0 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.17 Cc1ccccc1CCCN AB38679 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.17 Cc1ccncc1CCCN AB67853 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,0,0,0,0,0|3,1,0]=4 5 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,0,0,0,0,0|2,1,0]=3 10 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,0,0,0,0,0|2,1,0]=3 12 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,0,0,0,0,0|3,1,0]=4 14 B10R1.4 CCCc1cncnc1Cl AB55649 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,0,0,0,0,0|2,1,0]=4 16 B10R1.4 CCOc1c(cccn1)I AB05213 [1,0,0,0,0,0|2,1,0]=4 17 B10R1.4 CCOc1ccncc1Br MB01009 [1,0,0,0,0,0|2,1,0]=4 18 B10R1.4 CNCc1c(cccn1)F PB12566 [1,0,0,0,0,0|1,1,0]=3 19 B10R1.4 CNCc1cccnc1Cl AB53845 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.4 CNCc1cnccc1Br AB67968 [1,0,0,0,0,0|1,1,0]=3 21 B10R1.4 CNCc1cnccc1Cl AB67984 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.4 CNCc1cnccc1F AB68060 [1,0,0,0,0,0|1,1,0]=3 23 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.4 Cc1ccccc1CC=O AB11813 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.4 Cc1cccnc1CCN AB31462 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.4 Cc1ccncc1CCN AB55157 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.4 Cc1ccncc1CNC AB67828 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,0,0,0,0,0|1,1,0]=3 30 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,0,0,0,0,0|1,1,0]=3 31 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,0,0,0,0,0|1,1,0]=3 32 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,0,0,0,0,0|2,1,0]=4 33 B10R1.4 c1cc(c(nc1)Cl)CC#N PB13101 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,0,0,0,0,0|0,1,2]=4 36 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,0,0,0,0,0|0,1,2]=4 37 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,0,0,0,0,0|1,1,0]=3 40 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,0,0,0,0,0|1,1,0]=3 42 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,0,0,0,0,0|1,1,0]=3 44 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.4 c1cncc(c1F)CCN AB55177 [1,0,0,0,0,0|1,1,0]=3 46 B10R1.17 CNCCc1cccnc1 AB10676 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.17 CNCCc1ccncc1 AB02055 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 c1cnccc1CCC=O AB49299 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 c1cnccc1CCCN AB43583 [1,0,0,0,0,0|3,0,0]=4 57 B12R1.25 Cc1c(c(ccn1)CCCN)Cl AB83312 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.25 Cc1ccnc(c1Cl)CCCN AB83306 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.25 Cc1cncc(c1Cl)CCCN AB83275 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.25 c1c(c(c(cn1)F)Cl)CCCN AB83153 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.25 c1c(c(c(cn1)O)Cl)CCCN AB84003 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.25 c1cc(c(c(c1)Cl)Cl)CCCN AB38716 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.25 c1cc(c(c(c1)F)F)CCCN AB38719 [0,1,0,0,0,0|2,1,0]=4 64 B12R1.25 c1cnc(c(c1CCCN)Cl)F AB83166 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.25 c1cnc(c(c1CCCN)Cl)N AB83942 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.25 c1cnc(c(c1F)Cl)CCCN AB83011 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.25 c1cnc(c(c1O)Cl)CCCN AB84060 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.69 Cc1cc(c(cn1)CCCN)Cl AB83332 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.69 Cc1cc(c(nc1)CCCN)Cl AB83246 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.69 c1c(c(cnc1F)CCCN)Cl AB83194 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.69 c1c(cnc(c1Cl)CCCN)F AB83124 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.69 c1cc(c(cc1Cl)Cl)CCCN AB38717 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.69 c1cc(c(cc1F)F)CCCN AB38723 [0,1,0,0,0,0|2,1,0]=4 74 B12R1.121 COc1ccccc1CCC=O AB42265 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.121 COc1ccccc1CCCN AB07599 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,1,0,0,0,0|2,1,0]=4 77 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,1,0,0,0,0|2,1,0]=4 80 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.267 CCOCOc1cccnc1Cl AB76594 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.267 CNCCCc1ccccc1Br AB38782 [0,1,0,0,0,0|0,1,0]=2 83 B12R1.267 CNCCCc1ccccc1Cl AB38777 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.267 CNCCCc1ccccc1F AB38765 [0,1,0,0,0,0|0,1,0]=2 85 B12R1.267 Cc1ccccc1CCCNC AB38758 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl AB14424 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,1,0,0,0,0|1,1,1]=4 90 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.374 Cc1cc(c(nc1)Cl)CCCN AB83240 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.374 c1c(cnc(c1CCCN)Cl)F AB83113 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.374 c1cc(c(cc1F)CCCN)F AB38727 [0,1,0,0,0,0|2,1,0]=4 95 B12R1.1631 Cc1c(c(ccn1)Cl)CCCN AB83341 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.1631 Cc1ccnc(c1CCCN)Cl AB83346 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.1631 Cc1cncc(c1CCCN)Cl AB83257 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.1631 c1c(c(c(cn1)Cl)CCCN)F AB83132 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.1631 c1cc(c(c(c1)F)CCCN)F AB38728 [0,1,0,0,0,0|2,1,0]=4 100 B12R1.1631 c1cnc(c(c1Cl)CCCN)F AB83207 [0,1,0,0,0,0|3,0,0]=4 101 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.32 CNc1nc2ccccc2s1 AB01569 [0,0,0,1,0,0|2,0,1]=4 108 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.41 c1ccc2c(c1)CCCCN2 AB05634 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.41 c1ccc2c(c1)CCCNC2 AB49623 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.41 c1ccc2c(c1)CCNCC2 AB16913 [0,0,0,1,0,0|1,0,0]=2 113 B12R2.41 c1ccc2c(c1)CCNCC2 PB31022 [0,0,0,1,0,0|1,0,0]=2 114 B12R2.41 c1ccc2c(c1)CNCCN2 AB30307 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.41 c1ccc2c(c1)COCCN2 AB62713 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.196 Cn1c2cccc(c2cn1)Br PB23714 [0,0,0,1,0,0|1,1,1]=4 121 B12R2.196 Cn1c2cccc(c2cn1)F MB09182 [0,0,0,1,0,0|1,1,1]=4 122 B12R2.196 Cn1c2cccc(c2cn1)I PB34667 [0,0,0,1,0,0|1,1,1]=4 123 B12R2.196 Cn1c2cccc(c2cn1)N PB22298 [0,0,0,1,0,0|2,0,1]=4 124 B12R2.196 Cn1c2cccc(c2cn1)O MB10366 [0,0,0,1,0,0|2,0,1]=4 125 B12R2.196 Cn1ccc2c1cccc2N AB43235 [0,0,0,1,0,0|1,0,2]=4 126 B12R2.196 Cn1ccc2c1nccc2Cl PB20579 [0,0,0,1,0,0|1,0,2]=4 127 B12R2.196 Cn1cnc2c1ccnc2Cl PB12151 [0,0,0,1,0,0|2,0,1]=4 128 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,0,0,1,0,0|2,1,0]=4 129 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,0,0,1,0,0|2,1,0]=4 130 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,0,0,1,0,0|2,1,0]=4 131 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,0,0,1,0,0|2,1,0]=4 132 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,0,0,1,0,0|2,0,0]=3 134 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,0,0,1,0,0|2,0,0]=3 135 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,0,0,1,0,0|2,0,0]=3 136 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,0,0,1,0,0|2,1,0]=4 138 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,0,0,1,0,0|2,1,0]=4 139 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,0,0,1,0,0|2,1,0]=4 140 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,0,0,1,0,0|2,1,0]=4 141 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,0,0,1,0,0|2,1,0]=4 142 B12R2.196 c1cc2c(cnn2N)c(c1)Cl MB14932 [0,0,0,1,0,0|2,0,1]=4 143 B12R2.196 c1cc2c(cnn2O)c(c1)Cl MB69255 [0,0,0,1,0,0|2,0,1]=4 144 B12R2.225 Cc1ccccc1OC2CC2 MB25701 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.225 c1cc(c(nc1)Cl)OC2CC2 MB19980 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.225 c1cc(c(nc1)OC2CC2)Cl MB19962 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.225 c1ccc(c(c1)N)OC2CC2 MB20137 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.225 c1ccc(c(c1)OC2CC2)Br MB25567 [0,0,0,1,0,0|2,1,0]=4 150 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.225 c1ccc(c(c1)OC2CC2)F MB26509 [0,0,0,1,0,0|2,1,0]=4 152 B12R2.225 c1ccc(c(c1)OC2CC2)I MB32394 [0,0,0,1,0,0|2,1,0]=4 153 B12R2.225 c1cncc(c1Cl)OC2CC2 MB29114 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.225 c1cncc(c1OC2CC2)Cl MB19997 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.1081 Cc1c2c(ccn1)CNCC2 AB84983 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.1081 c1[nH]c(=O)c2c(n1)CNCC2 AB49113 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.1081 c1c2c(c(cn1)Br)CCNC2 AB76671 [0,0,0,1,0,0|1,1,0]=3 158 B12R2.1081 c1c2c(c(cn1)Cl)CCNC2 AB84975 [0,0,0,1,0,0|1,0,0]=2 159 B12R2.1081 c1cc2c(c(c1)Br)CCCC2 MB06103 [0,0,0,1,0,0|1,1,0]=3 160 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 PB31290 [0,0,0,1,0,0|2,1,0]=4 161 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 PB22176 [0,0,0,1,0,0|0,1,0]=2 162 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 PB28128 [0,0,0,1,0,0|2,1,0]=4 163 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 MB06321 [0,0,0,1,0,0|2,0,0]=3 164 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 AB45748 [0,0,0,1,0,0|0,0,0]=1 165 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 MB03608 [0,0,0,1,0,0|0,0,0]=1 166 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 AB45195 [0,0,0,1,0,0|2,0,0]=3 167 B12R2.1081 c1cc2c(c(c1)Cl)OCCN2 MB06343 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.1081 c1cc2c(c(c1)N)CCNC2 AB12578 [0,0,0,1,0,0|1,0,0]=2 169 B12R2.1081 c1cnc(c2c1CCCN2)Cl AB64129 [0,0,0,1,0,0|3,0,0]=4 170 B12R2.1081 c1cnc(c2c1CCNC2)Cl AB75339 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.1081 c1cnc(c2c1CNCC2)Cl AB56101 [0,0,0,1,0,0|1,0,0]=2 172 B12R2.1081 c1cnc(c2c1NCCC2)Cl AB64180 [0,0,0,1,0,0|3,0,0]=4 173 B12R2.1081 c1cnc2c(c1Br)CCNC2 AB73915 [0,0,0,1,0,0|1,1,0]=3 174 B12R2.1081 c1cnc2c(c1Cl)CCCN2 AB77458 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.1081 c1cnc2c(c1Cl)CCNC2 AB73916 [0,0,0,1,0,0|1,0,0]=2 176 B12R2.1081 c1cnc2c(c1Cl)CNCC2 AB73925 [0,0,0,1,0,0|3,0,0]=4 177 B12R2.1081 c1cnc2c(c1O)CCNC2 AB73921 [0,0,0,1,0,0|2,0,0]=3 178 B12R2.1081 c1nc2c(c(n1)Cl)CCCC2 AB65892 [0,0,0,1,0,0|3,0,0]=4 179 B12R2.1081 c1nc2c(c(n1)Cl)CCNC2 AB64232 [0,0,0,1,0,0|2,0,0]=3 180 B9R1.8 CNCc1ccccn1 AB10674 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.8 CNCc1cccnc1 AB01384 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.8 CNCc1ccncc1 AB02721 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.8 CNCc1ccnnc1 PB24326 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 CNCc1cnccn1 PB18749 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 CNCc1cncnc1 PB33284 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 CNCc1ncccn1 PB29842 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 c1c(cncn1)CCN AB45406 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.8 c1cc(cnc1)CCN AB04606 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.8 c1cc(cnc1)CNN PB16271 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.8 c1cc(nnc1)CCN AB61130 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.8 c1ccnc(c1)CCN AB00732 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.8 c1ccnc(c1)CNN PB19014 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.8 c1cnc(cn1)CCN AB22666 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.8 c1cnc(nc1)CCN AB55156 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.8 c1cnccc1CCN AB01702 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.8 c1cnccc1CNN PB10342 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.8 c1cncnc1CCN PB14818 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 c1cnncc1CCN AB62610 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.15 CCc1c(cccn1)Br AB68544 [2,0,0,0,0,0|1,1,0]=4 200 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.15 CCc1ccncc1O MB12325 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.15 CCc1cnccc1Br PB37149 [2,0,0,0,0,0|1,1,0]=4 203 B9R1.15 CCc1cnccc1O MB24095 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.15 CCc1cncnc1Cl AB62552 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.15 CNc1c(nccn1)Cl MB13992 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.15 CNc1cccnc1Br AB39252 [2,0,0,0,0,0|1,1,0]=4 207 B9R1.15 CNc1ccncc1O MB27525 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.15 CNc1cnccc1O MB29366 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 CNc1cncnc1Cl AB65907 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.15 COc1c(cccn1)Cl AB13603 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.15 COc1cccnc1Cl AB14749 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.15 COc1ccncc1Cl AB51203 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.15 COc1cnccc1Cl AB66368 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.15 Cc1c(cccn1)CN AB14093 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.15 Cc1cccnc1CN AB20671 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.15 Cc1ccncc1CN PB14440 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.15 Cc1cnccc1CN AB17090 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [2,0,0,0,0,0|1,1,0]=4 219 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [2,0,0,0,0,0|1,1,0]=4 221 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.15 c1cc(c(nc1)CN)F AB55320 [2,0,0,0,0,0|1,1,0]=4 223 B9R1.15 c1cc(c(nc1)CN)F PB13118 [2,0,0,0,0,0|1,1,0]=4 224 B9R1.15 c1cc(c(nc1)CN)N AB48448 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.15 c1cc(c(nc1)CN)O MB01728 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.15 c1cc(c(nc1)F)CN AB23466 [2,0,0,0,0,0|1,1,0]=4 230 B9R1.15 c1ccc(c(c1)CI)O MB07048 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 c1ccc(c(c1)CN)O MB01565 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.15 c1cncc(c1Br)CN AB67954 [2,0,0,0,0,0|1,1,0]=4 234 B9R1.15 c1cncc(c1CCl)Cl AB67608 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.15 c1cncc(c1CN)Br AB63141 [2,0,0,0,0,0|1,1,0]=4 236 B9R1.15 c1cncc(c1CN)Cl AB63139 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.15 c1cncc(c1CN)F AB63136 [2,0,0,0,0,0|1,1,0]=4 238 B9R1.15 c1cncc(c1CN)N AB49287 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.15 c1cncc(c1CN)O MB09249 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.15 c1cncc(c1Cl)CCl AB60091 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.15 c1cncc(c1Cl)CN AB49675 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.15 c1cncc(c1F)CN AB68023 [2,0,0,0,0,0|1,1,0]=4 243 B9R1.15 c1cncc(c1O)CN MB35531 [2,0,0,0,0,0|2,0,0]=4 244 B11R1.13 Cc1c(c(ccn1)CCN)Cl AB83309 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.13 Cc1c(ccnc1Cl)CCN AB83367 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.13 Cc1c(ccnc1F)CCN AB82857 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.13 Cc1c(cncc1Cl)CCN AB83292 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.13 Cc1c(nccc1CCN)C AB82525 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.13 Cc1cncc(c1C)CCN AB82560 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.13 Cc1cncc(c1Cl)CCN AB83272 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.13 Cc1cncc(c1F)CCN AB82944 [1,1,0,0,0,0|1,1,0]=4 256 B11R1.13 c1c(c(c(cn1)Cl)F)CCN AB82977 [1,1,0,0,0,0|1,1,0]=4 257 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.13 c1c(c(c(cn1)F)Cl)CCN AB83150 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.13 c1c(c(c(cn1)O)Cl)CCN AB84001 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.13 c1cnc(c(c1CCN)Cl)F AB83163 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.13 c1cnc(c(c1CCN)Cl)N AB83940 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.13 c1cnc(c(c1CCN)F)Cl AB83223 [1,1,0,0,0,0|1,1,0]=4 263 B11R1.13 c1cnc(c(c1CCN)N)Cl AB83978 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [1,1,0,0,0,0|1,1,0]=4 266 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.41 CCCc1c(cccn1)C#N AB28607 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.41 CCCc1ccccc1NN AB27885 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.41 CNCc1cnccc1OC AB67885 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.41 COc1c(cccn1)CCN AB45444 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.41 COc1ccccc1CNN PB34218 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.41 COc1ccncc1CCN AB45493 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.41 COc1cnccc1CCN AB67567 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.41 c1cncc(c1C#N)CCN AB68138 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.81 Cc1cc(c(cn1)CCN)Cl AB83329 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.81 Cc1cc(c(cn1)CCN)F AB83049 [1,1,0,0,0,0|1,1,0]=4 283 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [1,1,0,0,0,0|1,1,0]=4 286 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.81 Cc1cc(ncc1CCN)C AB82577 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.81 Cc1cc(ncc1CCN)Cl AB83351 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.81 Cc1cc(ncc1CCN)F AB83069 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.81 c1c(c(cnc1F)CCN)Cl AB83191 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.81 c1c(cnc(c1Cl)CCN)F AB83122 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.81 c1c(cnc(c1F)CCN)Cl AB83116 [1,1,0,0,0,0|1,1,0]=4 294 B11R1.81 c1cc(c(cc1Cl)Cl)CNN PB13051 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.81 c1cc(c(cc1F)Cl)CNN PB17475 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.81 c1cc(c(cc1N)Cl)CC#N AB44259 [1,1,0,0,0,0|0,0,2]=4 297 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [1,1,0,0,0,0|0,1,0]=3 298 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [1,1,0,0,0,0|0,0,0]=2 299 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [1,1,0,0,0,0|0,1,0]=3 300 B11R1.86 CN(C)Cc1ccccc1N AB01574 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.86 Cc1ccccc1CC(C)N MB01550 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [1,1,0,0,0,0|0,0,1]=3 303 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.182 CCOc1cc(ccc1N)F AB20299 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.182 Cc1cc(c(cn1)C)CCN AB82532 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.182 Cc1cc(c(nc1)Cl)CCN AB83239 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.182 Cc1cc(c(nc1)F)CCN AB55183 [1,1,0,0,0,0|1,1,0]=4 309 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.182 Cc1cnc(cc1CCN)Cl AB83226 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.182 Cc1cnc(cc1CCN)F AB82871 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.182 c1c(c(cnc1Cl)F)CCN AB83094 [1,1,0,0,0,0|1,1,0]=4 315 B11R1.182 c1c(c(nnc1Cl)Cl)CCN AB72248 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.182 c1c(cnc(c1CCN)Cl)F AB83111 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.182 c1cc(nc(c1F)CCN)Cl AB83105 [1,1,0,0,0,0|1,1,0]=4 318 B11R1.222 CCC(=O)c1ccccc1F MB00205 [1,1,0,0,0,0|0,1,1]=4 319 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.605 Cc1c(c(ccn1)Cl)CCN AB83338 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.605 Cc1c(c(ccn1)F)CCN AB83021 [1,1,0,0,0,0|1,1,0]=4 323 B11R1.605 Cc1ccnc(c1CCN)C AB82522 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.605 Cc1ccnc(c1CCN)Cl AB83345 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.605 Cc1ccnc(c1CCN)F AB83058 [1,1,0,0,0,0|1,1,0]=4 326 B11R1.605 Cc1cncc(c1CCN)C AB76699 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.605 Cc1cncc(c1CCN)Cl AB83254 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.605 Cc1cncc(c1CCN)F AB82916 [1,1,0,0,0,0|1,1,0]=4 329 B11R1.605 c1c(c(c(cn1)Cl)CCN)F AB83129 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.605 c1cnc(c(c1Cl)CCN)F AB83206 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [1,1,0,0,0,0|0,0,0]=2 332 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [1,1,0,0,0,0|0,0,0]=2 333 B11R1.1 CNCCc1ccc(cc1)F AB27731 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.1 CNCCc1ccc(cc1)N AB27726 [1,1,0,0,0,0|0,0,0]=2 335 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|0,0,0]=2 338 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.1 c1cc(ccc1CCCN)F AB38689 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.1 c1cc(ccc1CCCN)F AB66835 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.1 c1cc(ccc1CCCN)N AB51238 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.1 c1cc(ccc1CCCN)O AB07598 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,1,0,0,0,0|0,0,1]=3 350 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [1,1,0,0,0,0|0,0,0]=2 352 B11R1.24 COCOc1cccc(c1)Br AB72137 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.24 Cc1cccc(c1)CCCN AB38680 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.24 Cc1cccc(c1)CCNC AB27735 [1,1,0,0,0,0|0,0,0]=2 356 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.28 CNCCCc1ccccc1 AB10671 [1,1,0,0,0,0|0,0,0]=2 363 B11R1.28 CNCCOc1ccccn1 AB60653 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.28 c1ccc(cc1)NCCCN MB00433 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.40 CC(Cc1ccccc1)CN CB11363 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [1,1,0,0,0,0|2,0,0]=4 376 B13R1.16 CNCCCc1cccc(c1Cl)Cl AB38816 [0,2,0,0,0,0|0,0,0]=2 377 B13R1.16 CNCCCc1cccc(c1F)F AB38824 [0,2,0,0,0,0|0,1,0]=3 378 B13R1.150 c1cc(c(c(c1)Cl)Cl)CCC(=O)O AB30477 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.369 CNCCCc1ccc(cc1Cl)Cl AB38820 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.369 CNCCCc1ccc(cc1F)F AB38825 [0,2,0,0,0,0|0,1,0]=3 381 B13R1.1511 c1cc(c(cc1Cl)Cl)C(CCO)N AB23492 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.84 CNCCCc1ccccc1OC AB38801 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl AB10448 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Cl AB17716 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Cl AB17779 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl AB01662 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Cl AB02989 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl AB07374 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.470 CCOC(=O)Cc1ccccc1Cl AB50422 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.555 c1ccc(c(c1)CNCCCBr)Cl AB65682 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.656 CNCCCc1cc(ccc1F)F AB38826 [0,2,0,0,0,0|0,1,0]=3 392 B13R1.8919 CNCCCc1c(cccc1F)F AB38827 [0,2,0,0,0,0|0,1,0]=3 393 B11R2.10 Cn1cc2ccccc2n1 PB15684 [1,0,0,1,0,0|1,0,1]=4 394 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [1,0,0,1,0,0|1,0,0]=3 396 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [1,0,0,1,0,0|2,0,0]=4 398 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [1,0,0,1,0,0|2,0,0]=4 399 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [1,0,0,1,0,0|2,0,0]=4 400 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,1,0,0|1,0,1]=4 401 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.20 c1cncc2c1CCCN2 AB64133 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.20 c1cncc2c1CCNC2 PB10616 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.20 c1cncc2c1CNCC2 AB48928 [1,0,0,1,0,0|2,0,0]=4 405 B11R2.20 c1cncc2c1NCCC2 AB43638 [1,0,0,1,0,0|2,0,0]=4 406 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [1,0,0,1,0,0|1,0,0]=3 407 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [1,0,0,1,0,0|2,0,0]=4 408 B11R2.106 Cc1c2c(ccn1)CNC2 AB76710 [1,0,0,1,0,0|2,0,0]=4 409 B11R2.106 Cc1cccc2c1CCN2 MB06155 [1,0,0,1,0,0|1,0,0]=3 410 B11R2.106 Cc1cccc2c1CNC2 MB06843 [1,0,0,1,0,0|1,0,0]=3 411 B11R2.106 Cc1cccc2c1NCC2 MB04566 [1,0,0,1,0,0|2,0,0]=4 412 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [1,0,0,1,0,0|1,0,0]=3 413 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [1,0,0,1,0,0|2,0,0]=4 414 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [1,0,0,1,0,0|0,1,0]=3 415 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [1,0,0,1,0,0|0,1,0]=3 416 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [1,0,0,1,0,0|0,0,0]=2 417 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [1,0,0,1,0,0|0,0,0]=2 418 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [1,0,0,1,0,0|0,1,0]=3 419 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [1,0,0,1,0,0|0,1,0]=3 420 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [1,0,0,1,0,0|1,0,0]=3 422 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [1,0,0,1,0,0|2,0,0]=4 423 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [1,0,0,1,0,0|1,0,0]=3 424 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [1,0,0,1,0,0|1,0,0]=3 425 B11R2.106 c1cc2n(c(=O)c1)CCN2 MB08872 [1,0,0,1,0,0|2,0,0]=4 426 B11R2.106 c1cnc(c2c1CNC2)Br AB77508 [1,0,0,1,0,0|1,1,0]=4 427 B11R2.106 c1cnc(c2c1CNC2)Cl AB77507 [1,0,0,1,0,0|1,0,0]=3 428 B11R2.106 c1cnc(c2c1NCC2)Br AB73026 [1,0,0,1,0,0|1,1,0]=4 429 B11R2.106 c1cnc(c2c1NCC2)Cl PB31568 [1,0,0,1,0,0|1,0,0]=3 430 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [1,0,0,1,0,0|1,1,0]=4 431 B11R2.106 c1cnc2c(c1Br)CNC2 AB77102 [1,0,0,1,0,0|1,1,0]=4 432 B11R2.106 c1cnc2c(c1Cl)CNC2 AB74758 [1,0,0,1,0,0|1,0,0]=3 433 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [1,0,0,1,0,0|1,1,0]=4 434 B11R2.106 c1cnc2c(c1N)CNC2 AB77128 [1,0,0,1,0,0|2,0,0]=4 435 B11R2.106 c1nc2c(c(n1)Cl)CCC2 PB34729 [1,0,0,1,0,0|2,0,0]=4 436 B11R2.106 c1nc2c(c(n1)Cl)CNC2 AB68455 [1,0,0,1,0,0|2,0,0]=4 437 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|0,0,0]=2 438 B11R2.1 Cn1c2ccccc2cn1 PB18505 [1,0,0,1,0,0|1,0,1]=4 439 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|2,0,0]=4 440 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [1,0,0,1,0,0|1,0,0]=3 441 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [1,0,0,1,0,0|2,0,0]=4 444 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 AB17123 [0,1,0,1,0,0|1,0,1]=4 445 B13R2.4820 c1cnc(c2c1CNCCC2)Cl AB77488 [0,1,0,1,0,0|1,0,0]=3 446 B13R2.5180 c1cc(c(c2c1C(=O)CC2)Cl)Cl AB70127 [0,1,0,1,0,0|2,0,0]=4 447 B13R2.5180 c1cc(c(c2c1C(CC2)N)Cl)Cl AB38359 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.5180 c1cc(c(c2c1[C@@H](CC2)N)Cl)Cl AB38362 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.5180 c1cc(c(c2c1[C@H](CC2)N)Cl)Cl AB38364 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.5325 Cc1c(cccc1O)CC2CC2 MB31383 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.5325 Cc1cccc(c1Cl)OC2CC2 MB34508 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.5325 Cc1cccc(c1O)CC2CC2 MB23541 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.5325 c1cc(c(c(c1)Br)O)CC2CC2 MB26001 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.5325 c1cc(c(c(c1)Cl)Cl)OC2CC2 MB68980 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.5325 c1cc(c(c(c1)Cl)O)CC2CC2 MB49283 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.5325 c1cc(c(c(c1)F)Cl)OC2CC2 MB63293 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.5325 c1cc(c(c(c1)F)O)CC2CC2 MB33671 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.5325 c1cc(c(c(c1)I)O)CC2CC2 MB37276 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.5325 c1cc(c(c(c1)N)O)CC2CC2 MB26740 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.5325 c1cc(c(c(c1)O)Br)CC2CC2 MB34108 [0,1,0,1,0,0|1,1,0]=4 461 B13R2.5325 c1cc(c(c(c1)O)Cl)CC2CC2 MB26557 [0,1,0,1,0,0|1,0,0]=3 462 B13R2.5325 c1cc(c(c(c1)O)F)CC2CC2 MB25875 [0,1,0,1,0,0|1,1,0]=4 463 B13R2.5325 c1cc(c(c(c1)O)I)CC2CC2 MB31600 [0,1,0,1,0,0|1,1,0]=4 464 B13R2.5325 c1cc(c(c(c1)O)N)CC2CC2 MB28954 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.5325 c1cc(c(c(c1)OC2CC2)Cl)N MB66324 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.155 CN1CCc2ccc(cc2C1)N PB19216 [0,1,0,1,0,0|1,0,0]=3 467 B13R2.328 C1CNCc2c1c(nc(n2)Cl)Cl AB53338 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.328 Cc1nc2c(c(n1)Cl)CCNC2 AB68902 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.328 c1c2c(c(nc1Cl)Cl)CCNC2 AB84984 [0,1,0,1,0,0|1,0,0]=3 470 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Cl)Cl AB44852 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Cl)F AB49514 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.3742 c1c(cc(c2c1C(CC2)N)Cl)Cl AB38367 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.3742 c1c(cc(c2c1[C@@H](CC2)N)Cl)Cl AB38370 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.3742 c1c(cc(c2c1[C@H](CC2)N)Cl)Cl AB38372 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.5400 Cc1cc(ccc1CC2CC2)O MB26693 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.5400 Cc1ccc(c(c1)Cl)OC2CC2 MB31541 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.5400 Cc1ccc(c(c1)O)CC2CC2 MB23523 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.5400 c1cc(c(cc1Br)Cl)OC2CC2 MB68729 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.5400 c1cc(c(cc1Br)O)CC2CC2 MB48463 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.5400 c1cc(c(cc1Cl)Cl)OC2CC2 MB20061 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.5400 c1cc(c(cc1Cl)O)CC2CC2 MB50998 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.5400 c1cc(c(cc1F)Cl)OC2CC2 MB63278 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.5400 c1cc(c(cc1F)O)CC2CC2 MB34925 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.5400 c1cc(c(cc1I)Cl)OC2CC2 MB63447 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.5400 c1cc(c(cc1I)O)CC2CC2 MB37234 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.5400 c1cc(c(cc1N)Cl)OC2CC2 MB66297 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.5400 c1cc(c(cc1N)O)CC2CC2 MB29383 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.5400 c1cc(c(cc1O)Br)CC2CC2 MB26308 [0,1,0,1,0,0|1,1,0]=4 489 B13R2.5400 c1cc(c(cc1O)Cl)CC2CC2 MB31243 [0,1,0,1,0,0|1,0,0]=3 490 B13R2.5400 c1cc(c(cc1O)F)CC2CC2 MB32513 [0,1,0,1,0,0|1,1,0]=4 491 B13R2.5400 c1cc(c(cc1O)I)CC2CC2 MB32586 [0,1,0,1,0,0|1,1,0]=4 492 B13R2.5400 c1cc(c(cc1O)N)CC2CC2 MB29009 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.1 CNCC1=c2ccccc2=NC1 AB12966 [0,1,0,1,0,0|1,0,1]=4 494 B13R2.57 c1ccc2c(c1)CCC(C2)CN AB28261 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.57 c1ccc2c(c1)CCC(O2)CN AB60224 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.67 c1ccc2c(c1)CCCCCN2 AB65827 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.1613 COc1c2c(ccn1)CNCC2 AB68343 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.1613 COc1ccnc2c1CCNC2 AB73919 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.1613 c1cc2c(c(c1)C#N)CCNC2 AB32479 [0,1,0,1,0,0|1,0,0]=3 500 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 AB17098 [0,1,0,1,0,0|1,1,0]=4 501 B13R2.5179 c1cc2c(c(c1)Cl)CCC(=O)C2 AB17118 [0,1,0,1,0,0|1,0,0]=3 502 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 AB17125 [0,1,0,1,0,0|1,1,0]=4 503 B13R2.5179 c1cc2c(c(c1)O)CCC(=O)C2 MB03115 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.18 c1ccc(c(c1)C2CCCN2)F AB45499 [0,1,0,1,0,0|1,1,0]=4 505 B13R2.18 c1ccc(c(c1)C2CCNC2)Cl AB25453 [0,1,0,1,0,0|0,0,0]=2 506 B13R2.18 c1ccc(c(c1)C2CCNC2)F AB28416 [0,1,0,1,0,0|0,1,0]=3 507 B13R2.26 CNCc1nc2ccccc2s1 AB28230 [0,1,0,1,0,0|1,0,1]=4 508 B13R2.342 CC1CNCc2c1cccc2Cl AB65683 [0,1,0,1,0,0|1,0,0]=3 509 B13R2.342 CN1CCOc2c1cnnc2Cl PB18347 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.342 Cc1cccc2c1CCCC2N AB38427 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.342 Cc1cccc2c1CCC[C@@H]2N AB38429 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.342 Cc1cccc2c1CCC[C@H]2N AB38428 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.342 c1c2c(c(cn1)Cl)CCNC2=O AB73841 [0,1,0,1,0,0|1,0,1]=4 514 B13R2.342 c1cc2c(c(c1)Br)CCCC2N AB38523 [0,1,0,1,0,0|1,1,0]=4 515 B13R2.342 c1cc2c(c(c1)Br)CCC[C@@H]2N AB38526 [0,1,0,1,0,0|1,1,0]=4 516 B13R2.342 c1cc2c(c(c1)Br)CCC[C@H]2N AB38525 [0,1,0,1,0,0|1,1,0]=4 517 B13R2.342 c1cc2c(c(c1)Br)CCNC2=O AB64743 [0,1,0,1,0,0|0,1,1]=4 518 B13R2.342 c1cc2c(c(c1)Cl)CCCC2=O AB45800 [0,1,0,1,0,0|1,0,1]=4 519 B13R2.342 c1cc2c(c(c1)Cl)CCCC2N AB38490 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.342 c1cc2c(c(c1)Cl)CCC[C@@H]2N AB38494 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.342 c1cc2c(c(c1)Cl)CCC[C@H]2N AB38493 [0,1,0,1,0,0|1,0,0]=3 522 B13R2.342 c1cc2c(c(c1)Cl)CCNC2=O AB19152 [0,1,0,1,0,0|0,0,1]=3 523 B13R2.342 c1cc2c(c(c1)Cl)NCCC2=O AB06526 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.342 c1cc2c(c(c1)Cl)OCCC2N AB38621 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.342 c1cc2c(c(c1)Cl)OCC[C@@H]2N AB38627 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.342 c1cc2c(c(c1)Cl)OCC[C@H]2N AB38624 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.342 c1cc2c(c(c1)F)CCCC2N AB38437 [0,1,0,1,0,0|1,1,0]=4 528 B13R2.342 c1cc2c(c(c1)F)CCC[C@@H]2N AB38445 [0,1,0,1,0,0|1,1,0]=4 529 B13R2.342 c1cc2c(c(c1)F)CCC[C@H]2N AB38441 [0,1,0,1,0,0|1,1,0]=4 530 B13R2.342 c1cc2c(c(c1)F)CCNC2=O AB19155 [0,1,0,1,0,0|0,1,1]=4 531 B13R2.342 c1cc2c(c(c1)N)CCNC2=O AB53700 [0,1,0,1,0,0|1,0,1]=4 532 B13R2.342 c1cc2c(c(c1)N)CCNC2=O MB05527 [0,1,0,1,0,0|1,0,1]=4 533 B13R2.342 c1cnc(c2c1C(=O)NCC2)Cl AB77225 [0,1,0,1,0,0|1,0,1]=4 534 B13R2.3569 c1ccc(c(c1)C2(CCC2)N)Br AB55055 [0,1,0,1,0,0|1,1,0]=4 535 B13R2.3569 c1ccc(c(c1)C2(CCC2)N)F AB54672 [0,1,0,1,0,0|1,1,0]=4 536 B13R2.4818 c1cc2c(c(c1)Cl)C(=O)CCC2 CB10954 [0,1,0,1,0,0|1,0,1]=4 537 B13R2.4825 CN1c2cccc(c2CC1=O)Br PB19105 [0,1,0,1,0,0|0,1,1]=4 538 B13R2.175 Cc1ccc(c(c1)CC2CC2)O MB23434 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.175 Cc1ccc(c(c1)OC2CC2)Cl MB37541 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.175 Cc1ccc(cc1CC2CC2)O MB23459 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.175 c1cc(c(cc1Br)OC2CC2)Cl MB68617 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.175 c1cc(c(cc1Cl)CC2CC2)O MB26215 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.175 c1cc(c(cc1Cl)OC2CC2)Cl MB68845 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.175 c1cc(c(cc1F)CC2CC2)O MB27254 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.175 c1cc(c(cc1F)OC2CC2)Cl MB63178 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.175 c1cc(c(cc1I)CC2CC2)O MB26530 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.175 c1cc(c(cc1I)OC2CC2)Cl MB63369 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.175 c1cc(c(cc1N)CC2CC2)O MB36205 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.175 c1cc(c(cc1N)OC2CC2)Cl MB66061 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.175 c1cc(c(cc1O)CC2CC2)Br MB31877 [0,1,0,1,0,0|1,1,0]=4 551 B13R2.175 c1cc(c(cc1O)CC2CC2)Cl MB38007 [0,1,0,1,0,0|1,0,0]=3 552 B13R2.175 c1cc(c(cc1O)CC2CC2)I MB33292 [0,1,0,1,0,0|1,1,0]=4 553 B13R2.175 c1cc(c(cc1O)CC2CC2)N MB35226 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.402 Cc1cccc(c1CC2CC2)O MB23488 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.402 Cc1cccc(c1OC2CC2)Cl MB37972 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.402 c1cc(c(c(c1)Br)CC2CC2)O MB32756 [0,1,0,1,0,0|1,1,0]=4 557 B13R2.402 c1cc(c(c(c1)Br)OC2CC2)Cl MB68849 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.402 c1cc(c(c(c1)Cl)OC2CC2)Cl MB68852 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.402 c1cc(c(c(c1)Cl)OC2CC2)F MB63183 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.402 c1cc(c(c(c1)Cl)OC2CC2)N MB66075 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.402 c1cc(c(c(c1)F)CC2CC2)O MB29129 [0,1,0,1,0,0|1,1,0]=4 562 B13R2.402 c1cc(c(c(c1)I)CC2CC2)O MB34178 [0,1,0,1,0,0|1,1,0]=4 563 B13R2.402 c1cc(c(c(c1)I)OC2CC2)Cl MB68847 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.402 c1cc(c(c(c1)O)CC2CC2)N MB35879 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.33 CNCc1cccn1C AB22465 [1,0,0,0,1,0|2,0,0]=4 566 B9R1.12 CNCCc1cccs1 AB18501 [1,0,0,0,1,0|1,0,0]=3 567 B9R1.12 CNCCn1cccn1 AB48422 [1,0,0,0,1,0|2,0,0]=4