0 B11R1.28 CNCCCc1ccccc1 AB10671 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.28 CNCCOc1ccccn1 AB60653 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 c1ccc(cc1)CCCCN AB00942 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.28 c1ccc(cc1)CCCCN AB13248 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.28 c1ccc(cc1)COCCN AB05315 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.28 c1ccc(cc1)NCCCN MB00433 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.28 c1ccnc(c1)OCCCN AB60652 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 CNCCc1cccnc1 AB10676 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 CNCCc1ccncc1 AB02055 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.17 c1cnc(cn1)CCC=O AB57652 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 c1cnc(nc1)CCC=O AB57644 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 c1cnc(nc1)NCCN AB49586 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 c1cnccc1CCCN AB43583 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 c1cncnc1CCC=O AB57649 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.1 CNCCCc1ccc(cc1)Br AB38786 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.1 CNCCCc1ccc(cc1)Cl AB38779 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.1 CNCCCc1ccc(cc1)F AB38773 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.1 COCCNc1ncc(cn1)Br AB15621 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.1 COCCOc1ccc(cc1)O AB19320 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.1 Cc1ccc(cc1)CCCNC AB38761 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.1 c1c(cnc(n1)NCCCO)Br AB15639 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.1 c1cc(ccc1CCCCN)Cl AB54564 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.1 c1cc(ccc1CCCCN)F AB54561 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.1 c1cc(ccc1CCCCN)O AB07609 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.8 c1ccc(cc1)CCCCCN AB07613 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.8 c1ccc(cc1)COCCCN AB30616 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.28 CNCCCc1cccc(c1)Br AB38785 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.28 CNCCCc1cccc(c1)Cl AB38778 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.28 CNCCCc1cccc(c1)F AB38769 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.28 Cc1cccc(c1)CCCNC AB38759 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.30 CN(CCCN)c1ccccc1 AB04605 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.30 CN(CCCN)c1ccccn1 AB60649 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.30 CNCCC(c1ccccc1)O AB06932 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,1,0,0,0,0|1,0,1]=3 42 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.32 CCOC(=O)Cc1ncccn1 PB14776 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.267 CNCCCc1ccccc1Br AB38782 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.267 CNCCCc1ccccc1Cl AB38777 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.267 CNCCCc1ccccc1F AB38765 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.267 Cc1ccccc1CCCNC AB38758 [0,1,0,0,0,0|2,0,0]=3 49 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,0,0,1,0,0|2,0,0]=3 50 B12R2.1 CNC1CCc2c1cccn2 AB70125 [0,0,0,1,0,0|1,0,0]=2 51 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,0,0,1,0,0|2,0,0]=3 52 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,0,0,1,0,0|2,0,1]=4 54 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,0,0,1,0,0|2,0,0]=3 55 B12R2.2 c1cc(cnc1)C2CCCN2 AB01223 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [0,0,0,1,0,0|2,0,0]=3 57 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [0,0,0,1,0,0|2,0,0]=3 58 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [0,0,0,1,0,0|2,0,0]=3 59 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [0,0,0,1,0,0|2,0,0]=3 60 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [0,0,0,1,0,0|2,0,0]=3 61 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [0,0,0,1,0,0|2,0,0]=3 62 B12R2.2 c1ccnc(c1)C2CCCN2 PB23261 [0,0,0,1,0,0|1,0,0]=2 63 B12R2.2 c1ccnc(c1)C2CCNC2 AB10236 [0,0,0,1,0,0|1,0,0]=2 64 B12R2.2 c1ccnc(c1)[C@@H]2CCCN2 AB39377 [0,0,0,1,0,0|1,0,0]=2 65 B12R2.2 c1cnc(nc1)C2CCCN2 AB58645 [0,0,0,1,0,0|2,0,0]=3 66 B12R2.2 c1cnc(nc1)C2CCNC2 AB58641 [0,0,0,1,0,0|2,0,0]=3 67 B12R2.2 c1cnccc1C2CCCN2 AB10234 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.2 c1cnccc1C2CCNC2 AB10240 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.2 c1cnccc1[C@@H]2CCCN2 AB49753 [0,0,0,1,0,0|3,0,0]=4 70 B12R2.2 c1cnccc1[C@H]2CCCN2 AB49756 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.41 c1ccc2c(c1)CCCCN2 AB05634 [0,0,0,1,0,0|2,0,0]=3 72 B12R2.41 c1ccc2c(c1)CCCNC2 AB49623 [0,0,0,1,0,0|2,0,0]=3 73 B12R2.41 c1ccc2c(c1)CCNCC2 AB16913 [0,0,0,1,0,0|2,0,0]=3 74 B12R2.41 c1ccc2c(c1)CCNCC2 PB31022 [0,0,0,1,0,0|2,0,0]=3 75 B12R2.41 c1ccc2c(c1)CNCCN2 AB30307 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.41 c1ccc2c(c1)COCCN2 AB62713 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.41 c1cncc2c1CCCNC2 AB76151 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.41 c1cncc2c1CNCCC2 AB77487 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,0,0,1,0,0|2,0,0]=3 80 B12R2.1081 c1c2c(ncn1)CCCC2=O AB49635 [0,0,0,1,0,0|2,0,1]=4 81 B12R2.1081 c1cc2c(nc1)C(CCC2)N MB05927 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,0,0,1,0,0|1,0,1]=3 83 B12R2.1081 c1cc2c(nc1)CCCC2N PB24835 [0,0,0,1,0,0|1,0,0]=2 84 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,0,0,1,0,0|2,0,1]=4 85 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,0,0,1,0,0|2,0,1]=4 86 B12R2.1081 c1cc2c(nc1)OCCC2N AB70317 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.1081 c1cncc2c1C(CCC2)N MB05957 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.1081 c1cncc2c1CCCC2N MB05952 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.2057 c1cc(cnc1)OCC2CC2 MB19960 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.8 C#CCc1ccccn1 AB73234 [2,0,0,0,0,0|0,0,2]=4 100 B9R1.8 CNCc1ccccn1 AB10674 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.8 CNCc1cnccn1 PB18749 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.8 CNCc1ncccn1 PB29842 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.8 c1cc(nnc1)CCN AB61130 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.8 c1ccnc(c1)CC#N AB00727 [2,0,0,0,0,0|1,0,1]=4 105 B9R1.8 c1ccnc(c1)CC=O AB61426 [2,0,0,0,0,0|1,0,1]=4 106 B9R1.8 c1ccnc(c1)CCN AB00732 [2,0,0,0,0,0|1,0,0]=3 107 B9R1.8 c1ccnc(c1)CNN PB19014 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.8 c1cnc(cn1)CCN AB22666 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.8 c1cnc(nc1)CCN AB55156 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.8 c1cncnc1CCN PB14818 [2,0,0,0,0,0|2,0,0]=4 111 B11R1.1 CCCOc1cnc(cn1)Br AB54208 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.1 CCCOc1ncc(cn1)Br AB41267 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.1 c1c(ncc(n1)Cl)CCCN AB69913 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.16 CCCC(c1cnccn1)N AB27585 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.16 CN(CCN)c1ccccn1 AB60648 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.17 Cc1ccccc1CCCN AB38679 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.24 CCCOc1cccc(n1)Br AB05235 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.24 CCCOc1nccc(n1)Br AB54370 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.24 Cc1cccc(c1)CCCN AB38680 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.24 Cc1cccc(c1)CCNC AB27735 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.24 Cc1cccc(n1)CCCN AB55096 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.24 c1cnc(cc1F)CCCN AB68075 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.40 CC(Cc1ccccc1)CN CB11363 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.27 Cc1nc(cs1)CCCCN MB12237 [0,1,0,0,1,0|2,0,0]=4 158 B11R1.29 CNCCC(c1cccs1)O AB24966 [0,1,0,0,1,0|2,0,0]=4 159 B13R1.9 c1cc(ccc1CNCCCBr)Cl AB65678 [0,2,0,0,0,0|2,0,0]=4 160 B13R1.19 CCOC(=O)Cc1ccc(cn1)Br PB32861 [0,2,0,0,0,0|1,0,1]=4 161 B13R1.19 CCOC(=O)Cc1ccc(cn1)C AB62474 [0,2,0,0,0,0|1,0,1]=4 162 B13R1.19 CCOC(=O)Cc1ccc(cn1)Cl AB62485 [0,2,0,0,0,0|1,0,1]=4 163 B13R1.19 CCOC(=O)Cc1ccc(cn1)I PB37907 [0,2,0,0,0,0|1,0,1]=4 164 B13R1.19 CCOC(=O)Cc1ccc(cn1)N PB35666 [0,2,0,0,0,0|1,0,1]=4 165 B13R1.19 CCOC(=O)Cc1ccc(cn1)O PB13946 [0,2,0,0,0,0|1,0,1]=4 166 B13R1.369 CNCCCc1ccc(cc1Cl)Cl AB38820 [0,2,0,0,0,0|2,0,0]=4 167 B13R1.369 CNCCCc1ccc(cc1F)F AB38825 [0,2,0,0,0,0|2,0,0]=4 168 B13R1.371 CCc1ccc(cc1)CCCNC AB38788 [0,2,0,0,0,0|2,0,0]=4 169 B13R1.371 CNCCCc1ccc(cc1)OC AB38807 [0,2,0,0,0,0|2,0,0]=4 170 B13R1.371 COc1ccc(cc1)CCCCN AB07612 [0,2,0,0,0,0|2,0,0]=4 171 B13R1.669 CNCCCc1ccc(c(c1)F)F AB38831 [0,2,0,0,0,0|2,0,0]=4 172 B13R1.555 c1ccc(c(c1)CNCCCBr)Cl AB65682 [0,2,0,0,0,0|2,0,0]=4 173 B13R1.351 c1ccnc(c1)CCC(C(=O)O)N AB34675 [0,2,0,0,0,0|1,0,1]=4 174 B13R1.351 c1ccnc(c1)CC[C@@H](C(=O)O)N AB34679 [0,2,0,0,0,0|1,0,1]=4 175 B13R1.351 c1ccnc(c1)CC[C@H](C(=O)O)N AB34678 [0,2,0,0,0,0|1,0,1]=4 176 B13R1.16 CNCCCc1cccc(c1Cl)Cl AB38816 [0,2,0,0,0,0|2,0,0]=4 177 B13R1.16 CNCCCc1cccc(c1F)F AB38824 [0,2,0,0,0,0|2,0,0]=4 178 B13R1.20 CCOC(=O)Cc1cc(ccn1)Br AB56161 [0,2,0,0,0,0|1,0,1]=4 179 B13R1.20 CCOC(=O)Cc1cc(ccn1)Cl AB62486 [0,2,0,0,0,0|1,0,1]=4 180 B13R1.20 CCOC(=O)Cc1cc(ccn1)F AB73183 [0,2,0,0,0,0|1,0,1]=4 181 B13R1.20 CCOC(=O)Cc1cccc(n1)Br AB56168 [0,2,0,0,0,0|1,0,1]=4 182 B13R1.20 CCOC(=O)Cc1cccc(n1)C AB62471 [0,2,0,0,0,0|1,0,1]=4 183 B13R1.20 CCOC(=O)Cc1cccc(n1)N AB51555 [0,2,0,0,0,0|1,0,1]=4 184 B13R1.55 CNCCCc1cc(cc(c1)F)F AB38833 [0,2,0,0,0,0|2,0,0]=4 185 B13R1.656 CNCCCc1cc(ccc1F)F AB38826 [0,2,0,0,0,0|2,0,0]=4 186 B13R1.666 CNCCCc1cccc(c1)OC AB38803 [0,2,0,0,0,0|2,0,0]=4 187 B13R1.45 CN(C)CCC(c1ccccc1)O AB03278 [0,2,0,0,0,0|2,0,0]=4 188 B13R1.47 CCOC(=O)C(c1ccccn1)N PB12827 [0,2,0,0,0,0|1,0,1]=4 189 B13R1.470 CCOC(=O)Cc1c(cccn1)C AB62477 [0,2,0,0,0,0|1,0,1]=4 190 B13R1.470 CCOC(=O)Cc1c(cccn1)N AB64428 [0,2,0,0,0,0|1,0,1]=4 191 B13R1.3523 CC(C)(COCc1ccccc1)O AB84932 [0,2,0,0,0,0|2,0,0]=4 192 B13R1.84 CNCCCc1ccccc1OC AB38801 [0,2,0,0,0,0|2,0,0]=4 193 B13R1.8919 CNCCCc1c(cccc1F)F AB38827 [0,2,0,0,0,0|2,0,0]=4 194 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [1,0,0,1,0,0|1,0,1]=4 195 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|2,0,0]=4 196 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [1,0,0,1,0,0|1,0,1]=4 197 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [1,0,0,1,0,0|1,0,0]=3 198 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [1,0,0,1,0,0|2,0,0]=4 199 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|2,0,0]=4 200 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|2,0,0]=4 201 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|2,0,0]=4 202 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [1,0,0,1,0,0|2,0,0]=4 203 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [1,0,0,1,0,0|2,0,0]=4 204 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [1,0,0,1,0,0|2,0,0]=4 205 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [1,0,0,1,0,0|2,0,0]=4 206 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [1,0,0,1,0,0|2,0,0]=4 207 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [1,0,0,1,0,0|1,0,0]=3 208 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [1,0,0,1,0,0|1,0,0]=3 209 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [1,0,0,1,0,0|1,0,0]=3 210 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [1,0,0,1,0,0|2,0,0]=4 211 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [1,0,0,1,0,0|2,0,0]=4 212 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [1,0,0,1,0,0|2,0,0]=4 213 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [1,0,0,1,0,0|2,0,0]=4 214 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [1,0,0,1,0,0|1,0,0]=3 215 B11R2.2 c1cnn(c1)C2CCNC2 AB69493 [0,0,0,1,1,0|2,0,0]=4 216 B11R2.2 c1cnn(c1)[C@@H]2CCNC2 AB69501 [0,0,0,1,1,0|2,0,0]=4 217 B11R2.2 c1cnn(c1)[C@H]2CCNC2 AB69503 [0,0,0,1,1,0|2,0,0]=4 218 B11R2.2 c1csc(n1)C2CCCN2 AB20855 [0,0,0,1,1,0|2,0,0]=4 219 B11R2.18 C1CCNC2=CCN=C2C1 AB43880 [0,0,0,1,1,0|1,0,1]=4 220 B11R2.18 c1c2c(no1)CCNCC2 AB71839 [0,0,0,1,1,0|2,0,0]=4 221 B11R2.18 c1coc2c1NCCCC2 AB43876 [0,0,0,1,1,0|2,0,0]=4 222 B11R2.18 c1csc2c1NCCCC2 AB43874 [0,0,0,1,1,0|2,0,0]=4 223 B11R2.106 CC1c2cccn2CCN1 AB05925 [0,0,0,1,1,0|2,0,0]=4 224 B13R2.12 c1c(cnc(n1)C2CCCN2)Cl AB58671 [0,1,0,1,0,0|2,0,0]=4 225 B13R2.12 c1c(cnc(n1)C2CCNC2)Cl AB59151 [0,1,0,1,0,0|2,0,0]=4 226 B13R2.12 c1c(cnc(n1)N2CCCC2)Br AB06303 [0,1,0,1,0,0|2,0,0]=4 227 B13R2.12 c1c(ncc(n1)Br)C2CCCC2 MB09642 [0,1,0,1,0,0|1,0,0]=3 228 B13R2.12 c1c(ncc(n1)Br)N2CCCC2 AB54081 [0,1,0,1,0,0|2,0,0]=4 229 B13R2.12 c1cc(ccc1C2CCCN2)Br AB12047 [0,1,0,1,0,0|2,0,0]=4 230 B13R2.12 c1cc(ccc1C2CCCN2)F AB12040 [0,1,0,1,0,0|2,0,0]=4 231 B13R2.12 c1cc(ccc1C2CCNC2)Br AB27856 [0,1,0,1,0,0|2,0,0]=4 232 B13R2.12 c1cc(ccc1C2CCNC2)F AB13032 [0,1,0,1,0,0|2,0,0]=4 233 B13R2.12 c1cc(ccc1[C@@H]2CCNC2)F AB66506 [0,1,0,1,0,0|2,0,0]=4 234 B13R2.12 c1cc(ccc1[C@H]2CCNC2)F AB66508 [0,1,0,1,0,0|2,0,0]=4 235 B13R2.12 c1cc(ncc1Br)C2CCCN2 AB39373 [0,1,0,1,0,0|1,0,0]=3 236 B13R2.12 c1cc(ncc1Br)C2CCNC2 AB69218 [0,1,0,1,0,0|1,0,0]=3 237 B13R2.12 c1cc(ncc1Br)C2OCCO2 AB25949 [0,1,0,1,0,0|2,0,0]=4 238 B13R2.12 c1cc(ncc1Br)N2CCCC2 AB42578 [0,1,0,1,0,0|1,0,0]=3 239 B13R2.12 c1cc(ncc1C2CCCC2)Br MB10301 [0,1,0,1,0,0|2,0,0]=4 240 B13R2.12 c1cc(ncc1Cl)C2CCNC2 AB69216 [0,1,0,1,0,0|1,0,0]=3 241 B13R2.12 c1cc(ncc1F)C2CCNC2 AB69215 [0,1,0,1,0,0|1,0,0]=3 242 B13R2.12 c1cc(nnc1C2CCCC2)Cl MB13914 [0,1,0,1,0,0|1,0,0]=3 243 B13R2.12 c1cc(nnc1N2CCCC2)Cl MB03659 [0,1,0,1,0,0|2,0,0]=4 244 B13R2.162 CC1CNCc2c1cc(cc2)Cl AB65681 [0,1,0,1,0,0|2,0,0]=4 245 B13R2.162 Cc1cc2c(nc1)CCCC2=O AB08509 [0,1,0,1,0,0|1,0,1]=4 246 B13R2.162 Cc1cc2c(nc1)CCCC2N MB69197 [0,1,0,1,0,0|1,0,0]=3 247 B13R2.162 Cc1ccc2c(c1)C(CCC2)N AB38432 [0,1,0,1,0,0|2,0,0]=4 248 B13R2.162 Cc1ccc2c(c1)[C@@H](CCC2)N AB38434 [0,1,0,1,0,0|2,0,0]=4 249 B13R2.162 Cc1ccc2c(c1)[C@H](CCC2)N AB38436 [0,1,0,1,0,0|2,0,0]=4 250 B13R2.162 c1c(cnc2c1C(=O)CCC2)Br AB57075 [0,1,0,1,0,0|1,0,1]=4 251 B13R2.162 c1c(cnc2c1C(=O)CCC2)Cl AB57067 [0,1,0,1,0,0|1,0,1]=4 252 B13R2.162 c1c(cnc2c1C(=O)CCC2)F AB57079 [0,1,0,1,0,0|1,0,1]=4 253 B13R2.162 c1cc2c(cc1Br)C(CCC2)N AB38528 [0,1,0,1,0,0|2,0,0]=4 254 B13R2.162 c1cc2c(cc1Br)[C@@H](CCC2)N AB38529 [0,1,0,1,0,0|2,0,0]=4 255 B13R2.162 c1cc2c(cc1Br)[C@H](CCC2)N AB38531 [0,1,0,1,0,0|2,0,0]=4 256 B13R2.162 c1cc2c(cc1Cl)C(CCC2)N AB38498 [0,1,0,1,0,0|2,0,0]=4 257 B13R2.162 c1cc2c(cc1Cl)[C@@H](CCC2)N AB38499 [0,1,0,1,0,0|2,0,0]=4 258 B13R2.162 c1cc2c(cc1Cl)[C@H](CCC2)N AB38500 [0,1,0,1,0,0|2,0,0]=4 259 B13R2.162 c1cc2c(cc1F)[C@@H](CCC2)N AB38448 [0,1,0,1,0,0|2,0,0]=4 260 B13R2.162 c1cc2c(cc1F)[C@H](CCC2)N AB38450 [0,1,0,1,0,0|2,0,0]=4 261 B13R2.162 c1cc2c(cc1O)C(CCC2)N MB69099 [0,1,0,1,0,0|2,0,0]=4 262 B13R2.2136 CNC1CCc2c1cc(cc2)Br AB63992 [0,1,0,1,0,0|2,0,0]=4 263 B13R2.2136 CNC1CCc2c1cc(cc2)Cl AB63985 [0,1,0,1,0,0|2,0,0]=4 264 B13R2.2136 CNC1CCc2c1cc(cc2)F AB63989 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.3729 c1c2c(nc(n1)Cl)CCNCC2 AB77311 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.3729 c1cc2c(cc1Cl)CCNCC2 AB55631 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.3729 c1cc2c(cc1N)CCCCN2 AB65828 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.3729 c1cc2c(cc1N)CCNCC2 AB24911 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.3729 c1cc2c(cc1O)CNCCC2 AB44026 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.1 c1ccc2c(c1)CCC2CC#N AB60218 [0,1,0,1,0,0|1,0,1]=4 271 B13R2.3 c1cc(cnc1)C2CCCCN2 AB00736 [0,1,0,1,0,0|2,0,0]=4 272 B13R2.3 c1cc(cnc1)[C@@H]2CCCCN2 AB07621 [0,1,0,1,0,0|2,0,0]=4 273 B13R2.3 c1cc(cnc1)[C@H]2CCCCN2 AB49757 [0,1,0,1,0,0|2,0,0]=4 274 B13R2.3 c1ccc(cc1)C2CCCNC2 AB07314 [0,1,0,1,0,0|1,0,0]=3 275 B13R2.3 c1ccc(cc1)C2CCNCC2 AB00564 [0,1,0,1,0,0|1,0,0]=3 276 B13R2.3 c1ccc(cc1)C2CNCCN2 AB10478 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.3 c1ccc(cc1)C2CNCCO2 AB09828 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.3 c1ccc(cc1)C2COCCN2 AB50984 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.3 c1ccc(cc1)N2CCNCC2 AB00546 [0,1,0,1,0,0|2,0,0]=4 280 B13R2.3 c1ccc(cc1)[C@@H]2CCCNC2 AB16327 [0,1,0,1,0,0|1,0,0]=3 281 B13R2.3 c1ccc(cc1)[C@@H]2CNCCN2 AB31252 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.3 c1ccc(cc1)[C@H]2CCCNC2 AB16326 [0,1,0,1,0,0|1,0,0]=3 283 B13R2.3 c1ccc(cc1)[C@H]2CNCCN2 AB31256 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.3 c1ccc(cc1)[C@H]2COCCN2 AB62678 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.3 c1ccnc(c1)C2CCNCC2 AB21583 [0,1,0,1,0,0|0,0,0]=2 286 B13R2.3 c1ccnc(c1)C2CNCCN2 AB36501 [0,1,0,1,0,0|1,0,0]=3 287 B13R2.3 c1ccnc(c1)C2COCCN2 AB72727 [0,1,0,1,0,0|1,0,0]=3 288 B13R2.3 c1ccnc(c1)N2CCNCC2 AB00623 [0,1,0,1,0,0|1,0,0]=3 289 B13R2.3 c1ccnc(c1)[C@@H]2CNCCN2 AB36503 [0,1,0,1,0,0|1,0,0]=3 290 B13R2.3 c1ccnc(c1)[C@H]2CNCCN2 AB36502 [0,1,0,1,0,0|1,0,0]=3 291 B13R2.3 c1cnc(nc1)C2CCNCC2 AB55831 [0,1,0,1,0,0|1,0,0]=3 292 B13R2.3 c1cnccc1C2CCNCC2 AB22669 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.3 c1cncnc1C2CCNCC2 AB51552 [0,1,0,1,0,0|1,0,0]=3 294 B13R2.3 c1cncnc1N2CCNCC2 AB59360 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.15 CN1CCC[C@@H]1c2cccnc2 AB05474 [0,1,0,1,0,0|2,0,0]=4 296 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2N AB60630 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2O PB20756 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.64 c1cc(cnc1)CC2CCNC2 AB20722 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.64 c1ccc(cc1)CC2CCCN2 AB09388 [0,1,0,1,0,0|1,0,0]=3 300 B13R2.67 c1ccc2c(c1)CCCCCN2 AB65827 [0,1,0,1,0,0|1,0,0]=3 301 B13R2.1613 CCC1CNCc2c1cccc2 MB06169 [0,1,0,1,0,0|1,0,0]=3 302 B13R2.1613 CNC1CCCc2c1cccc2 MB03780 [0,1,0,1,0,0|1,0,0]=3 303 B13R2.1613 c1ccc2c(c1)CCCC2CN AB11056 [0,1,0,1,0,0|1,0,0]=3 304 B13R2.5252 c1ccc2c(c1)C(CCCN2)N AB27677 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.5252 c1ccc2c(c1)[C@@H](CCCN2)N AB29365 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.5252 c1ccc2c(c1)[C@H](CCCN2)N AB27678 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 AB03360 [0,1,0,1,0,0|1,0,1]=4 308 B13R2.32 c1ccc2c(c1)CCC(C2O)Br MB00774 [0,1,0,1,0,0|2,0,0]=4 309 B13R2.57 c1ccc2c(c1)CCC(C2)CN AB28261 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.57 c1ccc2c(c1)CCC(O2)CN AB60224 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.3203 c1ccc(cc1)OCC2(CC2)N MB09044 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.13 Cc1cccc(n1)C2CCCN2 AB39301 [0,1,0,1,0,0|1,0,0]=3 313 B13R2.13 c1c(cncc1Br)C2CCCC2 MB13754 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.13 c1c(nc(cn1)Br)N2CCCC2 AB50808 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.13 c1c(nc(cn1)Cl)C2CCCC2 MB13892 [0,1,0,1,0,0|1,0,0]=3 316 B13R2.13 c1c(nc(cn1)Cl)N2CCCC2 AB53915 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.13 c1c(ncnc1Br)N2CCCC2 MB14202 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.13 c1c(ncnc1Cl)N2CCCC2 AB50630 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.13 c1cc(cc(c1)Cl)C2CCCN2 AB12044 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.13 c1cc(cc(c1)Cl)C2CCNC2 AB49213 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.13 c1cc(cc(c1)F)C2CCCN2 AB12054 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.13 c1cc(nc(c1)Br)C2CCCC2 MB09493 [0,1,0,1,0,0|0,0,0]=2 323 B13R2.13 c1cc(nc(c1)Br)C2CCCN2 AB72264 [0,1,0,1,0,0|1,0,0]=3 324 B13R2.13 c1cc(nc(c1)Br)C2CCNC2 AB65332 [0,1,0,1,0,0|1,0,0]=3 325 B13R2.13 c1cc(nc(c1)Br)N2CCCC2 AB44221 [0,1,0,1,0,0|1,0,0]=3 326 B13R2.13 c1cc(nc(c1)Cl)C2CCCN2 AB21580 [0,1,0,1,0,0|1,0,0]=3 327 B13R2.13 c1cc(nc(c1)Cl)C2CCNC2 AB71800 [0,1,0,1,0,0|1,0,0]=3 328 B13R2.13 c1cc(nc(c1)F)C2OCCO2 AB72830 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.13 c1cc(nc(c1)F)N2CCCC2 MB08873 [0,1,0,1,0,0|1,0,0]=3 330 B13R2.13 c1cnc(cc1Br)C2CCCN2 AB39374 [0,1,0,1,0,0|1,0,0]=3 331 B13R2.13 c1cnc(cc1Br)C2OCCO2 AB72930 [0,1,0,1,0,0|2,0,0]=4 332 B13R2.13 c1cnc(cc1Br)N2CCCC2 MB10333 [0,1,0,1,0,0|1,0,0]=3 333 B13R2.13 c1cnc(cc1C2CCCC2)Cl MB13752 [0,1,0,1,0,0|2,0,0]=4 334 B13R2.13 c1cnc(cc1Cl)N2CCCC2 MB13818 [0,1,0,1,0,0|1,0,0]=3 335 B13R2.13 c1cnc(nc1Br)N2CCCC2 MB08558 [0,1,0,1,0,0|2,0,0]=4 336 B13R2.13 c1cnc(nc1Cl)N2CCCC2 AB50823 [0,1,0,1,0,0|2,0,0]=4 337 B13R2.13 c1cnc(nc1N2CCCC2)Br MB14078 [0,1,0,1,0,0|2,0,0]=4 338 B13R2.3021 c1cc(nc(c1)Br)NC2CCC2 AB54107 [0,1,0,1,0,0|1,0,0]=3 339 B13R2.5179 Cc1ccc2c(n1)CCCC2=O AB68917 [0,1,0,1,0,0|1,0,1]=4 340 B13R2.5179 c1cc(nc2c1C(=O)CCC2)Cl AB48385 [0,1,0,1,0,0|1,0,1]=4 341 B13R2.5179 c1cc(nc2c1C(=O)CCC2)O AB62940 [0,1,0,1,0,0|1,0,1]=4 342 B13R2.5179 c1cc2c(cc1O)CCCC2N AB43911 [0,1,0,1,0,0|2,0,0]=4 343 B13R2.31 c1ccc(cc1)CN2CC(C2)O PB10180 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.3122 CC1(CCNc2c1cccc2)C MB10115 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.3122 CC1(CNCc2c1cccc2)C MB05480 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.3122 CC1(c2ccccc2CCN1)C AB62583 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.18 c1ccc(c(c1)C2CCCN2)F AB45499 [0,1,0,1,0,0|2,0,0]=4 348 B13R2.18 c1ccc(c(c1)C2CCNC2)Cl AB25453 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.18 c1ccc(c(c1)C2CCNC2)F AB28416 [0,1,0,1,0,0|2,0,0]=4 350 B13R2.18 c1cnc(c(n1)N2CCCC2)Cl MB13987 [0,1,0,1,0,0|2,0,0]=4 351 B13R2.342 CC1CNCc2c1cccc2Cl AB65683 [0,1,0,1,0,0|2,0,0]=4 352 B13R2.342 Cc1cccc2c1CCCC2N AB38427 [0,1,0,1,0,0|2,0,0]=4 353 B13R2.342 Cc1cccc2c1CCC[C@@H]2N AB38429 [0,1,0,1,0,0|2,0,0]=4 354 B13R2.342 Cc1cccc2c1CCC[C@H]2N AB38428 [0,1,0,1,0,0|2,0,0]=4 355 B13R2.342 c1cc2c(c(c1)Br)CCCC2N AB38523 [0,1,0,1,0,0|2,0,0]=4 356 B13R2.342 c1cc2c(c(c1)Br)CCC[C@@H]2N AB38526 [0,1,0,1,0,0|2,0,0]=4 357 B13R2.342 c1cc2c(c(c1)Br)CCC[C@H]2N AB38525 [0,1,0,1,0,0|2,0,0]=4 358 B13R2.342 c1cc2c(c(c1)Cl)CCCC2N AB38490 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.342 c1cc2c(c(c1)Cl)CCC[C@@H]2N AB38494 [0,1,0,1,0,0|2,0,0]=4 360 B13R2.342 c1cc2c(c(c1)Cl)CCC[C@H]2N AB38493 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.342 c1cc2c(c(c1)F)CCCC2N AB38437 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.342 c1cc2c(c(c1)F)CCC[C@@H]2N AB38445 [0,1,0,1,0,0|2,0,0]=4 363 B13R2.342 c1cc2c(c(c1)F)CCC[C@H]2N AB38441 [0,1,0,1,0,0|2,0,0]=4 364 B13R2.3587 c1cc(c(nc1)OCC2CC2)I AB25870 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.12 CNCCc1cccs1 AB18501 [1,0,0,0,1,0|2,0,0]=4 366 B9R1.12 CNCCn1cccn1 AB48422 [1,0,0,0,1,0|2,0,0]=4 367 B9R1.12 c1ccn(c1)CCCBr MB00854 [1,0,0,0,1,0|2,0,0]=4