(=O)c1ccc(nc1)Cl H50157 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.35 CCOC(=O)C(c1ccc(cc1)Br)Br H28093 [0,1,0,0,0,1|1,0,0]=3 399 B14R1.35 CCOC(=O)C(c1ccc(cc1)O)O L05413 [0,1,0,0,0,1|1,0,0]=3 400 B14R1.954 CCOC(=O)Cc1ccc(cc1)C#N H26078 [0,1,0,0,0,1|0,0,1]=3 401 B14R1.967 CCOC(=O)Cc1ccc(c(c1)Cl)Cl B21569 [0,1,0,0,0,1|1,0,0]=3 402 B14R1.19 CCCCNC(=O)c1ccc(cc1)Br H57927 [0,2,0,0,0,0|2,0,0]=4 403 B14R1.19 CCCCNC(=O)c1ccc(cc1)C H56730 [0,2,0,0,0,0|2,0,0]=4 404 B14R1.19 CCCCNC(=O)c1ccc(cc1)F H57948 [0,2,0,0,0,0|2,0,0]=4 405 B14R1.19 CCCCOC(=O)c1ccc(cc1)N H54690 [0,2,0,0,0,0|0,0,0]=2 406 B14R1.19 CCCCOC(=O)c1ccc(cc1)O A14043 [0,2,0,0,0,0|1,0,0]=3 407 B14R1.125 Cc1ccc(cc1)S(=O)(=O)OCCCl A11863 [0,2,0,0,0,0|2,0,0]=4 408 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Br H57385 [0,2,0,0,0,0|2,0,0]=4 409 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)Cl H55610 [0,2,0,0,0,0|2,0,0]=4 410 B14R1.678 CC(C)CNC(=O)c1ccc(cc1)F H57562 [0,2,0,0,0,0|2,0,0]=4 411 B14R1.678 CC(C)COC(=O)c1ccc(cc1)O L17587 [0,2,0,0,0,0|1,0,0]=3 412 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)C H56657 [0,2,0,0,0,0|2,0,0]=4 413 B14R1.678 c1cc(ccc1C(=O)NCC(=O)O)N A13786 [0,2,0,0,0,0|1,0,1]=4 414 B14R1.678 c1cc(ccc1C(=O)NCC(=O)[O-])N A15775 [0,2,0,0,0,0|1,0,1]=4 415 B14R1.926 CCCNC(=O)c1ccc(cc1)CCl H60403 [0,2,0,0,0,0|2,0,0]=4 416 B14R1.926 CCCNC(=O)c1ccc(cc1)OC H59059 [0,2,0,0,0,0|2,0,0]=4 417 B14R1.926 COc1ccc(cc1)C(=O)CCCCl A15456 [0,2,0,0,0,0|2,0,0]=4 418 B14R1.88 CCN(CC)C(=O)c1ccc(cc1)Br H58941 [0,2,0,0,0,0|2,0,0]=4 419 B14R1.88 CCN(CC)C(=O)c1ccc(cc1)C H57166 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.88 CCN(CC)C(=O)c1ccc(cc1)Cl H59284 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.88 CCN(CC)C(=O)c1ccc(cc1)F H58049 [0,2,0,0,0,0|2,0,0]=4 422 B14R1.2 CC(C)NC(=O)c1ccc(cc1)OC H59937 [0,2,0,0,0,0|2,0,0]=4 423 B14R1.683 CC(C)(C)NC(=O)c1ccc(cc1)Br H57555 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.683 CC(C)(C)NC(=O)c1ccc(cc1)Cl H55046 [0,2,0,0,0,0|2,0,0]=4 425 B14R1.683 CC(C)(C)NC(=O)c1ccc(cc1)F H57752 [0,2,0,0,0,0|2,0,0]=4 426 B14R1.683 Cc1ccc(cc1)C(=O)NC(C)(C)C H56895 [0,2,0,0,0,0|2,0,0]=4 427 B14R1.25 CCOC(=O)c1ccc(cc1)N=C=O L10681 [0,2,0,0,0,0|0,0,1]=3 428 B14R1.25 CCOC(=O)c1ccc(cc1)N=C=S L12522 [0,2,0,0,0,0|0,0,1]=3 429 B14R1.25 CCOc1ccc(cc1)C(=O)OCC A15010 [0,2,0,0,0,0|1,0,0]=3 430 B14R1.610 B(c1ccc(cc1)C(=O)NCC)(O)O H53226 [0,2,0,0,0,0|2,0,0]=4 431 B14R1.610 B(c1ccc(cc1)C(=O)OCC)(O)O H26356 [0,2,0,0,0,0|1,0,0]=3 432 B14R1.610 CCOC(=O)c1ccc(cc1)C(=O)C H63258 [0,2,0,0,0,0|1,0,0]=3 433 B14R1.610 CCOC(=O)c1ccc(cc1)N(C)C A12888 [0,2,0,0,0,0|0,0,0]=2 434 B14R1.610 CCOC(=O)c1ccc(cc1)[N+](=O)[O-] A13398 [0,2,0,0,0,0|0,0,1]=3 435 B14R1.626 CCOC(=O)c1ccc(c(c1)OC)O L05798 [0,2,0,0,0,0|1,0,0]=3 436 B14R1.6821 CCOC(=O)c1cc(c(c(c1)Cl)O)Cl A12489 [0,2,0,0,0,0|1,0,0]=3 437 B14R1.6821 CCOC(=O)c1cc(c(c(c1)O)O)O A13733 [0,2,0,0,0,0|1,0,0]=3 438 B14R1.18811 CCOC(=O)c1c(cc(=O)oc1C)C A15955 [0,2,0,0,0,0|2,0,0]=4 439 B14R1.18811 CCOC(=O)c1c(cc(nc1O)C)O H27148 [0,2,0,0,0,0|2,0,0]=4 440 B12R2.24 c1cc2c(cc1N)CCNC2 H66983 [1,0,0,1,0,0|1,0,1]=4 441 B12R2.2 c1ccc(cc1)C2=NCCN2 H59095 [1,0,0,1,0,0|2,0,0]=4 442 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [1,0,0,1,0,0|1,0,1]=4 443 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [1,0,0,1,0,0|2,0,0]=4 444 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [1,0,0,1,0,0|1,0,0]=3 445 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [1,0,0,1,0,0|2,0,0]=4 446 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [1,0,0,1,0,0|2,0,0]=4 447 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [1,0,0,1,0,0|1,0,1]=4 448 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [1,0,0,1,0,0|1,0,1]=4 449 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 L02218 [1,0,0,1,0,0|1,0,0]=3 450 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [1,0,0,1,0,0|1,0,0]=3 451 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [1,0,0,1,0,0|1,0,0]=3 452 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [1,0,0,1,0,0|2,0,0]=4 453 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [1,0,0,1,0,0|1,0,0]=3 454 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [1,0,0,1,0,0|1,0,0]=3 455 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [1,0,0,1,0,0|1,0,0]=3 456 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [1,0,0,1,0,0|0,0,0]=2 457 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [1,0,0,1,0,0|0,0,0]=2 458 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [1,0,0,1,0,0|2,0,0]=4 459 B14R2.926 c1cc(ccc1N2CCCC2=O)Br H50563 [0,0,0,1,0,1|2,0,0]=4 460 B14R2.949 c1cc(ccc1NC(=O)C2CC2)I H50571 [0,0,0,1,0,1|2,0,0]=4 461 B14R2.10606 c1cc(ccc1C(=O)C2CCC2)F H27491 [0,1,0,1,0,0|2,0,0]=4 462 B14R2.329 COc1ccc(cc1)C(=O)C2CC2 B20725 [0,1,0,1,0,0|2,0,0]=4 463 B14R2.1801 COc1ccc2c(c1)CCCC2=O A15967 [0,1,0,1,0,0|2,0,0]=4 464 B10R1.11 CCCC(=O)C1=CC=CC1 39404 [1,0,0,0,1,0|1,0,1]=4 465 B10R1.11 CCCC(=O)c1ccco1 H26287 [1,0,0,0,1,0|2,0,0]=4 466 B10R1.11 CCCC(=O)c1cccs1 A15048 [1,0,0,0,1,0|2,0,0]=4 467 B10R1.11 CCOC(=O)c1[nH]ccn1 L19405 [1,0,0,0,1,0|2,0,0]=4 468 B10R1.11 CCOC(=O)c1c[nH]cn1 H64095 [1,0,0,0,1,0|2,0,0]=4 469 B10R1.11 CCOC(=O)c1c[nH]nc1 B25351 [1,0,0,0,1,0|2,0,0]=4 470 B10R1.11 CCOC(=O)c1ccc[nH]1 L16382 [1,0,0,0,1,0|1,0,0]=3 471 B10R1.11 CCOC(=O)c1ccco1 A13909 [1,0,0,0,1,0|1,0,0]=3 472 B10R1.11 CCOC(=O)c1cccs1 A12302 [1,0,0,0,1,0|1,0,0]=3 473 B10R1.11 CCOC(=O)c1ccsc1 B22468 [1,0,0,0,1,0|1,0,0]=3 474 B10R1.11 CCOC(=O)c1cnco1 H32924 [1,0,0,0,1,0|2,0,0]=4 475 B10R1.14 COC(=O)c1cc(c[nH]1)Br H33918 [1,0,0,0,1,0|2,0,0]=4 476 B10R1.14 COC(=O)c1cc(c[nH]1)I H33193 [1,0,0,0,1,0|2,0,0]=4 477 B10R1.14 COC(=O)c1ccc(o1)Br B20524 [1,0,0,0,1,0|2,0,0]=4 478 B10R1.14 COC(=O)c1ccc(o1)N L05958 [1,0,0,0,1,0|1,0,0]=3 479 B10R1.14 Cc1ccc(o1)C(=O)OC H27570 [1,0,0,0,1,0|2,0,0]=4 480 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [1,0,0,0,0,1|0,0,0]=2 481 B12R1.32 CCOC(=O)Cc1ccccn1 B23988 [1,0,0,0,0,1|1,0,0]=3 482 B12R1.32 CCOC(=O)Cc1cccnc1 A14768 [1,0,0,0,0,1|1,0,0]=3 483 B12R1.32 CCOC(=O)Cc1ccncc1 A14550 [1,0,0,0,0,1|1,0,0]=3 484 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [1,0,0,0,0,1|0,0,0]=2 485 B14R1.502 CCOC(=O)CCc1ccc(cc1)Br H61633 [0,0,0,0,0,2|1,0,0]=3 486 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)Br H27544 [0,0,0,0,0,2|1,0,0]=3 487 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)N L04464 [0,0,0,0,0,2|0,0,0]=2