0 B10R1.17 BrCC#Cc1ccccc1 1P01FEYM [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 BrCCCc1ccccc1 1P003EL3 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 BrCCCc1ccncc1 1P01A6KW [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 BrCCOc1ccccc1 1P003IB5 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 BrCCOc1cccnc1 1P01AG87 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 BrCCSc1ccccc1 1P003H8K [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 BrCOCc1ccccc1 1P0025GN [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 BrC\C=C\c1ccccc1 1P003PDK [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 C#CCOc1ccccc1 1P003U5X [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 C#CCOc1cccnc1 1P006EAU [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 C#CCOc1ccncc1 1P01GWBP [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 C#CCSc1ccccc1 1P003U5Y [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 C=CCCc1ccccc1 1P003MFS [0,0,0,0,0,0|1,0,1]=2 14 B10R1.17 C=CCCc1ccccn1 1P002M25 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.17 C=CCCc1cccnc1 1P00663U [0,0,0,0,0,0|2,0,1]=3 16 B10R1.17 C=CCNc1ccccc1 1P003T6A [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 C=CCOc1ccccc1 1P00209R [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 C=CCOc1cccnc1 1P00AUI6 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 C=CCSc1ccccc1 1P003O6K [0,0,0,0,0,0|2,0,1]=3 20 B10R1.17 C=COCc1ccccc1 1P003AEJ [0,0,0,0,0,0|2,0,1]=3 21 B10R1.17 C=C\C=C\c1ccccc1 1P003VC6 [0,0,0,0,0,0|1,0,3]=4 22 B10R1.17 C=NOCc1ccccc1 1P027KVW [0,0,0,0,0,0|1,0,2]=3 23 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [0,0,0,0,0,0|2,0,0]=2 27 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [0,0,0,0,0,0|2,0,0]=2 28 B10R1.17 CCCC[n+]1ccccc1 1P007726 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [0,0,0,0,0,0|2,0,0]=2 30 B10R1.17 CCCCc1ccccc1 1P003P2W [0,0,0,0,0,0|1,0,0]=1 31 B10R1.17 CCCCc1ccccn1 1P01FFM0 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.17 CCCCc1cccnc1 1P00343V [0,0,0,0,0,0|2,0,0]=2 33 B10R1.17 CCCCc1ccncc1 1P00I9ZL [0,0,0,0,0,0|2,0,0]=2 34 B10R1.17 CCCNc1ccccc1 1P003TSL [0,0,0,0,0,0|2,0,0]=2 35 B10R1.17 CCCNc1cccnc1 1P019YSP [0,0,0,0,0,0|3,0,0]=3 36 B10R1.17 CCCOc1ccccc1 1P00E98Z [0,0,0,0,0,0|2,0,0]=2 37 B10R1.17 CCCOc1cccnn1 1P005TEB [0,0,0,0,0,0|4,0,0]=4 38 B10R1.17 CCCOc1cnccn1 1P01BJJ1 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.17 CCCSc1ccccn1 1P01EV41 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.17 CCNCc1ccccc1 1P003TGS [0,0,0,0,0,0|2,0,0]=2 41 B10R1.17 CCNCc1ccccn1 1P003SQR [0,0,0,0,0,0|3,0,0]=3 42 B10R1.17 CCNCc1cccnc1 1P003TH6 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.17 CCNCc1ccncc1 1P003KOX [0,0,0,0,0,0|3,0,0]=3 44 B10R1.17 CCSCc1ccccn1 1P007ETZ [0,0,0,0,0,0|3,0,0]=3 45 B10R1.17 CNC=Nc1cccnc1 1P01EKJS [0,0,0,0,0,0|2,0,1]=3 46 B10R1.17 CNCCC1=CCCCC1 1P0283RC [0,0,0,0,0,0|0,0,4]=4 47 B10R1.17 CNCCc1ccccc1 1P003TP4 [0,0,0,0,0,0|0,0,0]=0 48 B10R1.17 CNCCc1ccccc1 1P00CJS7 [0,0,0,0,0,0|0,0,0]=0 49 B10R1.17 CNCCc1ccccn1 1P003OMV [0,0,0,0,0,0|1,0,0]=1 50 B10R1.17 CNCCc1ccccn1 1P003TMX [0,0,0,0,0,0|1,0,0]=1 51 B10R1.17 CNCCc1ccccn1 1P00IAF0 [0,0,0,0,0,0|1,0,0]=1 52 B10R1.17 CNCCc1cccnc1 1P00025V [0,0,0,0,0,0|1,0,0]=1 53 B10R1.17 CNCCc1cccnc1 1P0039D0 [0,0,0,0,0,0|1,0,0]=1 54 B10R1.17 CNCCc1ccncc1 1P0004J6 [0,0,0,0,0,0|1,0,0]=1 55 B10R1.17 CNCCc1ccncc1 1P00D8ZU [0,0,0,0,0,0|1,0,0]=1 56 B10R1.17 CNCCc1cnccn1 1P01A4OO [0,0,0,0,0,0|2,0,0]=2 57 B10R1.17 CNCCc1ncccn1 1P01FKV1 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.17 CNNCc1ccccc1 1P007YMP [0,0,0,0,0,0|1,0,0]=1 59 B10R1.17 CNNCc1ccccc1 1P01EKFO [0,0,0,0,0,0|1,0,0]=1 60 B10R1.17 CNNCc1cccnc1 1P00IGF8 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.17 CNOCc1ccccc1 1P005PAZ [0,0,0,0,0,0|1,0,0]=1 62 B10R1.17 CNOCc1ccccc1 1P01A29U [0,0,0,0,0,0|1,0,0]=1 63 B10R1.17 COCCc1ccccc1 1P003C4E [0,0,0,0,0,0|1,0,0]=1 64 B10R1.17 COCSc1ccccc1 1P0019FA [0,0,0,0,0,0|2,0,0]=2 65 B10R1.17 CONCc1ccccc1 1P006Y6C [0,0,0,0,0,0|2,0,0]=2 66 B10R1.17 CONCc1ccccc1 1P01A5XA [0,0,0,0,0,0|2,0,0]=2 67 B10R1.17 ClCC#Cc1ccccc1 1P003C8O [0,0,0,0,0,0|2,0,2]=4 68 B10R1.17 ClCC=Cc1ccccc1 1P00BCUF [0,0,0,0,0,0|2,0,2]=4 69 B10R1.17 ClCCCc1ccccc1 1P003BI4 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.17 ClCCCc1ccccn1 1P01A6KY [0,0,0,0,0,0|3,0,0]=3 71 B10R1.17 ClCCCc1cccnc1 1P002L24 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.17 ClCCCc1ccncc1 1P00AKXB [0,0,0,0,0,0|3,0,0]=3 73 B10R1.17 ClCCNc1ccccc1 1P01DXCM [0,0,0,0,0,0|3,0,0]=3 74 B10R1.17 ClCCNc1ccccc1 1P0280C1 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.17 ClCCOc1ccccc1 1P00IBGC [0,0,0,0,0,0|3,0,0]=3 76 B10R1.17 ClCCSc1ccccc1 1P003C3J [0,0,0,0,0,0|3,0,0]=3 77 B10R1.17 ClCOCc1ccccc1 1P0034YY [0,0,0,0,0,0|3,0,0]=3 78 B10R1.17 ClCSCc1ccccc1 1P003OKP [0,0,0,0,0,0|3,0,0]=3 79 B10R1.17 ClC\C=C\c1ccccc1 1P002LHG [0,0,0,0,0,0|2,0,2]=4 80 B10R1.17 ICCCc1ccccc1 1P003EWA [0,0,0,0,0,0|2,0,0]=2 81 B10R1.17 ICCOc1ccccc1 1P00C6JI [0,0,0,0,0,0|3,0,0]=3 82 B10R1.17 N#CC#Cc1ccccc1 1P003KC3 [0,0,0,0,0,0|2,0,2]=4 83 B10R1.17 N#CC=Cc1ccccc1 1P00D984 [0,0,0,0,0,0|2,0,2]=4 84 B10R1.17 N#CCCc1ccccc1 1P003KCJ [0,0,0,0,0,0|2,0,0]=2 85 B10R1.17 N#CCCc1ccccn1 1P00C65K [0,0,0,0,0,0|3,0,0]=3 86 B10R1.17 N#CCCc1ccncc1 1P004YZ0 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.17 N#CCNc1ccccc1 1P00I63F [0,0,0,0,0,0|3,0,0]=3 88 B10R1.17 N#CCNc1ccccn1 1P009848 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.17 N#CCOc1ccccc1 1P003U55 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.17 N#CCSc1ccccc1 1P003U6Y [0,0,0,0,0,0|3,0,0]=3 91 B10R1.17 N#CNCc1cccnc1 1P00AY39 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.17 N#CSCc1ccccc1 1P003OLC [0,0,0,0,0,0|3,0,0]=3 93 B10R1.17 N#C\C=C\c1ccccc1 1P002HEA [0,0,0,0,0,0|2,0,2]=4 94 B10R1.17 NCC#Cc1ccccc1 1P003KC2 [0,0,0,0,0,0|2,0,2]=4 95 B10R1.17 NCCCc1ccccc1 1P0029L7 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.17 NCCCc1ccccn1 1P001OQL [0,0,0,0,0,0|3,0,0]=3 97 B10R1.17 NCCCc1ccccn1 1P01DW4S [0,0,0,0,0,0|3,0,0]=3 98 B10R1.17 NCCCc1cccnc1 1P003IJD [0,0,0,0,0,0|3,0,0]=3 99 B10R1.17 NCCCc1cccnc1 1P00G3KB [0,0,0,0,0,0|3,0,0]=3 100 B10R1.17 NCCCc1cccnc1 1P00GW1W [0,0,0,0,0,0|3,0,0]=3 101 B10R1.17 NCCCc1ccncc1 1P0030W7 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.17 NCCCc1ccncn1 1P028A28 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.17 NCCCc1ccnnc1 1P01DZHV [0,0,0,0,0,0|4,0,0]=4 104 B10R1.17 NCCCc1cnccn1 1P01A20P [0,0,0,0,0,0|4,0,0]=4 105 B10R1.17 NCCCc1cncnc1 1P0083W7 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.17 NCCCc1cncnc1 1P01C52M [0,0,0,0,0,0|4,0,0]=4 107 B10R1.17 NCCCc1nccnc1 1P028JZE [0,0,0,0,0,0|4,0,0]=4 108 B10R1.17 NCCNc1ccccc1 1P001X6L [0,0,0,0,0,0|3,0,0]=3 109 B10R1.17 NCCNc1ccccn1 1P005U60 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.17 NCCNc1cccnc1 1P00EEGU [0,0,0,0,0,0|4,0,0]=4 111 B10R1.17 NCCNc1ccncc1 1P00ECDE [0,0,0,0,0,0|4,0,0]=4 112 B10R1.17 NCCOc1ccccc1 1P0021OC [0,0,0,0,0,0|3,0,0]=3 113 B10R1.17 NCCOc1ccccc1 1P0027L1 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.17 NCCOc1ccccn1 1P002YW0 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.17 NCCOc1ccccn1 1P027ZNS [0,0,0,0,0,0|4,0,0]=4 116 B10R1.17 NCCOc1cccnc1 1P0032JP [0,0,0,0,0,0|4,0,0]=4 117 B10R1.17 NCCOc1ccncc1 1P00DK84 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.17 NCCSc1ccccc1 1P002DUS [0,0,0,0,0,0|3,0,0]=3 119 B10R1.17 NCCSc1ccccc1 1P00J3FE [0,0,0,0,0,0|3,0,0]=3 120 B10R1.17 NCCSc1ccccn1 1P00J1LL [0,0,0,0,0,0|4,0,0]=4 121 B10R1.17 NC\C=C\c1ccccc1 1P00DCH4 [0,0,0,0,0,0|2,0,2]=4 122 B10R1.17 NNCCc1ccccc1 1P001OVR [0,0,0,0,0,0|1,0,0]=1 123 B10R1.17 NNCCc1ccccc1 1P00B63Y [0,0,0,0,0,0|1,0,0]=1 124 B10R1.17 NNCCc1ccccc1 1P00DB0J [0,0,0,0,0,0|1,0,0]=1 125 B10R1.17 NNCCc1ccccc1 1P00I9LM [0,0,0,0,0,0|1,0,0]=1 126 B10R1.17 NNCCc1ccccn1 1P006VW3 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.17 NNCCc1ccccn1 1P01A12H [0,0,0,0,0,0|2,0,0]=2 128 B10R1.17 NNCCc1ccncc1 1P01BA79 [0,0,0,0,0,0|2,0,0]=2 129 B10R1.17 NOCCc1ccccc1 1P0071ZN [0,0,0,0,0,0|2,0,0]=2 130 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [0,0,0,0,0,0|3,0,0]=3 131 B10R1.17 O=CC#Cc1ccccc1 1P003U6O [0,0,0,0,0,0|2,0,2]=4 132 B10R1.17 O=CC=Cc1ccccc1 1P00HAPU [0,0,0,0,0,0|2,0,2]=4 133 B10R1.17 O=CCCc1ccccc1 1P003RFA [0,0,0,0,0,0|2,0,0]=2 134 B10R1.17 O=CCCc1ccccn1 1P00BGWO [0,0,0,0,0,0|3,0,0]=3 135 B10R1.17 O=CCCc1cccnc1 1P00228Y [0,0,0,0,0,0|3,0,0]=3 136 B10R1.17 O=CCCc1ccncc1 1P0075XB [0,0,0,0,0,0|3,0,0]=3 137 B10R1.17 O=CCOc1ccccc1 1P007P8S [0,0,0,0,0,0|3,0,0]=3 138 B10R1.17 O=CCOc1ccccn1 1P01C7JG [0,0,0,0,0,0|4,0,0]=4 139 B10R1.17 O=CNCc1ccccc1 1P003T8E [0,0,0,0,0,0|3,0,0]=3 140 B10R1.17 O=CNNc1ccccc1 1P00IBGB [0,0,0,0,0,0|4,0,0]=4 141 B10R1.17 O=COCc1ccccc1 1P008RMC [0,0,0,0,0,0|3,0,0]=3 142 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [0,0,0,0,0,0|2,0,1]=3 143 B10R1.17 O=C\C=C\c1ccccc1 1P001IPM [0,0,0,0,0,0|2,0,2]=4 144 B10R1.17 O=NCNc1cccnc1 1P005VML [0,0,0,0,0,0|3,0,1]=4 145 B10R1.17 OCC#Cc1ccccc1 1P001N1G [0,0,0,0,0,0|2,0,2]=4 146 B10R1.17 OCC=Cc1ccccc1 1P003PDJ [0,0,0,0,0,0|2,0,2]=4 147 B10R1.17 OCCCC1=CCC=CC1 1P00H25B [0,0,0,0,0,0|2,0,2]=4 148 B10R1.17 OCCCc1ccccc1 1P00170B [0,0,0,0,0,0|2,0,0]=2 149 B10R1.17 OCCCc1ccccn1 1P002W8D [0,0,0,0,0,0|3,0,0]=3 150 B10R1.17 OCCCc1ccccn1 1P003II3 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.17 OCCCc1cccnc1 1P002W8E [0,0,0,0,0,0|3,0,0]=3 152 B10R1.17 OCCCc1ccncc1 1P002T2T [0,0,0,0,0,0|3,0,0]=3 153 B10R1.17 OCCCc1ccncn1 1P007B3A [0,0,0,0,0,0|4,0,0]=4 154 B10R1.17 OCCNc1ccccc1 1P00170A [0,0,0,0,0,0|3,0,0]=3 155 B10R1.17 OCCNc1ccccn1 1P00GWAF [0,0,0,0,0,0|4,0,0]=4 156 B10R1.17 OCCNc1ccccn1 1P01F2SN [0,0,0,0,0,0|4,0,0]=4 157 B10R1.17 OCCNc1cccnc1 1P028RNR [0,0,0,0,0,0|4,0,0]=4 158 B10R1.17 OCCNc1ccncc1 1P002G57 [0,0,0,0,0,0|4,0,0]=4 159 B10R1.17 OCCOc1ccccc1 1P0033W0 [0,0,0,0,0,0|3,0,0]=3 160 B10R1.17 OCCOc1cccnc1 1P000QDL [0,0,0,0,0,0|4,0,0]=4 161 B10R1.17 OCCSc1ccccc1 1P003FKS [0,0,0,0,0,0|3,0,0]=3 162 B10R1.17 OCCSc1ccccn1 1P008PC7 [0,0,0,0,0,0|4,0,0]=4 163 B10R1.17 OC\C=C\c1ccccc1 1P0072ZL [0,0,0,0,0,0|2,0,2]=4 164 B10R1.17 OC\C=C\c1ccccc1 1P01GDV5 [0,0,0,0,0,0|2,0,2]=4 165 B10R1.17 ONCCc1ccccc1 1P00CZ3B [0,0,0,0,0,0|1,0,0]=1 166 B10R1.17 S=C=NCc1ccccc1 1P0034Z1 [0,0,0,0,0,0|3,0,0]=3 167 B10R1.17 S=C=NCc1cccnc1 1P0078DV [0,0,0,0,0,0|4,0,0]=4 168 B10R1.17 SCCCc1ccccc1 1P002PQQ [0,0,0,0,0,0|2,0,0]=2 169 B10R1.17 SCCCc1ccncc1 1P00CEFN [0,0,0,0,0,0|3,0,0]=3 170 B10R1.17 SCCOc1ccccc1 1P0037FU [0,0,0,0,0,0|3,0,0]=3 171 B10R1.17 SCCSc1ccccc1 1P00ALQK [0,0,0,0,0,0|3,0,0]=3 172 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [0,0,0,0,0,0|0,0,2]=2 173 B10R1.17 [C-]#[N+]CSc1ccccc1 1P0281A6 [0,0,0,0,0,0|1,0,2]=3 174 B10R1.17 [N-]=[N+]=NCc1ccccc1 1P003OKM [0,0,0,0,0,0|2,0,1]=3 175 B10R1.17 [N-]=[N+]=NCc1ccccn1 1P00EEUA [0,0,0,0,0,0|3,0,1]=4 176 B10R1.17 [N-]=[N+]=NCc1cccnc1 1P00GWBS [0,0,0,0,0,0|3,0,1]=4 177 B10R1.17 [N-]=[N+]=NCc1ccncc1 1P01AHVF [0,0,0,0,0,0|3,0,1]=4 178 B9R1.8 BrC#Cc1ccccc1 1P00GZ49 [1,0,0,0,0,0|1,0,2]=4 179 B9R1.8 BrCCc1ccccc1 1P003EKU [1,0,0,0,0,0|1,0,0]=2 180 B9R1.8 BrCCc1ccccn1 1P0033B6 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.8 BrCCc1cccnc1 1P00CJF9 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.8 BrCCc1ccncc1 1P01BGQT [1,0,0,0,0,0|2,0,0]=3 183 B9R1.8 BrCCc1cnccn1 1P01DYXQ [1,0,0,0,0,0|3,0,0]=4 184 B9R1.8 Br\C=C\c1ccccc1 1P003OMN [1,0,0,0,0,0|1,0,2]=4 185 B9R1.8 C=CCc1ccccc1 1P003O6X [1,0,0,0,0,0|0,0,2]=3 186 B9R1.8 C=CCc1cccnc1 1P005DFA [1,0,0,0,0,0|1,0,2]=4 187 B9R1.8 C=COc1ccccc1 1P005W2F [1,0,0,0,0,0|1,0,2]=4 188 B9R1.8 C=CSc1ccccc1 1P0023XU [1,0,0,0,0,0|1,0,2]=4 189 B9R1.8 CC#Cc1ccccc1 1P000515 [1,0,0,0,0,0|0,0,2]=3 190 B9R1.8 CCC[n+]1ccccc1 1P002N7W [1,0,0,0,0,0|1,0,0]=2 191 B9R1.8 CCCc1ccccc1 1P003UGP [1,0,0,0,0,0|0,0,0]=1 192 B9R1.8 CCCc1ccccn1 1P003IDJ [1,0,0,0,0,0|1,0,0]=2 193 B9R1.8 CCCc1cccnc1 1P00DG48 [1,0,0,0,0,0|1,0,0]=2 194 B9R1.8 CCCc1cccnn1 1P01ANOM [1,0,0,0,0,0|2,0,0]=3 195 B9R1.8 CCCc1ccncc1 1P003MH0 [1,0,0,0,0,0|1,0,0]=2 196 B9R1.8 CCCc1cnccn1 1P003BQC [1,0,0,0,0,0|2,0,0]=3 197 B9R1.8 CCN=c1cccn[nH]1 1P00FI4Q [1,0,0,0,0,0|3,0,0]=4 198 B9R1.8 CCNc1ccccc1 1P0035UD [1,0,0,0,0,0|1,0,0]=2 199 B9R1.8 CCNc1ccccn1 1P003FIU [1,0,0,0,0,0|2,0,0]=3 200 B9R1.8 CCNc1cccnc1 1P00CN8W [1,0,0,0,0,0|2,0,0]=3 201 B9R1.8 CCNc1ccncc1 1P00I7EH [1,0,0,0,0,0|2,0,0]=3 202 B9R1.8 CCNc1ccnnc1 1P01BTY6 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.8 CCNc1cnccn1 1P00F7WN [1,0,0,0,0,0|3,0,0]=4 204 B9R1.8 CCNc1cncnc1 1P01DWEC [1,0,0,0,0,0|3,0,0]=4 205 B9R1.8 CCNc1ncccn1 1P00FGHQ [1,0,0,0,0,0|3,0,0]=4 206 B9R1.8 CCOc1ccccc1 1P003U4U [1,0,0,0,0,0|1,0,0]=2 207 B9R1.8 CCOc1ccccn1 1P001L8A [1,0,0,0,0,0|2,0,0]=3 208 B9R1.8 CCOc1cccnc1 1P00ANFG [1,0,0,0,0,0|2,0,0]=3 209 B9R1.8 CCOc1cccnn1 1P003HNA [1,0,0,0,0,0|3,0,0]=4 210 B9R1.8 CCOc1ccncc1 1P00C0Z1 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.8 CCSc1ccccc1 1P003QX8 [1,0,0,0,0,0|1,0,0]=2 212 B9R1.8 CCSc1ccccn1 1P002EQQ [1,0,0,0,0,0|2,0,0]=3 213 B9R1.8 CNCc1ccccc1 1P0035T0 [1,0,0,0,0,0|0,0,0]=1 214 B9R1.8 CNCc1ccccn1 1P002L6V [1,0,0,0,0,0|1,0,0]=2 215 B9R1.8 CNCc1ccccn1 1P00H9TS [1,0,0,0,0,0|1,0,0]=2 216 B9R1.8 CNCc1cccnc1 1P003IN0 [1,0,0,0,0,0|1,0,0]=2 217 B9R1.8 CNCc1cccnc1 1P00JLQD [1,0,0,0,0,0|1,0,0]=2 218 B9R1.8 CNCc1cccnn1 1P01B717 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.8 CNCc1ccncc1 1P003TOO [1,0,0,0,0,0|1,0,0]=2 220 B9R1.8 CNCc1ccncc1 1P009DU1 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.8 CNCc1ccncn1 1P00J3UF [1,0,0,0,0,0|2,0,0]=3 222 B9R1.8 CNCc1cnccn1 1P0081AR [1,0,0,0,0,0|2,0,0]=3 223 B9R1.8 CNCc1cncnc1 1P00E7RF [1,0,0,0,0,0|2,0,0]=3 224 B9R1.8 CNCc1cncnc1 1P01C5YL [1,0,0,0,0,0|2,0,0]=3 225 B9R1.8 CNCc1ncccn1 1P007VAV [1,0,0,0,0,0|2,0,0]=3 226 B9R1.8 CNCc1ncccn1 1P00ILX1 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.8 CNCc1ncccn1 1P01DIF5 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.8 CNNc1ccccc1 1P00H3DS [1,0,0,0,0,0|1,0,0]=2 229 B9R1.8 COCc1ccccc1 1P003OL0 [1,0,0,0,0,0|1,0,0]=2 230 B9R1.8 COCc1ccccn1 1P002O7L [1,0,0,0,0,0|2,0,0]=3 231 B9R1.8 COCc1ccncc1 1P00FGIA [1,0,0,0,0,0|2,0,0]=3 232 B9R1.8 CSCc1ccccc1 1P003OL2 [1,0,0,0,0,0|1,0,0]=2 233 B9R1.8 CSCc1ccccn1 1P00K0NO [1,0,0,0,0,0|2,0,0]=3 234 B9R1.8 CSCc1cccnc1 1P01DX2J [1,0,0,0,0,0|2,0,0]=3 235 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [1,0,0,0,0,0|0,0,2]=3 236 B9R1.8 C\C=C\c1ccccc1 1P003VFF [1,0,0,0,0,0|0,0,2]=3 237 B9R1.8 C\N=C\c1ccccc1 1P003T8J [1,0,0,0,0,0|0,0,2]=3 238 B9R1.8 ClCCc1ccccc1 1P0032NZ [1,0,0,0,0,0|1,0,0]=2 239 B9R1.8 ClCCc1ccccn1 1P00AQES [1,0,0,0,0,0|2,0,0]=3 240 B9R1.8 ClCCc1ccccn1 1P00CB7K [1,0,0,0,0,0|2,0,0]=3 241 B9R1.8 ClCCc1cccnc1 1P00CLVG [1,0,0,0,0,0|2,0,0]=3 242 B9R1.8 ClCCc1ccncc1 1P00G7HW [1,0,0,0,0,0|2,0,0]=3 243 B9R1.8 ClCSc1ccccc1 1P003PAU [1,0,0,0,0,0|2,0,0]=3 244 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [1,0,0,0,0,0|1,1,0]=3 245 B9R1.8 IC#Cc1ccccc1 1P006HO6 [1,0,0,0,0,0|1,0,2]=4 246 B9R1.8 ICCc1ccccc1 1P001ZMC [1,0,0,0,0,0|1,0,0]=2 247 B9R1.8 ICCc1cccnc1 1P01APKH [1,0,0,0,0,0|2,0,0]=3 248 B9R1.8 N#CC[n+]1ccccc1 1P003SUV [1,0,0,0,0,0|1,0,2]=4 249 B9R1.8 N#CC[n+]1ccccc1 1P01EYAJ [1,0,0,0,0,0|1,0,2]=4 250 B9R1.8 N#CCc1ccccn1 1P0033WF [1,0,0,0,0,0|1,0,2]=4 251 B9R1.8 N#CCc1cccnc1 1P003FL3 [1,0,0,0,0,0|1,0,2]=4 252 B9R1.8 N#CCc1ccncc1 1P000W7U [1,0,0,0,0,0|1,0,2]=4 253 B9R1.8 N#CCc1ccncc1 1P003MHC [1,0,0,0,0,0|1,0,2]=4 254 B9R1.8 N#CNc1ccccc1 1P00F3HT [1,0,0,0,0,0|1,0,2]=4 255 B9R1.8 N#COc1ccccc1 1P003U5M [1,0,0,0,0,0|1,0,2]=4 256 B9R1.8 N#CSc1ccccc1 1P00E15Y [1,0,0,0,0,0|1,0,2]=4 257 B9R1.8 NCCc1ccccc1 1P001OVX [1,0,0,0,0,0|0,0,0]=1 258 B9R1.8 NCCc1ccccc1 1P00AL3F [1,0,0,0,0,0|0,0,0]=1 259 B9R1.8 NCCc1ccccn1 1P0033BC [1,0,0,0,0,0|1,0,0]=2 260 B9R1.8 NCCc1cccnc1 1P0031LS [1,0,0,0,0,0|1,0,0]=2 261 B9R1.8 NCCc1cccnc1 1P007RI3 [1,0,0,0,0,0|1,0,0]=2 262 B9R1.8 NCCc1cccnc1 1P00G4HF [1,0,0,0,0,0|1,0,0]=2 263 B9R1.8 NCCc1ccncc1 1P0011CE [1,0,0,0,0,0|1,0,0]=2 264 B9R1.8 NCCc1ccncc1 1P00EB7D [1,0,0,0,0,0|1,0,0]=2 265 B9R1.8 NCCc1ccncn1 1P00G8NQ [1,0,0,0,0,0|2,0,0]=3 266 B9R1.8 NCCc1ccnnc1 1P01FJWH [1,0,0,0,0,0|2,0,0]=3 267 B9R1.8 NCCc1cnccn1 1P00D8UG [1,0,0,0,0,0|2,0,0]=3 268 B9R1.8 NCCc1cnccn1 1P00HZ0H [1,0,0,0,0,0|2,0,0]=3 269 B9R1.8 NCCc1cncnc1 1P00G7HI [1,0,0,0,0,0|2,0,0]=3 270 B9R1.8 NCCc1cncnc1 1P01B7EM [1,0,0,0,0,0|2,0,0]=3 271 B9R1.8 NCCc1ncccn1 1P00IKQC [1,0,0,0,0,0|2,0,0]=3 272 B9R1.8 NNCc1ccccc1 1P002AS6 [1,0,0,0,0,0|1,0,0]=2 273 B9R1.8 NNCc1ccccc1 1P003OLM [1,0,0,0,0,0|1,0,0]=2 274 B9R1.8 NNCc1ccccc1 1P00VUSV [1,0,0,0,0,0|1,0,0]=2 275 B9R1.8 NNCc1ccccn1 1P00BJY5 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.8 NNCc1ccccn1 1P00IG9V [1,0,0,0,0,0|2,0,0]=3 277 B9R1.8 NNCc1cccnc1 1P0033XM [1,0,0,0,0,0|2,0,0]=3 278 B9R1.8 NNCc1cccnc1 1P00EM3P [1,0,0,0,0,0|2,0,0]=3 279 B9R1.8 NNCc1cccnc1 1P00FT0X [1,0,0,0,0,0|2,0,0]=3 280 B9R1.8 NNCc1ccncc1 1P00GVVL [1,0,0,0,0,0|2,0,0]=3 281 B9R1.8 NNCc1cnccn1 1P0080ZM [1,0,0,0,0,0|3,0,0]=4 282 B9R1.8 NNCc1cnccn1 1P00H0K1 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.8 NNCc1cncnc1 1P00HX2E [1,0,0,0,0,0|3,0,0]=4 284 B9R1.8 NOCc1ccccc1 1P0035W0 [1,0,0,0,0,0|1,0,0]=2 285 B9R1.8 NOCc1ccccc1 1P003TWF [1,0,0,0,0,0|1,0,0]=2 286 B9R1.8 NOCc1ccccn1 1P01C2PM [1,0,0,0,0,0|2,0,0]=3 287 B9R1.8 NOCc1cccnc1 1P00I7X0 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [1,0,0,0,0,0|1,0,1]=3 289 B9R1.8 O=CCc1ccccc1 1P00170M [1,0,0,0,0,0|1,0,1]=3 290 B9R1.8 O=CNc1ccccc1 1P003R5D [1,0,0,0,0,0|2,0,1]=4 291 B9R1.8 O=COc1ccccc1 1P0035XN [1,0,0,0,0,0|2,0,1]=4 292 B9R1.8 O=S=Nc1ccccc1 1P003TUI [1,0,0,0,0,0|3,0,0]=4 293 B9R1.8 OCCc1ccccc1 1P0033W3 [1,0,0,0,0,0|1,0,0]=2 294 B9R1.8 OCCc1ccccn1 1P0038HY [1,0,0,0,0,0|2,0,0]=3 295 B9R1.8 OCCc1cccnc1 1P003FB1 [1,0,0,0,0,0|2,0,0]=3 296 B9R1.8 OCCc1ccncc1 1P003FL5 [1,0,0,0,0,0|2,0,0]=3 297 B9R1.8 OCCc1ccncc1 1P00CHZZ [1,0,0,0,0,0|2,0,0]=3 298 B9R1.8 OCCc1ccncn1 1P005N7W [1,0,0,0,0,0|3,0,0]=4 299 B9R1.8 OCCc1cnccn1 1P003F8L [1,0,0,0,0,0|3,0,0]=4 300 B9R1.8 OCCc1cncnc1 1P008CL3 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.8 OCCc1ncccn1 1P000AX7 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.8 ONCc1ccccc1 1P002ZBQ [1,0,0,0,0,0|1,0,0]=2 303 B9R1.8 ONCc1ccccc1 1P003920 [1,0,0,0,0,0|1,0,0]=2 304 B9R1.8 O\N=C/c1ccccc1 1P00EASV [1,0,0,0,0,0|1,0,2]=4 305 B9R1.8 O\N=C\c1ccccc1 1P003OH6 [1,0,0,0,0,0|1,0,2]=4 306 B9R1.8 S=C=Nc1ccccc1 1P003RMC [1,0,0,0,0,0|2,0,1]=4 307 B9R1.8 SCCc1ccccc1 1P00DCX2 [1,0,0,0,0,0|1,0,0]=2 308 B9R1.8 SCCc1ccccn1 1P0029Y7 [1,0,0,0,0,0|2,0,0]=3 309 B9R1.8 SCCc1ccncc1 1P003MH7 [1,0,0,0,0,0|2,0,0]=3 310 B9R1.8 SCCc1cnccn1 1P003C4B [1,0,0,0,0,0|3,0,0]=4 311 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [1,0,0,0,0,0|0,0,2]=3 312 B9R1.8 [C-]#[N+]Cc1cccnc1 1P00EAA0 [1,0,0,0,0,0|1,0,2]=4 313 B9R1.8 [C-]#[N+]Cc1ccncc1 1P00EBP6 [1,0,0,0,0,0|1,0,2]=4 314 B9R1.8 [CH2-]\C=C\c1ccccc1 1P0035WW [1,0,0,0,0,0|0,0,3]=4 315 B9R1.8 [Cu]C#Cc1ccccc1 1P000WOP [1,0,0,0,0,0|1,0,2]=4 316 B9R1.8 [N-]=[N+]=Cc1ccccc1 1P008PXQ [1,0,0,0,0,0|1,0,2]=4 317 B9R1.8 [N-]=[N+]=Nc1ccccc1 1P003OEN [1,0,0,0,0,0|2,0,1]=4 318 B11R1.1 BrCCCc1ccc(cc1)Br 1P01BLCU [0,1,0,0,0,0|2,0,0]=3 319 B11R1.1 BrCCCc1ccc(cc1)C 1P01A6EG [0,1,0,0,0,0|2,0,0]=3 320 B11R1.1 BrCCCc1ccc(cc1)Cl 1P0037IZ [0,1,0,0,0,0|2,0,0]=3 321 B11R1.1 BrCCCc1ccc(cc1)F 1P002ORA [0,1,0,0,0,0|2,0,0]=3 322 B11R1.1 BrCCCc1ccc(cc1)I 1P01BLFM [0,1,0,0,0,0|2,0,0]=3 323 B11R1.1 BrCCCc1ccc(cc1)O 1P006VWS [0,1,0,0,0,0|2,0,0]=3 324 B11R1.1 BrCCCc1ccc(nc1)Br 1P01H27Q [0,1,0,0,0,0|3,0,0]=4 325 B11R1.1 BrCCOc1ccc(cc1)Br 1P002H45 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.1 BrCCOc1ccc(cc1)C 1P002H42 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.1 BrCCOc1ccc(cc1)Cl 1P00299J [0,1,0,0,0,0|3,0,0]=4 328 B11R1.1 BrCCOc1ccc(cc1)F 1P00BYOR [0,1,0,0,0,0|3,0,0]=4 329 B11R1.1 BrCCOc1ccc(cc1)O 1P00C1AZ [0,1,0,0,0,0|3,0,0]=4 330 B11R1.1 BrCCSc1ccc(cc1)Cl 1P01A83Q [0,1,0,0,0,0|3,0,0]=4 331 B11R1.1 BrCCSc1ccc(cc1)F 1P01B5O3 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.1 Brc1ccc(cc1)CN=[N+]=[N-] 1P007BT3 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.1 C#CCCc1ccc(cc1)O 1P020MQB [0,1,0,0,0,0|1,0,1]=3 334 B11R1.1 C#CCNc1ccc(cc1)C 1P00D9TU [0,1,0,0,0,0|2,0,1]=4 335 B11R1.1 C#CCNc1ccc(cc1)C 1P01DWPM [0,1,0,0,0,0|2,0,1]=4 336 B11R1.1 C#CCNc1ccc(cc1)Cl 1P01DXMT [0,1,0,0,0,0|2,0,1]=4 337 B11R1.1 C#CCNc1ccc(cc1)Cl 1P01FI1S [0,1,0,0,0,0|2,0,1]=4 338 B11R1.1 C#CCNc1ccc(cc1)F 1P01FI1R [0,1,0,0,0,0|2,0,1]=4 339 B11R1.1 C#CCOc1ccc(cc1)Br 1P01A36E [0,1,0,0,0,0|2,0,1]=4 340 B11R1.1 C#CCOc1ccc(cc1)C 1P00F02O [0,1,0,0,0,0|2,0,1]=4 341 B11R1.1 C#CCOc1ccc(cc1)Cl 1P007SC0 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.1 C#CCOc1ccc(cc1)F 1P000N3I [0,1,0,0,0,0|2,0,1]=4 343 B11R1.1 C#CCOc1ccc(cc1)I 1P01HL0M [0,1,0,0,0,0|2,0,1]=4 344 B11R1.1 C#CCOc1ccc(cc1)N 1P002U5X [0,1,0,0,0,0|2,0,1]=4 345 B11R1.1 C#CCOc1ccc(cc1)N 1P00J2TA [0,1,0,0,0,0|2,0,1]=4 346 B11R1.1 C=CCCc1ccc(cc1)Br 1P00AE9C [0,1,0,0,0,0|1,0,1]=3 347 B11R1.1 C=CCCc1ccc(cc1)O 1P00HUVT [0,1,0,0,0,0|1,0,1]=3 348 B11R1.1 C=CCOc1ccc(cc1)Br 1P007OCA [0,1,0,0,0,0|2,0,1]=4 349 B11R1.1 C=CCOc1ccc(cc1)C 1P002NOX [0,1,0,0,0,0|2,0,1]=4 350 B11R1.1 C=CCOc1ccc(cc1)Cl 1P001CD1 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.1 C=CCOc1ccc(cc1)F 1P01BUMT [0,1,0,0,0,0|2,0,1]=4 352 B11R1.1 C=CCOc1ccc(cc1)I 1P001CD0 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.1 C=CCOc1ccc(cc1)N 1P001YRV [0,1,0,0,0,0|2,0,1]=4 354 B11R1.1 C=CCOc1ccc(cc1)O 1P00ED1G [0,1,0,0,0,0|2,0,1]=4 355 B11R1.1 CC#CSc1ccc(cc1)Br 1P01B242 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.1 CCCC[n+]1ccc(cc1)C 1P0035TW [0,1,0,0,0,0|2,0,0]=3 357 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003EN8 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003EN9 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003TBQ [0,1,0,0,0,0|2,0,0]=3 360 B11R1.1 CCCCc1ccc(cc1)Br 1P00336L [0,1,0,0,0,0|1,0,0]=2 361 B11R1.1 CCCCc1ccc(cc1)Cl 1P001NZO [0,1,0,0,0,0|1,0,0]=2 362 B11R1.1 CCCCc1ccc(cc1)I 1P002IZU [0,1,0,0,0,0|1,0,0]=2 363 B11R1.1 CCCCc1ccc(cc1)N 1P003LI3 [0,1,0,0,0,0|1,0,0]=2 364 B11R1.1 CCCCc1ccc(cc1)O 1P001UUX [0,1,0,0,0,0|1,0,0]=2 365 B11R1.1 CCCCc1ccc(cc1)S 1P00DDOD [0,1,0,0,0,0|1,0,0]=2 366 B11R1.1 CCCCc1ccc(nn1)N 1P01K0F1 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.1 CCCCc1cnc(nc1)N 1P00D4EW [0,1,0,0,0,0|3,0,0]=4 368 B11R1.1 CCCCc1ncc(cn1)N 1P027YA5 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.1 CCCNc1ccc(cc1)Cl 1P01AE4M [0,1,0,0,0,0|2,0,0]=3 370 B11R1.1 CCCNc1ccc(cc1)Cl 1P01AHRO [0,1,0,0,0,0|2,0,0]=3 371 B11R1.1 CCCNc1ccc(nc1)N 1P028BFM [0,1,0,0,0,0|3,0,0]=4 372 B11R1.1 CCCOc1ccc(cc1)Br 1P003ELU [0,1,0,0,0,0|2,0,0]=3 373 B11R1.1 CCCOc1ccc(cc1)I 1P005SUU [0,1,0,0,0,0|2,0,0]=3 374 B11R1.1 CCCOc1ccc(cc1)N 1P003MGN [0,1,0,0,0,0|2,0,0]=3 375 B11R1.1 CCCOc1ccc(cc1)O 1P002EF3 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.1 CCCOc1ccc(cn1)Br 1P003MYM [0,1,0,0,0,0|3,0,0]=4 377 B11R1.1 CCCOc1ccc(nc1)Br 1P00HDC0 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.1 CCCOc1ccc(nc1)N 1P005JSB [0,1,0,0,0,0|3,0,0]=4 379 B11R1.1 CCCSc1ccc(cc1)Br 1P008QGI [0,1,0,0,0,0|2,0,0]=3 380 B11R1.1 CCCSc1ccc(cc1)O 1P002EFO [0,1,0,0,0,0|2,0,0]=3 381 B11R1.1 CCNCc1ccc(cc1)Br 1P003TGJ [0,1,0,0,0,0|2,0,0]=3 382 B11R1.1 CCNCc1ccc(cc1)Br 1P00J2CJ [0,1,0,0,0,0|2,0,0]=3 383 B11R1.1 CCNCc1ccc(cc1)C 1P00CJ9L [0,1,0,0,0,0|2,0,0]=3 384 B11R1.1 CCNCc1ccc(cc1)Cl 1P0007GX [0,1,0,0,0,0|2,0,0]=3 385 B11R1.1 CCNCc1ccc(cc1)Cl 1P003TGL [0,1,0,0,0,0|2,0,0]=3 386 B11R1.1 CCNCc1ccc(cc1)F 1P001TJ2 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.1 CCNCc1ccc(cc1)F 1P0094SB [0,1,0,0,0,0|2,0,0]=3 388 B11R1.1 CCNCc1ccc(cc1)N 1P0006EC [0,1,0,0,0,0|2,0,0]=3 389 B11R1.1 CCNCc1ccc(cc1)O 1P003L1C [0,1,0,0,0,0|2,0,0]=3 390 B11R1.1 CCNCc1ccc(cc1)O 1P01A8XI [0,1,0,0,0,0|2,0,0]=3 391 B11R1.1 CCOCc1ccc(cc1)Br 1P00IJ6E [0,1,0,0,0,0|2,0,0]=3 392 B11R1.1 CCOCc1ccc(cc1)C 1P01HZM1 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.1 CCOCc1ccc(cc1)N 1P019TIW [0,1,0,0,0,0|2,0,0]=3 394 B11R1.1 CCOCc1ccc(cc1)O 1P00EH9G [0,1,0,0,0,0|2,0,0]=3 395 B11R1.1 CCOCc1ccc(nc1)Cl 1P00H1XH [0,1,0,0,0,0|3,0,0]=4 396 B11R1.1 CCSCc1ccc(cc1)N 1P01C1X8 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.1 CC\N=C\c1ccc(cc1)C 1P01EUVJ [0,1,0,0,0,0|2,0,1]=4 398 B11R1.1 CN=NNc1ccc(cc1)C 1P002LP4 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.1 CNCCc1ccc(cc1)Br 1P005GJI [0,1,0,0,0,0|0,0,0]=1 400 B11R1.1 CNCCc1ccc(cc1)C 1P002M61 [0,1,0,0,0,0|0,0,0]=1 401 B11R1.1 CNCCc1ccc(cc1)C 1P0281GG [0,1,0,0,0,0|0,0,0]=1 402 B11R1.1 CNCCc1ccc(cc1)Cl 1P003TNH [0,1,0,0,0,0|0,0,0]=1 403 B11R1.1 CNCCc1ccc(cc1)F 1P00DGHB [0,1,0,0,0,0|0,0,0]=1 404 B11R1.1 CNCCc1ccc(cc1)F 1P01EJKN [0,1,0,0,0,0|0,0,0]=1 405 B11R1.1 CNCCc1ccc(cc1)N 1P007J2S [0,1,0,0,0,0|0,0,0]=1 406 B11R1.1 CNCCc1ccc(cc1)O 1P000V5Z [0,1,0,0,0,0|0,0,0]=1 407 B11R1.1 CNCCc1ccc(cc1)O 1P00BY6Y [0,1,0,0,0,0|0,0,0]=1 408 B11R1.1 CNCCc1ncc(cn1)Br 1P01FJ58 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.1 COC=Cc1ccc(cc1)Br 1P028STB [0,1,0,0,0,0|1,0,2]=4 410 B11R1.1 COCCc1ccc(cc1)Br 1P00EL62 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.1 COCCc1ccc(cc1)Cl 1P01C44H [0,1,0,0,0,0|1,0,0]=2 412 B11R1.1 COCCc1ccc(cc1)N 1P004NWE [0,1,0,0,0,0|1,0,0]=2 413 B11R1.1 COCCc1ccc(cc1)O 1P00349D [0,1,0,0,0,0|1,0,0]=2 414 B11R1.1 COCOc1ccc(cc1)Br 1P003EL7 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.1 COCOc1ccc(cc1)N 1P004LV4 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.1 COCOc1ccc(nc1)Br 1P0046V6 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.1 COCOc1ccc(nc1)Cl 1P00IF75 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.1 COCOc1ccc(nc1)F 1P021QT9 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.1 CONCc1ccc(cc1)Cl 1P01ALLH [0,1,0,0,0,0|2,0,0]=3 420 B11R1.1 CSCCc1ccc(cc1)N 1P01AAJ2 [0,1,0,0,0,0|1,0,0]=2 421 B11R1.1 Cc1ccc(cc1)CN=[N+]=[N-] 1P007CZB [0,1,0,0,0,0|2,0,1]=4 422 B11R1.1 ClCCCc1ccc(cc1)Br 1P0036ZE [0,1,0,0,0,0|2,0,0]=3 423 B11R1.1 ClCCCc1ccc(cc1)Cl 1P00EDKT [0,1,0,0,0,0|2,0,0]=3 424 B11R1.1 ClCCOc1ccc(cc1)Cl 1P000UDE [0,1,0,0,0,0|3,0,0]=4 425 B11R1.1 ClCCOc1ccc(cc1)F 1P01DJ6Y [0,1,0,0,0,0|3,0,0]=4 426 B11R1.1 ClCCSc1ccc(cc1)Br 1P01AIUQ [0,1,0,0,0,0|3,0,0]=4 427 B11R1.1 ClCCSc1ccc(cc1)C 1P002JMR [0,1,0,0,0,0|3,0,0]=4 428 B11R1.1 ClCCSc1ccc(cc1)Cl 1P007K5K [0,1,0,0,0,0|3,0,0]=4 429 B11R1.1 ClCCSc1ccc(cc1)F 1P00DQT6 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.1 ClCSCc1ccc(cc1)Cl 1P01ACWD [0,1,0,0,0,0|3,0,0]=4 431 B11R1.1 Clc1ccc(cc1)CN=[N+]=[N-] 1P00BJVM [0,1,0,0,0,0|2,0,1]=4 432 B11R1.1 FCCOc1ccc(cc1)Br 1P00C1FN [0,1,0,0,0,0|3,0,0]=4 433 B11R1.1 FCCOc1ccc(cc1)N 1P01CAV0 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.1 FCCOc1ccc(cc1)O 1P01H4HE [0,1,0,0,0,0|3,0,0]=4 435 B11R1.1 Fc1ccc(cc1)CN=[N+]=[N-] 1P00ASVD [0,1,0,0,0,0|2,0,1]=4 436 B11R1.1 ICCCc1ccc(cc1)F 1P0077E5 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.1 N#CCCc1ccc(cc1)Br 1P00EAIK [0,1,0,0,0,0|2,0,0]=3 438 B11R1.1 N#CCCc1ccc(cc1)Cl 1P00BY90 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.1 N#CCCc1ccc(cc1)F 1P00BIJZ [0,1,0,0,0,0|2,0,0]=3 440 B11R1.1 N#CCCc1ccc(cc1)N 1P01C0OF [0,1,0,0,0,0|2,0,0]=3 441 B11R1.1 N#CCCc1ccc(cc1)N 1P028DQU [0,1,0,0,0,0|2,0,0]=3 442 B11R1.1 N#CCCc1ccc(cc1)O 1P001ZJL [0,1,0,0,0,0|2,0,0]=3 443 B11R1.1 N#CCCc1ccc(nc1)Cl 1P028Z9C [0,1,0,0,0,0|3,0,0]=4 444 B11R1.1 N#CCNc1ccc(cc1)Br 1P01DWRG [0,1,0,0,0,0|3,0,0]=4 445 B11R1.1 N#CCNc1ccc(cc1)F 1P005C5O [0,1,0,0,0,0|3,0,0]=4 446 B11R1.1 N#CCOc1ccc(cc1)Br 1P00BZI3 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.1 N#CCOc1ccc(cc1)C 1P00BYZ4 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.1 N#CCOc1ccc(cc1)Cl 1P003BIY [0,1,0,0,0,0|3,0,0]=4 449 B11R1.1 N#CCOc1ccc(cc1)F 1P007OOT [0,1,0,0,0,0|3,0,0]=4 450 B11R1.1 N#CCOc1ccc(cc1)I 1P01BGQE [0,1,0,0,0,0|3,0,0]=4 451 B11R1.1 N#CCOc1ccc(cc1)N 1P00AU6W [0,1,0,0,0,0|3,0,0]=4 452 B11R1.1 N#CCSc1ccc(cc1)Cl 1P003CC3 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.1 N#CCSc1ccc(cc1)F 1P003CCL [0,1,0,0,0,0|3,0,0]=4 454 B11R1.1 N#CNCc1ccc(cc1)F 1P00HIQ3 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.1 NC1=CC=C(C=C1)CCCN 1P01G057 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.1 NCCCc1ccc(cc1)Br 1P00FHQ2 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.1 NCCCc1ccc(cc1)Br 1P0284CP [0,1,0,0,0,0|2,0,0]=3 458 B11R1.1 NCCCc1ccc(cc1)C 1P00DDD0 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.1 NCCCc1ccc(cc1)C 1P028H08 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.1 NCCCc1ccc(cc1)Cl 1P0038D9 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.1 NCCCc1ccc(cc1)Cl 1P01A8XK [0,1,0,0,0,0|2,0,0]=3 462 B11R1.1 NCCCc1ccc(cc1)F 1P00052B [0,1,0,0,0,0|2,0,0]=3 463 B11R1.1 NCCCc1ccc(cc1)F 1P01DP7M [0,1,0,0,0,0|2,0,0]=3 464 B11R1.1 NCCCc1ccc(cc1)I 1P027W38 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.1 NCCCc1ccc(cc1)O 1P00VTXU [0,1,0,0,0,0|2,0,0]=3 466 B11R1.1 NCCCc1ccc(nc1)C 1P00HB7W [0,1,0,0,0,0|3,0,0]=4 467 B11R1.1 NCCCc1ccc(nc1)Cl 1P028Z8B [0,1,0,0,0,0|3,0,0]=4 468 B11R1.1 NCCNc1ccc(cc1)Br 1P01JM37 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.1 NCCNc1ccc(cc1)C 1P01GDZV [0,1,0,0,0,0|3,0,0]=4 470 B11R1.1 NCCNc1ccc(cc1)F 1P00DKA9 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.1 NCCNc1ccc(cc1)O 1P028PSC [0,1,0,0,0,0|3,0,0]=4 472 B11R1.1 NCCOc1ccc(cc1)Br 1P002U8G [0,1,0,0,0,0|3,0,0]=4 473 B11R1.1 NCCOc1ccc(cc1)Br 1P00FM0T [0,1,0,0,0,0|3,0,0]=4 474 B11R1.1 NCCOc1ccc(cc1)C 1P002U8F [0,1,0,0,0,0|3,0,0]=4 475 B11R1.1 NCCOc1ccc(cc1)C 1P01DX6C [0,1,0,0,0,0|3,0,0]=4 476 B11R1.1 NCCOc1ccc(cc1)Cl 1P00J2CR [0,1,0,0,0,0|3,0,0]=4 477 B11R1.1 NCCOc1ccc(cc1)F 1P002TA9 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.1 NCCOc1ccc(cc1)F 1P003FCT [0,1,0,0,0,0|3,0,0]=4 479 B11R1.1 NCCOc1ccc(cc1)F 1P00J1XR [0,1,0,0,0,0|3,0,0]=4 480 B11R1.1 NCCOc1ccc(cc1)I 1P00AO0N [0,1,0,0,0,0|3,0,0]=4 481 B11R1.1 NCCOc1ccc(cc1)N 1P00FJM4 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.1 NCCOc1ccc(cc1)N 1P00HVID [0,1,0,0,0,0|3,0,0]=4 483 B11R1.1 NCCOc1ccc(cc1)O 1P006XS8 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.1 NCCSc1ccc(cc1)Br 1P00FM8E [0,1,0,0,0,0|3,0,0]=4 485 B11R1.1 NCCSc1ccc(cc1)Br 1P019JLT [0,1,0,0,0,0|3,0,0]=4 486 B11R1.1 NCCSc1ccc(cc1)C 1P007OKE [0,1,0,0,0,0|3,0,0]=4 487 B11R1.1 NCCSc1ccc(cc1)Cl 1P007BOW [0,1,0,0,0,0|3,0,0]=4 488 B11R1.1 NCCSc1ccc(cc1)F 1P00VVLI [0,1,0,0,0,0|3,0,0]=4 489 B11R1.1 Nc1ccc(cc1)CN=[N+]=[N-] 1P02818R [0,1,0,0,0,0|2,0,1]=4 490 B11R1.1 O=C=NCc1ccc(cc1)Br 1P002ZZ5 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.1 O=C=NCc1ccc(cc1)C 1P003M86 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.1 O=C=NCc1ccc(cc1)Cl 1P002ZWW [0,1,0,0,0,0|3,0,0]=4 493 B11R1.1 O=C=NCc1ccc(cc1)F 1P0011JP [0,1,0,0,0,0|3,0,0]=4 494 B11R1.1 O=CCCc1ccc(cc1)Br 1P0051VF [0,1,0,0,0,0|2,0,0]=3 495 B11R1.1 O=CCCc1ccc(cc1)Cl 1P008Q2P [0,1,0,0,0,0|2,0,0]=3 496 B11R1.1 O=CCCc1ccc(cc1)F 1P00EG6O [0,1,0,0,0,0|2,0,0]=3 497 B11R1.1 O=CCCc1ccc(cc1)I 1P01BUL9 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.1 O=CCCc1ccc(cc1)O 1P0028NJ [0,1,0,0,0,0|2,0,0]=3 499 B11R1.1 O=CCCc1ccc(nc1)C 1P01ADJ6 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.1 O=CCOc1ccc(cc1)Cl 1P01A7GV [0,1,0,0,0,0|3,0,0]=4 501 B11R1.1 O=CCOc1ccc(cc1)F 1P01ITPC [0,1,0,0,0,0|3,0,0]=4 502 B11R1.1 O=CCSc1ccc(cc1)F 1P01BJBG [0,1,0,0,0,0|3,0,0]=4 503 B11R1.1 O=CNCc1ccc(cc1)Cl 1P008GXB [0,1,0,0,0,0|3,0,0]=4 504 B11R1.1 OCCCc1ccc(cc1)Br 1P003LG7 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.1 OCCCc1ccc(cc1)C 1P00DGBS [0,1,0,0,0,0|2,0,0]=3 506 B11R1.1 OCCCc1ccc(cc1)Cl 1P00EABC [0,1,0,0,0,0|2,0,0]=3 507 B11R1.1 OCCCc1ccc(cc1)F 1P005XDJ [0,1,0,0,0,0|2,0,0]=3 508 B11R1.1 OCCCc1ccc(cc1)N 1P001DTD [0,1,0,0,0,0|2,0,0]=3 509 B11R1.1 OCCCc1ccc(cc1)O 1P000734 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.1 OCCCc1ccc(cn1)Br 1P01OUH9 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.1 OCCCc1ccc(nc1)Br 1P00FI1M [0,1,0,0,0,0|3,0,0]=4 512 B11R1.1 OCCCc1ccc(nc1)C 1P01ACVH [0,1,0,0,0,0|3,0,0]=4 513 B11R1.1 OCCNc1ccc(cc1)Br 1P01A04W [0,1,0,0,0,0|3,0,0]=4 514 B11R1.1 OCCNc1ccc(cc1)F 1P00ICHN [0,1,0,0,0,0|3,0,0]=4 515 B11R1.1 OCCNc1ccc(cc1)N 1P00B3XU [0,1,0,0,0,0|3,0,0]=4 516 B11R1.1 OCCOc1ccc(cc1)Br 1P00C0MX [0,1,0,0,0,0|3,0,0]=4 517 B11R1.1 OCCOc1ccc(cc1)C 1P001NU1 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.1 OCCOc1ccc(cc1)Cl 1P002IJ8 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.1 OCCOc1ccc(cc1)F 1P002YAD [0,1,0,0,0,0|3,0,0]=4 520 B11R1.1 OCCOc1ccc(cc1)I 1P01EV5Z [0,1,0,0,0,0|3,0,0]=4 521 B11R1.1 OCCOc1ccc(cc1)N 1P00J6OE [0,1,0,0,0,0|3,0,0]=4 522 B11R1.1 OCCOc1ccc(cc1)O 1P009Z1A [0,1,0,0,0,0|3,0,0]=4 523 B11R1.1 OCCSc1ccc(cc1)Br 1P00AXJC [0,1,0,0,0,0|3,0,0]=4 524 B11R1.1 OCCSc1ccc(cc1)Cl 1P007MJA [0,1,0,0,0,0|3,0,0]=4 525 B11R1.1 S=C=NCc1ccc(cc1)Br 1P00BJG2 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.1 S=C=NCc1ccc(cc1)Cl 1P003LNK [0,1,0,0,0,0|3,0,0]=4 527 B11R1.1 S=C=NCc1ccc(cc1)F 1P003LVX [0,1,0,0,0,0|3,0,0]=4 528 B11R1.1 SCCNc1ccc(cc1)F 1P00291M [0,1,0,0,0,0|3,0,0]=4 529 B11R1.16 BrC(c1ccccc1)N=C=O 1P028ZA9 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.16 BrC=CC(c1ccccc1)C 1P02911R [0,1,0,0,0,0|2,0,1]=4 531 B11R1.16 BrCCC(c1ccccc1)O 1P01BU72 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.16 C#CCC(c1ccccn1)O 1P00E8H0 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.16 C=CCC(=O)c1ccccc1 1P00F3VL [0,1,0,0,0,0|1,0,2]=4 534 B11R1.16 C=CCC(c1ccccc1)N 1P019ZKP [0,1,0,0,0,0|1,0,1]=3 535 B11R1.16 C=CCC(c1ccccc1)O 1P003F2U [0,1,0,0,0,0|1,0,1]=3 536 B11R1.16 C=CCC(c1ccccn1)O 1P01BV6A [0,1,0,0,0,0|2,0,1]=4 537 B11R1.16 C=CCC(c1ccncc1)N 1P00GAPD [0,1,0,0,0,0|2,0,1]=4 538 B11R1.16 C=CCC(c1ccncc1)N 1P01AJ1W [0,1,0,0,0,0|2,0,1]=4 539 B11R1.16 C=CC[C@@H](c1ccccc1)N 1P028TS3 [0,1,0,0,0,0|1,0,1]=3 540 B11R1.16 C=CC[C@H](c1ccccc1)N 1P000GXM [0,1,0,0,0,0|1,0,1]=3 541 B11R1.16 C=CC[C@H](c1ccccc1)N 1P001104 [0,1,0,0,0,0|1,0,1]=3 542 B11R1.16 CC#CC(=O)c1ccccc1 1P00FHQS [0,1,0,0,0,0|1,0,2]=4 543 B11R1.16 CC(c1ccccc1)CC#C 1P01XITB [0,1,0,0,0,0|1,0,1]=3 544 B11R1.16 CC(c1ccccc1)CC#N 1P01A5MS [0,1,0,0,0,0|2,0,0]=3 545 B11R1.16 CC(c1ccccc1)N=C=O 1P00AULA [0,1,0,0,0,0|3,0,0]=4 546 B11R1.16 CC(c1ccccc1)N=C=S 1P003F35 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.16 CC=CC(=O)c1ccccc1 1P003F2O [0,1,0,0,0,0|1,0,2]=4 548 B11R1.16 CCCC(=O)c1ccccc1 1P003P38 [0,1,0,0,0,0|1,0,1]=3 549 B11R1.16 CCCC(=O)c1ccccn1 1P002M7D [0,1,0,0,0,0|2,0,1]=4 550 B11R1.16 CCCC(=O)c1cccnc1 1P00ARKR [0,1,0,0,0,0|2,0,1]=4 551 B11R1.16 CCCC(=O)c1ccncc1 1P00ARKS [0,1,0,0,0,0|2,0,1]=4 552 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [0,1,0,0,0,0|1,0,0]=2 553 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [0,1,0,0,0,0|1,0,0]=2 554 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [0,1,0,0,0,0|1,0,0]=2 555 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [0,1,0,0,0,0|1,0,0]=2 556 B11R1.16 CCCC(c1ccccn1)C 1P01EXTY [0,1,0,0,0,0|2,0,0]=3 557 B11R1.16 CCCC(c1ccccn1)N 1P006PDX [0,1,0,0,0,0|2,0,0]=3 558 B11R1.16 CCCC(c1ccccn1)O 1P028Z4O [0,1,0,0,0,0|2,0,0]=3 559 B11R1.16 CCCC(c1cccnc1)N 1P00IGO1 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.16 CCCC(c1ccncc1)N 1P0094A8 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.16 CCCC(c1ccncc1)N 1P01DUNN [0,1,0,0,0,0|2,0,0]=3 562 B11R1.16 CCCC(c1ncccn1)N 1P028L7L [0,1,0,0,0,0|3,0,0]=4 563 B11R1.16 CCNC(=O)c1ccccc1 1P00EFY2 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.16 CCNC(c1ccccc1)C 1P0004S9 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.16 CCNC(c1cccnc1)C 1P00EFBF [0,1,0,0,0,0|3,0,0]=4 566 B11R1.16 CCNC(c1cccnc1)C 1P028RTA [0,1,0,0,0,0|3,0,0]=4 567 B11R1.16 CCNC(c1ccncc1)C 1P01AKDL [0,1,0,0,0,0|3,0,0]=4 568 B11R1.16 CCOC(=N)c1ccccc1 1P003QV0 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.16 CCOC(=O)c1ccccc1 1P003QV1 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.16 CCOP(=O)c1ccccc1 1P002QZM [0,1,0,0,0,0|3,0,0]=4 571 B11R1.16 CN(c1ccccc1)CC#C 1P0071U0 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.16 CNCC(c1ccccc1)C 1P00E9JV [0,1,0,0,0,0|0,0,0]=1 573 B11R1.16 CNCC(c1ccccc1)C 1P00GWGF [0,1,0,0,0,0|0,0,0]=1 574 B11R1.16 CNCC(c1ccccc1)O 1P003QA3 [0,1,0,0,0,0|0,0,0]=1 575 B11R1.16 CNCC(c1cccnc1)O 1P01AKS6 [0,1,0,0,0,0|1,0,0]=2 576 B11R1.16 CNC[C@H](c1ccccc1)C 1P027VJM [0,1,0,0,0,0|0,0,0]=1 577 B11R1.16 CNNC(=O)c1ccccc1 1P00AVBP [0,1,0,0,0,0|1,0,1]=3 578 B11R1.16 COCC(=O)c1ccccc1 1P003I0C [0,1,0,0,0,0|1,0,1]=3 579 B11R1.16 COCC(=O)c1ccccn1 1P008VRA [0,1,0,0,0,0|2,0,1]=4 580 B11R1.16 COCC(=O)c1cccnc1 1P02889I [0,1,0,0,0,0|2,0,1]=4 581 B11R1.16 COCC(c1ccccc1)Br 1P01EM9D [0,1,0,0,0,0|1,0,0]=2 582 B11R1.16 COCC(c1ccccc1)N 1P00BBXF [0,1,0,0,0,0|1,0,0]=2 583 B11R1.16 COCC(c1ccccc1)N 1P01A9V2 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.16 COCC(c1ccccc1)O 1P01EMW6 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.16 COCC(c1ccccc1)S 1P01DZAM [0,1,0,0,0,0|1,0,0]=2 586 B11R1.16 COCC(c1ccccn1)N 1P00J267 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.16 COCC(c1ccccn1)N 1P00J3PD [0,1,0,0,0,0|2,0,0]=3 588 B11R1.16 COCC(c1ccncc1)N 1P01PNYD [0,1,0,0,0,0|2,0,0]=3 589 B11R1.16 COC[C@@H](c1ccccc1)N 1P00EG20 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.16 COC[C@@H](c1ccccc1)N 1P00IBV5 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.16 COC[C@@H](c1ccccn1)N 1P028NWT [0,1,0,0,0,0|2,0,0]=3 592 B11R1.16 COC[C@@H](c1cccnc1)N 1P028NCG [0,1,0,0,0,0|2,0,0]=3 593 B11R1.16 COC[C@H](c1ccccc1)N 1P006PB9 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.16 COC[C@H](c1ccccc1)N 1P01JX6V [0,1,0,0,0,0|1,0,0]=2 595 B11R1.16 COC[C@H](c1ccccn1)N 1P01FJSH [0,1,0,0,0,0|2,0,0]=3 596 B11R1.16 COC[C@H](c1cccnc1)N 1P028NBA [0,1,0,0,0,0|2,0,0]=3 597 B11R1.16 CONC(=O)c1ccccc1 1P007NK5 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.16 CSCC(=O)c1ccccc1 1P01A91B [0,1,0,0,0,0|1,0,1]=3 599 B11R1.16 CSCC(c1ccccc1)N 1P01AK47 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.16 CSCC(c1ccccc1)N 1P028BW7 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.16 C[C@@H](c1ccccc1)N=C=O 1P003CTY [0,1,0,0,0,0|3,0,0]=4 602 B11R1.16 C[C@@H](c1ccccc1)N=C=S 1P003RO0 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.16 C[C@H](c1ccccc1)N=C=O 1P0032O4 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.16 C[C@H](c1ccccc1)N=C=S 1P003POZ [0,1,0,0,0,0|3,0,0]=4 605 B11R1.16 C\C=C\C(=O)c1ccccc1 1P003VC7 [0,1,0,0,0,0|1,0,2]=4 606 B11R1.16 ClCCC(=O)c1ccccc1 1P003JS2 [0,1,0,0,0,0|2,0,1]=4 607 B11R1.16 ClCCC(c1ccccc1)Br 1P00BETV [0,1,0,0,0,0|2,0,0]=3 608 B11R1.16 ClCCC(c1ccccc1)O 1P000P0F [0,1,0,0,0,0|2,0,0]=3 609 B11R1.16 ClCCN(c1ccccc1)C 1P00B4QF [0,1,0,0,0,0|3,0,0]=4 610 B11R1.16 ClCCS(=O)c1ccccc1 1P00C42H [0,1,0,0,0,0|3,0,0]=4 611 B11R1.16 ClCC[C@@H](c1ccccc1)O 1P000210 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.16 ClCC[C@H](c1ccccc1)O 1P000211 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.16 N#CCC(=O)c1ccccc1 1P00IBBJ [0,1,0,0,0,0|2,0,1]=4 614 B11R1.16 NC(c1ccccc1)CC#C 1P0091EK [0,1,0,0,0,0|1,0,1]=3 615 B11R1.16 NC(c1ccccc1)CC#N 1P019ZNM [0,1,0,0,0,0|2,0,0]=3 616 B11R1.16 NC(c1ccccc1)CC#N 1P01A76R [0,1,0,0,0,0|2,0,0]=3 617 B11R1.16 NCCC(=O)c1ccccc1 1P01KXES [0,1,0,0,0,0|2,0,1]=4 618 B11R1.16 NCCC(c1ccccc1)C 1P0075ZN [0,1,0,0,0,0|2,0,0]=3 619 B11R1.16 NCCC(c1ccccc1)C 1P00J1J3 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.16 NCCC(c1ccccc1)N 1P01A736 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.16 NCCC(c1ccccc1)O 1P000FT8 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.16 NCCC(c1ccccc1)O 1P006YZE [0,1,0,0,0,0|2,0,0]=3 623 B11R1.16 NCCC(c1ccncc1)C 1P01B9D4 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.16 NCCN(c1ccccc1)C 1P001X6M [0,1,0,0,0,0|3,0,0]=4 625 B11R1.16 NCCN(c1ccccc1)C 1P00I7NL [0,1,0,0,0,0|3,0,0]=4 626 B11R1.16 NCCS(=O)c1ccccc1 1P01AHMQ [0,1,0,0,0,0|3,0,0]=4 627 B11R1.16 NCC[C@@H](c1ccccc1)O 1P000UKF [0,1,0,0,0,0|2,0,0]=3 628 B11R1.16 NCC[C@H](c1ccccc1)O 1P0019XH [0,1,0,0,0,0|2,0,0]=3 629 B11R1.16 N[C@@H](c1ccccc1)CC#N 1P01AGQM [0,1,0,0,0,0|2,0,0]=3 630 B11R1.16 O=C(c1ccccc1)O[NH2+]C 1P003TWD [0,1,0,0,0,0|1,0,2]=4 631 B11R1.16 O=CCC(c1ccccc1)C 1P001TO2 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.16 O=CNC(c1ccccc1)C 1P00FC79 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.16 OC(c1ccccc1)CC#C 1P00201G [0,1,0,0,0,0|1,0,1]=3 634 B11R1.16 OC(c1ccccc1)CC#N 1P007DUP [0,1,0,0,0,0|2,0,0]=3 635 B11R1.16 OCCC(=O)c1ccccc1 1P0036LN [0,1,0,0,0,0|2,0,1]=4 636 B11R1.16 OCCC(c1ccccc1)C 1P003KBY [0,1,0,0,0,0|2,0,0]=3 637 B11R1.16 OCCC(c1ccccc1)N 1P001DZI [0,1,0,0,0,0|2,0,0]=3 638 B11R1.16 OCCC(c1ccccc1)O 1P00DGFN [0,1,0,0,0,0|2,0,0]=3 639 B11R1.16 OCCC(c1ccccn1)N 1P02903M [0,1,0,0,0,0|3,0,0]=4 640 B11R1.16 OCCC(c1ccccn1)N 1P0292S9 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.16 OCCC(c1ccccn1)O 1P00CGEO [0,1,0,0,0,0|3,0,0]=4 642 B11R1.16 OCCC(c1ccncc1)C 1P01EZ0E [0,1,0,0,0,0|3,0,0]=4 643 B11R1.16 OCCC(c1ccncc1)N 1P01B31E [0,1,0,0,0,0|3,0,0]=4 644 B11R1.16 OCCN(c1ccccc1)C 1P003BJB [0,1,0,0,0,0|3,0,0]=4 645 B11R1.16 OCC[C@@H](c1ccccc1)N 1P004Y9D [0,1,0,0,0,0|2,0,0]=3 646 B11R1.16 OCC[C@H](c1ccccc1)N 1P00385E [0,1,0,0,0,0|2,0,0]=3 647 B11R1.16 OCC[C@H](c1cccnc1)N 1P028MXF [0,1,0,0,0,0|3,0,0]=4 648 B11R1.16 O[C@@H](c1ccccc1)CC#N 1P00FWTX [0,1,0,0,0,0|2,0,0]=3 649 B11R1.16 O[C@H](c1ccccc1)CC#N 1P01EMW1 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.17 BrCCCc1ccccc1Br 1P01BLHY [0,1,0,0,0,0|2,0,0]=3 651 B11R1.17 BrCCCc1ccccc1C 1P019ZBO [0,1,0,0,0,0|2,0,0]=3 652 B11R1.17 BrCCCc1ccccc1Cl 1P00DAUT [0,1,0,0,0,0|2,0,0]=3 653 B11R1.17 BrCCCc1ccccc1F 1P000ZHO [0,1,0,0,0,0|2,0,0]=3 654 B11R1.17 BrCCCc1ccccc1O 1P01QLLI [0,1,0,0,0,0|2,0,0]=3 655 B11R1.17 BrCCOc1ccccc1Br 1P002H47 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.17 BrCCOc1ccccc1C 1P002H43 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.17 BrCCOc1ccccc1Cl 1P002H48 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.17 BrCCOc1ccccc1F 1P00APIZ [0,1,0,0,0,0|3,0,0]=4 659 B11R1.17 C#CCNc1ccccc1F 1P0292HT [0,1,0,0,0,0|2,0,1]=4 660 B11R1.17 C#CCOc1ccccc1Br 1P0078L0 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.17 C#CCOc1ccccc1C 1P01ABVD [0,1,0,0,0,0|2,0,1]=4 662 B11R1.17 C#CCOc1ccccc1Cl 1P01ABWN [0,1,0,0,0,0|2,0,1]=4 663 B11R1.17 C#CCOc1ccccc1F 1P01ABOC [0,1,0,0,0,0|2,0,1]=4 664 B11R1.17 C#CCOc1ccccc1I 1P01SSIV [0,1,0,0,0,0|2,0,1]=4 665 B11R1.17 C#CCOc1ccccc1N 1P00DAO9 [0,1,0,0,0,0|2,0,1]=4 666 B11R1.17 C#CCOc1ccccc1N 1P00J3IC [0,1,0,0,0,0|2,0,1]=4 667 B11R1.17 C#CCOc1ccccc1O 1P001FZ7 [0,1,0,0,0,0|2,0,1]=4 668 B11R1.17 C=CCCc1ccccc1Br 1P003KFV [0,1,0,0,0,0|1,0,1]=3 669 B11R1.17 C=CCCc1ccccc1N 1P00ICGJ [0,1,0,0,0,0|1,0,1]=3 670 B11R1.17 C=CCOc1ccccc1Br 1P00EFE3 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.17 C=CCOc1ccccc1C 1P003O6I [0,1,0,0,0,0|2,0,1]=4 672 B11R1.17 C=CCOc1ccccc1F 1P01ANU6 [0,1,0,0,0,0|2,0,1]=4 673 B11R1.17 C=CCOc1ccccc1N 1P00CKGM [0,1,0,0,0,0|2,0,1]=4 674 B11R1.17 C=CCOc1ccccc1O 1P0079XY [0,1,0,0,0,0|2,0,1]=4 675 B11R1.17 C=CCSc1ccccc1N 1P0057JO [0,1,0,0,0,0|2,0,1]=4 676 B11R1.17 CCCCc1ccccc1N 1P003I8I [0,1,0,0,0,0|1,0,0]=2 677 B11R1.17 CCCNc1ccccc1F 1P00J619 [0,1,0,0,0,0|2,0,0]=3 678 B11R1.17 CCCNc1ccccc1N 1P00DO1P [0,1,0,0,0,0|2,0,0]=3 679 B11R1.17 CCCNc1ccncc1N 1P027LRJ [0,1,0,0,0,0|3,0,0]=4 680 B11R1.17 CCCOc1ccccc1Br 1P01ACEG [0,1,0,0,0,0|2,0,0]=3 681 B11R1.17 CCCOc1ccccc1F 1P002953 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.17 CCCOc1ccccc1N 1P003ID7 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.17 CCCOc1ccccc1N 1P0071Y7 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.17 CCCOc1ccccc1O 1P00EBPB [0,1,0,0,0,0|2,0,0]=3 685 B11R1.17 CCCOc1ncccc1Br 1P005STA [0,1,0,0,0,0|3,0,0]=4 686 B11R1.17 CCCOc1ncccc1Cl 1P00HSBS [0,1,0,0,0,0|3,0,0]=4 687 B11R1.17 CCCOc1ncccc1I 1P00H1V9 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.17 CCCSc1ccccc1Cl 1P01EW2Z [0,1,0,0,0,0|2,0,0]=3 689 B11R1.17 CCCSc1ccccc1N 1P00J4GQ [0,1,0,0,0,0|2,0,0]=3 690 B11R1.17 CCNCc1ccccc1Br 1P01B8KE [0,1,0,0,0,0|2,0,0]=3 691 B11R1.17 CCNCc1ccccc1C 1P00EL3S [0,1,0,0,0,0|2,0,0]=3 692 B11R1.17 CCNCc1ccccc1C 1P00J2C5 [0,1,0,0,0,0|2,0,0]=3 693 B11R1.17 CCNCc1ccccc1Cl 1P00EEQM [0,1,0,0,0,0|2,0,0]=3 694 B11R1.17 CCNCc1ccccc1Cl 1P00J256 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.17 CCNCc1ccccc1F 1P00EEO8 [0,1,0,0,0,0|2,0,0]=3 696 B11R1.17 CCNCc1ccccc1F 1P00J27A [0,1,0,0,0,0|2,0,0]=3 697 B11R1.17 CCNCc1ccccc1N 1P01C4DL [0,1,0,0,0,0|2,0,0]=3 698 B11R1.17 CCNCc1ccccc1O 1P0094L1 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.17 CCOCc1ccccc1N 1P019VHZ [0,1,0,0,0,0|2,0,0]=3 700 B11R1.17 CCSCc1cccnc1N 1P01BIEL [0,1,0,0,0,0|3,0,0]=4 701 B11R1.17 CNCCc1ccccc1Br 1P01BGGG [0,1,0,0,0,0|0,0,0]=1 702 B11R1.17 CNCCc1ccccc1Br 1P01BGHB [0,1,0,0,0,0|0,0,0]=1 703 B11R1.17 CNCCc1ccccc1C 1P00G8WN [0,1,0,0,0,0|0,0,0]=1 704 B11R1.17 CNCCc1ccccc1Cl 1P02841D [0,1,0,0,0,0|0,0,0]=1 705 B11R1.17 CNCCc1ccccc1F 1P003D7I [0,1,0,0,0,0|0,0,0]=1 706 B11R1.17 CNCCc1ccccc1O 1P01A6W9 [0,1,0,0,0,0|0,0,0]=1 707 B11R1.17 COCCc1ccccc1N 1P01B1SZ [0,1,0,0,0,0|1,0,0]=2 708 B11R1.17 COCCc1ccccc1O 1P00C9JD [0,1,0,0,0,0|1,0,0]=2 709 B11R1.17 COCOc1ccccc1Br 1P00ICA6 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.17 COCOc1ccccc1N 1P0046P4 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.17 COCOc1cccnc1Cl 1P01KLHT [0,1,0,0,0,0|3,0,0]=4 712 B11R1.17 COCOc1cnccc1I 1P00G972 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.17 CONCc1ccccc1Cl 1P01BCZ0 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.17 CO\N=C\c1ccccc1N 1P00BLHN [0,1,0,0,0,0|2,0,1]=4 715 B11R1.17 CSCCc1ccccc1N 1P01C0LF [0,1,0,0,0,0|1,0,0]=2 716 B11R1.17 Cc1ccncc1CCC=O 1P01AFZN [0,1,0,0,0,0|3,0,0]=4 717 B11R1.17 Cc1ccncc1CCCBr 1P028N3R [0,1,0,0,0,0|3,0,0]=4 718 B11R1.17 Cc1ccncc1CCCO 1P01ADPA [0,1,0,0,0,0|3,0,0]=4 719 B11R1.17 Cc1ncccc1CCCN 1P01DXQ8 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.17 Cc1ncccc1OCOC 1P028219 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.17 Cc1nccnc1CCCC 1P001RXN [0,1,0,0,0,0|3,0,0]=4 722 B11R1.17 ClCCCc1ccccc1Br 1P01A6XT [0,1,0,0,0,0|2,0,0]=3 723 B11R1.17 ClCCCc1ccccc1Cl 1P01A6XJ [0,1,0,0,0,0|2,0,0]=3 724 B11R1.17 ClCCSc1ccccc1F 1P019PL2 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.17 FCCOc1ccccc1N 1P00B19H [0,1,0,0,0,0|3,0,0]=4 726 B11R1.17 FCCOc1ccccc1O 1P028RKN [0,1,0,0,0,0|3,0,0]=4 727 B11R1.17 N#CCCc1ccccc1Br 1P00EK1M [0,1,0,0,0,0|2,0,0]=3 728 B11R1.17 N#CCCc1ccccc1Cl 1P003BQP [0,1,0,0,0,0|2,0,0]=3 729 B11R1.17 N#CCCc1ncccc1C 1P00A8KN [0,1,0,0,0,0|3,0,0]=4 730 B11R1.17 N#CCOc1ccccc1Br 1P00GTDY [0,1,0,0,0,0|3,0,0]=4 731 B11R1.17 N#CCOc1ccccc1C 1P003TZ0 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.17 N#CCOc1ccccc1Cl 1P007038 [0,1,0,0,0,0|3,0,0]=4 733 B11R1.17 N#CCOc1ccccc1F 1P00188C [0,1,0,0,0,0|3,0,0]=4 734 B11R1.17 N#CCOc1ccccc1N 1P00COUZ [0,1,0,0,0,0|3,0,0]=4 735 B11R1.17 N#CSCc1ccccc1Cl 1P002K18 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.17 NCCCc1ccccc1Br 1P003IGX [0,1,0,0,0,0|2,0,0]=3 737 B11R1.17 NCCCc1ccccc1C 1P01A86S [0,1,0,0,0,0|2,0,0]=3 738 B11R1.17 NCCCc1ccccc1C 1P028ND0 [0,1,0,0,0,0|2,0,0]=3 739 B11R1.17 NCCCc1ccccc1Cl 1P007SQO [0,1,0,0,0,0|2,0,0]=3 740 B11R1.17 NCCCc1ccccc1Cl 1P00J3GT [0,1,0,0,0,0|2,0,0]=3 741 B11R1.17 NCCCc1ccccc1F 1P00J226 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.17 NCCCc1ccccc1F 1P00J3O4 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.17 NCCCc1ccccc1N 1P01H9WR [0,1,0,0,0,0|2,0,0]=3 744 B11R1.17 NCCCc1ccccc1O 1P0293LH [0,1,0,0,0,0|2,0,0]=3 745 B11R1.17 NCCCc1cccnc1F 1P028AIK [0,1,0,0,0,0|3,0,0]=4 746 B11R1.17 NCCCc1cccnc1N 1P01EKLN [0,1,0,0,0,0|3,0,0]=4 747 B11R1.17 NCCCc1ccncc1C 1P01DXLM [0,1,0,0,0,0|3,0,0]=4 748 B11R1.17 NCCCc1ncccc1F 1P027WZ2 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.17 NCCCn1ccccc1=O 1P0008JI [0,1,0,0,0,0|3,0,0]=4 750 B11R1.17 NCCCn1ccccc1=O 1P00J324 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.17 NCCNc1ccccc1N 1P000Z7A [0,1,0,0,0,0|3,0,0]=4 752 B11R1.17 NCCOc1ccccc1Br 1P00BNU5 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.17 NCCOc1ccccc1Br 1P019X6V [0,1,0,0,0,0|3,0,0]=4 754 B11R1.17 NCCOc1ccccc1C 1P002U8E [0,1,0,0,0,0|3,0,0]=4 755 B11R1.17 NCCOc1ccccc1C 1P00J2FT [0,1,0,0,0,0|3,0,0]=4 756 B11R1.17 NCCOc1ccccc1Cl 1P002TEN [0,1,0,0,0,0|3,0,0]=4 757 B11R1.17 NCCOc1ccccc1F 1P003F8C [0,1,0,0,0,0|3,0,0]=4 758 B11R1.17 NCCOc1ccccc1F 1P00BSL5 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.17 NCCOc1ccccc1N 1P02806I [0,1,0,0,0,0|3,0,0]=4 760 B11R1.17 NCCOc1ccccc1O 1P028U16 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.17 NCCSc1ccccc1F 1P01AIMM [0,1,0,0,0,0|3,0,0]=4 762 B11R1.17 NCCSc1ccccc1F 1P028VDK [0,1,0,0,0,0|3,0,0]=4 763 B11R1.17 NNCCc1ccccc1F 1P01A1G0 [0,1,0,0,0,0|1,0,0]=2 764 B11R1.17 O=C=NCc1ccccc1Br 1P024UNF [0,1,0,0,0,0|3,0,0]=4 765 B11R1.17 O=C=NCc1ccccc1Cl 1P003HIK [0,1,0,0,0,0|3,0,0]=4 766 B11R1.17 O=C=NCc1ccccc1F 1P0011JO [0,1,0,0,0,0|3,0,0]=4 767 B11R1.17 O=CCCc1ccccc1Br 1P007EY4 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.17 O=CCCc1ccccc1Cl 1P001PX4 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.17 O=CCCc1ccccc1F 1P0020TU [0,1,0,0,0,0|2,0,0]=3 770 B11R1.17 OCCCc1ccccc1Br 1P003IH2 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.17 OCCCc1ccccc1C 1P00AKMS [0,1,0,0,0,0|2,0,0]=3 772 B11R1.17 OCCCc1ccccc1Cl 1P00EG6L [0,1,0,0,0,0|2,0,0]=3 773 B11R1.17 OCCCc1ccccc1F 1P008PWR [0,1,0,0,0,0|2,0,0]=3 774 B11R1.17 OCCCc1ccccc1N 1P00ELQ8 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.17 OCCCc1ccccc1N 1P01WU2M [0,1,0,0,0,0|2,0,0]=3 776 B11R1.17 OCCCc1cccnc1Cl 1P01B7X0 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.17 OCCCc1ccncc1Br 1P002LYB [0,1,0,0,0,0|3,0,0]=4 778 B11R1.17 OCCCc1ncccc1C 1P01IM7K [0,1,0,0,0,0|3,0,0]=4 779 B11R1.17 OCCCn1ccccc1=O 1P01AB5O [0,1,0,0,0,0|3,0,0]=4 780 B11R1.17 OCCNc1ccccc1Br 1P004IUI [0,1,0,0,0,0|3,0,0]=4 781 B11R1.17 OCCNc1ccccc1C 1P009DSY [0,1,0,0,0,0|3,0,0]=4 782 B11R1.17 OCCNc1ccccc1N 1P0071BA [0,1,0,0,0,0|3,0,0]=4 783 B11R1.17 OCCNc1ccccc1N 1P00GA2T [0,1,0,0,0,0|3,0,0]=4 784 B11R1.17 OCCOc1ccccc1Br 1P00CMXS [0,1,0,0,0,0|3,0,0]=4 785 B11R1.17 OCCOc1ccccc1C 1P00F3TS [0,1,0,0,0,0|3,0,0]=4 786 B11R1.17 OCCOc1ccccc1F 1P01AJ5S [0,1,0,0,0,0|3,0,0]=4 787 B11R1.17 OCCOc1ccccc1N 1P00CKL8 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.17 OCCOc1ccccc1N 1P028OSU [0,1,0,0,0,0|3,0,0]=4 789 B11R1.17 OCCOc1ccccc1O 1P003F8K [0,1,0,0,0,0|3,0,0]=4 790 B11R1.17 S=C=NCc1ccccc1C 1P001XRW [0,1,0,0,0,0|3,0,0]=4 791 B11R1.17 S=C=NCc1ccccc1Cl 1P002ECM [0,1,0,0,0,0|3,0,0]=4 792 B11R1.17 [N-]=[N+]=NCc1ccccc1Br 1P000TQ2 [0,1,0,0,0,0|2,0,1]=4 793 B11R1.17 [N-]=[N+]=NCc1ccccc1C 1P009EDC [0,1,0,0,0,0|2,0,1]=4 794 B11R1.17 [N-]=[N+]=NCc1ccccc1Cl 1P00IBQI [0,1,0,0,0,0|2,0,1]=4 795 B11R1.17 [N-]=[N+]=NCc1ccccc1F 1P00EESY [0,1,0,0,0,0|2,0,1]=4 796 B11R1.17 [N-]=[N+]=NCc1ccccc1I 1P01B1XI [0,1,0,0,0,0|2,0,1]=4 797 B11R1.17 [N-]=[N+]=NCc1ccccc1N 1P0283A1 [0,1,0,0,0,0|2,0,1]=4 798 B11R1.17 [N-]=[N+]=NCc1ccccc1O 1P028819 [0,1,0,0,0,0|2,0,1]=4 799 B11R1.24 BrCCCc1cccc(c1)Br 1P01BLCH [0,1,0,0,0,0|2,0,0]=3 800 B11R1.24 BrCCCc1cccc(c1)C 1P01A5L7 [0,1,0,0,0,0|2,0,0]=3 801 B11R1.24 BrCCCc1cccc(c1)Cl 1P006RIG [0,1,0,0,0,0|2,0,0]=3 802 B11R1.24 BrCCCc1cccc(c1)F 1P00HYVW [0,1,0,0,0,0|2,0,0]=3 803 B11R1.24 BrCCOc1cccc(c1)Br 1P002H46 [0,1,0,0,0,0|3,0,0]=4 804 B11R1.24 BrCCOc1cccc(c1)C 1P00EA3I [0,1,0,0,0,0|3,0,0]=4 805 B11R1.24 BrCCOc1cccc(c1)Cl 1P00EA3F [0,1,0,0,0,0|3,0,0]=4 806 B11R1.24 BrCCOc1cccc(c1)F 1P00GNMS [0,1,0,0,0,0|3,0,0]=4 807 B11R1.24 BrCCSc1cccc(c1)C 1P01B5AT [0,1,0,0,0,0|3,0,0]=4 808 B11R1.24 BrCCSc1cccc(c1)Cl 1P01B5IM [0,1,0,0,0,0|3,0,0]=4 809 B11R1.24 BrCCSc1cccc(c1)F 1P01B5LJ [0,1,0,0,0,0|3,0,0]=4 810 B11R1.24 C#CCNc1cccc(c1)F 1P00DO6P [0,1,0,0,0,0|2,0,1]=4 811 B11R1.24 C#CCNc1cccc(c1)F 1P01FI1T [0,1,0,0,0,0|2,0,1]=4 812 B11R1.24 C#CCOc1cccc(c1)Br 1P01ABVV [0,1,0,0,0,0|2,0,1]=4 813 B11R1.24 C#CCOc1cccc(c1)C 1P01ABOD [0,1,0,0,0,0|2,0,1]=4 814 B11R1.24 C#CCOc1cccc(c1)Cl 1P01ABUR [0,1,0,0,0,0|2,0,1]=4 815 B11R1.24 C#CCOc1cccc(c1)F 1P0067ZK [0,1,0,0,0,0|2,0,1]=4 816 B11R1.24 C#CCOc1cccc(c1)I 1P028JX1 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.24 C#CCOc1cccc(c1)N 1P018NCT [0,1,0,0,0,0|2,0,1]=4 818 B11R1.24 C#CCOc1cccc(c1)N 1P01X081 [0,1,0,0,0,0|2,0,1]=4 819 B11R1.24 C#CCOc1cccc(c1)O 1P01ABZL [0,1,0,0,0,0|2,0,1]=4 820 B11R1.24 C=CCCc1cccc(c1)Br 1P001SOX [0,1,0,0,0,0|1,0,1]=3 821 B11R1.24 C=CCCc1cccc(c1)Cl 1P00GW9B [0,1,0,0,0,0|1,0,1]=3 822 B11R1.24 C=CCCc1cccc(c1)O 1P028OEQ [0,1,0,0,0,0|1,0,1]=3 823 B11R1.24 C=CCOc1cccc(c1)Cl 1P01B9UZ [0,1,0,0,0,0|2,0,1]=4 824 B11R1.24 C=CCOc1cccc(c1)N 1P005GWZ [0,1,0,0,0,0|2,0,1]=4 825 B11R1.24 CCCC[n+]1cccc(c1)C 1P000OQM [0,1,0,0,0,0|2,0,0]=3 826 B11R1.24 CCCC[n+]1cccc(c1)C 1P002U7S [0,1,0,0,0,0|2,0,0]=3 827 B11R1.24 CCCC[n+]1cccc(c1)C 1P003F0P [0,1,0,0,0,0|2,0,0]=3 828 B11R1.24 CCCC[n+]1cccc(c1)C 1P003TBO [0,1,0,0,0,0|2,0,0]=3 829 B11R1.24 CCCC[n+]1cccc(c1)C 1P006AIC [0,1,0,0,0,0|2,0,0]=3 830 B11R1.24 CCCCc1cc(Br)ccn1 1P028SE8 [0,1,0,0,0,0|2,0,0]=3 831 B11R1.24 CCCCc1cc(Cl)ncn1 1P01AQQA [0,1,0,0,0,0|3,0,0]=4 832 B11R1.24 CCCCc1cccc(c1)Br 1P00IA9J [0,1,0,0,0,0|1,0,0]=2 833 B11R1.24 CCCCc1cccc(c1)F 1P007R6O [0,1,0,0,0,0|1,0,0]=2 834 B11R1.24 CCCCc1cccc(c1)I 1P01FG1G [0,1,0,0,0,0|1,0,0]=2 835 B11R1.24 CCCCc1cccc(c1)N 1P00E17Q [0,1,0,0,0,0|1,0,0]=2 836 B11R1.24 CCCCc1cccc(n1)F 1P01EXUY [0,1,0,0,0,0|2,0,0]=3 837 B11R1.24 CCCCc1cccc(n1)N 1P00IJG7 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.24 CCCCc1ccnc(n1)N 1P01A3KC [0,1,0,0,0,0|3,0,0]=4 839 B11R1.24 CCCNc1cccc(c1)N 1P001OFW [0,1,0,0,0,0|2,0,0]=3 840 B11R1.24 CCCOc1cccc(c1)Br 1P00AXCY [0,1,0,0,0,0|2,0,0]=3 841 B11R1.24 CCCOc1cccc(c1)I 1P01BV92 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.24 CCCOc1cccc(c1)N 1P00E08Z [0,1,0,0,0,0|2,0,0]=3 843 B11R1.24 CCCOc1cccc(c1)O 1P001WKO [0,1,0,0,0,0|2,0,0]=3 844 B11R1.24 CCCOc1cncc(c1)N 1P01BVKR [0,1,0,0,0,0|3,0,0]=4 845 B11R1.24 CCCSc1cccc(c1)Cl 1P00HZZX [0,1,0,0,0,0|2,0,0]=3 846 B11R1.24 CCCSc1cccc(c1)N 1P01SYJ2 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.24 CCCSc1cccc(n1)N 1P01C0R8 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.24 CCNCc1cccc(=O)[nH]1 1P01C9UC [0,1,0,0,0,0|3,0,0]=4 849 B11R1.24 CCNCc1cccc(c1)Br 1P003TGE [0,1,0,0,0,0|2,0,0]=3 850 B11R1.24 CCNCc1cccc(c1)Br 1P00J289 [0,1,0,0,0,0|2,0,0]=3 851 B11R1.24 CCNCc1cccc(c1)C 1P019M65 [0,1,0,0,0,0|2,0,0]=3 852 B11R1.24 CCNCc1cccc(c1)C 1P028BRI [0,1,0,0,0,0|2,0,0]=3 853 B11R1.24 CCNCc1cccc(c1)Cl 1P00CM77 [0,1,0,0,0,0|2,0,0]=3 854 B11R1.24 CCNCc1cccc(c1)Cl 1P01DEFU [0,1,0,0,0,0|2,0,0]=3 855 B11R1.24 CCNCc1cccc(c1)F 1P003TGG [0,1,0,0,0,0|2,0,0]=3 856 B11R1.24 CCNCc1cccc(c1)F 1P01OSH9 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.24 CCNCc1cccc(c1)O 1P003J8B [0,1,0,0,0,0|2,0,0]=3 858 B11R1.24 CCNCc1cccc(n1)C 1P00DJ4L [0,1,0,0,0,0|3,0,0]=4 859 B11R1.24 CCNCc1cncc(c1)Br 1P00A0MK [0,1,0,0,0,0|3,0,0]=4 860 B11R1.24 CCOCc1cccc(c1)Br 1P01DM58 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.24 CCOCc1cccc(c1)N 1P01A9Y1 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.24 CCSCc1cccc(c1)N 1P01ALCJ [0,1,0,0,0,0|2,0,0]=3 863 B11R1.24 CCSCc1ccnc(c1)N 1P01A3TH [0,1,0,0,0,0|3,0,0]=4 864 B11R1.24 CNCCc1cccc(c1)Br 1P00GNFN [0,1,0,0,0,0|0,0,0]=1 865 B11R1.24 CNCCc1cccc(c1)Br 1P01BCD0 [0,1,0,0,0,0|0,0,0]=1 866 B11R1.24 CNCCc1cccc(c1)C 1P00139J [0,1,0,0,0,0|0,0,0]=1 867 B11R1.24 CNCCc1cccc(c1)Cl 1P003TNB [0,1,0,0,0,0|0,0,0]=1 868 B11R1.24 CNCCc1cccc(c1)Cl 1P028CMS [0,1,0,0,0,0|0,0,0]=1 869 B11R1.24 CNCCc1cccc(c1)F 1P003TMU [0,1,0,0,0,0|0,0,0]=1 870 B11R1.24 CNCCc1cccc(c1)F 1P01RLER [0,1,0,0,0,0|0,0,0]=1 871 B11R1.24 CNCCc1cccc(c1)O 1P01HQPB [0,1,0,0,0,0|0,0,0]=1 872 B11R1.24 CNCCc1nccc(n1)O 1P01FIAX [0,1,0,0,0,0|2,0,0]=3 873 B11R1.24 COCCc1cccc(c1)O 1P00CA9F [0,1,0,0,0,0|1,0,0]=2 874 B11R1.24 COCCc1ccnc(c1)N 1P01BAX6 [0,1,0,0,0,0|2,0,0]=3 875 B11R1.24 COCCc1nccc(c1)C 1P01EYEK [0,1,0,0,0,0|2,0,0]=3 876 B11R1.24 COCOc1cccc(c1)Br 1P00CLTD [0,1,0,0,0,0|2,0,0]=3 877 B11R1.24 COCOc1cccc(c1)F 1P000WW8 [0,1,0,0,0,0|2,0,0]=3 878 B11R1.24 COCOc1cccc(c1)N 1P00IKB7 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.24 CO\C=C\c1cccc(c1)F 1P0073CY [0,1,0,0,0,0|1,0,2]=4 880 B11R1.24 Cc1cccc(n1)CCCN 1P01BAKU [0,1,0,0,0,0|3,0,0]=4 881 B11R1.24 Cc1cccc(n1)CCCO 1P00EEAF [0,1,0,0,0,0|3,0,0]=4 882 B11R1.24 ClCCOc1cccc(c1)N 1P00J2BQ [0,1,0,0,0,0|3,0,0]=4 883 B11R1.24 FCCOc1cccc(c1)Br 1P0011PY [0,1,0,0,0,0|3,0,0]=4 884 B11R1.24 FCCOc1cccc(c1)N 1P01A0CG [0,1,0,0,0,0|3,0,0]=4 885 B11R1.24 FCCOc1cccc(c1)O 1P028QTC [0,1,0,0,0,0|3,0,0]=4 886 B11R1.24 N#CCCc1cccc(c1)Br 1P00C9E9 [0,1,0,0,0,0|2,0,0]=3 887 B11R1.24 N#CCCc1cccc(c1)Cl 1P0070VD [0,1,0,0,0,0|2,0,0]=3 888 B11R1.24 N#CCCc1cccc(c1)F 1P00BDNP [0,1,0,0,0,0|2,0,0]=3 889 B11R1.24 N#CCNc1cccc(c1)Cl 1P01AI38 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.24 N#CCNc1cccc(c1)F 1P01AIBG [0,1,0,0,0,0|3,0,0]=4 891 B11R1.24 N#CCOc1cccc(c1)Br 1P00IJA7 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.24 N#CCOc1cccc(c1)C 1P003SN6 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.24 N#CCOc1cccc(c1)Cl 1P003JRT [0,1,0,0,0,0|3,0,0]=4 894 B11R1.24 N#CCOc1cccc(c1)F 1P003JY6 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.24 N#CCOc1cccc(c1)N 1P00BIIJ [0,1,0,0,0,0|3,0,0]=4 896 B11R1.24 N#CCOc1cccc(c1)O 1P00HBEW [0,1,0,0,0,0|3,0,0]=4 897 B11R1.24 NCCCc1cccc(c1)Br 1P0020BX [0,1,0,0,0,0|2,0,0]=3 898 B11R1.24 NCCCc1cccc(c1)Br 1P01AHCD [0,1,0,0,0,0|2,0,0]=3 899 B11R1.24 NCCCc1cccc(c1)C 1P007Y00 [0,1,0,0,0,0|2,0,0]=3 900 B11R1.24 NCCCc1cccc(c1)C 1P028WZW [0,1,0,0,0,0|2,0,0]=3 901 B11R1.24 NCCCc1cccc(c1)Cl 1P00APQT [0,1,0,0,0,0|2,0,0]=3 902 B11R1.24 NCCCc1cccc(c1)Cl 1P01A872 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.24 NCCCc1cccc(c1)F 1P00923E [0,1,0,0,0,0|2,0,0]=3 904 B11R1.24 NCCCc1cccc(c1)F 1P00J227 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.24 NCCCc1cccc(c1)N 1P00CPDL [0,1,0,0,0,0|2,0,0]=3 906 B11R1.24 NCCCc1cccc(c1)O 1P00VTXV [0,1,0,0,0,0|2,0,0]=3 907 B11R1.24 NCCCc1cccc(c1)O 1P01BFC0 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.24 NCCCc1ccnc(c1)Br 1P028HUM [0,1,0,0,0,0|3,0,0]=4 909 B11R1.24 NCCCc1ccnc(c1)C 1P01DVCG [0,1,0,0,0,0|3,0,0]=4 910 B11R1.24 NCCCc1cncc(c1)F 1P028B9P [0,1,0,0,0,0|3,0,0]=4 911 B11R1.24 NCCNc1cccc(c1)Br 1P001DEV [0,1,0,0,0,0|3,0,0]=4 912 B11R1.24 NCCNc1cccc(c1)Cl 1P0174M8 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.24 NCCOc1cccc(c1)Br 1P00IHPE [0,1,0,0,0,0|3,0,0]=4 914 B11R1.24 NCCOc1cccc(c1)Br 1P019WXP [0,1,0,0,0,0|3,0,0]=4 915 B11R1.24 NCCOc1cccc(c1)C 1P003FAU [0,1,0,0,0,0|3,0,0]=4 916 B11R1.24 NCCOc1cccc(c1)C 1P00J1AQ [0,1,0,0,0,0|3,0,0]=4 917 B11R1.24 NCCOc1cccc(c1)Cl 1P003FAA [0,1,0,0,0,0|3,0,0]=4 918 B11R1.24 NCCOc1cccc(c1)Cl 1P00J1B2 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.24 NCCOc1cccc(c1)F 1P003FAJ [0,1,0,0,0,0|3,0,0]=4 920 B11R1.24 NCCOc1cccc(c1)F 1P00CWKB [0,1,0,0,0,0|3,0,0]=4 921 B11R1.24 NCCOc1cccc(c1)O 1P00G1XG [0,1,0,0,0,0|3,0,0]=4 922 B11R1.24 NCCOc1cccc(c1)O 1P01JMH5 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.24 Nc1cc(CCCO)ncc1 1P01FM7A [0,1,0,0,0,0|3,0,0]=4 924 B11R1.24 O=C=NCc1cccc(c1)Br 1P023TXT [0,1,0,0,0,0|3,0,0]=4 925 B11R1.24 O=C=NCc1cccc(c1)C 1P003K7J [0,1,0,0,0,0|3,0,0]=4 926 B11R1.24 O=C=NCc1cccc(c1)Cl 1P01AKFT [0,1,0,0,0,0|3,0,0]=4 927 B11R1.24 O=CCCc1cccc(c1)Br 1P002L1M [0,1,0,0,0,0|2,0,0]=3 928 B11R1.24 O=CCCc1cccc(c1)Cl 1P0012BU [0,1,0,0,0,0|2,0,0]=3 929 B11R1.24 O=CCCc1cccc(c1)F 1P002OU3 [0,1,0,0,0,0|2,0,0]=3 930 B11R1.24 O=CCCc1cncc(c1)C 1P01AD9R [0,1,0,0,0,0|3,0,0]=4 931 B11R1.24 O=CCCc1cncc(c1)F 1P01ADOR [0,1,0,0,0,0|3,0,0]=4 932 B11R1.24 OCCCc1cccc(c1)Br 1P00EC4F [0,1,0,0,0,0|2,0,0]=3 933 B11R1.24 OCCCc1cccc(c1)C 1P007U5X [0,1,0,0,0,0|2,0,0]=3 934 B11R1.24 OCCCc1cccc(c1)Cl 1P002M9V [0,1,0,0,0,0|2,0,0]=3 935 B11R1.24 OCCCc1cccc(c1)F 1P001PIS [0,1,0,0,0,0|2,0,0]=3 936 B11R1.24 OCCCc1cccc(c1)N 1P00DK0P [0,1,0,0,0,0|2,0,0]=3 937 B11R1.24 OCCCc1cccc(c1)O 1P007LKL [0,1,0,0,0,0|2,0,0]=3 938 B11R1.24 OCCCc1ccnc(c1)C 1P00NZUB [0,1,0,0,0,0|3,0,0]=4 939 B11R1.24 OCCCc1cncc(c1)C 1P01ACPG [0,1,0,0,0,0|3,0,0]=4 940 B11R1.24 OCCCc1cncc(c1)F 1P02832X [0,1,0,0,0,0|3,0,0]=4 941 B11R1.24 OCCNc1cccc(c1)Br 1P0015JF [0,1,0,0,0,0|3,0,0]=4 942 B11R1.24 OCCNc1cccc(c1)C 1P0006PF [0,1,0,0,0,0|3,0,0]=4 943 B11R1.24 OCCNc1cccc(c1)F 1P019S8R [0,1,0,0,0,0|3,0,0]=4 944 B11R1.24 OCCOc1cccc(c1)Br 1P00GNEF [0,1,0,0,0,0|3,0,0]=4 945 B11R1.24 OCCOc1cccc(c1)Cl 1P00EH6C [0,1,0,0,0,0|3,0,0]=4 946 B11R1.24 OCCOc1cccc(c1)N 1P00DDP7 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.24 OCCSc1cccc(c1)Br 1P009MB6 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.24 OCCSc1cccc(c1)C 1P00C12F [0,1,0,0,0,0|3,0,0]=4 949 B11R1.24 S=C=NCc1cccc(c1)Br 1P007A6X [0,1,0,0,0,0|3,0,0]=4 950 B11R1.24 S=C=NCc1cccc(c1)Cl 1P00C108 [0,1,0,0,0,0|3,0,0]=4 951 B11R1.24 [C-]#[N+]CCc1cccc(c1)F 1P005YP6 [0,1,0,0,0,0|0,0,2]=3 952 B11R1.24 [N-]=[N+]=NCc1cccc(c1)Br 1P000TQ3 [0,1,0,0,0,0|2,0,1]=4 953 B11R1.24 [N-]=[N+]=NCc1cccc(c1)C 1P000TQ4 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.24 [N-]=[N+]=NCc1cccc(c1)Cl 1P01C6XH [0,1,0,0,0,0|2,0,1]=4 955 B11R1.24 [N-]=[N+]=NCc1cccc(c1)F 1P00ADII [0,1,0,0,0,0|2,0,1]=4 956 B11R1.24 [N-]=[N+]=NCc1cccc(c1)N 1P0282YX [0,1,0,0,0,0|2,0,1]=4 957 B11R1.24 [N-]=[N+]=NCc1cccc(c1)O 1P024UP9 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.28 BrCCCCc1ccccc1 1P001243 [0,1,0,0,0,0|1,0,0]=2 959 B11R1.28 BrCCCOc1ccccc1 1P003KBT [0,1,0,0,0,0|2,0,0]=3 960 B11R1.28 BrCCOCc1ccccc1 1P001E9R [0,1,0,0,0,0|2,0,0]=3 961 B11R1.28 BrCCSCc1ccccc1 1P01AMPW [0,1,0,0,0,0|2,0,0]=3 962 B11R1.28 BrCC\C=C\c1ccccc1 1P005EJI [0,1,0,0,0,0|1,0,2]=4 963 B11R1.28 C#CCCOc1ccccc1 1P001P0F [0,1,0,0,0,0|1,0,1]=3 964 B11R1.28 C#CCNCc1ccccc1 1P000PYH [0,1,0,0,0,0|1,0,1]=3 965 B11R1.28 C#CCNCc1ccccc1 1P00J1E3 [0,1,0,0,0,0|1,0,1]=3 966 B11R1.28 C#CCNCc1cccnc1 1P00A7WN [0,1,0,0,0,0|2,0,1]=4 967 B11R1.28 C#CCNCc1cccnc1 1P028NJE [0,1,0,0,0,0|2,0,1]=4 968 B11R1.28 C#CCOCc1ccccc1 1P0038C3 [0,1,0,0,0,0|1,0,1]=3 969 B11R1.28 C=CCNCc1ccccc1 1P002O21 [0,1,0,0,0,0|1,0,1]=3 970 B11R1.28 C=CCNCc1ccccc1 1P003T6B [0,1,0,0,0,0|1,0,1]=3 971 B11R1.28 C=CCNCc1ccccn1 1P00ECLP [0,1,0,0,0,0|2,0,1]=4 972 B11R1.28 C=CCNCc1cccnc1 1P008EPP [0,1,0,0,0,0|2,0,1]=4 973 B11R1.28 C=CCNCc1ccncc1 1P00DD71 [0,1,0,0,0,0|2,0,1]=4 974 B11R1.28 C=CCOCc1ccccc1 1P001DZF [0,1,0,0,0,0|1,0,1]=3 975 B11R1.28 CC#CCOc1ccccc1 1P0071UP [0,1,0,0,0,0|1,0,1]=3 976 B11R1.28 CC=CCOc1cccnc1 1P01BVZC [0,1,0,0,0,0|2,0,1]=4 977 B11R1.28 CCCC#Cc1ccccc1 1P00242B [0,1,0,0,0,0|1,0,1]=3 978 B11R1.28 CCCCCc1ccccc1 1P003F3E [0,1,0,0,0,0|1,0,0]=2 979 B11R1.28 CCCCCc1ccccn1 1P002M24 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.28 CCCCCc1cccnc1 1P00228X [0,1,0,0,0,0|2,0,0]=3 981 B11R1.28 CCCCCc1ccncc1 1P002ZCV [0,1,0,0,0,0|2,0,0]=3 982 B11R1.28 CCCCNc1ccccc1 1P0035TY [0,1,0,0,0,0|1,0,0]=2 983 B11R1.28 CCCCNc1ccccn1 1P00CKOP [0,1,0,0,0,0|2,0,0]=3 984 B11R1.28 CCCCNc1cccnc1 1P01BVMQ [0,1,0,0,0,0|2,0,0]=3 985 B11R1.28 CCCCNc1ccncc1 1P00D2IH [0,1,0,0,0,0|2,0,0]=3 986 B11R1.28 CCCCOc1ccccc1 1P003P21 [0,1,0,0,0,0|1,0,0]=2 987 B11R1.28 CCCCOc1ccccn1 1P003I8F [0,1,0,0,0,0|2,0,0]=3 988 B11R1.28 CCCCSc1ccccc1 1P0079TG [0,1,0,0,0,0|1,0,0]=2 989 B11R1.28 CCCNCc1ccccc1 1P00296T [0,1,0,0,0,0|1,0,0]=2 990 B11R1.28 CCCNCc1ccccn1 1P006V7Q [0,1,0,0,0,0|2,0,0]=3 991 B11R1.28 CCCNCc1ccccn1 1P00JTXU [0,1,0,0,0,0|2,0,0]=3 992 B11R1.28 CCCNCc1cccnc1 1P002B71 [0,1,0,0,0,0|2,0,0]=3 993 B11R1.28 CCCNCc1cccnc1 1P0288SO [0,1,0,0,0,0|2,0,0]=3 994 B11R1.28 CCCNCc1ccncc1 1P00654U [0,1,0,0,0,0|2,0,0]=3 995 B11R1.28 CCCNCc1ccncc1 1P00JTXY [0,1,0,0,0,0|2,0,0]=3 996 B11R1.28 CCC\C=C\c1ccccc1 1P001S3B [0,1,0,0,0,0|1,0,1]=3 997 B11R1.28 CCNCCc1ccccc1 1P00ELT2 [0,1,0,0,0,0|0,0,0]=1 998 B11R1.28 CCNCCc1ccccc1 1P019M64 [0,1,0,0,0,0|0,0,0]=1 999 B11R1.28 CCNCCc1ccccn1 1P003THI [0,1,0,0,0,0|1,0,0]=2 1000 B11R1.28 CCNOCc1ccccc1 1P002G3E [0,1,0,0,0,0|1,0,0]=2 1001 B11R1.28 CCOCCc1ccccc1 1P00AP6J [0,1,0,0,0,0|1,0,0]=2 1002 B11R1.28 CCOCCc1ccccn1 1P002WIS [0,1,0,0,0,0|2,0,0]=3 1003 B11R1.28 CCONCc1ccccc1 1P01C29H [0,1,0,0,0,0|2,0,0]=3 1004 B11R1.28 CCO\C=N\c1ccccc1 1P003QWU [0,1,0,0,0,0|2,0,1]=4 1005 B11R1.28 CNCC#Cc1ccccc1 1P029306 [0,1,0,0,0,0|0,0,1]=2 1006 B11R1.28 CNCCCc1ccccc1 1P002O7F [0,1,0,0,0,0|0,0,0]=1 1007 B11R1.28 CNCCCc1ccccn1 1P001OQK [0,1,0,0,0,0|1,0,0]=2 1008 B11R1.28 CNCCNc1ccccn1 1P01DZOL [0,1,0,0,0,0|1,0,0]=2 1009 B11R1.28 CNCCOc1ccccc1 1P003TN4 [0,1,0,0,0,0|0,0,0]=1 1010 B11R1.28 CNC\C=C\c1ccccc1 1P0035UW [0,1,0,0,0,0|0,0,1]=2 1011 B11R1.28 COCCNc1ccccc1 1P01C1WU [0,1,0,0,0,0|1,0,0]=2 1012 B11R1.28 COCCNc1ccccn1 1P01FW0L [0,1,0,0,0,0|2,0,0]=3 1013 B11R1.28 COCCNc1ccncc1 1P01AIKA [0,1,0,0,0,0|2,0,0]=3 1014 B11R1.28 COCCOc1ccccc1 1P00D7EK [0,1,0,0,0,0|1,0,0]=2 1015 B11R1.28 COCCOc1cccnc1 1P024HEX [0,1,0,0,0,0|2,0,0]=3 1016 B11R1.28 COCCSc1ccccc1 1P003I0V [0,1,0,0,0,0|1,0,0]=2 1017 B11R1.28 ClCC#CCc1ccccc1 1P01DWT8 [0,1,0,0,0,0|1,0,1]=3 1018 B11R1.28 ClCCCCc1ccccc1 1P003EOX [0,1,0,0,0,0|1,0,0]=2 1019 B11R1.28 ClCCCCc1ccncc1 1P001M6V [0,1,0,0,0,0|2,0,0]=3 1020 B11R1.28 ClCCCCc1ccncc1 1P003KJL [0,1,0,0,0,0|2,0,0]=3 1021 B11R1.28 ClCCCOc1ccccc1 1P00CO1R [0,1,0,0,0,0|2,0,0]=3 1022 B11R1.28 ClCCNCc1ccccc1 1P00EA7Z [0,1,0,0,0,0|2,0,0]=3 1023 B11R1.28 ClCCOCc1ccccc1 1P003OK8 [0,1,0,0,0,0|2,0,0]=3 1024 B11R1.28 ClCCSCc1ccccc1 1P00DGAK [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.28 FCCNCc1ccccc1 1P027TSS [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.28 ICCCCc1ccccc1 1P01J3BS [0,1,0,0,0,0|1,0,0]=2 1027 B11R1.28 ICCOCc1ccccc1 1P003EH4 [0,1,0,0,0,0|2,0,0]=3 1028 B11R1.28 N#CCCCc1ccccc1 1P002A2B [0,1,0,0,0,0|1,0,1]=3 1029 B11R1.28 N#CCCNc1ccccc1 1P0038H2 [0,1,0,0,0,0|2,0,0]=3 1030 B11R1.28 N#CCCNc1cccnc1 1P009SGD [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.28 N#CCCOc1ccccc1 1P0030ZW [0,1,0,0,0,0|2,0,0]=3 1032 B11R1.28 N#CCNCc1ccccc1 1P00BJRT [0,1,0,0,0,0|2,0,0]=3 1033 B11R1.28 N#CCNCc1ccccn1 1P019UCX [0,1,0,0,0,0|3,0,0]=4 1034 B11R1.28 N#CCOCc1ccccc1 1P0080MM [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.28 N#CCSCc1ccccc1 1P001ZN8 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.28 NCCCCc1ccccc1 1P0010R7 [0,1,0,0,0,0|1,0,0]=2 1037 B11R1.28 NCCCCc1ccccc1 1P00C3J1 [0,1,0,0,0,0|1,0,0]=2 1038 B11R1.28 NCCCCc1ccccn1 1P00C6I4 [0,1,0,0,0,0|2,0,0]=3 1039 B11R1.28 NCCCCc1cccnc1 1P00G66Q [0,1,0,0,0,0|2,0,0]=3 1040 B11R1.28 NCCCCc1ccncc1 1P0286VO [0,1,0,0,0,0|2,0,0]=3 1041 B11R1.28 NCCCNc1ccccc1 1P00DLVB [0,1,0,0,0,0|2,0,0]=3 1042 B11R1.28 NCCCNc1ccccn1 1P027ZTQ [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.28 NCCCNc1ccncc1 1P00JTBX [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.28 NCCCOc1ccccc1 1P008OQY [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.28 NCCCOc1ccccc1 1P00G5UX [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.28 NCCCOc1ccccn1 1P000P5Y [0,1,0,0,0,0|3,0,0]=4 1047 B11R1.28 NCCCOc1cccnc1 1P008429 [0,1,0,0,0,0|3,0,0]=4 1048 B11R1.28 NCCCOc1ccncc1 1P01ADCO [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.28 NCCCSc1ccccc1 1P002DXM [0,1,0,0,0,0|2,0,0]=3 1050 B11R1.28 NCCCSc1ccccc1 1P00G4KQ [0,1,0,0,0,0|2,0,0]=3 1051 B11R1.28 NCCCSc1ccccn1 1P01B9Z5 [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.28 NCCNCc1ccccc1 1P003T8D [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.28 NCCNCc1ccccn1 1P002KPF [0,1,0,0,0,0|3,0,0]=4 1054 B11R1.28 NCCNCc1ccccn1 1P027IZJ [0,1,0,0,0,0|3,0,0]=4 1055 B11R1.28 NCCOCc1ccccc1 1P00381B [0,1,0,0,0,0|2,0,0]=3 1056 B11R1.28 NCCOCc1ccccc1 1P003H25 [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.28 NCCSCc1ccccc1 1P003UO3 [0,1,0,0,0,0|2,0,0]=3 1058 B11R1.28 NCCSCc1ccccc1 1P008VQA [0,1,0,0,0,0|2,0,0]=3 1059 B11R1.28 NNCCCc1ccccc1 1P01ABBG [0,1,0,0,0,0|1,0,0]=2 1060 B11R1.28 NNCCOc1ccccc1 1P00D6O2 [0,1,0,0,0,0|1,0,0]=2 1061 B11R1.28 NOCCOc1ccccc1 1P00FWZA [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.28 O=C=NCCc1ccccc1 1P003C49 [0,1,0,0,0,0|0,0,2]=3 1063 B11R1.28 O=C=NCOc1ccccc1 1P01A1XZ [0,1,0,0,0,0|1,0,2]=4 1064 B11R1.28 O=C=NCSc1ccccc1 1P0285G3 [0,1,0,0,0,0|1,0,2]=4 1065 B11R1.28 O=CCCCc1ccccc1 1P0027XM [0,1,0,0,0,0|1,0,1]=3 1066 B11R1.28 O=CCCCc1cccnc1 1P001DYB [0,1,0,0,0,0|2,0,1]=4 1067 B11R1.28 O=CCCOc1ccccc1 1P01FTPQ [0,1,0,0,0,0|2,0,0]=3 1068 B11R1.28 O=CCOCc1ccccc1 1P0036FA [0,1,0,0,0,0|2,0,0]=3 1069 B11R1.28 O=CCSCc1ccccc1 1P005AIQ [0,1,0,0,0,0|2,0,0]=3 1070 B11R1.28 O=CNCCc1ccccc1 1P002ML7 [0,1,0,0,0,0|0,0,1]=2 1071 B11R1.28 O=COCCc1ccccc1 1P003U4Q [0,1,0,0,0,0|1,0,1]=3 1072 B11R1.28 OCCC#Cc1ccccc1 1P0007L8 [0,1,0,0,0,0|1,0,2]=4 1073 B11R1.28 OCCCCc1ccccc1 1P0034LL [0,1,0,0,0,0|1,0,0]=2 1074 B11R1.28 OCCCCc1ccccn1 1P0027H1 [0,1,0,0,0,0|2,0,0]=3 1075 B11R1.28 OCCCCc1cccnc1 1P003KI6 [0,1,0,0,0,0|2,0,0]=3 1076 B11R1.28 OCCCCc1ccncc1 1P00349S [0,1,0,0,0,0|2,0,0]=3 1077 B11R1.28 OCCCNc1ccccn1 1P002F72 [0,1,0,0,0,0|3,0,0]=4 1078 B11R1.28 OCCCNc1ccncc1 1P01AB9S [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.28 OCCCNc1ccncc1 1P028CNK [0,1,0,0,0,0|3,0,0]=4 1080 B11R1.28 OCCCOc1ccccc1 1P00IBDS [0,1,0,0,0,0|2,0,0]=3 1081 B11R1.28 OCCCOc1ccncc1 1P00BBQ7 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.28 OCCCSc1ccccc1 1P00BKA5 [0,1,0,0,0,0|2,0,0]=3 1083 B11R1.28 OCCCSc1ccccn1 1P01BSED [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.28 OCCNCc1ccccc1 1P0035SZ [0,1,0,0,0,0|2,0,0]=3 1085 B11R1.28 OCCNCc1cccnc1 1P00FBHE [0,1,0,0,0,0|3,0,0]=4 1086 B11R1.28 OCCOCc1ccccc1 1P003A8A [0,1,0,0,0,0|2,0,0]=3 1087 B11R1.28 OCCOCc1ccccc1 1P01GJYO [0,1,0,0,0,0|2,0,0]=3 1088 B11R1.28 OCCSCc1ccccc1 1P00BY6S [0,1,0,0,0,0|2,0,0]=3 1089 B11R1.28 OCCSCc1ccccn1 1P01B705 [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.28 S=C=NCCc1ccccc1 1P003IC3 [0,1,0,0,0,0|0,0,2]=3 1091 B11R1.28 S=C=NCCc1ccccn1 1P01A9ST [0,1,0,0,0,0|1,0,2]=4 1092 B11R1.28 S=C=NCCc1cccnc1 1P01AAHT [0,1,0,0,0,0|1,0,2]=4 1093 B11R1.28 SCCCCc1ccccc1 1P01ADO5 [0,1,0,0,0,0|1,0,0]=2 1094 B11R1.28 SCCCOc1ccccc1 1P01A89E [0,1,0,0,0,0|2,0,0]=3 1095 B11R1.28 [N-]=[N+]=NCCc1ccccc1 1P005SFL [0,1,0,0,0,0|1,0,1]=3 1096 B11R1.28 [N-]=[N+]=NCSc1ccccc1 1P003OEO [0,1,0,0,0,0|2,0,1]=4 1097 B11R1.40 BrC(Cc1ccccc1)C#N 1P00ERAI [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.40 BrCC(=O)Cc1ccccc1 1P002JOF [0,1,0,0,0,0|2,0,1]=4 1099 B11R1.40 C#CC(=O)Cc1ccccc1 1P01A2K5 [0,1,0,0,0,0|1,0,2]=4 1100 B11R1.40 C=CC(=O)Cc1ccccc1 1P01ADIQ [0,1,0,0,0,0|1,0,2]=4 1101 B11R1.40 C=CC(Cc1ccccc1)O 1P00ENKF [0,1,0,0,0,0|1,0,1]=3 1102 B11R1.40 C=C[C@@H](Cc1ccccc1)N 1P01EV25 [0,1,0,0,0,0|1,0,1]=3 1103 B11R1.40 C=C[C@H](Cc1ccccc1)N 1P001GVE [0,1,0,0,0,0|1,0,1]=3 1104 B11R1.40 CC(NC)Cc1cnccn1 1P00GVWO [0,1,0,0,0,0|2,0,0]=3 1105 B11R1.40 CC(Nc1ccccc1)C#N 1P00BK55 [0,1,0,0,0,0|3,0,0]=4 1106 B11R1.40 CC(Oc1ccccc1)C#N 1P01AIKQ [0,1,0,0,0,0|3,0,0]=4 1107 B11R1.40 CC(Sc1ccccc1)C#N 1P01EK9I [0,1,0,0,0,0|3,0,0]=4 1108 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [0,1,0,0,0,0|1,0,1]=3 1109 B11R1.40 CCC(=O)Cc1cccnc1 1P01BIVT [0,1,0,0,0,0|2,0,1]=4 1110 B11R1.40 CCC(=O)Nc1ccccc1 1P0037QW [0,1,0,0,0,0|2,0,1]=4 1111 B11R1.40 CCC(=O)Oc1ccccc1 1P00EG93 [0,1,0,0,0,0|2,0,1]=4 1112 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [0,1,0,0,0,0|1,0,0]=2 1113 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [0,1,0,0,0,0|1,0,0]=2 1114 B11R1.40 CCC(Cc1ccncc1)Br 1P01B1VS [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.40 CCC(Cc1ccncc1)O 1P01AG8M [0,1,0,0,0,0|2,0,0]=3 1116 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [0,1,0,0,0,0|2,0,0]=3 1117 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [0,1,0,0,0,0|1,0,0]=2 1118 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [0,1,0,0,0,0|1,0,0]=2 1119 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [0,1,0,0,0,0|1,0,0]=2 1120 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [0,1,0,0,0,0|1,0,0]=2 1121 B11R1.40 CNC(=Cc1ccccc1)C 1P01B1W1 [0,1,0,0,0,0|0,0,2]=3 1122 B11R1.40 CNC(=O)Cc1ccccc1 1P00FF7Y [0,1,0,0,0,0|0,0,1]=2 1123 B11R1.40 CNC(=O)Cc1cccnc1 1P009TNL [0,1,0,0,0,0|1,0,1]=3 1124 B11R1.40 CNC(=O)Nc1ccccc1 1P008SLO [0,1,0,0,0,0|1,0,1]=3 1125 B11R1.40 CNC(=O)Oc1ccccc1 1P007S45 [0,1,0,0,0,0|1,0,1]=3 1126 B11R1.40 CNC(=S)Nc1ccccc1 1P007M3I [0,1,0,0,0,0|1,0,1]=3 1127 B11R1.40 CNC(Cc1ccccc1)O 1P00BJTS [0,1,0,0,0,0|0,0,0]=1 1128 B11R1.40 CNC(Cc1ccccn1)C 1P00D9XC [0,1,0,0,0,0|1,0,0]=2 1129 B11R1.40 COC(=N)Cc1ccccc1 1P00CMTE [0,1,0,0,0,0|1,0,1]=3 1130 B11R1.40 COC(=O)Cc1ccccc1 1P0003W2 [0,1,0,0,0,0|1,0,1]=3 1131 B11R1.40 COC(=O)Cc1ccccn1 1P001WTF [0,1,0,0,0,0|2,0,1]=4 1132 B11R1.40 COC(=O)Cc1cccnc1 1P0037QD [0,1,0,0,0,0|2,0,1]=4 1133 B11R1.40 COC(=O)Cc1ccncc1 1P0035OG [0,1,0,0,0,0|2,0,1]=4 1134 B11R1.40 COC(=O)Cc1ccncc1 1P003SCV [0,1,0,0,0,0|2,0,1]=4 1135 B11R1.40 COC(=O)Nc1ccccc1 1P002RWQ [0,1,0,0,0,0|2,0,1]=4 1136 B11R1.40 COC(=O)Oc1ccccc1 1P003SIP [0,1,0,0,0,0|2,0,1]=4 1137 B11R1.40 ClC(Cc1ccccc1)C#N 1P0026K2 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.40 ClCC(=O)Cc1ccccc1 1P0061Y1 [0,1,0,0,0,0|2,0,1]=4 1139 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.40 FC(Sc1ccccc1)C#N 1P000V5T [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.40 NC(Cc1ccccc1)C#C 1P028V90 [0,1,0,0,0,0|1,0,1]=3 1143 B11R1.40 NC(Cc1ccccc1)C#N 1P00DL1I [0,1,0,0,0,0|2,0,0]=3 1144 B11R1.40 NC(Cc1ccccc1)C#N 1P00II4N [0,1,0,0,0,0|2,0,0]=3 1145 B11R1.40 NCC(=O)Cc1ccccc1 1P00334Z [0,1,0,0,0,0|2,0,1]=4 1146 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [0,1,0,0,0,0|2,0,0]=3 1147 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [0,1,0,0,0,0|2,0,0]=3 1148 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [0,1,0,0,0,0|2,0,0]=3 1149 B11R1.40 NCC(Cc1ccccn1)C 1P01BU05 [0,1,0,0,0,0|3,0,0]=4 1150 B11R1.40 NCC(Cc1ccccn1)C 1P027VI5 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.40 NCC(Cc1cccnc1)O 1P028Y27 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.40 NCC(Nc1ccccc1)C 1P019TJC [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.40 NCC(Oc1ccccc1)C 1P003IBC [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.40 NCC(Oc1ccccc1)C 1P00IKNL [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.40 NCC(Sc1ccccc1)C 1P019SS7 [0,1,0,0,0,0|3,0,0]=4 1156 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [0,1,0,0,0,0|2,0,0]=3 1157 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [0,1,0,0,0,0|2,0,0]=3 1158 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [0,1,0,0,0,0|2,0,0]=3 1159 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [0,1,0,0,0,0|2,0,0]=3 1160 B11R1.40 NNC(=O)C[n+]1ccccc1 1P0032Z5 [0,1,0,0,0,0|2,0,1]=4 1161 B11R1.40 NNC(=O)Cc1ccccc1 1P003U67 [0,1,0,0,0,0|1,0,1]=3 1162 B11R1.40 NNC(=O)Cc1ccccn1 1P005PSM [0,1,0,0,0,0|2,0,1]=4 1163 B11R1.40 NNC(=O)Cc1cccnc1 1P002B6V [0,1,0,0,0,0|2,0,1]=4 1164 B11R1.40 NNC(=O)Cc1ccncc1 1P00FB95 [0,1,0,0,0,0|2,0,1]=4 1165 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG8 [0,1,0,0,0,0|2,0,1]=4 1166 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG9 [0,1,0,0,0,0|2,0,1]=4 1167 B11R1.40 NNC(=O)Oc1ccccc1 1P003B60 [0,1,0,0,0,0|2,0,1]=4 1168 B11R1.40 NNC(=S)Nc1ccccc1 1P003MFV [0,1,0,0,0,0|2,0,1]=4 1169 B11R1.40 NNC(Cc1ccccc1)C 1P01FJMD [0,1,0,0,0,0|1,0,0]=2 1170 B11R1.40 O=CC(Cc1ccccc1)C 1P00DKC9 [0,1,0,0,0,0|2,0,0]=3 1171 B11R1.40 O=CN(C)CC1=CC=CC=C1 1P01KHTP [0,1,0,0,0,0|3,0,0]=4 1172 B11R1.40 O=NN(Cc1ccccc1)C 1P01BJ40 [0,1,0,0,0,0|2,0,1]=4 1173 B11R1.40 OC(Cc1ccccc1)C#C 1P00DAP6 [0,1,0,0,0,0|1,0,1]=3 1174 B11R1.40 OC(Cc1ccccc1)C#N 1P006V4A [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [0,1,0,0,0,0|2,0,0]=3 1177 B11R1.40 OCC(Cc1ccccn1)N 1P01BDEZ [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.40 OCC(Cc1cccnc1)N 1P01BDC0 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.40 OCC(Cc1ccncc1)N 1P01BDD8 [0,1,0,0,0,0|3,0,0]=4 1180 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [0,1,0,0,0,0|2,0,0]=3 1182 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [0,1,0,0,0,0|2,0,0]=3 1183 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [0,1,0,0,0,0|3,0,0]=4 1184 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [0,1,0,0,0,0|2,0,0]=3 1185 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [0,1,0,0,0,0|2,0,0]=3 1186 B11R1.40 ON=C(Cc1ccccc1)Cl 1P00ICH1 [0,1,0,0,0,0|1,0,2]=4 1187 B11R1.40 ONC(=N)Cc1ccccc1 1P002G98 [0,1,0,0,0,0|1,0,1]=3 1188 B11R1.40 ONC(=N)Cc1cccnc1 1P0013TZ [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.40 ONC(=O)Cc1ccccc1 1P00DAOE [0,1,0,0,0,0|1,0,1]=3 1190 B11R1.40 ONC(=O)Oc1ccccc1 1P00CYVR [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.91 CC(=C)COc1ccccc1 1P003RYC [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.91 CC(=C)COc1cccnc1 1P01BVZD [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.91 CC(=CCc1ccccc1)C 1P0071P0 [0,1,0,0,0,0|1,0,1]=3 1194 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [0,1,0,0,0,0|2,0,0]=3 1195 B11R1.91 CC(=O)C#Cc1ccccc1 1P0023J2 [0,1,0,0,0,0|1,0,2]=4 1196 B11R1.91 CC(=O)C=Cc1ccccc1 1P0016ZQ [0,1,0,0,0,0|1,0,2]=4 1197 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [0,1,0,0,0,0|1,0,0]=2 1198 B11R1.91 CC(=O)CCc1ccccn1 1P00591V [0,1,0,0,0,0|2,0,0]=3 1199 B11R1.91 CC(=O)CCc1cccnc1 1P01BTZ4 [0,1,0,0,0,0|2,0,0]=3 1200 B11R1.91 CC(=O)CCc1ccncc1 1P01FJT3 [0,1,0,0,0,0|2,0,0]=3 1201 B11R1.91 CC(=O)COc1ccccc1 1P003U54 [0,1,0,0,0,0|2,0,0]=3 1202 B11R1.91 CC(=O)CSc1ccccc1 1P006UAN [0,1,0,0,0,0|2,0,0]=3 1203 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [0,1,0,0,0,0|2,0,0]=3 1204 B11R1.91 CC(=O)NCc1ccccn1 1P019LWA [0,1,0,0,0,0|3,0,0]=4 1205 B11R1.91 CC(=O)NCc1cccnc1 1P002M86 [0,1,0,0,0,0|3,0,0]=4 1206 B11R1.91 CC(=O)NNc1ccccc1 1P000AQR [0,1,0,0,0,0|3,0,0]=4 1207 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [0,1,0,0,0,0|2,0,0]=3 1208 B11R1.91 CC(=O)OCc1ccccn1 1P000353 [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.91 CC(=O)OCc1cccnc1 1P00036I [0,1,0,0,0,0|3,0,0]=4 1210 B11R1.91 CC(=O)SCc1ccccc1 1P00C8DO [0,1,0,0,0,0|2,0,0]=3 1211 B11R1.91 CC(=O)\C=C\c1ccccc1 1P002E97 [0,1,0,0,0,0|1,0,2]=4 1212 B11R1.91 CC(C#Cc1ccccc1)O 1P00IAWU [0,1,0,0,0,0|1,0,2]=4 1213 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [0,1,0,0,0,0|1,0,0]=2 1214 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [0,1,0,0,0,0|1,0,0]=2 1215 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [0,1,0,0,0,0|1,0,0]=2 1216 B11R1.91 CC(CCc1ccccn1)N 1P028K2L [0,1,0,0,0,0|2,0,0]=3 1217 B11R1.91 CC(CCc1ccccn1)O 1P01EMUJ [0,1,0,0,0,0|2,0,0]=3 1218 B11R1.91 CC(CCc1cccnc1)N 1P01ZZDK [0,1,0,0,0,0|2,0,0]=3 1219 B11R1.91 CC(CCc1nccnc1)C 1P003A0B [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.91 CC(CNc1ccccc1)C 1P01BBFJ [0,1,0,0,0,0|2,0,0]=3 1221 B11R1.91 CC(CNc1ccccc1)N 1P01AHZV [0,1,0,0,0,0|2,0,0]=3 1222 B11R1.91 CC(CNc1ccccc1)O 1P01A8L3 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.91 CC(CNc1cccnc1)C 1P01A521 [0,1,0,0,0,0|3,0,0]=4 1224 B11R1.91 CC(COc1ccccc1)Cl 1P003F26 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.91 CC(COc1ccccc1)N 1P00B4N7 [0,1,0,0,0,0|2,0,0]=3 1226 B11R1.91 CC(COc1ccccc1)N 1P00CASM [0,1,0,0,0,0|2,0,0]=3 1227 B11R1.91 CC(COc1ccccc1)O 1P003BIN [0,1,0,0,0,0|2,0,0]=3 1228 B11R1.91 CC(COc1cccnc1)C 1P01BVON [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.91 CC(CSc1ccccc1)N 1P01ASU9 [0,1,0,0,0,0|2,0,0]=3 1230 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [0,1,0,0,0,0|2,0,0]=3 1231 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.91 CC(NCc1ccccn1)C 1P00F2A1 [0,1,0,0,0,0|3,0,0]=4 1233 B11R1.91 CC(NCc1cccnc1)C 1P002B72 [0,1,0,0,0,0|3,0,0]=4 1234 B11R1.91 CC(NCc1cccnc1)C 1P00J3HX [0,1,0,0,0,0|3,0,0]=4 1235 B11R1.91 CC(NCc1ccncc1)C 1P00ICGY [0,1,0,0,0,0|3,0,0]=4 1236 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [0,1,0,0,0,0|2,0,0]=3 1237 B11R1.91 CN(C=Nc1ccccc1)C 1P0026DM [0,1,0,0,0,0|1,0,1]=3 1238 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [0,1,0,0,0,0|0,0,0]=1 1239 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [0,1,0,0,0,0|0,0,0]=1 1240 B11R1.91 CN(CCc1ccccn1)C 1P003F88 [0,1,0,0,0,0|1,0,0]=2 1241 B11R1.91 CN(NCc1ccccc1)C 1P005L63 [0,1,0,0,0,0|1,0,0]=2 1242 B11R1.91 CN(\C=C\c1ccccn1)C 1P0013SP [0,1,0,0,0,0|1,0,2]=4 1243 B11R1.91 C[C@@H](C=Cc1ccccc1)O 1P005S8J [0,1,0,0,0,0|1,0,2]=4 1244 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [0,1,0,0,0,0|1,0,0]=2 1245 B11R1.91 C[C@@H](COc1ccccc1)N 1P028UI7 [0,1,0,0,0,0|2,0,0]=3 1246 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [0,1,0,0,0,0|1,0,0]=2 1247 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [0,1,0,0,0,0|1,0,0]=2 1248 B11R1.91 C[C@H](COc1ccccc1)N 1P028USB [0,1,0,0,0,0|2,0,0]=3 1249 B11R1.91 C[C@H](\C=C\c1ccccc1)O 1P01J4Q9 [0,1,0,0,0,0|1,0,2]=4 1250 B11R1.91 ClC(=C)CSc1ccccc1 1P01EME7 [0,1,0,0,0,0|2,0,1]=4 1251 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [0,1,0,0,0,0|2,0,0]=3 1252 B11R1.91 ClC(=O)COc1ccccc1 1P003U56 [0,1,0,0,0,0|3,0,0]=4 1253 B11R1.91 FC(CNc1ccccc1)F 1P019UDQ [0,1,0,0,0,0|3,0,0]=4 1254 B11R1.91 FC(CNc1ccccc1)F 1P01AESB [0,1,0,0,0,0|3,0,0]=4 1255 B11R1.91 FC(SCc1ccccc1)F 1P005MTU [0,1,0,0,0,0|3,0,0]=4 1256 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [0,1,0,0,0,0|2,0,0]=3 1257 B11R1.91 NC(=N)COc1ccccc1 1P003IB1 [0,1,0,0,0,0|3,0,0]=4 1258 B11R1.91 NC(=N)CSc1ccccc1 1P004RQX [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [0,1,0,0,0,0|3,0,0]=4 1260 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [0,1,0,0,0,0|3,0,0]=4 1261 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [0,1,0,0,0,0|3,0,0]=4 1262 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [0,1,0,0,0,0|3,0,0]=4 1263 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [0,1,0,0,0,0|3,0,0]=4 1264 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [0,1,0,0,0,0|2,0,0]=3 1265 B11R1.91 NC(=O)CCc1cccnc1 1P004YZ2 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.91 NC(=O)CCc1ccncc1 1P00IDTF [0,1,0,0,0,0|3,0,0]=4 1267 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [0,1,0,0,0,0|3,0,0]=4 1268 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [0,1,0,0,0,0|3,0,0]=4 1269 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [0,1,0,0,0,0|3,0,0]=4 1270 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [0,1,0,0,0,0|3,0,0]=4 1271 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [0,1,0,0,0,0|3,0,0]=4 1272 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.91 NC(=S)COc1ccccc1 1P003IBE [0,1,0,0,0,0|3,0,0]=4 1274 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.91 OB(CCc1ccccc1)O 1P0035XH [0,1,0,0,0,0|2,0,0]=3 1277 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [0,1,0,0,0,0|2,0,0]=3 1278 B11R1.91 OC(=O)CCc1ccccn1 1P003II5 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.91 OC(=O)CCc1ccccn1 1P01BEQE [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.91 OC(=O)CCc1cccnc1 1P003IJC [0,1,0,0,0,0|3,0,0]=4 1281 B11R1.91 OC(=O)CCc1ccncc1 1P0039U4 [0,1,0,0,0,0|3,0,0]=4 1282 B11R1.91 OC(=O)CNc1ccccc1 1P003TRX [0,1,0,0,0,0|3,0,0]=4 1283 B11R1.91 OC(=O)COc1ccccc1 1P0016ZP [0,1,0,0,0,0|3,0,0]=4 1284 B11R1.91 OC(=O)CSc1ccccc1 1P003CIK [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [0,1,0,0,0,0|2,0,0]=3 1286 B11R1.91 [O-]C(=O)CNc1ccccc1 1P003TRZ [0,1,0,0,0,0|3,0,0]=4 1287 B11R1.91 [O-]C(=O)COc1ccccc1 1P003UU9 [0,1,0,0,0,0|3,0,0]=4 1288 B11R1.91 [O-]C(=O)COc1ccccc1 1P00I6DB [0,1,0,0,0,0|3,0,0]=4 1289 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [0,1,0,0,0,0|2,0,0]=3 1290 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [0,1,0,0,0,0|1,0,1]=3 1291 B11R1.91 [S-]C(=S)NCc1ccccc1 1P01EI8C [0,1,0,0,0,0|3,0,0]=4 1292 B9R0.45 CCCCC\C=C\CC=C 1P028052 [0,0,1,0,0,0|1,0,2]=4 1293 B9R0.45 CCCC\C=C\C=C\C=O 1P00IM07 [0,0,1,0,0,0|2,0,0]=3 1294 B11R2.1 C=C1CCc2c1cccc2 1P000J6F [0,0,0,1,0,0|1,0,1]=3 1295 B11R2.1 CC1=CCc2c1cccc2 1P005V74 [0,0,0,1,0,0|1,0,1]=3 1296 B11R2.1 CC1CCc2c1cccc2 1P003AUM [0,0,0,1,0,0|1,0,0]=2 1297 B11R2.1 CC1CCc2c1nccn2 1P006VKY [0,0,0,1,0,0|3,0,0]=4 1298 B11R2.1 CC1CNc2c1cccc2 1P0039RW [0,0,0,1,0,0|2,0,0]=3 1299 B11R2.1 CC1CNc2c1cccc2 1P0073LH [0,0,0,1,0,0|2,0,0]=3 1300 B11R2.1 CC1CNc2c1ccnc2 1P028ISK [0,0,0,1,0,0|3,0,0]=4 1301 B11R2.1 CC1CNc2c1nccc2 1P028GS8 [0,0,0,1,0,0|3,0,0]=4 1302 B11R2.1 CC1COc2c1cccc2 1P008041 [0,0,0,1,0,0|2,0,0]=3 1303 B11R2.1 CC1NCc2c1cccc2 1P01A6S1 [0,0,0,1,0,0|2,0,0]=3 1304 B11R2.1 CN1CCc2c1cccc2 1P00G9YK [0,0,0,1,0,0|0,0,0]=1 1305 B11R2.1 CN1CCc2c1ccnc2 1P00BHT0 [0,0,0,1,0,0|1,0,0]=2 1306 B11R2.1 C[C@@H]1NCc2c1cccc2 1P01B7VV [0,0,0,1,0,0|2,0,0]=3 1307 B11R2.1 C[C@H]1NCc2c1cccc2 1P01B7MO [0,0,0,1,0,0|2,0,0]=3 1308 B11R2.1 C[n+]1csc2c1cccc2 1P002VFJ [0,0,0,1,0,0|1,0,2]=4 1309 B11R2.1 Cc1[nH]nc2c1cccc2 1P00J2W9 [0,0,0,1,0,0|3,0,0]=4 1310 B11R2.1 Cc1[nH]nc2c1cccc2 1P01B6UF [0,0,0,1,0,0|3,0,0]=4 1311 B11R2.1 Cc1c[nH]c2c1cccc2 1P003K87 [0,0,0,1,0,0|2,0,1]=4 1312 B11R2.1 Cc1coc2c1cccc2 1P003K54 [0,0,0,1,0,0|2,0,1]=4 1313 B11R2.1 Cc1csc2c1cccc2 1P001DL4 [0,0,0,1,0,0|2,0,1]=4 1314 B11R2.1 Cc1n[nH]c2c1cccc2 1P00I6HC [0,0,0,1,0,0|3,0,0]=4 1315 B11R2.1 Cc1noc2c1cccc2 1P00347Z [0,0,0,1,0,0|3,0,0]=4 1316 B11R2.1 Cc1onc2c1cccc2 1P01FM41 [0,0,0,1,0,0|3,0,0]=4 1317 B11R2.1 ClC1CCc2c1cccc2 1P00C7HS [0,0,0,1,0,0|2,0,0]=3 1318 B11R2.1 Cln1nnc2c1cccc2 1P002LAZ [0,0,0,1,0,0|3,0,0]=4 1319 B11R2.1 Cn1ccc2c1cccc2 1P003EZD [0,0,0,1,0,0|0,0,2]=3 1320 B11R2.1 Cn1ccc2c1cccn2 1P00B3AF [0,0,0,1,0,0|1,0,2]=4 1321 B11R2.1 Cn1ccc2c1ccnc2 1P01CAOZ [0,0,0,1,0,0|1,0,2]=4 1322 B11R2.1 Cn1ccc2c1nccc2 1P007LSI [0,0,0,1,0,0|1,0,2]=4 1323 B11R2.1 Cn1cnc2c1cccc2 1P001UBI [0,0,0,1,0,0|1,0,1]=3 1324 B11R2.1 Cn1cnc2c1cccn2 1P0076UO [0,0,0,1,0,0|2,0,1]=4 1325 B11R2.1 Cn1cnc2c1ccnc2 1P00E0Y1 [0,0,0,1,0,0|2,0,1]=4 1326 B11R2.1 Cn1cnc2c1cncc2 1P00FUAL [0,0,0,1,0,0|2,0,1]=4 1327 B11R2.1 Cn1cnc2c1nccc2 1P00FDM5 [0,0,0,1,0,0|2,0,1]=4 1328 B11R2.1 Cn1ncc2c1cccc2 1P007166 [0,0,0,1,0,0|1,0,1]=3 1329 B11R2.1 Cn1nnc2c1cccc2 1P003EXP [0,0,0,1,0,0|2,0,0]=3 1330 B11R2.1 Cn1nnc2c1ccnc2 1P00F1TH [0,0,0,1,0,0|3,0,0]=4 1331 B11R2.1 NC1=NCc2c1cccc2 1P003JAG [0,0,0,1,0,0|3,0,0]=4 1332 B11R2.1 NC1=NCc2c1cccc2 1P00G3KS [0,0,0,1,0,0|3,0,0]=4 1333 B11R2.1 NC1CCc2c1cccc2 1P003EEO [0,0,0,1,0,0|2,0,0]=3 1334 B11R2.1 NC1CCc2c1cccc2 1P003EEP [0,0,0,1,0,0|2,0,0]=3 1335 B11R2.1 NC1CCc2c1cccn2 1P009315 [0,0,0,1,0,0|3,0,0]=4 1336 B11R2.1 NC1CCc2c1nccc2 1P009316 [0,0,0,1,0,0|3,0,0]=4 1337 B11R2.1 NC1COc2c1cccc2 1P003B2V [0,0,0,1,0,0|3,0,0]=4 1338 B11R2.1 NC1CSc2c1cccc2 1P01AJV3 [0,0,0,1,0,0|3,0,0]=4 1339 B11R2.1 NN1CCc2c1cccc2 1P00G2ST [0,0,0,1,0,0|1,0,0]=2 1340 B11R2.1 NN1CCc2c1cccc2 1P00GVUT [0,0,0,1,0,0|1,0,0]=2 1341 B11R2.1 N[C@@H]1CCc2c1cccc2 1P0008SL [0,0,0,1,0,0|2,0,0]=3 1342 B11R2.1 N[C@@H]1CCc2c1cccc2 1P0086LZ [0,0,0,1,0,0|2,0,0]=3 1343 B11R2.1 N[C@@H]1CCc2c1nccc2 1P01KL2G [0,0,0,1,0,0|3,0,0]=4 1344 B11R2.1 N[C@@H]1CCc2c1nccc2 1P024HCH [0,0,0,1,0,0|3,0,0]=4 1345 B11R2.1 N[C@@H]1COc2c1cccc2 1P01B9VO [0,0,0,1,0,0|3,0,0]=4 1346 B11R2.1 N[C@H]1CCc2c1cccc2 1P0032X1 [0,0,0,1,0,0|2,0,0]=3 1347 B11R2.1 N[C@H]1CCc2c1cccc2 1P00IBB5 [0,0,0,1,0,0|2,0,0]=3 1348 B11R2.1 N[C@H]1CCc2c1cccn2 1P024TYR [0,0,0,1,0,0|3,0,0]=4 1349 B11R2.1 N[C@H]1COc2c1cccc2 1P00232H [0,0,0,1,0,0|3,0,0]=4 1350 B11R2.1 Nn1ccc2c1cccc2 1P003EV4 [0,0,0,1,0,0|1,0,2]=4 1351 B11R2.1 Nn1cnc2c1cccc2 1P00ED6A [0,0,0,1,0,0|2,0,1]=4 1352 B11R2.1 Nn1ncc2c1cccc2 1P007GO8 [0,0,0,1,0,0|2,0,1]=4 1353 B11R2.1 Nn1nnc2c1cccc2 1P001SWT [0,0,0,1,0,0|3,0,0]=4 1354 B11R2.1 O=C1CCc2c1cccn2 1P00172D [0,0,0,1,0,0|3,0,0]=4 1355 B11R2.1 O=C1CCc2c1cccn2 1P002W77 [0,0,0,1,0,0|3,0,0]=4 1356 B11R2.1 O=C1CCc2c1ccnc2 1P007GGJ [0,0,0,1,0,0|3,0,0]=4 1357 B11R2.1 O=C1CCc2c1cncc2 1P0037KQ [0,0,0,1,0,0|3,0,0]=4 1358 B11R2.1 O=C1CCc2c1nccc2 1P003MQQ [0,0,0,1,0,0|3,0,0]=4 1359 B11R2.1 O=C1COc2c1cccc2 1P00345D [0,0,0,1,0,0|3,0,0]=4 1360 B11R2.1 O=C1CSc2c1cccc2 1P000UBJ [0,0,0,1,0,0|3,0,0]=4 1361 B11R2.1 O=C1NCc2c1cccc2 1P0035II [0,0,0,1,0,0|3,0,0]=4 1362 B11R2.1 O=C1OCc2c1cccc2 1P003U89 [0,0,0,1,0,0|3,0,0]=4 1363 B11R2.1 O=C1SCc2c1cccc2 1P000J6E [0,0,0,1,0,0|3,0,0]=4 1364 B11R2.1 OB1OCc2c1cccc2 1P00E9RD [0,0,0,1,0,0|3,0,0]=4 1365 B11R2.1 OC1CCc2c1cccc2 1P003EVW [0,0,0,1,0,0|2,0,0]=3 1366 B11R2.1 OC1CCc2c1cccn2 1P008SIZ [0,0,0,1,0,0|3,0,0]=4 1367 B11R2.1 OC1CCc2c1nccc2 1P003NHM [0,0,0,1,0,0|3,0,0]=4 1368 B11R2.1 OC1COc2c1cccc2 1P01A26G [0,0,0,1,0,0|3,0,0]=4 1369 B11R2.1 O[C@@H]1CCc2c1cccc2 1P003CPA [0,0,0,1,0,0|2,0,0]=3 1370 B11R2.1 O[C@@H]1CCc2c1cccn2 1P00NMHB [0,0,0,1,0,0|3,0,0]=4 1371 B11R2.1 O[C@@H]1CCc2c1nccc2 1P00H2SR [0,0,0,1,0,0|3,0,0]=4 1372 B11R2.1 O[C@@H]1CSc2c1cccc2 1P001YCG [0,0,0,1,0,0|3,0,0]=4 1373 B11R2.1 O[C@H]1CCc2c1cccc2 1P0032WK [0,0,0,1,0,0|2,0,0]=3 1374 B11R2.1 O[C@H]1CCc2c1cccn2 1P00QDE8 [0,0,0,1,0,0|3,0,0]=4 1375 B11R2.1 O[C@H]1CCc2c1nccc2 1P008BKB [0,0,0,1,0,0|3,0,0]=4 1376 B11R2.1 SC1CCc2c1cccc2 1P0015VF [0,0,0,1,0,0|2,0,0]=3 1377 B11R2.1 [O-]n1nnc2c1cccc2 1P003B35 [0,0,0,1,0,0|3,0,0]=4 1378 B11R2.4 BrC1CC1c2ccccc2 1P00CRS3 [0,0,0,1,0,0|2,0,0]=3 1379 B11R2.4 Br[C@@H]1C[C@H]1c2ccccc2 1P01BA83 [0,0,0,1,0,0|2,0,0]=3 1380 B11R2.4 CC1CC1c2ccccc2 1P00QGSY [0,0,0,1,0,0|1,0,0]=2 1381 B11R2.4 CC1CC1c2ccncc2 1P01EYE6 [0,0,0,1,0,0|2,0,0]=3 1382 B11R2.4 CC1NC1c2ccccc2 1P005T2D [0,0,0,1,0,0|2,0,0]=3 1383 B11R2.4 CN1C[C@@H]1c2ccccc2 1P01EJ8O [0,0,0,1,0,0|0,0,0]=1 1384 B11R2.4 CN1C[C@H]1c2ccccc2 1P01EJ96 [0,0,0,1,0,0|0,0,0]=1 1385 B11R2.4 NC1CC1c2ccccc2 1P00E0CT [0,0,0,1,0,0|2,0,0]=3 1386 B11R2.4 NC1CC1c2ccccc2 1P00EKHZ [0,0,0,1,0,0|2,0,0]=3 1387 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 1P01JUMX [0,0,0,1,0,0|2,0,0]=3 1388 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P002C46 [0,0,0,1,0,0|2,0,0]=3 1389 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P0036EW [0,0,0,1,0,0|2,0,0]=3 1390 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P009AYV [0,0,0,1,0,0|2,0,0]=3 1391 B11R2.4 N[C@H]1CC1c2ccccc2 1P00DK73 [0,0,0,1,0,0|2,0,0]=3 1392 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 1P003AUO [0,0,0,1,0,0|2,0,0]=3 1393 B11R2.4 N[C@H]1C[C@@H]1c2cccnc2 1P00JQJ5 [0,0,0,1,0,0|3,0,0]=4 1394 B11R2.4 N[C@H]1C[C@H]1c2ccccc2 1P00DDXS [0,0,0,1,0,0|2,0,0]=3 1395 B11R2.20 C1=Cc2c(CC1)cccc2 1P003DV3 [0,0,0,1,0,0|1,0,1]=3 1396 B11R2.20 C1=Cc2c(OC1)cccc2 1P007NRW [0,0,0,1,0,0|2,0,1]=4 1397 B11R2.20 C1=NCc2c(N1)cccc2 1P0289Z9 [0,0,0,1,0,0|1,0,2]=4 1398 B11R2.20 C1C=Cc2c(C1)cccn2 1P007O8X [0,0,0,1,0,0|2,0,1]=4 1399 B11R2.20 C1CCc2c(C1)cccc2 1P000PGN [0,0,0,1,0,0|1,0,0]=2 1400 B11R2.20 C1CCc2c(C1)cncc2 1P003MPY [0,0,0,1,0,0|2,0,0]=3 1401 B11R2.20 C1CCc2c(C1)nccc2 1P003MQ0 [0,0,0,1,0,0|2,0,0]=3 1402 B11R2.20 C1CCc2c(C1)nccn2 1P00BXRL [0,0,0,1,0,0|3,0,0]=4 1403 B11R2.20 C1CCc2c(N1)cccc2 1P003DQY [0,0,0,1,0,0|2,0,0]=3 1404 B11R2.20 C1CCc2c(O1)cccc2 1P00DBP3 [0,0,0,1,0,0|2,0,0]=3 1405 B11R2.20 C1CNc2c(C1)cccn2 1P003DQK [0,0,0,1,0,0|3,0,0]=4 1406 B11R2.20 C1CNc2c(C1)ccnc2 1P009I2K [0,0,0,1,0,0|3,0,0]=4 1407 B11R2.20 C1CNc2c(C1)ccnc2 1P028GXO [0,0,0,1,0,0|3,0,0]=4 1408 B11R2.20 C1CNc2c(C1)cncc2 1P003DQJ [0,0,0,1,0,0|3,0,0]=4 1409 B11R2.20 C1CNc2c(C1)nccc2 1P003DQI [0,0,0,1,0,0|3,0,0]=4 1410 B11R2.20 C1CNc2c(N1)cccc2 1P00BZXB [0,0,0,1,0,0|3,0,0]=4 1411 B11R2.20 C1CNc2c(O1)cccc2 1P003IXZ [0,0,0,1,0,0|3,0,0]=4 1412 B11R2.20 C1CNc2c(S1)cccc2 1P0031SR [0,0,0,1,0,0|3,0,0]=4 1413 B11R2.20 C1COc2c(C1)cccn2 1P002SZW [0,0,0,1,0,0|3,0,0]=4 1414 B11R2.20 C1COc2c(C1)nccc2 1P00FDQH [0,0,0,1,0,0|3,0,0]=4 1415 B11R2.20 C1COc2c(O1)cccc2 1P003E31 [0,0,0,1,0,0|3,0,0]=4 1416 B11R2.20 C1COc2c(S1)cccc2 1P01AL87 [0,0,0,1,0,0|3,0,0]=4 1417 B11R2.20 C1NCc2c(C1)cccn2 1P0038HV [0,0,0,1,0,0|1,0,0]=2 1418 B11R2.20 C1NCc2c(C1)cccn2 1P007N5A [0,0,0,1,0,0|1,0,0]=2 1419 B11R2.20 C1NCc2c(C1)cccn2 1P009D1X [0,0,0,1,0,0|1,0,0]=2 1420 B11R2.20 C1NCc2c(C1)cncn2 1P002GW2 [0,0,0,1,0,0|2,0,0]=3 1421 B11R2.20 C1NCc2c(C1)cncn2 1P005OZT [0,0,0,1,0,0|2,0,0]=3 1422 B11R2.20 C1NCc2c(C1)nccc2 1P003MPT [0,0,0,1,0,0|1,0,0]=2 1423 B11R2.20 C1NCc2c(C1)nccc2 1P00CLBZ [0,0,0,1,0,0|1,0,0]=2 1424 B11R2.20 C1NCc2c(C1)nccc2 1P00IDM2 [0,0,0,1,0,0|1,0,0]=2 1425 B11R2.20 C1NCc2c(C1)ncnc2 1P001PU5 [0,0,0,1,0,0|2,0,0]=3 1426 B11R2.20 C1NCc2c(C1)ncnc2 1P002GW5 [0,0,0,1,0,0|2,0,0]=3 1427 B11R2.20 C1NCc2c(C1)ncnc2 1P002LBC [0,0,0,1,0,0|2,0,0]=3 1428 B11R2.20 C1NCc2c(C1)nncc2 1P028LT7 [0,0,0,1,0,0|2,0,0]=3 1429 B11R2.20 N1CCc2c(C1)cccc2 1P003DQW [0,0,0,1,0,0|0,0,0]=1 1430 B11R2.20 N1CCc2c(C1)ccnc2 1P0038JA [0,0,0,1,0,0|1,0,0]=2 1431 B11R2.20 N1CCc2c(C1)ccnc2 1P0039KI [0,0,0,1,0,0|1,0,0]=2 1432 B11R2.20 N1CCc2c(C1)cncc2 1P00801F [0,0,0,1,0,0|1,0,0]=2 1433 B11R2.20 N1CCc2c(C1)cncc2 1P00DK7R [0,0,0,1,0,0|1,0,0]=2 1434 B11R2.20 N1CCc2c(C1)nccn2 1P00CJQG [0,0,0,1,0,0|2,0,0]=3 1435 B11R2.20 N1CCc2c(C1)nccn2 1P027WTT [0,0,0,1,0,0|2,0,0]=3 1436 B11R2.20 N1NCc2c(C1)cccc2 1P003DQX [0,0,0,1,0,0|1,0,0]=2 1437 B11R2.20 N1NCc2c(C1)cccc2 1P01AMTK [0,0,0,1,0,0|1,0,0]=2 1438 B11R2.20 O1CCc2c(C1)cccc2 1P003RK8 [0,0,0,1,0,0|1,0,0]=2 1439 B11R2.20 O1CCc2c(C1)cncc2 1P028XZB [0,0,0,1,0,0|2,0,0]=3 1440 B11R2.20 O1NCc2c(C1)cccc2 1P01BB40 [0,0,0,1,0,0|1,0,0]=2 1441 B11R2.20 c1ccc2c(c1)C=NCC2 1P00C0VZ [0,0,0,1,0,0|0,0,2]=3 1442 B11R2.238 C1CC1Cc2ccccc2 1P001XDJ [0,0,0,1,0,0|1,0,0]=2 1443 B11R2.238 C1CC1Nc2ccccc2 1P00CHSB [0,0,0,1,0,0|2,0,0]=3 1444 B11R2.238 C1CC1Nc2ccncc2 1P01BI31 [0,0,0,1,0,0|3,0,0]=4 1445 B11R2.238 C1CC1Sc2ccccc2 1P001EDN [0,0,0,1,0,0|2,0,0]=3 1446 B11R2.238 N1CC1Cc2ccccc2 1P001AL5 [0,0,0,1,0,0|0,0,0]=1 1447 B11R2.238 N1C[C@@H]1Cc2ccccc2 1P003D1R [0,0,0,1,0,0|0,0,0]=1 1448 B11R2.238 O1CC1Cc2ccccc2 1P00D8Y6 [0,0,0,1,0,0|1,0,0]=2 1449 B11R2.238 O1C[C@@H]1Cc2ccccc2 1P01IZ8T [0,0,0,1,0,0|1,0,0]=2 1450 B11R2.238 O1C[C@H]1Cc2ccccc2 1P006BHY [0,0,0,1,0,0|1,0,0]=2 1451 B11R2.238 c1ccc(cc1)C=C2CC2 1P005KLZ [0,0,0,1,0,0|1,0,2]=4 1452 B11R2.238 c1ccc(cn1)NC2CC2 1P00D5LO [0,0,0,1,0,0|3,0,0]=4 1453 B11R2.239 C1CC(C1)c2ccccc2 1P00E02O [0,0,0,1,0,0|1,0,0]=2 1454 B11R2.239 C1CC(N1)c2ccccc2 1P007ONK [0,0,0,1,0,0|2,0,0]=3 1455 B11R2.239 C1CC(O1)c2ccccc2 1P00E03O [0,0,0,1,0,0|2,0,0]=3 1456 B11R2.239 C1C[C@H](N1)c2ccccc2 1P028F5A [0,0,0,1,0,0|2,0,0]=3 1457 B11R2.239 N1CC(C1)c2ccccc2 1P00D8JP [0,0,0,1,0,0|0,0,0]=1 1458 B11R2.239 N1CC(C1)c2ccccc2 1P00G7HV [0,0,0,1,0,0|0,0,0]=1 1459 B11R2.239 N1CC(C1)c2ccccn2 1P002IYO [0,0,0,1,0,0|1,0,0]=2 1460 B11R2.239 N1CC(C1)c2ccccn2 1P01BYCH [0,0,0,1,0,0|1,0,0]=2 1461 B11R2.239 N1CC(C1)c2cccnc2 1P000LDY [0,0,0,1,0,0|1,0,0]=2 1462 B11R2.239 N1CC(C1)c2ccncc2 1P000LDZ [0,0,0,1,0,0|1,0,0]=2 1463 B11R2.239 N1CC(C1)c2ccncn2 1P0019L8 [0,0,0,1,0,0|2,0,0]=3 1464 B11R2.239 N1CC(C1)c2cncnc2 1P01S2AH [0,0,0,1,0,0|2,0,0]=3 1465 B11R2.239 N1CC(C1)c2ncccn2 1P01DL9U [0,0,0,1,0,0|2,0,0]=3 1466 B11R2.239 N1CC(C1)c2ncccn2 1P020M8L [0,0,0,1,0,0|2,0,0]=3 1467 B11R2.239 N1CC(C1)c2nccnc2 1P00HHUI [0,0,0,1,0,0|2,0,0]=3 1468 B11R2.239 O1CC(C1)c2ccccc2 1P007YJ3 [0,0,0,1,0,0|1,0,0]=2 1469 B11R2.988 BrCC1Cc2c1cccc2 1P027V2N [0,0,0,1,0,0|2,0,0]=3 1470 B11R2.988 NCC1Cc2c1cccc2 1P0002MH [0,0,0,1,0,0|2,0,0]=3 1471 B11R2.988 O=CC1Cc2c1cccc2 1P005DML [0,0,0,1,0,0|2,0,0]=3 1472 B11R2.988 OCC1Cc2c1cccc2 1P001NH8 [0,0,0,1,0,0|2,0,0]=3 1473 B9R1.12 BrCCCc1cccs1 1P01BL7U [0,0,0,0,1,0|3,0,0]=4 1474 B9R1.12 BrCCCc1cocc1 1P01BL8R [0,0,0,0,1,0|3,0,0]=4 1475 B9R1.12 BrCCCc1cscc1 1P01A6PE [0,0,0,0,1,0|3,0,0]=4 1476 B9R1.12 BrCCCn1cccc1 1P0003AU [0,0,0,0,1,0|3,0,0]=4 1477 B9R1.12 C#CCCc1ccco1 1P01XIDT [0,0,0,0,1,0|2,0,1]=4 1478 B9R1.12 CCCCc1ccco1 1P003HAJ [0,0,0,0,1,0|2,0,0]=3 1479 B9R1.12 CCCCc1cccs1 1P001DL3 [0,0,0,0,1,0|2,0,0]=3 1480 B9R1.12 CCCCc1cnco1 1P00556R [0,0,0,0,1,0|3,0,0]=4 1481 B9R1.12 CCCCc1cscc1 1P003JMD [0,0,0,0,1,0|2,0,0]=3 1482 B9R1.12 CCCCc1ncc[nH]1 1P00DCX4 [0,0,0,0,1,0|3,0,0]=4 1483 B9R1.12 CCCCn1cccn1 1P00DSOY [0,0,0,0,1,0|3,0,0]=4 1484 B9R1.12 CCCCn1cncc1 1P003ENC [0,0,0,0,1,0|3,0,0]=4 1485 B9R1.12 CCNCc1ccco1 1P001KUX [0,0,0,0,1,0|3,0,0]=4 1486 B9R1.12 CCNCc1ccco1 1P019NKP [0,0,0,0,1,0|3,0,0]=4 1487 B9R1.12 CCNCc1cccs1 1P003TG0 [0,0,0,0,1,0|3,0,0]=4 1488 B9R1.12 CCNCc1cccs1 1P019LNO [0,0,0,0,1,0|3,0,0]=4 1489 B9R1.12 CCNCc1cocc1 1P01A9Y0 [0,0,0,0,1,0|3,0,0]=4 1490 B9R1.12 CCNCc1cscc1 1P027TQF [0,0,0,0,1,0|3,0,0]=4 1491 B9R1.12 CCOCc1ccco1 1P0037LZ [0,0,0,0,1,0|3,0,0]=4 1492 B9R1.12 CNCCc1[nH]cnc1 1P001VOS [0,0,0,0,1,0|2,0,0]=3 1493 B9R1.12 CNCCc1c[nH]nc1 1P005ZGX [0,0,0,0,1,0|2,0,0]=3 1494 B9R1.12 CNCCc1c[nH]nc1 1P00J3TC [0,0,0,0,1,0|2,0,0]=3 1495 B9R1.12 CNCCc1cc[nH]n1 1P028QZ7 [0,0,0,0,1,0|2,0,0]=3 1496 B9R1.12 CNCCc1cccs1 1P0083BL [0,0,0,0,1,0|1,0,0]=2 1497 B9R1.12 CNCCc1nccs1 1P01A2UB [0,0,0,0,1,0|2,0,0]=3 1498 B9R1.12 CNCCc1nocn1 1P00J31N [0,0,0,0,1,0|3,0,0]=4 1499 B9R1.12 CNCCn1cccn1 1P01AHTQ [0,0,0,0,1,0|2,0,0]=3 1500 B9R1.12 CNCCn1ccnn1 1P028PGX [0,0,0,0,1,0|3,0,0]=4 1501 B9R1.12 CNCCn1cncc1 1P00J3M1 [0,0,0,0,1,0|2,0,0]=3 1502 B9R1.12 CNCCn1cnnc1 1P01A00L [0,0,0,0,1,0|3,0,0]=4 1503 B9R1.12 COCCc1c[nH]nc1 1P028WAN [0,0,0,0,1,0|3,0,0]=4 1504 B9R1.12 COCCc1cccs1 1P0284DO [0,0,0,0,1,0|2,0,0]=3 1505 B9R1.12 COCCn1cccn1 1P01A1WG [0,0,0,0,1,0|3,0,0]=4 1506 B9R1.12 COCCn1cncc1 1P01A1VS [0,0,0,0,1,0|3,0,0]=4 1507 B9R1.12 CSSCc1ccco1 1P003SGX [0,0,0,0,1,0|3,0,0]=4 1508 B9R1.12 FCCCn1cccc1 1P028IU2 [0,0,0,0,1,0|3,0,0]=4 1509 B9R1.12 ICCCc1cccs1 1P01FSKP [0,0,0,0,1,0|3,0,0]=4 1510 B9R1.12 N#CCCc1ccco1 1P019UDZ [0,0,0,0,1,0|3,0,0]=4 1511 B9R1.12 N#CCCn1cccc1 1P00DF3W [0,0,0,0,1,0|3,0,0]=4 1512 B9R1.12 NCCCc1ccco1 1P00DD6T [0,0,0,0,1,0|3,0,0]=4 1513 B9R1.12 NCCCc1cccs1 1P00ELTB [0,0,0,0,1,0|3,0,0]=4 1514 B9R1.12 NCCCc1cscc1 1P01ABDM [0,0,0,0,1,0|3,0,0]=4 1515 B9R1.12 NCCCn1cccc1 1P00EEGJ [0,0,0,0,1,0|3,0,0]=4 1516 B9R1.12 O=CCCc1ccco1 1P024Z0F [0,0,0,0,1,0|3,0,0]=4 1517 B9R1.12 O=CCCc1cccs1 1P002TCP [0,0,0,0,1,0|3,0,0]=4 1518 B9R1.12 O=CCCc1cscc1 1P01J8CC [0,0,0,0,1,0|3,0,0]=4 1519 B9R1.12 OCCCc1ccco1 1P01A4WN [0,0,0,0,1,0|3,0,0]=4 1520 B9R1.12 OCCCc1cccs1 1P003II9 [0,0,0,0,1,0|3,0,0]=4 1521 B9R1.12 OCCCc1cocc1 1P01BIE2 [0,0,0,0,1,0|3,0,0]=4 1522 B9R1.12 OCCCc1cscc1 1P003IJE [0,0,0,0,1,0|3,0,0]=4 1523 B9R1.12 OCCCn1cccc1 1P003DDX [0,0,0,0,1,0|3,0,0]=4 1524 B9R1.12 SCCCc1cocc1 1P028TXM [0,0,0,0,1,0|3,0,0]=4 1525 B8R0.4 CCCC=CC=CCO 1P0069DV [1,0,1,0,0,0|1,0,1]=4 1526 B8R0.4 CCC\C=C\C=C\C=O 1P0030BR [1,0,1,0,0,0|1,0,0]=3 1527 B8R0.4 CCC\C=C\C=C\CO 1P00AQC5 [1,0,1,0,0,0|1,0,1]=4 1528 B8R1.2 BrCc1ccccc1 1P0000N4 [2,0,0,0,0,0|1,0,0]=3 1529 B8R1.2 BrCc1ccccn1 1P00BC33 [2,0,0,0,0,0|2,0,0]=4 1530 B8R1.2 BrCc1cccnc1 1P0033XF [2,0,0,0,0,0|2,0,0]=4 1531 B8R1.2 BrCc1ccncc1 1P00349W [2,0,0,0,0,0|2,0,0]=4 1532 B8R1.2 Br[Mg]c1ccccc1 1P0000NW [2,0,0,0,0,0|2,0,0]=4 1533 B8R1.2 Br[Se]c1ccccc1 1P00399Q [2,0,0,0,0,0|2,0,0]=4 1534 B8R1.2 C#Cc1ccccc1 1P0037R1 [2,0,0,0,0,0|0,0,2]=4 1535 B8R1.2 C=Cc1ccccc1 1P0000N1 [2,0,0,0,0,0|0,0,2]=4 1536 B8R1.2 C=Cc1ccccc1 1P00C4A8 [2,0,0,0,0,0|0,0,2]=4 1537 B8R1.2 CCN1CC=CC=C1 1P004M7X [2,0,0,0,0,0|1,0,1]=4 1538 B8R1.2 CC[n+]1ccccc1 1P002F4L [2,0,0,0,0,0|1,0,0]=3 1539 B8R1.2 CC[n+]1ccccc1 1P002M2C [2,0,0,0,0,0|1,0,0]=3 1540 B8R1.2 CC[n+]1ccccc1 1P00CL4T [2,0,0,0,0,0|1,0,0]=3 1541 B8R1.2 CCc1ccccc1 1P0000N2 [2,0,0,0,0,0|0,0,0]=2 1542 B8R1.2 CCc1ccccn1 1P0000NJ [2,0,0,0,0,0|1,0,0]=3 1543 B8R1.2 CCc1cccnc1 1P00DE9B [2,0,0,0,0,0|1,0,0]=3 1544 B8R1.2 CCc1cccnn1 1P00BI37 [2,0,0,0,0,0|2,0,0]=4 1545 B8R1.2 CCc1ccncc1 1P003LT3 [2,0,0,0,0,0|1,0,0]=3 1546 B8R1.2 CCc1ccncn1 1P0030XP [2,0,0,0,0,0|2,0,0]=4 1547 B8R1.2 CCc1cnccn1 1P003HNC [2,0,0,0,0,0|2,0,0]=4 1548 B8R1.2 CCc1cncnc1 1P002RAM [2,0,0,0,0,0|2,0,0]=4 1549 B8R1.2 CCc1ncccn1 1P00EGF2 [2,0,0,0,0,0|2,0,0]=4 1550 B8R1.2 CNc1ccccc1 1P0000NT [2,0,0,0,0,0|0,0,0]=2 1551 B8R1.2 CNc1ccccc1 1P003TNS [2,0,0,0,0,0|0,0,0]=2 1552 B8R1.2 CNc1ccccn1 1P003TP7 [2,0,0,0,0,0|1,0,0]=3 1553 B8R1.2 CNc1cccnc1 1P00289C [2,0,0,0,0,0|1,0,0]=3 1554 B8R1.2 CNc1cccnn1 1P00DM46 [2,0,0,0,0,0|2,0,0]=4 1555 B8R1.2 CNc1ccncc1 1P007CLZ [2,0,0,0,0,0|1,0,0]=3 1556 B8R1.2 CNc1ccncn1 1P00CCF5 [2,0,0,0,0,0|2,0,0]=4 1557 B8R1.2 CNc1ccnnc1 1P0035V9 [2,0,0,0,0,0|2,0,0]=4 1558 B8R1.2 CNc1cnccn1 1P00CL7Z [2,0,0,0,0,0|2,0,0]=4 1559 B8R1.2 CNc1cncnc1 1P00CMNJ [2,0,0,0,0,0|2,0,0]=4 1560 B8R1.2 CNc1ncccn1 1P00H1G9 [2,0,0,0,0,0|2,0,0]=4 1561 B8R1.2 COc1ccccc1 1P0000NO [2,0,0,0,0,0|1,0,0]=3 1562 B8R1.2 COc1ccccn1 1P001TWH [2,0,0,0,0,0|2,0,0]=4 1563 B8R1.2 COc1cccnc1 1P00347L [2,0,0,0,0,0|2,0,0]=4 1564 B8R1.2 COc1ccncc1 1P003M5N [2,0,0,0,0,0|2,0,0]=4 1565 B8R1.2 CSc1ccccc1 1P0000NM [2,0,0,0,0,0|1,0,0]=3 1566 B8R1.2 CSc1ccccn1 1P00AP6U [2,0,0,0,0,0|2,0,0]=4 1567 B8R1.2 CSc1cccnc1 1P002H17 [2,0,0,0,0,0|2,0,0]=4 1568 B8R1.2 CSc1ccncc1 1P00CCG6 [2,0,0,0,0,0|2,0,0]=4 1569 B8R1.2 C[SiH2]c1ccccc1 1P005JR8 [2,0,0,0,0,0|0,1,0]=3 1570 B8R1.2 ClCc1ccccn1 1P0033BZ [2,0,0,0,0,0|2,0,0]=4 1571 B8R1.2 ClCc1ccccn1 1P0073L5 [2,0,0,0,0,0|2,0,0]=4 1572 B8R1.2 ClCc1cccnc1 1P005WS5 [2,0,0,0,0,0|2,0,0]=4 1573 B8R1.2 ClCc1ccncc1 1P0023Y0 [2,0,0,0,0,0|2,0,0]=4 1574 B8R1.2 Cl[Mg]c1ccccc1 1P0000NV [2,0,0,0,0,0|2,0,0]=4 1575 B8R1.2 Cl[Se]c1ccccc1 1P0035XY [2,0,0,0,0,0|2,0,0]=4 1576 B8R1.2 FCc1cccnc1 1P004R6V [2,0,0,0,0,0|2,0,0]=4 1577 B8R1.2 FCc1ccncc1 1P004SSU [2,0,0,0,0,0|2,0,0]=4 1578 B8R1.2 ICc1ccccc1 1P0037QF [2,0,0,0,0,0|1,0,0]=3 1579 B8R1.2 ICc1cccnc1 1P005TG6 [2,0,0,0,0,0|2,0,0]=4 1580 B8R1.2 ICc1ccncc1 1P001AK8 [2,0,0,0,0,0|2,0,0]=4 1581 B8R1.2 N#Cc1ccccc1 1P0000MW [2,0,0,0,0,0|0,0,2]=4 1582 B8R1.2 N#Cc1ccccc1 1P001LN2 [2,0,0,0,0,0|0,0,2]=4 1583 B8R1.2 N#Cc1ccccc1 1P003OQS [2,0,0,0,0,0|0,0,2]=4 1584 B8R1.2 N#[N+]c1ccccc1 1P00CLKS [2,0,0,0,0,0|1,0,1]=4 1585 B8R1.2 NCc1ccccc1 1P0000MX [2,0,0,0,0,0|0,0,0]=2 1586 B8R1.2 NCc1ccccc1 1P003OLG [2,0,0,0,0,0|0,0,0]=2 1587 B8R1.2 NCc1ccccc1 1P00BYUK [2,0,0,0,0,0|0,0,0]=2 1588 B8R1.2 NCc1ccccc1 1P00DH5Y [2,0,0,0,0,0|0,0,0]=2 1589 B8R1.2 NCc1ccccn1 1P003IDS [2,0,0,0,0,0|1,0,0]=3 1590 B8R1.2 NCc1cccnc1 1P003UIR [2,0,0,0,0,0|1,0,0]=3 1591 B8R1.2 NCc1cccnc1 1P01XEWA [2,0,0,0,0,0|1,0,0]=3 1592 B8R1.2 NCc1cccnn1 1P00GS3J [2,0,0,0,0,0|2,0,0]=4 1593 B8R1.2 NCc1cccnn1 1P01JUG1 [2,0,0,0,0,0|2,0,0]=4 1594 B8R1.2 NCc1ccncc1 1P0034LV [2,0,0,0,0,0|1,0,0]=3 1595 B8R1.2 NCc1ccncc1 1P00ED63 [2,0,0,0,0,0|1,0,0]=3 1596 B8R1.2 NCc1ccncn1 1P000A6H [2,0,0,0,0,0|2,0,0]=4 1597 B8R1.2 NCc1ccncn1 1P0038A7 [2,0,0,0,0,0|2,0,0]=4 1598 B8R1.2 NCc1ccncn1 1P00EMBN [2,0,0,0,0,0|2,0,0]=4 1599 B8R1.2 NCc1ccnnc1 1P003AHQ [2,0,0,0,0,0|2,0,0]=4 1600 B8R1.2 NCc1ccnnc1 1P006ZTS [2,0,0,0,0,0|2,0,0]=4 1601 B8R1.2 NCc1cnccn1 1P002CZT [2,0,0,0,0,0|2,0,0]=4 1602 B8R1.2 NCc1cnccn1 1P00397Q [2,0,0,0,0,0|2,0,0]=4 1603 B8R1.2 NCc1cncnc1 1P002RBY [2,0,0,0,0,0|2,0,0]=4 1604 B8R1.2 NCc1cncnc1 1P00ILSS [2,0,0,0,0,0|2,0,0]=4 1605 B8R1.2 NCc1ncccn1 1P001ILN [2,0,0,0,0,0|2,0,0]=4 1606 B8R1.2 NCc1ncccn1 1P0033KZ [2,0,0,0,0,0|2,0,0]=4 1607 B8R1.2 NCc1ncccn1 1P005HA7 [2,0,0,0,0,0|2,0,0]=4 1608 B8R1.2 NCc1nccnc1 1P00HE98 [2,0,0,0,0,0|2,0,0]=4 1609 B8R1.2 NNc1ccccc1 1P0000NR [2,0,0,0,0,0|1,0,0]=3 1610 B8R1.2 NNc1ccccc1 1P0035XW [2,0,0,0,0,0|1,0,0]=3 1611 B8R1.2 NNc1ccccc1 1P003U6F [2,0,0,0,0,0|1,0,0]=3 1612 B8R1.2 NNc1ccccn1 1P003HU7 [2,0,0,0,0,0|2,0,0]=4 1613 B8R1.2 NNc1ccccn1 1P00DIES [2,0,0,0,0,0|2,0,0]=4 1614 B8R1.2 NNc1ccccn1 1P00I9B1 [2,0,0,0,0,0|2,0,0]=4 1615 B8R1.2 NNc1cccnc1 1P0037EA [2,0,0,0,0,0|2,0,0]=4 1616 B8R1.2 NNc1cccnc1 1P00398X [2,0,0,0,0,0|2,0,0]=4 1617 B8R1.2 NNc1cccnc1 1P003JZP [2,0,0,0,0,0|2,0,0]=4 1618 B8R1.2 NNc1ccncc1 1P002JZO [2,0,0,0,0,0|2,0,0]=4 1619 B8R1.2 NNc1ccncc1 1P01DFTQ [2,0,0,0,0,0|2,0,0]=4 1620 B8R1.2 NNc1ccncc1 1P01FD3X [2,0,0,0,0,0|2,0,0]=4 1621 B8R1.2 NOc1ccccc1 1P0037K5 [2,0,0,0,0,0|1,0,0]=3 1622 B8R1.2 O=Nc1ccccc1 1P003AHD [2,0,0,0,0,0|1,0,1]=4 1623 B8R1.2 O=[As]c1ccccc1 1P003U68 [2,0,0,0,0,0|1,1,0]=4 1624 B8R1.2 O=[I]c1ccccc1 1P0037R0 [2,0,0,0,0,0|2,0,0]=4 1625 B8R1.2 OCc1ccccc1 1P0000MS [2,0,0,0,0,0|1,0,0]=3 1626 B8R1.2 OCc1ccccn1 1P003UIQ [2,0,0,0,0,0|2,0,0]=4 1627 B8R1.2 OCc1cccnc1 1P0000NZ [2,0,0,0,0,0|2,0,0]=4 1628 B8R1.2 OCc1ccncc1 1P0034J2 [2,0,0,0,0,0|2,0,0]=4 1629 B8R1.2 OCc1ccncc1 1P00IBZH [2,0,0,0,0,0|2,0,0]=4 1630 B8R1.2 ONc1ccccc1 1P0000NP [2,0,0,0,0,0|1,0,0]=3 1631 B8R1.2 ONc1ccccc1 1P00G4MK [2,0,0,0,0,0|1,0,0]=3 1632 B8R1.2 SCc1ccccc1 1P0000O1 [2,0,0,0,0,0|1,0,0]=3 1633 B8R1.2 SCc1ccccn1 1P0029Y2 [2,0,0,0,0,0|2,0,0]=4 1634 B8R1.2 SCc1cccnc1 1P0024X6 [2,0,0,0,0,0|2,0,0]=4 1635 B8R1.2 SCc1ccncc1 1P0023XZ [2,0,0,0,0,0|2,0,0]=4 1636 B8R1.2 [C-]#[N+]c1ccccc1 1P006IKG [2,0,0,0,0,0|0,0,2]=4 1637 B8R1.2 [Mg+]Cc1ccccc1 1P005L1K [2,0,0,0,0,0|1,0,0]=3 1638 B10R0.71 CCCCCC=CC=CC=O 1P002OF2 [0,1,1,0,0,0|1,0,1]=4 1639 B10R0.71 CCCCC\C=C\C=C\C=O 1P002R4E [0,1,1,0,0,0|1,0,1]=4 1640 B10R1.1 BrCCc1ccc(cc1)Br 1P00209O [1,1,0,0,0,0|1,0,0]=3 1641 B10R1.1 BrCCc1ccc(cc1)C 1P003M90 [1,1,0,0,0,0|1,0,0]=3 1642 B10R1.1 BrCCc1ccc(cc1)Cl 1P003LOC [1,1,0,0,0,0|1,0,0]=3 1643 B10R1.1 BrCCc1ccc(cc1)F 1P003LWF [1,1,0,0,0,0|1,0,0]=3 1644 B10R1.1 BrCCc1ccc(cc1)N 1P002TK5 [1,1,0,0,0,0|1,0,0]=3 1645 B10R1.1 BrCCc1ccc(cc1)O 1P003M0B [1,1,0,0,0,0|1,0,0]=3 1646 B10R1.1 BrCCc1ccc(cn1)F 1P028898 [1,1,0,0,0,0|2,0,0]=4 1647 B10R1.1 BrCCc1ccc(nc1)C 1P028KLW [1,1,0,0,0,0|2,0,0]=4 1648 B10R1.1 BrCCc1ccc(nc1)Cl 1P01B9L7 [1,1,0,0,0,0|2,0,0]=4 1649 B10R1.1 Brc1ccc(cc1)C[N+]#[C-] 1P00EDQC [1,1,0,0,0,0|0,0,2]=4 1650 B10R1.1 C#CCc1ccc(cc1)Cl 1P00FHLJ [1,1,0,0,0,0|0,0,2]=4 1651 B10R1.1 C#CCc1ccc(cc1)O 1P01XIKJ [1,1,0,0,0,0|0,0,2]=4 1652 B10R1.1 C=CCc1ccc(cc1)C 1P003L3X [1,1,0,0,0,0|0,0,2]=4 1653 B10R1.1 C=CCc1ccc(cc1)Cl 1P00206A [1,1,0,0,0,0|0,0,2]=4 1654 B10R1.1 C=CCc1ccc(cc1)F 1P001ZL7 [1,1,0,0,0,0|0,0,2]=4 1655 B10R1.1 C=CCc1ccc(cc1)O 1P00395J [1,1,0,0,0,0|0,0,2]=4 1656 B10R1.1 CC=Cc1ccc(cc1)N 1P01BBOQ [1,1,0,0,0,0|0,0,2]=4 1657 B10R1.1 CCCc1ccc(cc1)Br 1P00336M [1,1,0,0,0,0|0,0,0]=2 1658 B10R1.1 CCCc1ccc(cc1)Cl 1P003U0V [1,1,0,0,0,0|0,0,0]=2 1659 B10R1.1 CCCc1ccc(cc1)N 1P003MGR [1,1,0,0,0,0|0,0,0]=2 1660 B10R1.1 CCCc1ccc(cc1)O 1P003MGY [1,1,0,0,0,0|0,0,0]=2 1661 B10R1.1 CCCc1ccc(cc1)S 1P01BL0R [1,1,0,0,0,0|0,0,0]=2 1662 B10R1.1 CCCc1ccc(nc1)Br 1P021X59 [1,1,0,0,0,0|1,0,0]=3 1663 B10R1.1 CCCc1cnc(nc1)Cl 1P003HGE [1,1,0,0,0,0|2,0,0]=4 1664 B10R1.1 CCCc1ncc(cn1)N 1P01B8I4 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.1 CCNc1ccc(=O)[nH]c1 1P027YPW [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.1 CCNc1ccc(cc1)Br 1P006DFE [1,1,0,0,0,0|1,0,0]=3 1667 B10R1.1 CCNc1ccc(cc1)C 1P003THH [1,1,0,0,0,0|1,0,0]=3 1668 B10R1.1 CCNc1ccc(cc1)C 1P028OAS [1,1,0,0,0,0|1,0,0]=3 1669 B10R1.1 CCNc1ccc(cc1)Cl 1P003TGK [1,1,0,0,0,0|1,0,0]=3 1670 B10R1.1 CCNc1ccc(cc1)Cl 1P01C86E [1,1,0,0,0,0|1,0,0]=3 1671 B10R1.1 CCNc1ccc(cc1)F 1P00C75E [1,1,0,0,0,0|1,0,0]=3 1672 B10R1.1 CCNc1ccc(cc1)F 1P00DZVM [1,1,0,0,0,0|1,0,0]=3 1673 B10R1.1 CCNc1ccc(cc1)N 1P00F0BQ [1,1,0,0,0,0|1,0,0]=3 1674 B10R1.1 CCNc1ccc(cc1)O 1P00FTY5 [1,1,0,0,0,0|1,0,0]=3 1675 B10R1.1 CCNc1ccc(cc1)O 1P01BD6C [1,1,0,0,0,0|1,0,0]=3 1676 B10R1.1 CCNc1ccc(cn1)Br 1P004TLN [1,1,0,0,0,0|2,0,0]=4 1677 B10R1.1 CCNc1ccc(cn1)N 1P00E2O4 [1,1,0,0,0,0|2,0,0]=4 1678 B10R1.1 CCOc1ccc(cc1)Br 1P003LHI [1,1,0,0,0,0|1,0,0]=3 1679 B10R1.1 CCOc1ccc(cc1)C 1P00EAI5 [1,1,0,0,0,0|1,0,0]=3 1680 B10R1.1 CCOc1ccc(cc1)Cl 1P003LOF [1,1,0,0,0,0|1,0,0]=3 1681 B10R1.1 CCOc1ccc(cc1)F 1P003EQY [1,1,0,0,0,0|1,0,0]=3 1682 B10R1.1 CCOc1ccc(cc1)I 1P003LS2 [1,1,0,0,0,0|1,0,0]=3 1683 B10R1.1 CCOc1ccc(cc1)N 1P001OVT [1,1,0,0,0,0|1,0,0]=3 1684 B10R1.1 CCOc1ccc(cc1)N 1P003UEJ [1,1,0,0,0,0|1,0,0]=3 1685 B10R1.1 CCOc1ccc(cc1)N 1P01EKJG [1,1,0,0,0,0|1,0,0]=3 1686 B10R1.1 CCOc1ccc(cc1)O 1P003LS3 [1,1,0,0,0,0|1,0,0]=3 1687 B10R1.1 CCOc1ccc(cc1)S 1P005TIM [1,1,0,0,0,0|1,0,0]=3 1688 B10R1.1 CCOc1ccc(cn1)Br 1P003MXL [1,1,0,0,0,0|2,0,0]=4 1689 B10R1.1 CCOc1ccc(cn1)Cl 1P00I4SY [1,1,0,0,0,0|2,0,0]=4 1690 B10R1.1 CCOc1ccc(cn1)F 1P008GR1 [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.1 CCOc1ccc(cn1)I 1P00GSBW [1,1,0,0,0,0|2,0,0]=4 1692 B10R1.1 CCOc1ccc(cn1)N 1P00I9RP [1,1,0,0,0,0|2,0,0]=4 1693 B10R1.1 CCOc1ccc(nc1)Br 1P0071TQ [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.1 CCOc1ccc(nc1)Cl 1P00G4H7 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.1 CCOc1ccc(nc1)N 1P00H1EN [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.1 CCSc1ccc(cc1)Br 1P0030UV [1,1,0,0,0,0|1,0,0]=3 1697 B10R1.1 CCSc1ccc(cc1)C 1P00ELQS [1,1,0,0,0,0|1,0,0]=3 1698 B10R1.1 CCSc1ccc(cc1)F 1P002YAA [1,1,0,0,0,0|1,0,0]=3 1699 B10R1.1 CCSc1ccc(cc1)N 1P00J28R [1,1,0,0,0,0|1,0,0]=3 1700 B10R1.1 CCSc1ccc(cn1)Br 1P00HS6N [1,1,0,0,0,0|2,0,0]=4 1701 B10R1.1 CCSc1ccc(cn1)N 1P01A81V [1,1,0,0,0,0|2,0,0]=4 1702 B10R1.1 CCSc1ccc(nc1)Cl 1P027XPO [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.1 CN=Cc1ccc(cc1)Cl 1P000W2A [1,1,0,0,0,0|0,0,2]=4 1704 B10R1.1 CNCc1ccc(cc1)Br 1P003LHF [1,1,0,0,0,0|0,0,0]=2 1705 B10R1.1 CNCc1ccc(cc1)Br 1P003TNF [1,1,0,0,0,0|0,0,0]=2 1706 B10R1.1 CNCc1ccc(cc1)C 1P003TNJ [1,1,0,0,0,0|0,0,0]=2 1707 B10R1.1 CNCc1ccc(cc1)C 1P003TON [1,1,0,0,0,0|0,0,0]=2 1708 B10R1.1 CNCc1ccc(cc1)Cl 1P003DFR [1,1,0,0,0,0|0,0,0]=2 1709 B10R1.1 CNCc1ccc(cc1)Cl 1P003TNG [1,1,0,0,0,0|0,0,0]=2 1710 B10R1.1 CNCc1ccc(cc1)F 1P003LWB [1,1,0,0,0,0|0,0,0]=2 1711 B10R1.1 CNCc1ccc(cc1)F 1P00D9LV [1,1,0,0,0,0|0,0,0]=2 1712 B10R1.1 CNCc1ccc(cc1)I 1P028EDZ [1,1,0,0,0,0|0,0,0]=2 1713 B10R1.1 CNCc1ccc(cc1)N 1P003TNE [1,1,0,0,0,0|0,0,0]=2 1714 B10R1.1 CNCc1ccc(cc1)O 1P003L1D [1,1,0,0,0,0|0,0,0]=2 1715 B10R1.1 CNCc1ccc(cc1)O 1P0092KQ [1,1,0,0,0,0|0,0,0]=2 1716 B10R1.1 CNCc1ccc(cc1)O 1P01EAKR [1,1,0,0,0,0|0,0,0]=2 1717 B10R1.1 CNCc1ccc(cn1)Br 1P0287JA [1,1,0,0,0,0|1,0,0]=3 1718 B10R1.1 CNCc1ccc(cn1)C 1P00HB7L [1,1,0,0,0,0|1,0,0]=3 1719 B10R1.1 CNCc1ccc(cn1)Cl 1P028CVY [1,1,0,0,0,0|1,0,0]=3 1720 B10R1.1 CNCc1ccc(nc1)Br 1P01JMDT [1,1,0,0,0,0|1,0,0]=3 1721 B10R1.1 CNCc1ccc(nc1)C 1P0293DH [1,1,0,0,0,0|1,0,0]=3 1722 B10R1.1 CNCc1ccc(nc1)Cl 1P008VNP [1,1,0,0,0,0|1,0,0]=3 1723 B10R1.1 CNCc1ccc(nc1)Cl 1P00J2N9 [1,1,0,0,0,0|1,0,0]=3 1724 B10R1.1 CNCc1ccc(nc1)N 1P01A5WD [1,1,0,0,0,0|1,0,0]=3 1725 B10R1.1 CNCc1ccc(nc1)N 1P028L0H [1,1,0,0,0,0|1,0,0]=3 1726 B10R1.1 CNCc1cnc(cn1)C 1P028IW5 [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.1 CNCc1cnc(nc1)C 1P000N8M [1,1,0,0,0,0|2,0,0]=4 1728 B10R1.1 CNCc1ncc(cn1)Br 1P01E7PK [1,1,0,0,0,0|2,0,0]=4 1729 B10R1.1 COCc1ccc(cc1)Br 1P001NU5 [1,1,0,0,0,0|1,0,0]=3 1730 B10R1.1 COCc1ccc(cc1)Cl 1P000POK [1,1,0,0,0,0|1,0,0]=3 1731 B10R1.1 COCc1ccc(cc1)I 1P00H370 [1,1,0,0,0,0|1,0,0]=3 1732 B10R1.1 COCc1ccc(cc1)N 1P003KPL [1,1,0,0,0,0|1,0,0]=3 1733 B10R1.1 COCc1ccc(cc1)O 1P00DG3W [1,1,0,0,0,0|1,0,0]=3 1734 B10R1.1 COCc1ccc(cc1)S 1P019TSN [1,1,0,0,0,0|1,0,0]=3 1735 B10R1.1 COCc1ccc(nc1)Br 1P00FG5J [1,1,0,0,0,0|2,0,0]=4 1736 B10R1.1 COCc1ccc(nc1)Cl 1P0005JV [1,1,0,0,0,0|2,0,0]=4 1737 B10R1.1 COCc1ccc(nc1)N 1P028S54 [1,1,0,0,0,0|2,0,0]=4 1738 B10R1.1 CSCc1ccc(cc1)Br 1P00AS51 [1,1,0,0,0,0|1,0,0]=3 1739 B10R1.1 CSCc1ccc(cc1)Cl 1P00EA6D [1,1,0,0,0,0|1,0,0]=3 1740 B10R1.1 CSCc1ccc(cc1)F 1P00EG4L [1,1,0,0,0,0|1,0,0]=3 1741 B10R1.1 CSCc1ccc(cc1)N 1P01AAGG [1,1,0,0,0,0|1,0,0]=3 1742 B10R1.1 CSCc1ccc(cc1)N 1P028CQ4 [1,1,0,0,0,0|1,0,0]=3 1743 B10R1.1 CSCc1ccc(nc1)Cl 1P008W3Q [1,1,0,0,0,0|2,0,0]=4 1744 B10R1.1 C\C=C\c1ccc(cc1)Br 1P0039M8 [1,1,0,0,0,0|0,0,2]=4 1745 B10R1.1 C\C=C\c1ccc(cc1)O 1P0286KE [1,1,0,0,0,0|0,0,2]=4 1746 B10R1.1 Cc1ccc(cc1)C[N+]#[C-] 1P00BZ37 [1,1,0,0,0,0|0,0,2]=4 1747 B10R1.1 Cc1cnc(cn1)CCN 1P01C2R8 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.1 ClCCc1ccc(cc1)C 1P01AJRP [1,1,0,0,0,0|1,0,0]=3 1749 B10R1.1 ClCCc1ccc(cc1)Cl 1P00BZZW [1,1,0,0,0,0|1,0,0]=3 1750 B10R1.1 ClCCc1ccc(cc1)F 1P003BFT [1,1,0,0,0,0|1,0,0]=3 1751 B10R1.1 ClCCc1ccc(nc1)Cl 1P01DVHP [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.1 ClCOc1ccc(cc1)F 1P01BK8P [1,1,0,0,0,0|2,0,0]=4 1753 B10R1.1 ClCSc1ccc(cc1)C 1P003PAW [1,1,0,0,0,0|2,0,0]=4 1754 B10R1.1 Clc1ccc(cc1)C[N+]#[C-] 1P00BZ4O [1,1,0,0,0,0|0,0,2]=4 1755 B10R1.1 FCCc1ccc(cc1)Br 1P028SCH [1,1,0,0,0,0|1,0,0]=3 1756 B10R1.1 FCCc1ccc(cc1)N 1P021OGU [1,1,0,0,0,0|1,0,0]=3 1757 B10R1.1 FCCc1ccc(cc1)O 1P01DHVV [1,1,0,0,0,0|1,0,0]=3 1758 B10R1.1 FCOc1ccc(cc1)Br 1P02843R [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.1 FCOc1ccc(cc1)I 1P0287U6 [1,1,0,0,0,0|2,0,0]=4 1760 B10R1.1 FCOc1ccc(cc1)N 1P0288ZL [1,1,0,0,0,0|2,0,0]=4 1761 B10R1.1 Fc1ccc(cc1)C[N+]#[C-] 1P001LQ3 [1,1,0,0,0,0|0,0,2]=4 1762 B10R1.1 ICCc1ccc(cc1)Br 1P008FXF [1,1,0,0,0,0|1,0,0]=3 1763 B10R1.1 ICCc1ccc(cc1)Cl 1P01JMRL [1,1,0,0,0,0|1,0,0]=3 1764 B10R1.1 N#CCc1ccc(cc1)Br 1P001WJT [1,1,0,0,0,0|0,0,2]=4 1765 B10R1.1 N#CCc1ccc(cc1)C 1P002YYR [1,1,0,0,0,0|0,0,2]=4 1766 B10R1.1 N#CCc1ccc(cc1)Cl 1P001CE6 [1,1,0,0,0,0|0,0,2]=4 1767 B10R1.1 N#CCc1ccc(cc1)F 1P003LWQ [1,1,0,0,0,0|0,0,2]=4 1768 B10R1.1 N#CCc1ccc(cc1)I 1P003M1K [1,1,0,0,0,0|0,0,2]=4 1769 B10R1.1 N#CCc1ccc(cc1)N 1P003L7Q [1,1,0,0,0,0|0,0,2]=4 1770 B10R1.1 N#CCc1ccc(cc1)O 1P001HTW [1,1,0,0,0,0|0,0,2]=4 1771 B10R1.1 N#CCc1ccc(cc1)S 1P027XUJ [1,1,0,0,0,0|0,0,2]=4 1772 B10R1.1 NCCc1ccc(=O)[nH]c1 1P01C526 [1,1,0,0,0,0|1,0,0]=3 1773 B10R1.1 NCCc1ccc(cc1)Br 1P0033BE [1,1,0,0,0,0|0,0,0]=2 1774 B10R1.1 NCCc1ccc(cc1)Br 1P00C08F [1,1,0,0,0,0|0,0,0]=2 1775 B10R1.1 NCCc1ccc(cc1)C 1P003M91 [1,1,0,0,0,0|0,0,0]=2 1776 B10R1.1 NCCc1ccc(cc1)C 1P00CLFF [1,1,0,0,0,0|0,0,0]=2 1777 B10R1.1 NCCc1ccc(cc1)Cl 1P001OVU [1,1,0,0,0,0|0,0,0]=2 1778 B10R1.1 NCCc1ccc(cc1)Cl 1P002QCJ [1,1,0,0,0,0|0,0,0]=2 1779 B10R1.1 NCCc1ccc(cc1)F 1P001QL6 [1,1,0,0,0,0|0,0,0]=2 1780 B10R1.1 NCCc1ccc(cc1)F 1P003LWH [1,1,0,0,0,0|0,0,0]=2 1781 B10R1.1 NCCc1ccc(cc1)F 1P01DFUD [1,1,0,0,0,0|0,0,0]=2 1782 B10R1.1 NCCc1ccc(cc1)I 1P005JNU [1,1,0,0,0,0|0,0,0]=2 1783 B10R1.1 NCCc1ccc(cc1)I 1P01B5P8 [1,1,0,0,0,0|0,0,0]=2 1784 B10R1.1 NCCc1ccc(cc1)N 1P003FBD [1,1,0,0,0,0|0,0,0]=2 1785 B10R1.1 NCCc1ccc(cc1)N 1P0070N1 [1,1,0,0,0,0|0,0,0]=2 1786 B10R1.1 NCCc1ccc(cc1)O 1P003FD7 [1,1,0,0,0,0|0,0,0]=2 1787 B10R1.1 NCCc1ccc(cc1)O 1P00IB3O [1,1,0,0,0,0|0,0,0]=2 1788 B10R1.1 NCCc1ccc(cn1)Br 1P01XCAI [1,1,0,0,0,0|1,0,0]=3 1789 B10R1.1 NCCc1ccc(cn1)C 1P00G5VS [1,1,0,0,0,0|1,0,0]=3 1790 B10R1.1 NCCc1ccc(cn1)F 1P01B8QR [1,1,0,0,0,0|1,0,0]=3 1791 B10R1.1 NCCc1ccc(cn1)O 1P01C4CQ [1,1,0,0,0,0|1,0,0]=3 1792 B10R1.1 NCCc1ccc(nc1)C 1P006JIH [1,1,0,0,0,0|1,0,0]=3 1793 B10R1.1 NCCc1ccc(nc1)Cl 1P00DL91 [1,1,0,0,0,0|1,0,0]=3 1794 B10R1.1 NCCc1ccc(nc1)Cl 1P01P153 [1,1,0,0,0,0|1,0,0]=3 1795 B10R1.1 NCCc1ccc(nc1)F 1P027VHR [1,1,0,0,0,0|1,0,0]=3 1796 B10R1.1 NCCc1cnc(nc1)O 1P01BRYZ [1,1,0,0,0,0|2,0,0]=4 1797 B10R1.1 NCCc1ncc(cn1)Br 1P028FZK [1,1,0,0,0,0|2,0,0]=4 1798 B10R1.1 NCCc1ncc(cn1)C 1P00I08Q [1,1,0,0,0,0|2,0,0]=4 1799 B10R1.1 NCCc1ncc(cn1)C 1P01A3HN [1,1,0,0,0,0|2,0,0]=4 1800 B10R1.1 NCCc1ncc(cn1)C 1P027YWY [1,1,0,0,0,0|2,0,0]=4 1801 B10R1.1 NCCc1ncc(cn1)F 1P01FJVA [1,1,0,0,0,0|2,0,0]=4 1802 B10R1.1 NCCn1ccc(=O)cc1 1P028S6B [1,1,0,0,0,0|1,0,0]=3 1803 B10R1.1 NNCc1ccc(cc1)Br 1P00I01Q [1,1,0,0,0,0|1,0,0]=3 1804 B10R1.1 NNCc1ccc(cc1)Br 1P01KLR6 [1,1,0,0,0,0|1,0,0]=3 1805 B10R1.1 NNCc1ccc(cc1)C 1P002SK3 [1,1,0,0,0,0|1,0,0]=3 1806 B10R1.1 NNCc1ccc(cc1)C 1P00912Z [1,1,0,0,0,0|1,0,0]=3 1807 B10R1.1 NNCc1ccc(cc1)C 1P00DAGU [1,1,0,0,0,0|1,0,0]=3 1808 B10R1.1 NNCc1ccc(cc1)Cl 1P00914B [1,1,0,0,0,0|1,0,0]=3 1809 B10R1.1 NNCc1ccc(cc1)Cl 1P00G558 [1,1,0,0,0,0|1,0,0]=3 1810 B10R1.1 NNCc1ccc(cc1)Cl 1P00J1XO [1,1,0,0,0,0|1,0,0]=3 1811 B10R1.1 NNCc1ccc(cc1)F 1P0001BU [1,1,0,0,0,0|1,0,0]=3 1812 B10R1.1 NNCc1ccc(cc1)F 1P008ZIB [1,1,0,0,0,0|1,0,0]=3 1813 B10R1.1 NNCc1ccc(cc1)I 1P01XD1O [1,1,0,0,0,0|1,0,0]=3 1814 B10R1.1 NNCc1ccc(cc1)O 1P028XZA [1,1,0,0,0,0|1,0,0]=3 1815 B10R1.1 NNCc1ccc(nc1)Cl 1P000KW7 [1,1,0,0,0,0|2,0,0]=4 1816 B10R1.1 NNCc1ccc(nc1)Cl 1P008UTN [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.1 NOCc1ccc(cc1)Br 1P00CM64 [1,1,0,0,0,0|1,0,0]=3 1818 B10R1.1 NOCc1ccc(cc1)C 1P00C8PR [1,1,0,0,0,0|1,0,0]=3 1819 B10R1.1 NOCc1ccc(cc1)C 1P00G4ZH [1,1,0,0,0,0|1,0,0]=3 1820 B10R1.1 NOCc1ccc(cc1)Cl 1P00C71C [1,1,0,0,0,0|1,0,0]=3 1821 B10R1.1 NOCc1ccc(cc1)Cl 1P00DDLL [1,1,0,0,0,0|1,0,0]=3 1822 B10R1.1 NOCc1ccc(cc1)F 1P0026AQ [1,1,0,0,0,0|1,0,0]=3 1823 B10R1.1 NOCc1ccc(cc1)F 1P00DEWL [1,1,0,0,0,0|1,0,0]=3 1824 B10R1.1 O=CCc1ccc(cc1)Br 1P00BCHQ [1,1,0,0,0,0|1,0,1]=4 1825 B10R1.1 O=CCc1ccc(cc1)C 1P0085DU [1,1,0,0,0,0|1,0,1]=4 1826 B10R1.1 O=CCc1ccc(cc1)Cl 1P00BXZ5 [1,1,0,0,0,0|1,0,1]=4 1827 B10R1.1 O=CCc1ccc(cc1)F 1P001ZIV [1,1,0,0,0,0|1,0,1]=4 1828 B10R1.1 OCCc1ccc(cc1)Br 1P003U0U [1,1,0,0,0,0|1,0,0]=3 1829 B10R1.1 OCCc1ccc(cc1)C 1P003BJ1 [1,1,0,0,0,0|1,0,0]=3 1830 B10R1.1 OCCc1ccc(cc1)Cl 1P003LOE [1,1,0,0,0,0|1,0,0]=3 1831 B10R1.1 OCCc1ccc(cc1)F 1P003FD0 [1,1,0,0,0,0|1,0,0]=3 1832 B10R1.1 OCCc1ccc(cc1)I 1P00DCHR [1,1,0,0,0,0|1,0,0]=3 1833 B10R1.1 OCCc1ccc(cc1)N 1P0038HA [1,1,0,0,0,0|1,0,0]=3 1834 B10R1.1 OCCc1ccc(cc1)O 1P0034J3 [1,1,0,0,0,0|1,0,0]=3 1835 B10R1.1 OCCc1ccc(cn1)Br 1P007Q4U [1,1,0,0,0,0|2,0,0]=4 1836 B10R1.1 OCCc1ccc(cn1)C 1P01C53A [1,1,0,0,0,0|2,0,0]=4 1837 B10R1.1 OCCc1ccc(cn1)N 1P01BBSL [1,1,0,0,0,0|2,0,0]=4 1838 B10R1.1 OCCc1ccc(nc1)Br 1P01KMBY [1,1,0,0,0,0|2,0,0]=4 1839 B10R1.1 OCCc1ccc(nc1)C 1P0001NN [1,1,0,0,0,0|2,0,0]=4 1840 B10R1.1 OCCc1ccc(nc1)Cl 1P0081YG [1,1,0,0,0,0|2,0,0]=4 1841 B10R1.1 OCCc1ccc(nc1)F 1P01DVCR [1,1,0,0,0,0|2,0,0]=4 1842 B10R1.1 OCCc1ccc(nc1)N 1P01BDRP [1,1,0,0,0,0|2,0,0]=4 1843 B10R1.4 BrCCc1ccccc1Br 1P008S5Q [1,1,0,0,0,0|1,0,0]=3 1844 B10R1.4 BrCCc1ccccc1C 1P001Y5M [1,1,0,0,0,0|1,0,0]=3 1845 B10R1.4 BrCCc1ccccc1Cl 1P001Y5L [1,1,0,0,0,0|1,0,0]=3 1846 B10R1.4 BrCCc1ccccc1F 1P003DA4 [1,1,0,0,0,0|1,0,0]=3 1847 B10R1.4 BrCCc1ccccc1O 1P00ELH4 [1,1,0,0,0,0|1,0,0]=3 1848 B10R1.4 BrCCn1ccccc1=O 1P01A89Y [1,1,0,0,0,0|2,0,0]=4 1849 B10R1.4 C#CCc1ccccc1F 1P01DVP6 [1,1,0,0,0,0|0,0,2]=4 1850 B10R1.4 C#CCc1ccccc1O 1P00CLW6 [1,1,0,0,0,0|0,0,2]=4 1851 B10R1.4 C=CCc1ccccc1Br 1P003EDU [1,1,0,0,0,0|0,0,2]=4 1852 B10R1.4 C=CCc1ccccc1C 1P001R8K [1,1,0,0,0,0|0,0,2]=4 1853 B10R1.4 C=CCc1ccccc1Cl 1P001R8I [1,1,0,0,0,0|0,0,2]=4 1854 B10R1.4 C=CCc1ccccc1O 1P002064 [1,1,0,0,0,0|0,0,2]=4 1855 B10R1.4 CCCc1ccccc1Br 1P01A28R [1,1,0,0,0,0|0,0,0]=2 1856 B10R1.4 CCCc1ccccc1I 1P007DSL [1,1,0,0,0,0|0,0,0]=2 1857 B10R1.4 CCCc1ccccc1N 1P0023UO [1,1,0,0,0,0|0,0,0]=2 1858 B10R1.4 CCCc1ccccc1N 1P028ATX [1,1,0,0,0,0|0,0,0]=2 1859 B10R1.4 CCCc1nccnc1Cl 1P01B7EN [1,1,0,0,0,0|2,0,0]=4 1860 B10R1.4 CCCc1nccnc1N 1P01B74B [1,1,0,0,0,0|2,0,0]=4 1861 B10R1.4 CCCn1ccccc1=O 1P00AQ0W [1,1,0,0,0,0|1,0,0]=3 1862 B10R1.4 CCNc1ccccc1Br 1P01JMHB [1,1,0,0,0,0|1,0,0]=3 1863 B10R1.4 CCNc1ccccc1C 1P00IIDL [1,1,0,0,0,0|1,0,0]=3 1864 B10R1.4 CCNc1ccccc1Cl 1P01B8QN [1,1,0,0,0,0|1,0,0]=3 1865 B10R1.4 CCNc1ccccc1F 1P00BEFS [1,1,0,0,0,0|1,0,0]=3 1866 B10R1.4 CCNc1ccccc1I 1P028SHN [1,1,0,0,0,0|1,0,0]=3 1867 B10R1.4 CCNc1ccccc1N 1P00BJJ4 [1,1,0,0,0,0|1,0,0]=3 1868 B10R1.4 CCNc1ccccc1O 1P0037GB [1,1,0,0,0,0|1,0,0]=3 1869 B10R1.4 CCNc1ccccc1O 1P0282E1 [1,1,0,0,0,0|1,0,0]=3 1870 B10R1.4 CCNc1cccnc1N 1P00BBQE [1,1,0,0,0,0|2,0,0]=4 1871 B10R1.4 CCNc1ccncc1N 1P001EX7 [1,1,0,0,0,0|2,0,0]=4 1872 B10R1.4 CCNc1ncccc1C 1P01BI60 [1,1,0,0,0,0|2,0,0]=4 1873 B10R1.4 CCNc1ncccc1I 1P0283H5 [1,1,0,0,0,0|2,0,0]=4 1874 B10R1.4 CCNc1ncccc1N 1P007HGD [1,1,0,0,0,0|2,0,0]=4 1875 B10R1.4 CCNc1ncccc1N 1P019X8Y [1,1,0,0,0,0|2,0,0]=4 1876 B10R1.4 CCOc1ccc[nH]c1=O 1P00H06L [1,1,0,0,0,0|2,0,0]=4 1877 B10R1.4 CCOc1ccccc1Br 1P003EJT [1,1,0,0,0,0|1,0,0]=3 1878 B10R1.4 CCOc1ccccc1C 1P00EDEP [1,1,0,0,0,0|1,0,0]=3 1879 B10R1.4 CCOc1ccccc1F 1P00DC78 [1,1,0,0,0,0|1,0,0]=3 1880 B10R1.4 CCOc1ccccc1I 1P00EOB3 [1,1,0,0,0,0|1,0,0]=3 1881 B10R1.4 CCOc1ccccc1N 1P003HMW [1,1,0,0,0,0|1,0,0]=3 1882 B10R1.4 CCOc1ccccc1N 1P003TY7 [1,1,0,0,0,0|1,0,0]=3 1883 B10R1.4 CCOc1cccnc1Br 1P00436J [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.4 CCOc1cccnc1F 1P00IDVS [1,1,0,0,0,0|2,0,0]=4 1885 B10R1.4 CCOc1cccnc1N 1P00019E [1,1,0,0,0,0|2,0,0]=4 1886 B10R1.4 CCOc1ccncc1N 1P001UH4 [1,1,0,0,0,0|2,0,0]=4 1887 B10R1.4 CCOc1cnccc1N 1P00GU33 [1,1,0,0,0,0|2,0,0]=4 1888 B10R1.4 CCOc1ncccc1Br 1P003JH0 [1,1,0,0,0,0|2,0,0]=4 1889 B10R1.4 CCOc1ncccc1Cl 1P0025YL [1,1,0,0,0,0|2,0,0]=4 1890 B10R1.4 CCOc1ncccc1I 1P003HMK [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.4 CCOc1ncccc1N 1P00DLRU [1,1,0,0,0,0|2,0,0]=4 1892 B10R1.4 CCOc1ncccc1O 1P002HLC [1,1,0,0,0,0|2,0,0]=4 1893 B10R1.4 CCSc1ccc[nH]c1=O 1P01E38X [1,1,0,0,0,0|2,0,0]=4 1894 B10R1.4 CCSc1ccccc1Br 1P008E10 [1,1,0,0,0,0|1,0,0]=3 1895 B10R1.4 CCSc1ccccc1Cl 1P00I77K [1,1,0,0,0,0|1,0,0]=3 1896 B10R1.4 CCSc1ccccc1N 1P001AY7 [1,1,0,0,0,0|1,0,0]=3 1897 B10R1.4 CCSc1ccccc1N 1P00J3QB [1,1,0,0,0,0|1,0,0]=3 1898 B10R1.4 CCSc1ccccc1O 1P002Z6A [1,1,0,0,0,0|1,0,0]=3 1899 B10R1.4 CCSc1cccnc1Cl 1P028BNW [1,1,0,0,0,0|2,0,0]=4 1900 B10R1.4 CCSc1cnccc1N 1P0290M3 [1,1,0,0,0,0|2,0,0]=4 1901 B10R1.4 CNCc1ccc[nH]c1=O 1P028W37 [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.4 CNCc1ccccc1Br 1P003C2Q [1,1,0,0,0,0|0,0,0]=2 1903 B10R1.4 CNCc1ccccc1C 1P004MU6 [1,1,0,0,0,0|0,0,0]=2 1904 B10R1.4 CNCc1ccccc1C 1P00J2B1 [1,1,0,0,0,0|0,0,0]=2 1905 B10R1.4 CNCc1ccccc1Cl 1P005WFN [1,1,0,0,0,0|0,0,0]=2 1906 B10R1.4 CNCc1ccccc1F 1P003C3Y [1,1,0,0,0,0|0,0,0]=2 1907 B10R1.4 CNCc1ccccc1F 1P019WE2 [1,1,0,0,0,0|0,0,0]=2 1908 B10R1.4 CNCc1ccccc1I 1P028D3W [1,1,0,0,0,0|0,0,0]=2 1909 B10R1.4 CNCc1ccccc1N 1P00B4VD [1,1,0,0,0,0|0,0,0]=2 1910 B10R1.4 CNCc1ccccc1O 1P003HWH [1,1,0,0,0,0|0,0,0]=2 1911 B10R1.4 CNCc1ccccc1O 1P00IBRS [1,1,0,0,0,0|0,0,0]=2 1912 B10R1.4 CNCc1ccccc1O 1P019NN0 [1,1,0,0,0,0|0,0,0]=2 1913 B10R1.4 CNCc1cccnc1Br 1P028TJK [1,1,0,0,0,0|1,0,0]=3 1914 B10R1.4 CNCc1cccnc1Cl 1P00J21X [1,1,0,0,0,0|1,0,0]=3 1915 B10R1.4 CNCc1cccnc1Cl 1P0285O8 [1,1,0,0,0,0|1,0,0]=3 1916 B10R1.4 CNCc1ccncc1Br 1P01K1DW [1,1,0,0,0,0|1,0,0]=3 1917 B10R1.4 CNCc1ccncc1C 1P00J1OX [1,1,0,0,0,0|1,0,0]=3 1918 B10R1.4 CNCc1ccncc1C 1P00J3MB [1,1,0,0,0,0|1,0,0]=3 1919 B10R1.4 CNCc1ccncc1F 1P028IHS [1,1,0,0,0,0|1,0,0]=3 1920 B10R1.4 CNCc1ncccc1C 1P004GWM [1,1,0,0,0,0|1,0,0]=3 1921 B10R1.4 CNCc1ncccc1Cl 1P028SIC [1,1,0,0,0,0|1,0,0]=3 1922 B10R1.4 COCc1ccccc1Br 1P00DAT5 [1,1,0,0,0,0|1,0,0]=3 1923 B10R1.4 COCc1ccccc1N 1P019UQK [1,1,0,0,0,0|1,0,0]=3 1924 B10R1.4 COCc1ccccc1O 1P00EIVC [1,1,0,0,0,0|1,0,0]=3 1925 B10R1.4 COCc1cccnc1Br 1P01QOYF [1,1,0,0,0,0|2,0,0]=4 1926 B10R1.4 CSCc1ccccc1Br 1P01AM4A [1,1,0,0,0,0|1,0,0]=3 1927 B10R1.4 CSCc1ccccc1F 1P01DIBG [1,1,0,0,0,0|1,0,0]=3 1928 B10R1.4 CSCc1ccccc1N 1P01AC36 [1,1,0,0,0,0|1,0,0]=3 1929 B10R1.4 Cc1ccncc1CCN 1P01A10B [1,1,0,0,0,0|1,0,0]=3 1930 B10R1.4 Cc1ccncc1NCC 1P01BHHU [1,1,0,0,0,0|2,0,0]=4 1931 B10R1.4 Cc1ncccc1CCN 1P00E8BN [1,1,0,0,0,0|1,0,0]=3 1932 B10R1.4 Cc1ncccc1CNC 1P003I33 [1,1,0,0,0,0|1,0,0]=3 1933 B10R1.4 Cc1ncccc1NCC 1P01BHU6 [1,1,0,0,0,0|2,0,0]=4 1934 B10R1.4 Cc1nccnc1CCN 1P01AN51 [1,1,0,0,0,0|2,0,0]=4 1935 B10R1.4 ClCCc1ccccc1Br 1P01BE7C [1,1,0,0,0,0|1,0,0]=3 1936 B10R1.4 ClCCc1ccccc1C 1P0076GQ [1,1,0,0,0,0|1,0,0]=3 1937 B10R1.4 ClCCc1ccccc1Cl 1P0002MK [1,1,0,0,0,0|1,0,0]=3 1938 B10R1.4 ClCCc1ccccc1F 1P000Q40 [1,1,0,0,0,0|1,0,0]=3 1939 B10R1.4 ClCCc1ccncc1Br 1P028UZ5 [1,1,0,0,0,0|2,0,0]=4 1940 B10R1.4 ClCCn1ccccc1=O 1P021660 [1,1,0,0,0,0|2,0,0]=4 1941 B10R1.4 ClCOc1ccccc1F 1P01BK9I [1,1,0,0,0,0|2,0,0]=4 1942 B10R1.4 ClCSc1ccccc1C 1P01IES8 [1,1,0,0,0,0|2,0,0]=4 1943 B10R1.4 Clc1ncccc1CCCl 1P01EMD0 [1,1,0,0,0,0|2,0,0]=4 1944 B10R1.4 Fc1ncccc1CCCl 1P028QVG [1,1,0,0,0,0|2,0,0]=4 1945 B10R1.4 ICCc1ccccc1F 1P01BEPP [1,1,0,0,0,0|1,0,0]=3 1946 B10R1.4 N#CCc1ccccc1Br 1P0033NG [1,1,0,0,0,0|0,0,2]=4 1947 B10R1.4 N#CCc1ccccc1C 1P003BPV [1,1,0,0,0,0|0,0,2]=4 1948 B10R1.4 N#CCc1ccccc1Cl 1P002W6M [1,1,0,0,0,0|0,0,2]=4 1949 B10R1.4 N#CCc1ccccc1F 1P003HSC [1,1,0,0,0,0|0,0,2]=4 1950 B10R1.4 N#CCc1ccccc1I 1P003HXN [1,1,0,0,0,0|0,0,2]=4 1951 B10R1.4 N#CCc1ccccc1N 1P002ZPN [1,1,0,0,0,0|0,0,2]=4 1952 B10R1.4 N#CCc1ccccc1O 1P001F4B [1,1,0,0,0,0|0,0,2]=4 1953 B10R1.4 NCCc1ccccc1Br 1P0033NE [1,1,0,0,0,0|0,0,0]=2 1954 B10R1.4 NCCc1ccccc1Br 1P009XKK [1,1,0,0,0,0|0,0,0]=2 1955 B10R1.4 NCCc1ccccc1C 1P00IAEQ [1,1,0,0,0,0|0,0,0]=2 1956 B10R1.4 NCCc1ccccc1Cl 1P003F85 [1,1,0,0,0,0|0,0,0]=2 1957 B10R1.4 NCCc1ccccc1F 1P00DERZ [1,1,0,0,0,0|0,0,0]=2 1958 B10R1.4 NCCc1ccccc1I 1P005C61 [1,1,0,0,0,0|0,0,0]=2 1959 B10R1.4 NCCc1ccccc1N 1P000HRK [1,1,0,0,0,0|0,0,0]=2 1960 B10R1.4 NCCc1ccccc1N 1P00DED7 [1,1,0,0,0,0|0,0,0]=2 1961 B10R1.4 NCCc1ccccc1O 1P0029N4 [1,1,0,0,0,0|0,0,0]=2 1962 B10R1.4 NCCc1ccccc1O 1P019VVD [1,1,0,0,0,0|0,0,0]=2 1963 B10R1.4 NCCc1cccnc1Cl 1P028PPO [1,1,0,0,0,0|1,0,0]=3 1964 B10R1.4 NCCc1cccnc1F 1P028R5T [1,1,0,0,0,0|1,0,0]=3 1965 B10R1.4 NCCc1cccnc1O 1P027WOI [1,1,0,0,0,0|1,0,0]=3 1966 B10R1.4 NCCc1cccnc1O 1P028FLD [1,1,0,0,0,0|1,0,0]=3 1967 B10R1.4 NCCc1ccncc1Br 1P01ELK2 [1,1,0,0,0,0|1,0,0]=3 1968 B10R1.4 NCCc1ccncc1C 1P01A31B [1,1,0,0,0,0|1,0,0]=3 1969 B10R1.4 NCCc1ccncc1Cl 1P027XZC [1,1,0,0,0,0|1,0,0]=3 1970 B10R1.4 NCCc1ncccc1Br 1P006RZ7 [1,1,0,0,0,0|1,0,0]=3 1971 B10R1.4 NCCc1ncccc1C 1P004NE2 [1,1,0,0,0,0|1,0,0]=3 1972 B10R1.4 NCCc1ncccc1C 1P01C4WV [1,1,0,0,0,0|1,0,0]=3 1973 B10R1.4 NCCc1ncccc1F 1P00AO5H [1,1,0,0,0,0|1,0,0]=3 1974 B10R1.4 NCCn1ccccc1=O 1P00CAS4 [1,1,0,0,0,0|1,0,0]=3 1975 B10R1.4 NCCn1ccccc1=O 1P019ZY4 [1,1,0,0,0,0|1,0,0]=3 1976 B10R1.4 NCCn1cccnc1=O 1P01FJVP [1,1,0,0,0,0|2,0,0]=4 1977 B10R1.4 NCCn1cnccc1=O 1P01C4PJ [1,1,0,0,0,0|2,0,0]=4 1978 B10R1.4 NCCn1ncccc1=O 1P01AS7H [1,1,0,0,0,0|2,0,0]=4 1979 B10R1.4 NN=Cc1ccccc1O 1P00BLJ2 [1,1,0,0,0,0|1,0,1]=4 1980 B10R1.4 NNCc1ccccc1Br 1P00HUAC [1,1,0,0,0,0|1,0,0]=3 1981 B10R1.4 NNCc1ccccc1C 1P00J1XT [1,1,0,0,0,0|1,0,0]=3 1982 B10R1.4 NNCc1ccccc1Cl 1P00EM60 [1,1,0,0,0,0|1,0,0]=3 1983 B10R1.4 NNCc1ccccc1Cl 1P019D1I [1,1,0,0,0,0|1,0,0]=3 1984 B10R1.4 NNCc1ccccc1F 1P0015VJ [1,1,0,0,0,0|1,0,0]=3 1985 B10R1.4 NNCc1ccccc1F 1P003951 [1,1,0,0,0,0|1,0,0]=3 1986 B10R1.4 NNCc1ccccc1F 1P009GXI [1,1,0,0,0,0|1,0,0]=3 1987 B10R1.4 NNCc1ccccc1O 1P028ZMU [1,1,0,0,0,0|1,0,0]=3 1988 B10R1.4 NOCc1ccccc1C 1P008PH3 [1,1,0,0,0,0|1,0,0]=3 1989 B10R1.4 NOCc1ccccc1Cl 1P00DJ0J [1,1,0,0,0,0|1,0,0]=3 1990 B10R1.4 NOCc1ccccc1F 1P00BHGU [1,1,0,0,0,0|1,0,0]=3 1991 B10R1.4 Nc1ncccc1CCN 1P01EKM6 [1,1,0,0,0,0|1,0,0]=3 1992 B10R1.4 O=CCc1ccccc1Br 1P00IKAJ [1,1,0,0,0,0|1,0,1]=4 1993 B10R1.4 O=CCc1ccccc1Cl 1P00BZYQ [1,1,0,0,0,0|1,0,1]=4 1994 B10R1.4 O=CCc1ccccc1F 1P008QZL [1,1,0,0,0,0|1,0,1]=4 1995 B10R1.4 OCCc1cccc[n+]1C 1P01B5VE [1,1,0,0,0,0|2,0,0]=4 1996 B10R1.4 OCCc1ccccc1Br 1P0033B7 [1,1,0,0,0,0|1,0,0]=3 1997 B10R1.4 OCCc1ccccc1C 1P002BSO [1,1,0,0,0,0|1,0,0]=3 1998 B10R1.4 OCCc1ccccc1Cl 1P002BSP [1,1,0,0,0,0|1,0,0]=3 1999 B10R1.4 OCCc1ccccc1F 1P003HSQ [1,1,0,0,0,0|1,0,0]=3 2000 B10R1.4 OCCc1ccccc1I 1P002S0H [1,1,0,0,0,0|1,0,0]=3 2001 B10R1.4 OCCc1ccccc1N 1P0033L2 [1,1,0,0,0,0|1,0,0]=3 2002 B10R1.4 OCCc1ccccc1N 1P028P0Y [1,1,0,0,0,0|1,0,0]=3 2003 B10R1.4 OCCc1cccnc1Cl 1P01DVQ8 [1,1,0,0,0,0|2,0,0]=4 2004 B10R1.4 OCCc1cccnc1F 1P00B8Q6 [1,1,0,0,0,0|2,0,0]=4 2005 B10R1.4 OCCc1ccncc1Br 1P01DZQ5 [1,1,0,0,0,0|2,0,0]=4 2006 B10R1.4 OCCc1ccncc1C 1P01C3LX [1,1,0,0,0,0|2,0,0]=4 2007 B10R1.4 OCCc1ncccc1Br 1P000LZX [1,1,0,0,0,0|2,0,0]=4 2008 B10R1.4 OCCc1ncccc1C 1P00DDGW [1,1,0,0,0,0|2,0,0]=4 2009 B10R1.4 OCCc1ncccc1F 1P000177 [1,1,0,0,0,0|2,0,0]=4 2010 B10R1.4 OCCn1ccccc1=O 1P019YLA [1,1,0,0,0,0|2,0,0]=4 2011 B10R1.4 ONCc1ccccc1Cl 1P01BIC9 [1,1,0,0,0,0|1,0,0]=3 2012 B10R1.4 SCCc1ccccc1Cl 1P01EJ97 [1,1,0,0,0,0|1,0,0]=3 2013 B10R1.4 SCCc1ccccc1I 1P0025ZP [1,1,0,0,0,0|1,0,0]=3 2014 B10R1.4 [C-]#[N+]Cc1ccccc1Br 1P028XJM [1,1,0,0,0,0|0,0,2]=4 2015 B10R1.4 [NH3+]OCc1ccccc1Br 1P006VPJ [1,1,0,0,0,0|1,0,1]=4 2016 B10R1.10 BrCCc1cccc(c1)Br 1P003JLH [1,1,0,0,0,0|1,0,0]=3 2017 B10R1.10 BrCCc1cccc(c1)C 1P001Y74 [1,1,0,0,0,0|1,0,0]=3 2018 B10R1.10 BrCCc1cccc(c1)Cl 1P003JRP [1,1,0,0,0,0|1,0,0]=3 2019 B10R1.10 BrCCc1cccc(c1)F 1P002QNY [1,1,0,0,0,0|1,0,0]=3 2020 B10R1.10 C#CCc1cccc(c1)Cl 1P023JBT [1,1,0,0,0,0|0,0,2]=4 2021 B10R1.10 C=CCc1cccc(c1)Br 1P0024GG [1,1,0,0,0,0|0,0,2]=4 2022 B10R1.10 C=CCc1cccc(c1)C 1P003EDX [1,1,0,0,0,0|0,0,2]=4 2023 B10R1.10 C=CCc1cccc(c1)F 1P0032AM [1,1,0,0,0,0|0,0,2]=4 2024 B10R1.10 C=CCc1cccc(c1)O 1P001KAF [1,1,0,0,0,0|0,0,2]=4 2025 B10R1.10 CC#Cc1cccc(c1)Br 1P00658R [1,1,0,0,0,0|0,0,2]=4 2026 B10R1.10 CCCc1cc(Br)ccn1 1P00IKJL [1,1,0,0,0,0|1,0,0]=3 2027 B10R1.10 CCCc1cc(Cl)ncn1 1P019XCM [1,1,0,0,0,0|2,0,0]=4 2028 B10R1.10 CCCc1cccc(c1)Br 1P002BVS [1,1,0,0,0,0|0,0,0]=2 2029 B10R1.10 CCCc1cccc(c1)Cl 1P00F1D1 [1,1,0,0,0,0|0,0,0]=2 2030 B10R1.10 CCCc1cccc(c1)F 1P002W84 [1,1,0,0,0,0|0,0,0]=2 2031 B10R1.10 CCCc1cccc(c1)N 1P01A0L3 [1,1,0,0,0,0|0,0,0]=2 2032 B10R1.10 CCCc1cccc(c1)N 1P01B8B7 [1,1,0,0,0,0|0,0,0]=2 2033 B10R1.10 CCCc1cccc(c1)O 1P003KAZ [1,1,0,0,0,0|0,0,0]=2 2034 B10R1.10 CCCc1cccc(n1)N 1P00C7SD [1,1,0,0,0,0|1,0,0]=3 2035 B10R1.10 CCCc1cn[nH]c(=O)c1 1P0284RS [1,1,0,0,0,0|2,0,0]=4 2036 B10R1.10 CCCc1cncc(c1)O 1P01B7H3 [1,1,0,0,0,0|1,0,0]=3 2037 B10R1.10 CCCc1cnnc(c1)Cl 1P0285RA [1,1,0,0,0,0|2,0,0]=4 2038 B10R1.10 CCCc1cnnc(c1)N 1P028V6I [1,1,0,0,0,0|2,0,0]=4 2039 B10R1.10 CCCc1nccc(n1)N 1P0003MS [1,1,0,0,0,0|2,0,0]=4 2040 B10R1.10 CCNc1cc(Cl)ccn1 1P00HDEM [1,1,0,0,0,0|2,0,0]=4 2041 B10R1.10 CCNc1cc(N)ccn1 1P003X1E [1,1,0,0,0,0|2,0,0]=4 2042 B10R1.10 CCNc1cc[nH]c(=O)c1 1P02235S [1,1,0,0,0,0|2,0,0]=4 2043 B10R1.10 CCNc1cccc(c1)Br 1P00CRQM [1,1,0,0,0,0|1,0,0]=3 2044 B10R1.10 CCNc1cccc(c1)Br 1P019NBM [1,1,0,0,0,0|1,0,0]=3 2045 B10R1.10 CCNc1cccc(c1)C 1P0006PN [1,1,0,0,0,0|1,0,0]=3 2046 B10R1.10 CCNc1cccc(c1)Cl 1P00ABHB [1,1,0,0,0,0|1,0,0]=3 2047 B10R1.10 CCNc1cccc(c1)F 1P00I5LO [1,1,0,0,0,0|1,0,0]=3 2048 B10R1.10 CCNc1cccc(c1)F 1P019WHA [1,1,0,0,0,0|1,0,0]=3 2049 B10R1.10 CCNc1cccc(c1)N 1P006XSQ [1,1,0,0,0,0|1,0,0]=3 2050 B10R1.10 CCNc1cccc(c1)O 1P000XKE [1,1,0,0,0,0|1,0,0]=3 2051 B10R1.10 CCNc1cccc(c1)O 1P00EUNZ [1,1,0,0,0,0|1,0,0]=3 2052 B10R1.10 CCNc1ccnc(c1)Cl 1P00H5W0 [1,1,0,0,0,0|2,0,0]=4 2053 B10R1.10 CCOc1cc(Br)ccn1 1P00EGBH [1,1,0,0,0,0|2,0,0]=4 2054 B10R1.10 CCOc1cc(N)ccn1 1P003L57 [1,1,0,0,0,0|2,0,0]=4 2055 B10R1.10 CCOc1cccc(=N)[nH]1 1P0058P0 [1,1,0,0,0,0|2,0,0]=4 2056 B10R1.10 CCOc1cccc(c1)Br 1P002U57 [1,1,0,0,0,0|1,0,0]=3 2057 B10R1.10 CCOc1cccc(c1)F 1P00I906 [1,1,0,0,0,0|1,0,0]=3 2058 B10R1.10 CCOc1cccc(c1)I 1P00BG0X [1,1,0,0,0,0|1,0,0]=3 2059 B10R1.10 CCOc1cccc(c1)N 1P0037EN [1,1,0,0,0,0|1,0,0]=3 2060 B10R1.10 CCOc1cccc(c1)O 1P003JUL [1,1,0,0,0,0|1,0,0]=3 2061 B10R1.10 CCOc1cccc(c1)S 1P003JUE [1,1,0,0,0,0|1,0,0]=3 2062 B10R1.10 CCOc1cccc(n1)Br 1P003H7B [1,1,0,0,0,0|2,0,0]=4 2063 B10R1.10 CCOc1cccc(n1)C 1P00ANFJ [1,1,0,0,0,0|2,0,0]=4 2064 B10R1.10 CCOc1cccc(n1)Cl 1P003HGT [1,1,0,0,0,0|2,0,0]=4 2065 B10R1.10 CCOc1cccc(n1)F 1P004NYZ [1,1,0,0,0,0|2,0,0]=4 2066 B10R1.10 CCOc1cccc(n1)N 1P01B7WC [1,1,0,0,0,0|2,0,0]=4 2067 B10R1.10 CCOc1ccnc(c1)Br 1P00AD6A [1,1,0,0,0,0|2,0,0]=4 2068 B10R1.10 CCOc1ccnc(c1)Cl 1P003HDO [1,1,0,0,0,0|2,0,0]=4 2069 B10R1.10 CCOc1ccnc(c1)F 1P0021S3 [1,1,0,0,0,0|2,0,0]=4 2070 B10R1.10 CCOc1ccnc(c1)N 1P003GVT [1,1,0,0,0,0|2,0,0]=4 2071 B10R1.10 CCOc1cncc(c1)Br 1P0078AD [1,1,0,0,0,0|2,0,0]=4 2072 B10R1.10 CCOc1cncc(c1)N 1P00DGRJ [1,1,0,0,0,0|2,0,0]=4 2073 B10R1.10 CCSc1cccc(=O)[nH]1 1P01DWC2 [1,1,0,0,0,0|2,0,0]=4 2074 B10R1.10 CCSc1cccc(c1)Br 1P0023MI [1,1,0,0,0,0|1,0,0]=3 2075 B10R1.10 CCSc1cccc(c1)C 1P00CURM [1,1,0,0,0,0|1,0,0]=3 2076 B10R1.10 CCSc1cccc(c1)N 1P0026DH [1,1,0,0,0,0|1,0,0]=3 2077 B10R1.10 CCSc1ccnc(c1)Cl 1P019TAJ [1,1,0,0,0,0|2,0,0]=4 2078 B10R1.10 CNCc1cc(Cl)ccn1 1P00H4HS [1,1,0,0,0,0|1,0,0]=3 2079 B10R1.10 CNCc1cc(Cl)ccn1 1P01FJ5P [1,1,0,0,0,0|1,0,0]=3 2080 B10R1.10 CNCc1cc(N)ccn1 1P01ON9H [1,1,0,0,0,0|1,0,0]=3 2081 B10R1.10 CNCc1cc(O)ccn1 1P0289ZZ [1,1,0,0,0,0|1,0,0]=3 2082 B10R1.10 CNCc1cccc(=O)[nH]1 1P01EJJL [1,1,0,0,0,0|1,0,0]=3 2083 B10R1.10 CNCc1cccc(c1)Br 1P003C82 [1,1,0,0,0,0|0,0,0]=2 2084 B10R1.10 CNCc1cccc(c1)Br 1P003TNA [1,1,0,0,0,0|0,0,0]=2 2085 B10R1.10 CNCc1cccc(c1)C 1P003K89 [1,1,0,0,0,0|0,0,0]=2 2086 B10R1.10 CNCc1cccc(c1)C 1P028EM9 [1,1,0,0,0,0|0,0,0]=2 2087 B10R1.10 CNCc1cccc(c1)Cl 1P003JRN [1,1,0,0,0,0|0,0,0]=2 2088 B10R1.10 CNCc1cccc(c1)Cl 1P006R42 [1,1,0,0,0,0|0,0,0]=2 2089 B10R1.10 CNCc1cccc(c1)F 1P003C90 [1,1,0,0,0,0|0,0,0]=2 2090 B10R1.10 CNCc1cccc(c1)I 1P01RCKU [1,1,0,0,0,0|0,0,0]=2 2091 B10R1.10 CNCc1cccc(c1)N 1P003JE0 [1,1,0,0,0,0|0,0,0]=2 2092 B10R1.10 CNCc1cccc(c1)O 1P000LPH [1,1,0,0,0,0|0,0,0]=2 2093 B10R1.10 CNCc1cccc(n1)Br 1P00FM76 [1,1,0,0,0,0|1,0,0]=3 2094 B10R1.10 CNCc1cccc(n1)Br 1P028O9D [1,1,0,0,0,0|1,0,0]=3 2095 B10R1.10 CNCc1cccc(n1)C 1P005V6F [1,1,0,0,0,0|1,0,0]=3 2096 B10R1.10 CNCc1cccc(n1)C 1P01AKXB [1,1,0,0,0,0|1,0,0]=3 2097 B10R1.10 CNCc1cccc(n1)Cl 1P028Q45 [1,1,0,0,0,0|1,0,0]=3 2098 B10R1.10 CNCc1ccnc(c1)C 1P00ADF3 [1,1,0,0,0,0|1,0,0]=3 2099 B10R1.10 CNCc1ccnc(c1)Cl 1P005HCY [1,1,0,0,0,0|1,0,0]=3 2100 B10R1.10 CNCc1cncc(c1)Br 1P00FDLE [1,1,0,0,0,0|1,0,0]=3 2101 B10R1.10 CNCc1cncc(c1)Br 1P0282KH [1,1,0,0,0,0|1,0,0]=3 2102 B10R1.10 CNCc1cncc(c1)F 1P01JLRI [1,1,0,0,0,0|1,0,0]=3 2103 B10R1.10 CNCc1nccc(c1)C 1P028TVU [1,1,0,0,0,0|1,0,0]=3 2104 B10R1.10 COCc1cccc(c1)Br 1P001NU4 [1,1,0,0,0,0|1,0,0]=3 2105 B10R1.10 COCc1cccc(c1)C 1P01H9A5 [1,1,0,0,0,0|1,0,0]=3 2106 B10R1.10 COCc1cccc(c1)N 1P003IPB [1,1,0,0,0,0|1,0,0]=3 2107 B10R1.10 COCc1cccc(c1)O 1P00IANX [1,1,0,0,0,0|1,0,0]=3 2108 B10R1.10 COCc1cccc(n1)Br 1P00921P [1,1,0,0,0,0|2,0,0]=4 2109 B10R1.10 COCc1cccc(n1)C 1P01IP80 [1,1,0,0,0,0|2,0,0]=4 2110 B10R1.10 COCc1ccnc(c1)Br 1P000Z3V [1,1,0,0,0,0|2,0,0]=4 2111 B10R1.10 COCc1ccnc(c1)Cl 1P000NEB [1,1,0,0,0,0|2,0,0]=4 2112 B10R1.10 COCc1ccnc(c1)N 1P01C722 [1,1,0,0,0,0|2,0,0]=4 2113 B10R1.10 COCc1cncc(c1)Br 1P001ZTN [1,1,0,0,0,0|2,0,0]=4 2114 B10R1.10 CSCc1cccc(c1)Br 1P00ID71 [1,1,0,0,0,0|1,0,0]=3 2115 B10R1.10 CSCc1cccc(c1)F 1P01DIBF [1,1,0,0,0,0|1,0,0]=3 2116 B10R1.10 CSCc1cccc(c1)N 1P01AHLX [1,1,0,0,0,0|1,0,0]=3 2117 B10R1.10 CSCc1ccnc(c1)Cl 1P01A4FZ [1,1,0,0,0,0|2,0,0]=4 2118 B10R1.10 CSCc1ccnc(c1)N 1P00ASZV [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.10 Cc1cccc(n1)CCBr 1P00J2ET [1,1,0,0,0,0|2,0,0]=4 2120 B10R1.10 Cc1cccc(n1)CCN 1P003FF8 [1,1,0,0,0,0|1,0,0]=3 2121 B10R1.10 Cc1cccc(n1)CCO 1P00GRQ8 [1,1,0,0,0,0|2,0,0]=4 2122 B10R1.10 ClCCc1cccc(c1)C 1P00CS1D [1,1,0,0,0,0|1,0,0]=3 2123 B10R1.10 ClCCc1cccc(c1)Cl 1P00DRJV [1,1,0,0,0,0|1,0,0]=3 2124 B10R1.10 ClCCc1cccc(c1)F 1P00CRES [1,1,0,0,0,0|1,0,0]=3 2125 B10R1.10 ClCCc1cncc(c1)F 1P01EM8Z [1,1,0,0,0,0|2,0,0]=4 2126 B10R1.10 Clc1cc(CCBr)ncc1 1P0291JG [1,1,0,0,0,0|2,0,0]=4 2127 B10R1.10 FCCc1cccc(c1)N 1P028L7R [1,1,0,0,0,0|1,0,0]=3 2128 B10R1.10 FCOc1cccc(c1)Br 1P0201BO [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.10 FCOc1cccc(c1)I 1P0293OZ [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.10 FCOc1cccc(c1)N 1P027WRY [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.10 N#CCc1cccc(c1)Br 1P003JLJ [1,1,0,0,0,0|0,0,2]=4 2132 B10R1.10 N#CCc1cccc(c1)C 1P002YYS [1,1,0,0,0,0|0,0,2]=4 2133 B10R1.10 N#CCc1cccc(c1)Cl 1P003JRW [1,1,0,0,0,0|0,0,2]=4 2134 B10R1.10 N#CCc1cccc(c1)F 1P003JYA [1,1,0,0,0,0|0,0,2]=4 2135 B10R1.10 N#CCc1cccc(c1)I 1P000VBA [1,1,0,0,0,0|0,0,2]=4 2136 B10R1.10 N#CCc1cccc(c1)N 1P00DA3L [1,1,0,0,0,0|0,0,2]=4 2137 B10R1.10 N#CCc1cccc(c1)O 1P0038M2 [1,1,0,0,0,0|0,0,2]=4 2138 B10R1.10 NCCc1cc(Br)ncn1 1P028S37 [1,1,0,0,0,0|2,0,0]=4 2139 B10R1.10 NCCc1cc(O)ncn1 1P0280WI [1,1,0,0,0,0|2,0,0]=4 2140 B10R1.10 NCCc1cccc(=O)[nH]1 1P00J3AI [1,1,0,0,0,0|1,0,0]=3 2141 B10R1.10 NCCc1cccc(c1)Br 1P0037LP [1,1,0,0,0,0|0,0,0]=2 2142 B10R1.10 NCCc1cccc(c1)C 1P00DEU2 [1,1,0,0,0,0|0,0,0]=2 2143 B10R1.10 NCCc1cccc(c1)C 1P00DGLD [1,1,0,0,0,0|0,0,0]=2 2144 B10R1.10 NCCc1cccc(c1)Cl 1P003JRS [1,1,0,0,0,0|0,0,0]=2 2145 B10R1.10 NCCc1cccc(c1)F 1P003JY5 [1,1,0,0,0,0|0,0,0]=2 2146 B10R1.10 NCCc1cccc(c1)I 1P01FXNY [1,1,0,0,0,0|0,0,0]=2 2147 B10R1.10 NCCc1cccc(c1)I 1P027YWC [1,1,0,0,0,0|0,0,0]=2 2148 B10R1.10 NCCc1cccc(c1)N 1P004DKM [1,1,0,0,0,0|0,0,0]=2 2149 B10R1.10 NCCc1cccc(c1)N 1P00G36E [1,1,0,0,0,0|0,0,0]=2 2150 B10R1.10 NCCc1cccc(c1)O 1P003K1G [1,1,0,0,0,0|0,0,0]=2 2151 B10R1.10 NCCc1cccc(c1)O 1P00C9GZ [1,1,0,0,0,0|0,0,0]=2 2152 B10R1.10 NCCc1cccc(c1)O 1P00EA8W [1,1,0,0,0,0|0,0,0]=2 2153 B10R1.10 NCCc1cccc(n1)F 1P01A0E1 [1,1,0,0,0,0|1,0,0]=3 2154 B10R1.10 NCCc1ccnc(c1)C 1P00F9NH [1,1,0,0,0,0|1,0,0]=3 2155 B10R1.10 NCCc1ccnc(c1)C 1P01EIKC [1,1,0,0,0,0|1,0,0]=3 2156 B10R1.10 NCCc1ccnc(c1)Cl 1P028Z1X [1,1,0,0,0,0|1,0,0]=3 2157 B10R1.10 NCCc1ccnc(c1)F 1P023ZSI [1,1,0,0,0,0|1,0,0]=3 2158 B10R1.10 NCCc1ccnc(c1)N 1P01B38D [1,1,0,0,0,0|1,0,0]=3 2159 B10R1.10 NCCc1ccnc(c1)O 1P01BY6E [1,1,0,0,0,0|1,0,0]=3 2160 B10R1.10 NCCc1ccnc(n1)C 1P028RYD [1,1,0,0,0,0|2,0,0]=4 2161 B10R1.10 NCCc1ccnc(n1)N 1P027WCC [1,1,0,0,0,0|2,0,0]=4 2162 B10R1.10 NCCc1ccnc(n1)O 1P0289IN [1,1,0,0,0,0|2,0,0]=4 2163 B10R1.10 NCCc1cncc(c1)F 1P0095P2 [1,1,0,0,0,0|1,0,0]=3 2164 B10R1.10 NCCc1cncc(c1)O 1P01B87N [1,1,0,0,0,0|1,0,0]=3 2165 B10R1.10 NCCc1nccc(=O)[nH]1 1P027KCX [1,1,0,0,0,0|2,0,0]=4 2166 B10R1.10 NCCc1nccc(n1)C 1P01DXCF [1,1,0,0,0,0|2,0,0]=4 2167 B10R1.10 NCCc1ncnc(c1)O 1P0289J1 [1,1,0,0,0,0|2,0,0]=4 2168 B10R1.10 NNCc1cccc(c1)Br 1P019ZHS [1,1,0,0,0,0|1,0,0]=3 2169 B10R1.10 NNCc1cccc(c1)Br 1P01DDSX [1,1,0,0,0,0|1,0,0]=3 2170 B10R1.10 NNCc1cccc(c1)C 1P00J1XM [1,1,0,0,0,0|1,0,0]=3 2171 B10R1.10 NNCc1cccc(c1)C 1P028PB6 [1,1,0,0,0,0|1,0,0]=3 2172 B10R1.10 NNCc1cccc(c1)Cl 1P000RQ2 [1,1,0,0,0,0|1,0,0]=3 2173 B10R1.10 NNCc1cccc(c1)Cl 1P002RTJ [1,1,0,0,0,0|1,0,0]=3 2174 B10R1.10 NNCc1cccc(c1)F 1P0001BT [1,1,0,0,0,0|1,0,0]=3 2175 B10R1.10 NNCc1cccc(c1)F 1P01A12G [1,1,0,0,0,0|1,0,0]=3 2176 B10R1.10 NNCc1cccc(c1)O 1P003K10 [1,1,0,0,0,0|1,0,0]=3 2177 B10R1.10 NNCc1cccc(n1)C 1P01B78Y [1,1,0,0,0,0|2,0,0]=4 2178 B10R1.10 NNCc1cncc(c1)F 1P028MND [1,1,0,0,0,0|2,0,0]=4 2179 B10R1.10 NOCc1cccc(c1)Cl 1P002ZCM [1,1,0,0,0,0|1,0,0]=3 2180 B10R1.10 NOCc1cccc(c1)Cl 1P01T5T0 [1,1,0,0,0,0|1,0,0]=3 2181 B10R1.10 NOCc1cccc(c1)F 1P00DCMO [1,1,0,0,0,0|1,0,0]=3 2182 B10R1.10 NOCc1cccc(n1)C 1P01AG90 [1,1,0,0,0,0|2,0,0]=4 2183 B10R1.10 NOCc1cccc(n1)Cl 1P00BB7Z [1,1,0,0,0,0|2,0,0]=4 2184 B10R1.10 Nc1cc(CCO)ncc1 1P009SDJ [1,1,0,0,0,0|2,0,0]=4 2185 B10R1.10 Nc1cccc(n1)CCO 1P009SDH [1,1,0,0,0,0|2,0,0]=4 2186 B10R1.10 O=CCc1cccc(c1)Br 1P008SJJ [1,1,0,0,0,0|1,0,1]=4 2187 B10R1.10 O=CCc1cccc(c1)C 1P005ZAB [1,1,0,0,0,0|1,0,1]=4 2188 B10R1.10 O=CCc1cccc(c1)Cl 1P00BZE9 [1,1,0,0,0,0|1,0,1]=4 2189 B10R1.10 O=CCc1cccc(c1)F 1P00G36B [1,1,0,0,0,0|1,0,1]=4 2190 B10R1.10 OCCc1cc(Br)ccn1 1P005W1Y [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.10 OCCc1cccc(c1)Br 1P00343L [1,1,0,0,0,0|1,0,0]=3 2192 B10R1.10 OCCc1cccc(c1)C 1P0075A6 [1,1,0,0,0,0|1,0,0]=3 2193 B10R1.10 OCCc1cccc(c1)Cl 1P003JRR [1,1,0,0,0,0|1,0,0]=3 2194 B10R1.10 OCCc1cccc(c1)F 1P003JY4 [1,1,0,0,0,0|1,0,0]=3 2195 B10R1.10 OCCc1cccc(c1)N 1P00D8JE [1,1,0,0,0,0|1,0,0]=3 2196 B10R1.10 OCCc1cccc(c1)O 1P0071LP [1,1,0,0,0,0|1,0,0]=3 2197 B10R1.10 OCCc1cccc(n1)Br 1P00376A [1,1,0,0,0,0|2,0,0]=4 2198 B10R1.10 OCCc1ccnc(c1)Br 1P020KUY [1,1,0,0,0,0|2,0,0]=4 2199 B10R1.10 OCCc1cncc(c1)Br 1P01DZ2M [1,1,0,0,0,0|2,0,0]=4 2200 B10R1.10 OCCc1cncc(c1)F 1P01JUHV [1,1,0,0,0,0|2,0,0]=4 2201 B10R1.10 SCCc1cccc(c1)C 1P01FFL5 [1,1,0,0,0,0|1,0,0]=3 2202 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl 1P007W6T [1,1,0,0,0,0|0,0,2]=4 2203 B10R1.15 *CC(c1ccccc1)* 1P0035YN [1,1,0,0,0,0|1,0,0]=3 2204 B10R1.15 BrC(c1ccccc1)C#N 1P00EJ05 [1,1,0,0,0,0|0,0,2]=4 2205 B10R1.15 BrCC(=C)c1ccccc1 1P00BYL9 [1,1,0,0,0,0|1,0,1]=4 2206 B10R1.15 BrCC(=O)c1ccccc1 1P0033MP [1,1,0,0,0,0|1,0,1]=4 2207 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [1,1,0,0,0,0|1,0,0]=3 2208 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [1,1,0,0,0,0|1,0,0]=3 2209 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [1,1,0,0,0,0|1,0,0]=3 2210 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [1,1,0,0,0,0|1,0,0]=3 2211 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [1,1,0,0,0,0|1,0,0]=3 2212 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [1,1,0,0,0,0|1,0,0]=3 2213 B10R1.15 C=CC(c1ccccc1)Cl 1P003VS1 [1,1,0,0,0,0|0,0,2]=4 2214 B10R1.15 C=CC(c1ccccc1)Cl 1P00DC4E [1,1,0,0,0,0|0,0,2]=4 2215 B10R1.15 C=CC(c1ccccc1)N 1P00IWY6 [1,1,0,0,0,0|0,0,2]=4 2216 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [1,1,0,0,0,0|0,0,2]=4 2217 B10R1.15 C=C[C@@H](c1ccccc1)N 1P01KKJG [1,1,0,0,0,0|0,0,2]=4 2218 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KK9A [1,1,0,0,0,0|0,0,2]=4 2219 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KKHY [1,1,0,0,0,0|0,0,2]=4 2220 B10R1.15 CC(c1ccccc1)C#C 1P00DBLO [1,1,0,0,0,0|0,0,2]=4 2221 B10R1.15 CC(c1ccccc1)C#N 1P00242Z [1,1,0,0,0,0|0,0,2]=4 2222 B10R1.15 CC(c1ccccc1)[N+]#[C-] 1P001Z7Z [1,1,0,0,0,0|0,0,2]=4 2223 B10R1.15 CC(c1cnccn1)CN 1P018SI7 [1,1,0,0,0,0|2,0,0]=4 2224 B10R1.15 CC=C(c1ccccc1)C 1P002K1A [1,1,0,0,0,0|0,0,2]=4 2225 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [1,1,0,0,0,0|0,0,1]=3 2226 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [1,1,0,0,0,0|0,0,1]=3 2227 B10R1.15 CCC(=O)c1ccccn1 1P0033WA [1,1,0,0,0,0|1,0,1]=4 2228 B10R1.15 CCC(=O)c1cccnc1 1P003KCR [1,1,0,0,0,0|1,0,1]=4 2229 B10R1.15 CCC(=O)c1ccncc1 1P003DKY [1,1,0,0,0,0|1,0,1]=4 2230 B10R1.15 CCC(=O)c1ccncc1 1P028X9W [1,1,0,0,0,0|1,0,1]=4 2231 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [1,1,0,0,0,0|0,0,0]=2 2232 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [1,1,0,0,0,0|0,0,0]=2 2233 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [1,1,0,0,0,0|0,0,0]=2 2234 B10R1.15 CCC(c1ccccc1)N 1P003F3H [1,1,0,0,0,0|0,0,0]=2 2235 B10R1.15 CCC(c1ccccc1)S 1P01A000 [1,1,0,0,0,0|0,0,0]=2 2236 B10R1.15 CCC(c1ccccn1)N 1P0001KW [1,1,0,0,0,0|1,0,0]=3 2237 B10R1.15 CCC(c1ccccn1)N 1P00J25M [1,1,0,0,0,0|1,0,0]=3 2238 B10R1.15 CCC(c1cccnc1)N 1P000K5S [1,1,0,0,0,0|1,0,0]=3 2239 B10R1.15 CCC(c1cccnc1)N 1P003DEE [1,1,0,0,0,0|1,0,0]=3 2240 B10R1.15 CCC(c1ccncc1)N 1P00EEVC [1,1,0,0,0,0|1,0,0]=3 2241 B10R1.15 CCC(c1ccncc1)N 1P01JV71 [1,1,0,0,0,0|1,0,0]=3 2242 B10R1.15 CCC(c1ncccn1)N 1P01CAMO [1,1,0,0,0,0|2,0,0]=4 2243 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [1,1,0,0,0,0|0,0,0]=2 2244 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [1,1,0,0,0,0|0,0,0]=2 2245 B10R1.15 CC[C@@H](c1ccncc1)N 1P00BBD4 [1,1,0,0,0,0|1,0,0]=3 2246 B10R1.15 CC[C@@H](c1ccncc1)N 1P00HVU4 [1,1,0,0,0,0|1,0,0]=3 2247 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [1,1,0,0,0,0|0,0,0]=2 2248 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [1,1,0,0,0,0|0,0,0]=2 2249 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [1,1,0,0,0,0|1,0,0]=3 2250 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [1,1,0,0,0,0|1,0,0]=3 2251 B10R1.15 CC[C@H](c1ccncc1)N 1P00HRY1 [1,1,0,0,0,0|1,0,0]=3 2252 B10R1.15 CNC(=N)c1ccccc1 1P01BBOA [1,1,0,0,0,0|0,0,1]=3 2253 B10R1.15 CNC(=N)c1ccccn1 1P028I43 [1,1,0,0,0,0|1,0,1]=4 2254 B10R1.15 CNC(=N)c1cccnc1 1P01B6ZK [1,1,0,0,0,0|1,0,1]=4 2255 B10R1.15 CNC(=O)c1ccccc1 1P003TNT [1,1,0,0,0,0|0,0,1]=3 2256 B10R1.15 CNC(=O)c1ccccn1 1P00EFMA [1,1,0,0,0,0|1,0,1]=4 2257 B10R1.15 CNC(=O)c1cccnc1 1P000AQ4 [1,1,0,0,0,0|1,0,1]=4 2258 B10R1.15 CNC(=S)c1ccccc1 1P00E16P [1,1,0,0,0,0|0,0,1]=3 2259 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [1,1,0,0,0,0|0,0,0]=2 2260 B10R1.15 CNC(c1ccccc1)C 1P00C63A [1,1,0,0,0,0|0,0,0]=2 2261 B10R1.15 CNC(c1ccccn1)C 1P008W2I [1,1,0,0,0,0|1,0,0]=3 2262 B10R1.15 CNC(c1ccccn1)C 1P00J3U5 [1,1,0,0,0,0|1,0,0]=3 2263 B10R1.15 CNC(c1ccccn1)C 1P019VP7 [1,1,0,0,0,0|1,0,0]=3 2264 B10R1.15 CNC(c1cccnc1)C 1P008VWL [1,1,0,0,0,0|1,0,0]=3 2265 B10R1.15 CNC(c1cccnc1)C 1P00J3UA [1,1,0,0,0,0|1,0,0]=3 2266 B10R1.15 CNC(c1cccnc1)C 1P019VP6 [1,1,0,0,0,0|1,0,0]=3 2267 B10R1.15 CNC(c1ccncc1)C 1P001RII [1,1,0,0,0,0|1,0,0]=3 2268 B10R1.15 CNC(c1ccncc1)C 1P00J3HT [1,1,0,0,0,0|1,0,0]=3 2269 B10R1.15 CNC(c1ccncc1)C 1P00J3UG [1,1,0,0,0,0|1,0,0]=3 2270 B10R1.15 CNC(c1ccncn1)C 1P00J3U3 [1,1,0,0,0,0|2,0,0]=4 2271 B10R1.15 CNC(c1ccnnc1)C 1P027UXS [1,1,0,0,0,0|2,0,0]=4 2272 B10R1.15 CNC(c1ncccn1)C 1P028D2F [1,1,0,0,0,0|2,0,0]=4 2273 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [1,1,0,0,0,0|0,0,0]=2 2274 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [1,1,0,0,0,0|0,0,0]=2 2275 B10R1.15 CN[C@@H](c1cccnc1)C 1P01FKUY [1,1,0,0,0,0|1,0,0]=3 2276 B10R1.15 CN[C@@H](c1ccncc1)C 1P0281L9 [1,1,0,0,0,0|1,0,0]=3 2277 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [1,1,0,0,0,0|0,0,0]=2 2278 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [1,1,0,0,0,0|0,0,0]=2 2279 B10R1.15 CN[C@H](c1cccnc1)C 1P01FKUX [1,1,0,0,0,0|1,0,0]=3 2280 B10R1.15 CN[C@H](c1ccncc1)C 1P01FKUZ [1,1,0,0,0,0|1,0,0]=3 2281 B10R1.15 CN[C@H](c1ccncc1)C 1P024UA1 [1,1,0,0,0,0|1,0,0]=3 2282 B10R1.15 COC(=N)c1ccccc1 1P003SG1 [1,1,0,0,0,0|1,0,1]=4 2283 B10R1.15 COC(=O)c1ccccc1 1P00IHWQ [1,1,0,0,0,0|1,0,1]=4 2284 B10R1.15 COS(=O)c1ccccc1 1P0035P8 [1,1,0,0,0,0|2,0,0]=4 2285 B10R1.15 CSC(=S)c1ccccc1 1P007PX1 [1,1,0,0,0,0|1,0,1]=4 2286 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [1,1,0,0,0,0|1,0,0]=3 2287 B10R1.15 ClCS(=O)c1ccccc1 1P003BRN [1,1,0,0,0,0|2,0,0]=4 2288 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [1,1,0,0,0,0|1,0,0]=3 2289 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [1,1,0,0,0,0|1,0,0]=3 2290 B10R1.15 FC(c1ccccc1)C#N 1P01ACVI [1,1,0,0,0,0|0,0,2]=4 2291 B10R1.15 FCC(=O)c1ccccc1 1P00I8Y0 [1,1,0,0,0,0|1,0,1]=4 2292 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [1,1,0,0,0,0|1,0,0]=3 2293 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [1,1,0,0,0,0|1,0,0]=3 2294 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [1,1,0,0,0,0|1,0,0]=3 2295 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [1,1,0,0,0,0|1,0,0]=3 2296 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [1,1,0,0,0,0|1,0,0]=3 2297 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [1,1,0,0,0,0|1,0,0]=3 2298 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [1,1,0,0,0,0|1,0,0]=3 2299 B10R1.15 NC(c1ccccc1)C#C 1P01BGT7 [1,1,0,0,0,0|0,0,2]=4 2300 B10R1.15 NC(c1ccccc1)C#N 1P00AMGH [1,1,0,0,0,0|0,0,2]=4 2301 B10R1.15 NCC(=C)c1ccccc1 1P019VHO [1,1,0,0,0,0|0,0,1]=3 2302 B10R1.15 NCC(=O)c1ccccc1 1P007ACW [1,1,0,0,0,0|0,0,1]=3 2303 B10R1.15 NCC(=O)c1ccccc1 1P00IA8E [1,1,0,0,0,0|0,0,1]=3 2304 B10R1.15 NCC(=O)c1ccccn1 1P00DIEH [1,1,0,0,0,0|1,0,1]=4 2305 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [1,1,0,0,0,0|1,0,1]=4 2306 B10R1.15 NCC(=O)c1ccncc1 1P00DIEI [1,1,0,0,0,0|1,0,1]=4 2307 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [1,1,0,0,0,0|0,0,0]=2 2308 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [1,1,0,0,0,0|0,0,0]=2 2309 B10R1.15 NCC(c1ccccc1)N 1P001X54 [1,1,0,0,0,0|0,0,0]=2 2310 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [1,1,0,0,0,0|0,0,0]=2 2311 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [1,1,0,0,0,0|0,0,0]=2 2312 B10R1.15 NCC(c1ccccn1)O 1P00GSPR [1,1,0,0,0,0|1,0,0]=3 2313 B10R1.15 NCC(c1ccccn1)O 1P00H3HR [1,1,0,0,0,0|1,0,0]=3 2314 B10R1.15 NCC(c1ccccn1)O 1P019LWP [1,1,0,0,0,0|1,0,0]=3 2315 B10R1.15 NCC(c1cccnc1)O 1P006JYO [1,1,0,0,0,0|1,0,0]=3 2316 B10R1.15 NCC(c1cccnc1)O 1P009SDI [1,1,0,0,0,0|1,0,0]=3 2317 B10R1.15 NCC(c1cccnc1)O 1P00J1VN [1,1,0,0,0,0|1,0,0]=3 2318 B10R1.15 NCC(c1ccncc1)C 1P019ULY [1,1,0,0,0,0|1,0,0]=3 2319 B10R1.15 NCC(c1ccncc1)C 1P028YSF [1,1,0,0,0,0|1,0,0]=3 2320 B10R1.15 NCC(c1ccncc1)O 1P00IGKE [1,1,0,0,0,0|1,0,0]=3 2321 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [1,1,0,0,0,0|0,0,0]=2 2322 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [1,1,0,0,0,0|0,0,0]=2 2323 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [1,1,0,0,0,0|0,0,0]=2 2324 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [1,1,0,0,0,0|0,0,0]=2 2325 B10R1.15 NC[C@@H](c1cccnc1)O 1P007FVE [1,1,0,0,0,0|1,0,0]=3 2326 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [1,1,0,0,0,0|0,0,0]=2 2327 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [1,1,0,0,0,0|0,0,0]=2 2328 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [1,1,0,0,0,0|0,0,0]=2 2329 B10R1.15 NC[C@H](c1cccnc1)O 1P001H7V [1,1,0,0,0,0|1,0,0]=3 2330 B10R1.15 NNC(=N)c1ccccc1 1P002X41 [1,1,0,0,0,0|1,0,1]=4 2331 B10R1.15 NNC(=O)c1ccccc1 1P003OJR [1,1,0,0,0,0|1,0,1]=4 2332 B10R1.15 NNC(=S)c1ccccc1 1P002AZ4 [1,1,0,0,0,0|1,0,1]=4 2333 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [1,1,0,0,0,0|1,0,0]=3 2334 B10R1.15 NNC(c1ccncc1)C 1P01C4JV [1,1,0,0,0,0|2,0,0]=4 2335 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [1,1,0,0,0,0|1,0,0]=3 2336 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [1,1,0,0,0,0|1,0,0]=3 2337 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [1,1,0,0,0,0|1,0,0]=3 2338 B10R1.15 NO[C@@H](c1ccccn1)C 1P01FJMV [1,1,0,0,0,0|2,0,0]=4 2339 B10R1.15 NO[C@@H](c1ccncc1)C 1P028PT8 [1,1,0,0,0,0|2,0,0]=4 2340 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [1,1,0,0,0,0|1,0,0]=3 2341 B10R1.15 NO[C@H](c1ccccn1)C 1P028T37 [1,1,0,0,0,0|2,0,0]=4 2342 B10R1.15 NO[C@H](c1ccncc1)C 1P028JYV [1,1,0,0,0,0|2,0,0]=4 2343 B10R1.15 N[C@@H](c1ccccc1)C#C 1P028XYR [1,1,0,0,0,0|0,0,2]=4 2344 B10R1.15 N[C@@H](c1ccccc1)C#N 1P003IC6 [1,1,0,0,0,0|0,0,2]=4 2345 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [1,1,0,0,0,0|1,0,1]=4 2346 B10R1.15 OC(c1ccccc1)C#C 1P003F2P [1,1,0,0,0,0|0,0,2]=4 2347 B10R1.15 OC(c1ccccc1)C#N 1P0035L5 [1,1,0,0,0,0|0,0,2]=4 2348 B10R1.15 OCC(=C)c1ccccc1 1P0036LP [1,1,0,0,0,0|1,0,1]=4 2349 B10R1.15 OCC(=O)c1ccccc1 1P003HVU [1,1,0,0,0,0|1,0,1]=4 2350 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [1,1,0,0,0,0|1,0,0]=3 2351 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [1,1,0,0,0,0|1,0,0]=3 2352 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [1,1,0,0,0,0|1,0,0]=3 2353 B10R1.15 OCC(c1ccccn1)C 1P01C4B7 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.15 OCC(c1ccccn1)N 1P003GT3 [1,1,0,0,0,0|2,0,0]=4 2355 B10R1.15 OCC(c1ccccn1)O 1P0285SM [1,1,0,0,0,0|2,0,0]=4 2356 B10R1.15 OCC(c1cccnc1)N 1P0092VK [1,1,0,0,0,0|2,0,0]=4 2357 B10R1.15 OCC(c1ccncc1)N 1P00171M [1,1,0,0,0,0|2,0,0]=4 2358 B10R1.15 OCC(c1ccncc1)O 1P01C10Y [1,1,0,0,0,0|2,0,0]=4 2359 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [1,1,0,0,0,0|1,0,0]=3 2360 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [1,1,0,0,0,0|1,0,0]=3 2361 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [1,1,0,0,0,0|1,0,0]=3 2362 B10R1.15 OC[C@@H](c1ccccn1)N 1P01EMUX [1,1,0,0,0,0|2,0,0]=4 2363 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [1,1,0,0,0,0|1,0,0]=3 2364 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [1,1,0,0,0,0|1,0,0]=3 2365 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [1,1,0,0,0,0|1,0,0]=3 2366 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [1,1,0,0,0,0|1,0,0]=3 2367 B10R1.15 OC[C@H](c1ccccn1)N 1P01DWC6 [1,1,0,0,0,0|2,0,0]=4 2368 B10R1.15 OC[C@H](c1cccnc1)N 1P01X9M9 [1,1,0,0,0,0|2,0,0]=4 2369 B10R1.15 OC[C@H](c1ccncc1)N 1P01KKX4 [1,1,0,0,0,0|2,0,0]=4 2370 B10R1.15 ONC(=O)c1ccccc1 1P003OIX [1,1,0,0,0,0|1,0,1]=4 2371 B10R1.15 ONC(c1ccccc1)C 1P002XUP [1,1,0,0,0,0|1,0,0]=3 2372 B10R1.15 O[C@@H](c1ccccc1)C#C 1P003COU [1,1,0,0,0,0|0,0,2]=4 2373 B10R1.15 O[C@H](c1ccccc1)C#C 1P003D0N [1,1,0,0,0,0|0,0,2]=4 2374 B10R1.15 O[C@H](c1ccccc1)C#N 1P0001PU [1,1,0,0,0,0|0,0,2]=4 2375 B10R1.15 SCC(=O)c1ccccc1 1P00BIBD [1,1,0,0,0,0|1,0,1]=4 2376 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [1,1,0,0,0,0|1,0,0]=3 2377 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [1,1,0,0,0,0|0,0,1]=3 2378 B10R1.15 [O-]NC(=O)c1ccccc1 1P003OIY [1,1,0,0,0,0|1,0,1]=4 2379 B10R1.15 [O-]NC(=O)c1ccccc1 1P00C19F [1,1,0,0,0,0|1,0,1]=4 2380 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [1,1,0,0,0,0|0,0,2]=4 2381 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [1,1,0,0,0,0|0,0,1]=3 2382 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [1,1,0,0,0,0|0,0,2]=4 2383 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [1,1,0,0,0,0|1,0,1]=4 2384 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [1,1,0,0,0,0|1,0,1]=4 2385 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [1,1,0,0,0,0|1,0,1]=4 2386 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [1,1,0,0,0,0|1,0,1]=4 2387 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [1,1,0,0,0,0|1,0,1]=4 2388 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [1,1,0,0,0,0|1,0,1]=4 2389 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [1,1,0,0,0,0|1,0,1]=4 2390 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [1,1,0,0,0,0|1,0,1]=4 2391 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [1,1,0,0,0,0|1,0,1]=4 2392 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [1,1,0,0,0,0|1,0,1]=4 2393 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [1,1,0,0,0,0|0,0,0]=2 2394 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [1,1,0,0,0,0|0,0,0]=2 2395 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [1,1,0,0,0,0|0,0,0]=2 2396 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [1,1,0,0,0,0|1,0,0]=3 2397 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [1,1,0,0,0,0|1,0,0]=3 2398 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [1,1,0,0,0,0|1,0,0]=3 2399 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [1,1,0,0,0,0|1,0,0]=3 2400 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [1,1,0,0,0,0|1,0,0]=3 2401 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [1,1,0,0,0,0|1,0,0]=3 2402 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [1,1,0,0,0,0|1,0,0]=3 2403 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [1,1,0,0,0,0|1,0,0]=3 2404 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [1,1,0,0,0,0|1,0,0]=3 2405 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [1,1,0,0,0,0|2,0,0]=4 2406 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [1,1,0,0,0,0|2,0,0]=4 2407 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [1,1,0,0,0,0|1,0,0]=3 2408 B10R1.18 CC(Nc1ccccn1)C 1P001O3W [1,1,0,0,0,0|2,0,0]=4 2409 B10R1.18 CC(Nc1cccnc1)C 1P00CMF9 [1,1,0,0,0,0|2,0,0]=4 2410 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [1,1,0,0,0,0|1,0,0]=3 2411 B10R1.18 CC(Oc1ccccn1)C 1P001W03 [1,1,0,0,0,0|2,0,0]=4 2412 B10R1.18 CC(Oc1cccnc1)C 1P004EQ5 [1,1,0,0,0,0|2,0,0]=4 2413 B10R1.18 CC(Oc1ccncc1)C 1P00DC8D [1,1,0,0,0,0|2,0,0]=4 2414 B10R1.18 CN(Cc1[c-]cccc1)C 1P003Q4B [1,1,0,0,0,0|0,0,1]=3 2415 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [1,1,0,0,0,0|0,0,0]=2 2416 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [1,1,0,0,0,0|0,0,0]=2 2417 B10R1.18 CN(Cc1ccccn1)C 1P01DWWA [1,1,0,0,0,0|1,0,0]=3 2418 B10R1.18 CN(Cc1ccccn1)C 1P028WOR [1,1,0,0,0,0|1,0,0]=3 2419 B10R1.18 CN(Cc1cccnc1)C 1P002ALG [1,1,0,0,0,0|1,0,0]=3 2420 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [1,1,0,0,0,0|0,1,0]=3 2421 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [1,1,0,0,0,0|0,0,0]=2 2422 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [1,1,0,0,0,0|0,0,0]=2 2423 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [1,1,0,0,0,0|0,1,0]=3 2424 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [1,1,0,0,0,0|1,0,1]=4 2425 B10R1.18 ClC([SiH2]c1ccccc1)Cl 1P001LSR [1,1,0,0,0,0|1,1,0]=4 2426 B10R1.18 FC(Oc1ccccc1)F 1P0032NU [1,1,0,0,0,0|2,0,0]=4 2427 B10R1.18 FC(Sc1ccccc1)F 1P00B00G [1,1,0,0,0,0|2,0,0]=4 2428 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [1,1,0,0,0,0|0,0,1]=3 2429 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [1,1,0,0,0,0|1,0,1]=4 2430 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [1,1,0,0,0,0|1,0,1]=4 2431 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [1,1,0,0,0,0|1,0,1]=4 2432 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [1,1,0,0,0,0|1,0,1]=4 2433 B10R1.18 NC(=N)Nc1ccccc1 1P002D2V [1,1,0,0,0,0|1,0,1]=4 2434 B10R1.18 NC(=N)Nc1ccccc1 1P003U6D [1,1,0,0,0,0|1,0,1]=4 2435 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [1,1,0,0,0,0|1,0,1]=4 2436 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [1,1,0,0,0,0|0,0,1]=3 2437 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [1,1,0,0,0,0|1,0,1]=4 2438 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [1,1,0,0,0,0|1,0,1]=4 2439 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [1,1,0,0,0,0|1,0,1]=4 2440 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [1,1,0,0,0,0|1,0,1]=4 2441 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [1,1,0,0,0,0|1,0,1]=4 2442 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [1,1,0,0,0,0|0,0,1]=3 2443 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [1,1,0,0,0,0|1,0,1]=4 2444 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [1,1,0,0,0,0|1,0,1]=4 2445 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [1,1,0,0,0,0|1,0,0]=3 2446 B10R1.18 OB(Cc1ccccc1)O 1P0037O9 [1,1,0,0,0,0|2,0,0]=4 2447 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [1,1,0,0,0,0|1,0,1]=4 2448 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [1,1,0,0,0,0|2,0,0]=4 2449 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [1,1,0,0,0,0|2,0,0]=4 2450 B10R1.18 [O-][N+](=Cc1ccccc1)C 1P007JA1 [1,1,0,0,0,0|0,0,2]=4 2451 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [1,1,0,0,0,0|1,0,1]=4 2452 B10R1.11 CCCC(c1ccco1)N 1P01ATAY [0,1,0,0,1,0|2,0,0]=4 2453 B10R1.11 CCCC(c1cccs1)N 1P00DD2X [0,1,0,0,1,0|2,0,0]=4 2454 B10R1.11 CCCC(c1cccs1)N 1P00J2EV [0,1,0,0,1,0|2,0,0]=4 2455 B10R1.11 CCCC(c1cccs1)O 1P01EUTS [0,1,0,0,1,0|2,0,0]=4 2456 B10R1.11 CNCC(c1cccs1)O 1P00PKD6 [0,1,0,0,1,0|1,0,0]=3 2457 B10R1.11 CNCC(c1cscc1)O 1P024MCV [0,1,0,0,1,0|1,0,0]=3 2458 B10R1.11 CNCC(c1nccs1)C 1P01A76F [0,1,0,0,1,0|2,0,0]=4 2459 B10R1.11 COCC(c1ccco1)N 1P019TYB [0,1,0,0,1,0|2,0,0]=4 2460 B10R1.16 CNCCc1cnn(c1)C 1P008VR0 [0,1,0,0,1,0|2,0,0]=4 2461 B10R1.16 CNCCc1cnn(c1)C 1P0287CF [0,1,0,0,1,0|2,0,0]=4 2462 B10R1.16 CNCCc1ncc(s1)C 1P028XVQ [0,1,0,0,1,0|2,0,0]=4 2463 B10R1.16 CNCCc1scc(n1)C 1P02917Q [0,1,0,0,1,0|2,0,0]=4 2464 B10R1.16 CNCCn1cc(cn1)Br 1P01C2KV [0,1,0,0,1,0|2,0,0]=4 2465 B10R1.16 CNCCn1ncc(c1)Br 1P028FJG [0,1,0,0,1,0|2,0,0]=4 2466 B10R1.16 CNCCn1ncc(c1)C 1P027Z4I [0,1,0,0,1,0|2,0,0]=4 2467 B10R1.16 COCCc1ccc(s1)Br 1P028LX1 [0,1,0,0,1,0|2,0,0]=4 2468 B10R1.16 NNCCc1csc(c1)Cl 1P02848F [0,1,0,0,1,0|2,0,0]=4 2469 B10R1.16 NNCCc1csc(c1)Cl 1P0284UW [0,1,0,0,1,0|2,0,0]=4 2470 B10R1.21 CCCCCc1ccco1 1P003IAW [0,1,0,0,1,0|2,0,0]=4 2471 B10R1.21 CCCCCc1cccs1 1P003BQ3 [0,1,0,0,1,0|2,0,0]=4 2472 B10R1.21 CCCNCc1ccco1 1P00C926 [0,1,0,0,1,0|2,0,0]=4 2473 B10R1.21 CCCNCc1cscc1 1P00J4JU [0,1,0,0,1,0|2,0,0]=4 2474 B10R1.21 CCNCCc1cccs1 1P019MCF [0,1,0,0,1,0|1,0,0]=3 2475 B10R1.21 CCNCCc1nccs1 1P01A2XJ [0,1,0,0,1,0|2,0,0]=4 2476 B10R1.21 CCNCCn1cccn1 1P003TG6 [0,1,0,0,1,0|2,0,0]=4 2477 B10R1.21 CCNCCn1cncc1 1P003TG3 [0,1,0,0,1,0|2,0,0]=4 2478 B10R1.21 CNCCCc1ccco1 1P001ZKU [0,1,0,0,1,0|1,0,0]=3 2479 B10R1.21 CNCCCn1cccn1 1P00037Z [0,1,0,0,1,0|2,0,0]=4 2480 B10R1.21 CNCCCn1cncc1 1P01A1KJ [0,1,0,0,1,0|2,0,0]=4 2481 B10R1.21 NCCCCc1cccs1 1P028R9O [0,1,0,0,1,0|2,0,0]=4 2482 B10R1.27 CC(NC)Cc1cncs1 1P028BD4 [0,1,0,0,1,0|2,0,0]=4 2483 B10R1.27 CCC(Cc1c[nH]cc1)N 1P027Z2R [0,1,0,0,1,0|2,0,0]=4 2484 B10R1.27 CCC(Cc1cccs1)Cl 1P01BYDP [0,1,0,0,1,0|2,0,0]=4 2485 B10R1.27 CNC(Cc1c[nH]nc1)C 1P0281AS [0,1,0,0,1,0|2,0,0]=4 2486 B10R1.27 CNC(Cc1cscc1)C 1P019U95 [0,1,0,0,1,0|1,0,0]=3 2487 B10R1.29 CCCCc1ccsc1Br 1P001DN5 [0,1,0,0,1,0|2,0,0]=4 2488 B10R1.29 CCCCc1ccsc1I 1P028L1P [0,1,0,0,1,0|2,0,0]=4 2489 B10R1.29 CNCCc1ccnn1C 1P027YY8 [0,1,0,0,1,0|2,0,0]=4 2490 B10R1.29 CNCCn1ccnc1C 1P00J1PF [0,1,0,0,1,0|2,0,0]=4 2491 B10R1.29 CNCCn1ccnc1C 1P0281ZE [0,1,0,0,1,0|2,0,0]=4 2492 B10R1.66 CC(=O)CCc1ccco1 1P00667T [0,1,0,0,1,0|2,0,0]=4 2493 B10R1.66 CC(=O)CCc1cscc1 1P01ACGI [0,1,0,0,1,0|2,0,0]=4 2494 B10R1.66 CC(CCc1ccco1)N 1P005SKI [0,1,0,0,1,0|2,0,0]=4 2495 B10R1.66 CN(CCc1c[nH]cc1)C 1P028ANN [0,1,0,0,1,0|1,0,0]=3 2496 B12R1.1 BrCCCCc1ccc(cc1)Br 1P0046QW [0,2,0,0,0,0|1,0,0]=3 2497 B12R1.1 BrCCCCc1ccc(cc1)C 1P01JMNG [0,2,0,0,0,0|1,0,0]=3 2498 B12R1.1 BrCCCCc1ccc(cc1)Cl 1P01DW6J [0,2,0,0,0,0|1,0,0]=3 2499 B12R1.1 BrCCCCc1ccc(cc1)F 1P0040AL [0,2,0,0,0,0|1,0,0]=3 2500 B12R1.1 BrCCCOc1ccc(cc1)Br 1P0057YZ [0,2,0,0,0,0|2,0,0]=4 2501 B12R1.1 BrCCCOc1ccc(cc1)Cl 1P00BJF3 [0,2,0,0,0,0|2,0,0]=4 2502 B12R1.1 BrCCCOc1ccc(cc1)F 1P008S2R [0,2,0,0,0,0|2,0,0]=4 2503 B12R1.1 BrCCOCc1ccc(cc1)Br 1P0095ZM [0,2,0,0,0,0|2,0,0]=4 2504 B12R1.1 C#CCNCc1ccc(cc1)C 1P00J4GA [0,2,0,0,0,0|1,0,1]=4 2505 B12R1.1 C#CCNCc1ccc(cc1)F 1P00J4JP [0,2,0,0,0,0|1,0,1]=4 2506 B12R1.1 C=CCCCc1ccc(cc1)Br 1P01EMLH [0,2,0,0,0,0|1,0,1]=4 2507 B12R1.1 C=CCCOc1ccc(cc1)Br 1P01A6FI [0,2,0,0,0,0|1,0,1]=4 2508 B12R1.1 C=CCCOc1ccc(cc1)Cl 1P01C5C5 [0,2,0,0,0,0|1,0,1]=4 2509 B12R1.1 C=CCCOc1ccc(cc1)I 1P0251IW [0,2,0,0,0,0|1,0,1]=4 2510 B12R1.1 C=CCNCc1ccc(cc1)Br 1P006OPM [0,2,0,0,0,0|1,0,1]=4 2511 B12R1.1 C=CCNCc1ccc(cc1)Br 1P00J4HY [0,2,0,0,0,0|1,0,1]=4 2512 B12R1.1 C=CCNCc1ccc(cc1)C 1P008EYC [0,2,0,0,0,0|1,0,1]=4 2513 B12R1.1 C=CCNCc1ccc(cc1)C 1P00J4FF [0,2,0,0,0,0|1,0,1]=4 2514 B12R1.1 C=CCNCc1ccc(cc1)Cl 1P00FC9A [0,2,0,0,0,0|1,0,1]=4 2515 B12R1.1 C=CCNCc1ccc(cc1)Cl 1P00J4H4 [0,2,0,0,0,0|1,0,1]=4 2516 B12R1.1 C=CCNCc1ccc(cc1)F 1P0045MS [0,2,0,0,0,0|1,0,1]=4 2517 B12R1.1 CC=CCOc1ccc(cc1)Br 1P01A6HI [0,2,0,0,0,0|1,0,1]=4 2518 B12R1.1 CCCCCc1ccc(cc1)Br 1P003MF5 [0,2,0,0,0,0|1,0,0]=3 2519 B12R1.1 CCCCCc1ccc(cc1)F 1P002W82 [0,2,0,0,0,0|1,0,0]=3 2520 B12R1.1 CCCCCc1ccc(cc1)N 1P003MF2 [0,2,0,0,0,0|1,0,0]=3 2521 B12R1.1 CCCCCc1ccc(cc1)O 1P001M3J [0,2,0,0,0,0|1,0,0]=3 2522 B12R1.1 CCCCCc1ccc(nc1)C 1P01EW8X [0,2,0,0,0,0|2,0,0]=4 2523 B12R1.1 CCCCOc1ccc(cc1)Br 1P00BZGP [0,2,0,0,0,0|1,0,0]=3 2524 B12R1.1 CCCCOc1ccc(cc1)C 1P008V5I [0,2,0,0,0,0|1,0,0]=3 2525 B12R1.1 CCCCOc1ccc(cc1)I 1P0066UW [0,2,0,0,0,0|1,0,0]=3 2526 B12R1.1 CCCCOc1ccc(cc1)N 1P0034FJ [0,2,0,0,0,0|1,0,0]=3 2527 B12R1.1 CCCCOc1ccc(cc1)O 1P00170E [0,2,0,0,0,0|1,0,0]=3 2528 B12R1.1 CCCCOc1ccc(cn1)N 1P00DL4N [0,2,0,0,0,0|2,0,0]=4 2529 B12R1.1 CCCCSc1ccc(nc1)N 1P027VOA [0,2,0,0,0,0|2,0,0]=4 2530 B12R1.1 CCCNCc1ccc(cc1)C 1P00D4HD [0,2,0,0,0,0|1,0,0]=3 2531 B12R1.1 CCCNCc1ccc(cc1)Cl 1P00DD65 [0,2,0,0,0,0|1,0,0]=3 2532 B12R1.1 CCCNCc1ccc(cc1)Cl 1P00J23E [0,2,0,0,0,0|1,0,0]=3 2533 B12R1.1 CCCNCc1ccc(cc1)F 1P003LWC [0,2,0,0,0,0|1,0,0]=3 2534 B12R1.1 CCCNCc1ccc(cc1)F 1P00J4EA [0,2,0,0,0,0|1,0,0]=3 2535 B12R1.1 CNCCCc1ccc(cc1)Br 1P01G05E [0,2,0,0,0,0|0,0,0]=2 2536 B12R1.1 CNCCOc1ccc(cc1)Br 1P0039N1 [0,2,0,0,0,0|0,0,0]=2 2537 B12R1.1 CNCCOc1ccc(cc1)C 1P00EE8T [0,2,0,0,0,0|0,0,0]=2 2538 B12R1.1 CNCCOc1ccc(cc1)C 1P00J1GG [0,2,0,0,0,0|0,0,0]=2 2539 B12R1.1 CNCCOc1ccc(cc1)Cl 1P00FHAW [0,2,0,0,0,0|0,0,0]=2 2540 B12R1.1 CNCCOc1ccc(cc1)F 1P00FBHK [0,2,0,0,0,0|0,0,0]=2 2541 B12R1.1 CNCCOc1ccc(cc1)O 1P01AJC3 [0,2,0,0,0,0|0,0,0]=2 2542 B12R1.1 CNCCSc1ccc(cc1)C 1P00J4KS [0,2,0,0,0,0|0,0,0]=2 2543 B12R1.1 CNC\C=C\c1ccc(cc1)Br 1P0287QK [0,2,0,0,0,0|0,0,1]=3 2544 B12R1.1 CNC\C=C\c1ccc(cc1)F 1P028I4J [0,2,0,0,0,0|0,0,1]=3 2545 B12R1.1 COCCNc1ccc(cc1)N 1P00FW7T [0,2,0,0,0,0|1,0,0]=3 2546 B12R1.1 COCCNc1ccc(cn1)F 1P01BY7V [0,2,0,0,0,0|2,0,0]=4 2547 B12R1.1 COCCOc1ccc(cc1)Br 1P003ALJ [0,2,0,0,0,0|1,0,0]=3 2548 B12R1.1 COCCOc1ccc(cc1)F 1P01A66G [0,2,0,0,0,0|1,0,0]=3 2549 B12R1.1 COCCOc1ccc(cc1)N 1P00BZOA [0,2,0,0,0,0|1,0,0]=3 2550 B12R1.1 COCCOc1ccc(cc1)O 1P00DG0H [0,2,0,0,0,0|1,0,0]=3 2551 B12R1.1 COCCOc1ccc(cc1)S 1P01AD2S [0,2,0,0,0,0|1,0,0]=3 2552 B12R1.1 COCCOc1ccc(cn1)Br 1P00BJB3 [0,2,0,0,0,0|2,0,0]=4 2553 B12R1.1 COCCOc1ccc(cn1)N 1P019MYV [0,2,0,0,0,0|2,0,0]=4 2554 B12R1.1 COCCSc1ccc(cc1)N 1P01AIEH [0,2,0,0,0,0|1,0,0]=3 2555 B12R1.1 COCOCc1ccc(cc1)N 1P01AN97 [0,2,0,0,0,0|1,0,0]=3 2556 B12R1.1 ClCCCCc1ccc(cc1)F 1P00DK3R [0,2,0,0,0,0|1,0,0]=3 2557 B12R1.1 ClCCCOc1ccc(cc1)F 1P003DDI [0,2,0,0,0,0|2,0,0]=4 2558 B12R1.1 FCCNCc1ccc(cc1)C 1P028VFG [0,2,0,0,0,0|2,0,0]=4 2559 B12R1.1 ICCCCc1ccc(cc1)Br 1P01JMLM [0,2,0,0,0,0|1,0,0]=3 2560 B12R1.1 ICCCCc1ccc(cc1)F 1P01JMMT [0,2,0,0,0,0|1,0,0]=3 2561 B12R1.1 N#CCCNc1ccc(cc1)C 1P0084RJ [0,2,0,0,0,0|2,0,0]=4 2562 B12R1.1 N#CCCNc1ccc(cc1)Cl 1P00CRR5 [0,2,0,0,0,0|2,0,0]=4 2563 B12R1.1 N#CCCNc1ccc(cc1)F 1P00CIOO [0,2,0,0,0,0|2,0,0]=4 2564 B12R1.1 N#CCCOc1ccc(cc1)Br 1P003IJR [0,2,0,0,0,0|2,0,0]=4 2565 B12R1.1 N#CCCOc1ccc(cc1)Cl 1P003IKM [0,2,0,0,0,0|2,0,0]=4 2566 B12R1.1 N#CCCOc1ccc(cc1)F 1P003IL1 [0,2,0,0,0,0|2,0,0]=4 2567 B12R1.1 N#CCCSc1ccc(cc1)C 1P01AQMW [0,2,0,0,0,0|2,0,0]=4 2568 B12R1.1 N#CCCSc1ccc(cc1)F 1P019PF7 [0,2,0,0,0,0|2,0,0]=4 2569 B12R1.1 N#CCSCc1ccc(cc1)Cl 1P01AUWN [0,2,0,0,0,0|2,0,0]=4 2570 B12R1.1 N#CNCCc1ccc(cc1)Cl 1P01EK7R [0,2,0,0,0,0|0,0,1]=3 2571 B12R1.1 NCCCCc1ccc(cc1)Br 1P01JMFR [0,2,0,0,0,0|1,0,0]=3 2572 B12R1.1 NCCCCc1ccc(cc1)Br 1P027XS3 [0,2,0,0,0,0|1,0,0]=3 2573 B12R1.1 NCCCCc1ccc(cc1)Cl 1P00ER2D [0,2,0,0,0,0|1,0,0]=3 2574 B12R1.1 NCCCCc1ccc(cc1)Cl 1P0289K9 [0,2,0,0,0,0|1,0,0]=3 2575 B12R1.1 NCCCCc1ccc(cc1)F 1P001LTZ [0,2,0,0,0,0|1,0,0]=3 2576 B12R1.1 NCCCCc1ccc(cc1)O 1P006ZWJ [0,2,0,0,0,0|1,0,0]=3 2577 B12R1.1 NCCCCc1ccc(cc1)O 1P02010K [0,2,0,0,0,0|1,0,0]=3 2578 B12R1.1 NCCCNc1ccc(cc1)F 1P01A77X [0,2,0,0,0,0|2,0,0]=4 2579 B12R1.1 NCCCOc1ccc(cc1)C 1P00DCAU [0,2,0,0,0,0|2,0,0]=4 2580 B12R1.1 NCCCOc1ccc(cc1)F 1P000DNH [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.1 NCCCSc1ccc(cc1)Cl 1P007GR0 [0,2,0,0,0,0|2,0,0]=4 2582 B12R1.1 NCCCSc1ccc(cc1)F 1P00HDIZ [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.1 NCCCSc1ccc(cc1)F 1P019MIY [0,2,0,0,0,0|2,0,0]=4 2584 B12R1.1 NCCOCc1ccc(cc1)Cl 1P002WP0 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.1 NCCOCc1ccc(cc1)Cl 1P00J4GN [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.1 NCCSCc1ccc(cc1)C 1P0083WS [0,2,0,0,0,0|2,0,0]=4 2587 B12R1.1 NCCSCc1ccc(cc1)Cl 1P00F4LM [0,2,0,0,0,0|2,0,0]=4 2588 B12R1.1 NCCSCc1ccc(cc1)Cl 1P019NRM [0,2,0,0,0,0|2,0,0]=4 2589 B12R1.1 NCCSCc1ccc(cc1)F 1P0091EU [0,2,0,0,0,0|2,0,0]=4 2590 B12R1.1 NNCCOc1ccc(cc1)Cl 1P005UHF [0,2,0,0,0,0|1,0,0]=3 2591 B12R1.1 O=C=NCCc1ccc(cc1)Br 1P01FM74 [0,2,0,0,0,0|0,0,2]=4 2592 B12R1.1 O=C=NCCc1ccc(cc1)C 1P01B34Y [0,2,0,0,0,0|0,0,2]=4 2593 B12R1.1 O=C=NCCc1ccc(cc1)Cl 1P003LOD [0,2,0,0,0,0|0,0,2]=4 2594 B12R1.1 OCCCCc1ccc(cc1)Br 1P005HTC [0,2,0,0,0,0|1,0,0]=3 2595 B12R1.1 OCCCCc1ccc(cc1)F 1P00JSHV [0,2,0,0,0,0|1,0,0]=3 2596 B12R1.1 OCCCCc1ccc(cc1)N 1P006DSA [0,2,0,0,0,0|1,0,0]=3 2597 B12R1.1 OCCCCc1ccc(cc1)O 1P00GRT6 [0,2,0,0,0,0|1,0,0]=3 2598 B12R1.1 OCCCNc1ccc(cc1)Cl 1P01C2XK [0,2,0,0,0,0|2,0,0]=4 2599 B12R1.1 OCCCOc1ccc(cc1)Br 1P006302 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.1 OCCCOc1ccc(cc1)F 1P00HAT2 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.1 OCCCOc1ccc(cc1)N 1P01BAZZ [0,2,0,0,0,0|2,0,0]=4 2602 B12R1.1 OCCCSc1ccc(cc1)N 1P01ABM7 [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.1 OCCNCc1ccc(cc1)Br 1P008NF2 [0,2,0,0,0,0|2,0,0]=4 2604 B12R1.1 OCCNCc1ccc(cc1)C 1P0075HK [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.1 OCCNCc1ccc(cc1)Cl 1P00C9FX [0,2,0,0,0,0|2,0,0]=4 2606 B12R1.1 OCCNCc1ccc(cc1)Cl 1P01BDQU [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.1 OCCNCc1ccc(cc1)F 1P0091ET [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.1 OCCNCc1ccc(cc1)F 1P00BCRT [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.1 OCCNCc1ccc(cc1)N 1P0024ZK [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.1 OCCOCc1ccc(cc1)N 1P01C4AT [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.1 OCCSCc1ccc(cc1)C 1P0043SC [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.1 O\C=N\CCc1ccc(cc1)F 1P003LWG [0,2,0,0,0,0|0,0,2]=4 2613 B12R1.1 Oc1ccc(cc1)CCN=[N+]=[N-] 1P01XIDN [0,2,0,0,0,0|1,0,1]=4 2614 B12R1.1 S=C=NCCc1ccc(cc1)F 1P01BA3W [0,2,0,0,0,0|0,0,2]=4 2615 B12R1.16 C=CCC(c1ccc(cc1)Br)O 1P01BUXR [0,2,0,0,0,0|1,0,1]=4 2616 B12R1.16 C=CCC(c1ccc(cc1)Cl)O 1P001KZS [0,2,0,0,0,0|1,0,1]=4 2617 B12R1.16 C=CCC(c1ccc(cc1)F)N 1P000HUF [0,2,0,0,0,0|1,0,1]=4 2618 B12R1.16 C=CCC(c1ccc(cc1)F)N 1P0096TF [0,2,0,0,0,0|1,0,1]=4 2619 B12R1.16 C=CC[C@H](c1ccc(cc1)F)N 1P001ATK [0,2,0,0,0,0|1,0,1]=4 2620 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1P003LGH [0,2,0,0,0,0|1,0,1]=4 2621 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1P003LNS [0,2,0,0,0,0|1,0,1]=4 2622 B12R1.16 CCCC(=O)c1ccc(cc1)F 1P003DG9 [0,2,0,0,0,0|1,0,1]=4 2623 B12R1.16 CCCC(=O)c1ccc(cc1)O 1P0003LN [0,2,0,0,0,0|1,0,1]=4 2624 B12R1.16 CCCC(c1ccc(cc1)Br)O 1P00C2KD [0,2,0,0,0,0|1,0,0]=3 2625 B12R1.16 CCCC(c1ccc(cc1)Cl)N 1P01A0F3 [0,2,0,0,0,0|1,0,0]=3 2626 B12R1.16 CCCC(c1ccc(cc1)F)N 1P00AST0 [0,2,0,0,0,0|1,0,0]=3 2627 B12R1.16 CCCC(c1ccc(cc1)O)N 1P023J1G [0,2,0,0,0,0|1,0,0]=3 2628 B12R1.16 CCCC(c1ccc(cc1)O)N 1P028OOT [0,2,0,0,0,0|1,0,0]=3 2629 B12R1.16 CCC[C@@H](c1ccc(cc1)C)N 1P00A08O [0,2,0,0,0,0|1,0,0]=3 2630 B12R1.16 CCC[C@@H](c1ccc(cc1)C)N 1P00I79Y [0,2,0,0,0,0|1,0,0]=3 2631 B12R1.16 CCC[C@@H](c1ccc(cc1)F)N 1P000WWN [0,2,0,0,0,0|1,0,0]=3 2632 B12R1.16 CCC[C@H](c1ccc(cc1)C)N 1P00GAQD [0,2,0,0,0,0|1,0,0]=3 2633 B12R1.16 CCC[C@H](c1ccc(cc1)F)N 1P00A064 [0,2,0,0,0,0|1,0,0]=3 2634 B12R1.16 CCNC(c1ccc(cc1)F)C 1P019VOC [0,2,0,0,0,0|2,0,0]=4 2635 B12R1.16 CCNC(c1ccc(cc1)F)C 1P01A7SG [0,2,0,0,0,0|2,0,0]=4 2636 B12R1.16 CCN[C@@H](c1ccc(cc1)Br)C 1P0282NA [0,2,0,0,0,0|2,0,0]=4 2637 B12R1.16 CCN[C@H](c1ccc(cc1)Br)C 1P0282TW [0,2,0,0,0,0|2,0,0]=4 2638 B12R1.16 CNCC(=O)c1ccc(cc1)O 1P00BFSJ [0,2,0,0,0,0|0,0,1]=3 2639 B12R1.16 CNCC(c1ccc(cc1)Br)O 1P01C2YN [0,2,0,0,0,0|0,0,0]=2 2640 B12R1.16 CNCC(c1ccc(cc1)Cl)O 1P00VT0L [0,2,0,0,0,0|0,0,0]=2 2641 B12R1.16 CNCC(c1ccc(cc1)F)O 1P00DJHD [0,2,0,0,0,0|0,0,0]=2 2642 B12R1.16 CNCC(c1ccc(cc1)F)O 1P01ABEV [0,2,0,0,0,0|0,0,0]=2 2643 B12R1.16 CNCC(c1ccc(cc1)O)O 1P001WVF [0,2,0,0,0,0|0,0,0]=2 2644 B12R1.16 CNCC(c1ccc(cc1)O)O 1P00IB2Z [0,2,0,0,0,0|0,0,0]=2 2645 B12R1.16 CNCC(c1ccc(cc1)O)O 1P00IN24 [0,2,0,0,0,0|0,0,0]=2 2646 B12R1.16 COCC(=O)c1ccc(cc1)Cl 1P01BFWJ [0,2,0,0,0,0|1,0,1]=4 2647 B12R1.16 COCC(=O)c1ccc(cc1)F 1P00BJ3C [0,2,0,0,0,0|1,0,1]=4 2648 B12R1.16 COCC(=O)c1ccc(cc1)O 1P00CAC6 [0,2,0,0,0,0|1,0,1]=4 2649 B12R1.16 COCC(c1ccc(cc1)Cl)N 1P01BFX0 [0,2,0,0,0,0|1,0,0]=3 2650 B12R1.16 COCC(c1ccc(cc1)Cl)N 1P01KLI6 [0,2,0,0,0,0|1,0,0]=3 2651 B12R1.16 COCC(c1ccc(cc1)F)N 1P019TJL [0,2,0,0,0,0|1,0,0]=3 2652 B12R1.16 COCC(c1ccc(cc1)F)N 1P01AEWK [0,2,0,0,0,0|1,0,0]=3 2653 B12R1.16 COC[C@H](c1ccc(cc1)Br)N 1P024S9F [0,2,0,0,0,0|1,0,0]=3 2654 B12R1.16 COC[C@H](c1ccc(cc1)F)N 1P01KKLH [0,2,0,0,0,0|1,0,0]=3 2655 B12R1.16 OC(c1ccc(cc1)Br)CC#N 1P0288YK [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.16 OC(c1ccc(cc1)F)CC#N 1P024VNV [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.16 OCCC(c1ccc(cc1)Br)N 1P00G3DW [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.16 OCCC(c1ccc(cc1)Br)O 1P01JMSI [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.16 OCCC(c1ccc(cc1)C)N 1P005MC3 [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.16 OCCC(c1ccc(cc1)Cl)N 1P006DN0 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.16 OCCC(c1ccc(cc1)F)N 1P00EB6W [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.16 OCCC(c1ccc(cc1)N)N 1P00HDMM [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.16 OCC[C@@H](c1ccc(cc1)Br)N 1P000BLA [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.16 OCC[C@@H](c1ccc(cc1)Br)N 1P01DMCI [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.16 OCC[C@@H](c1ccc(cc1)Cl)N 1P003D2G [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.16 OCC[C@@H](c1ccc(cc1)F)N 1P007PVP [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.16 OCC[C@@H](c1ccc(cc1)F)N 1P01ERGW [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.16 OCC[C@@H](c1ccc(cc1)N)N 1P0013RY [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.16 OCC[C@H](c1ccc(cc1)Br)N 1P009BQE [0,2,0,0,0,0|2,0,0]=4 2670 B12R1.16 OCC[C@H](c1ccc(cc1)C)N 1P008SOF [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.16 OCC[C@H](c1ccc(cc1)Cl)N 1P009BPE [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.21 CC(=C)CNc1ccc(cc1)Cl 1P01A46F [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.21 CC(=C)COc1ccc(cc1)Br 1P01B1YY [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.21 CC(=C)COc1ccc(cc1)N 1P00GU9R [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.21 CC(=O)CCc1ccc(cc1)C 1P003KL3 [0,2,0,0,0,0|1,0,0]=3 2676 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1P00C99Q [0,2,0,0,0,0|1,0,0]=3 2677 B12R1.21 CC(=O)CCc1ccc(cc1)F 1P00VSVS [0,2,0,0,0,0|1,0,0]=3 2678 B12R1.21 CC(=O)CCc1ccc(cc1)I 1P01BGX7 [0,2,0,0,0,0|1,0,0]=3 2679 B12R1.21 CC(=O)CCc1ccc(cc1)O 1P003KKN [0,2,0,0,0,0|1,0,0]=3 2680 B12R1.21 CC(=O)COc1ccc(cc1)Br 1P007SWC [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.21 CC(=O)CSc1ccc(cc1)C 1P000QJ1 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1P003CC2 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.21 CC(=O)CSc1ccc(cc1)F 1P002ZJR [0,2,0,0,0,0|2,0,0]=4 2684 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1P00H519 [0,2,0,0,0,0|2,0,0]=4 2685 B12R1.21 CC(=O)NCc1ccc(cc1)F 1P004QJ2 [0,2,0,0,0,0|2,0,0]=4 2686 B12R1.21 CC(=O)NCc1ccc(cc1)N 1P01AIH0 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.21 CC(=O)OCc1ccc(cc1)C 1P003M83 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.21 CC(=O)OCc1ccc(cc1)Cl 1P003LNI [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.21 CC(CCc1ccc(cc1)Br)N 1P00HA0R [0,2,0,0,0,0|1,0,0]=3 2690 B12R1.21 CC(CCc1ccc(cc1)C)N 1P019RJH [0,2,0,0,0,0|1,0,0]=3 2691 B12R1.21 CC(CCc1ccc(cc1)I)N 1P01BHI1 [0,2,0,0,0,0|1,0,0]=3 2692 B12R1.21 CC(CCc1ccc(cc1)N)C 1P01A84O [0,2,0,0,0,0|1,0,0]=3 2693 B12R1.21 CC(CCc1ccc(cc1)O)N 1P019KP1 [0,2,0,0,0,0|1,0,0]=3 2694 B12R1.21 CC(CCc1ccc(cc1)O)O 1P00FDS3 [0,2,0,0,0,0|1,0,0]=3 2695 B12R1.21 CC(CCc1ccc(nc1)N)C 1P01C23S [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.21 CC(CNc1ccc(cc1)Br)C 1P00ANYC [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.21 CC(CNc1ccc(cc1)C)C 1P01AYKZ [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.21 CC(CNc1ccc(cc1)C)C 1P01C40G [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.21 CC(CNc1ccc(cc1)Cl)C 1P01A0MJ [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.21 CC(CNc1ccc(cc1)F)C 1P00J61V [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.21 CC(COc1ccc(cc1)Br)C 1P0031MO [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.21 CC(COc1ccc(cc1)C)N 1P00EEKI [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.21 CC(COc1ccc(cc1)C)O 1P003DH6 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.21 CC(COc1ccc(cc1)Cl)N 1P00C4ZY [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.21 CC(COc1ccc(cc1)Cl)N 1P00CCM0 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.21 CC(COc1ccc(cc1)F)N 1P009A6F [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.21 CC(COc1ccc(cc1)F)N 1P019WZK [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.21 CC(COc1ccc(cc1)N)C 1P00DBCF [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.21 CC(COc1ccc(cc1)N)O 1P028H9H [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.21 CC(COc1ccc(cc1)O)C 1P00IAGW [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.21 CC(CSc1ccc(cc1)C)N 1P01ADAL [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.21 CC(NCc1ccc(cc1)Br)C 1P00ECIY [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.21 CC(NCc1ccc(cc1)C)C 1P005QRD [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.21 CC(NCc1ccc(cc1)Cl)C 1P00C9BN [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.21 CC(NCc1ccc(cc1)Cl)C 1P00J23B [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.21 CC(NCc1ccc(cc1)F)C 1P0013NS [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.21 CC(NCc1ccc(cc1)F)C 1P00J3Z2 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.21 CC(NCc1ccc(cc1)N)C 1P003TLB [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.21 CC(OCc1ccc(cc1)Br)C 1P0068SS [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.21 CC(OCc1ccc(cc1)N)C 1P019XSE [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.21 CC(SCc1ccc(cc1)Br)C 1P01AAMF [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.21 CN(CCc1ccc(cc1)Br)C 1P01C48K [0,2,0,0,0,0|0,0,0]=2 2723 B12R1.21 CN(CCc1ccc(cc1)N)C 1P0037IS [0,2,0,0,0,0|0,0,0]=2 2724 B12R1.21 CN(CCc1ccc(cc1)O)C 1P00DEP7 [0,2,0,0,0,0|0,0,0]=2 2725 B12R1.21 CN(CCc1ccc(cc1)O)C 1P00EBQI [0,2,0,0,0,0|0,0,0]=2 2726 B12R1.21 C[C@H](CCc1ccc(cc1)O)O 1P00DFZV [0,2,0,0,0,0|1,0,0]=3 2727 B12R1.21 ClC(=O)CCc1ccc(cc1)Cl 1P00DNXA [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.21 Fc1ccc(cc1)CCS(=O)[O-] 1P0292CY [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P004D2Q [0,2,0,0,0,0|2,0,0]=4 2730 B12R1.21 NC(=N)CCc1ccc(cc1)Cl 1P01EM24 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.21 NC(=O)CCc1ccc(cc1)Br 1P01EWZG [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.21 NC(=O)CCc1ccc(cc1)F 1P00BLKP [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.21 NC(=O)CCc1ccc(cc1)N 1P01AAT8 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.21 NC(=O)CCc1ccc(cc1)O 1P007NI0 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.21 OC(=O)CCc1ccc(cc1)Br 1P001V8C [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.21 OC(=O)CCc1ccc(cc1)C 1P001N4H [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.21 OC(=O)CCc1ccc(cc1)Cl 1P0039CX [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.21 OC(=O)CCc1ccc(cc1)F 1P0033X5 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.21 OC(=O)CCc1ccc(cc1)I 1P001V8D [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P007OWB [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P01XLU7 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.21 OC(=O)CCc1ccc(cc1)O 1P003IL8 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.21 OC(=O)CCc1ccc(cc1)S 1P003M2K [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.49 BrC(Cc1ccc(cc1)C)C#N 1P00ERAL [0,2,0,0,0,0|2,0,0]=4 2745 B12R1.49 C=CC(Cc1ccc(cc1)Cl)N 1P0280YA [0,2,0,0,0,0|1,0,1]=4 2746 B12R1.49 CC(Cc1ccc(cc1)Cl)C#N 1P023PAL [0,2,0,0,0,0|2,0,0]=4 2747 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1P00BJYB [0,2,0,0,0,0|1,0,1]=4 2748 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1P003DHA [0,2,0,0,0,0|1,0,1]=4 2749 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1P01B5H3 [0,2,0,0,0,0|1,0,1]=4 2750 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1P00KLWN [0,2,0,0,0,0|1,0,1]=4 2751 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1P00IHD6 [0,2,0,0,0,0|1,0,1]=4 2752 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1P028YMZ [0,2,0,0,0,0|1,0,1]=4 2753 B12R1.49 CCC(Cc1ccc(cc1)Br)N 1P01B75H [0,2,0,0,0,0|1,0,0]=3 2754 B12R1.49 CCC(Cc1ccc(cc1)C)N 1P00B8C1 [0,2,0,0,0,0|1,0,0]=3 2755 B12R1.49 CCC(Cc1ccc(cc1)C)O 1P019SLJ [0,2,0,0,0,0|1,0,0]=3 2756 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 1P00BESL [0,2,0,0,0,0|1,0,0]=3 2757 B12R1.49 CCC(Cc1ccc(cc1)F)N 1P00C4E1 [0,2,0,0,0,0|1,0,0]=3 2758 B12R1.49 CCC(Cc1ccc(cc1)O)N 1P01A7DK [0,2,0,0,0,0|1,0,0]=3 2759 B12R1.49 CCC(Oc1ccc(cc1)Br)C 1P019YC2 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00EEKR [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00J278 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.49 CCC(Oc1ccc(cc1)O)C 1P0068LX [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.49 CCN(Cc1ccc(cc1)N)C 1P019YRC [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.49 CNC(=N)Nc1ccc(cc1)F 1P01BDSH [0,2,0,0,0,0|1,0,1]=4 2765 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 1P005QNZ [0,2,0,0,0,0|0,0,1]=3 2766 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 1P00IB5K [0,2,0,0,0,0|0,0,1]=3 2767 B12R1.49 CNC(=O)Cc1ccc(cc1)N 1P00C996 [0,2,0,0,0,0|0,0,1]=3 2768 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1P002XUE [0,2,0,0,0,0|0,0,1]=3 2769 B12R1.49 CNC(=O)Nc1ccc(cc1)N 1P0083DE [0,2,0,0,0,0|1,0,1]=4 2770 B12R1.49 CNC(=S)Nc1ccc(cc1)Br 1P00EM4P [0,2,0,0,0,0|1,0,1]=4 2771 B12R1.49 CNC(Cc1ccc(cc1)F)C 1P01BFBZ [0,2,0,0,0,0|0,0,0]=2 2772 B12R1.49 CNC(Cc1ccc(cc1)O)C 1P01LJEU [0,2,0,0,0,0|0,0,0]=2 2773 B12R1.49 COC(=O)Cc1ccc(cc1)Br 1P0035O5 [0,2,0,0,0,0|1,0,1]=4 2774 B12R1.49 COC(=O)Cc1ccc(cc1)C 1P003SCO [0,2,0,0,0,0|1,0,1]=4 2775 B12R1.49 COC(=O)Cc1ccc(cc1)Cl 1P00I9UH [0,2,0,0,0,0|1,0,1]=4 2776 B12R1.49 COC(=O)Cc1ccc(cc1)F 1P00C7YP [0,2,0,0,0,0|1,0,1]=4 2777 B12R1.49 COC(=O)Cc1ccc(cc1)I 1P00EKZB [0,2,0,0,0,0|1,0,1]=4 2778 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00BZSM [0,2,0,0,0,0|1,0,1]=4 2779 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00G39W [0,2,0,0,0,0|1,0,1]=4 2780 B12R1.49 COC(=O)Cc1ccc(cc1)O 1P001HYQ [0,2,0,0,0,0|1,0,1]=4 2781 B12R1.49 NCC(Cc1ccc(cc1)Br)O 1P028620 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.49 NCC(Cc1ccc(cc1)C)N 1P01EKI5 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.49 NCC(Cc1ccc(cc1)C)O 1P027U4C [0,2,0,0,0,0|2,0,0]=4 2784 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P01BAQC [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P0290EV [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.49 NCC(Cc1ccc(cc1)F)O 1P01BIVQ [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.49 NNC(=O)Cc1ccc(cc1)Br 1P00EAQB [0,2,0,0,0,0|1,0,1]=4 2788 B12R1.49 NNC(=O)Cc1ccc(cc1)C 1P00EEHZ [0,2,0,0,0,0|1,0,1]=4 2789 B12R1.49 NNC(=O)Cc1ccc(cc1)Cl 1P00E9QF [0,2,0,0,0,0|1,0,1]=4 2790 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P00BYWL [0,2,0,0,0,0|1,0,1]=4 2791 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P01DJR3 [0,2,0,0,0,0|1,0,1]=4 2792 B12R1.49 NNC(=O)Cc1ccc(cc1)N 1P027MP7 [0,2,0,0,0,0|1,0,1]=4 2793 B12R1.49 NNC(=O)Cc1ccc(cc1)O 1P0028UY [0,2,0,0,0,0|1,0,1]=4 2794 B12R1.49 O=CC(Cc1ccc(cc1)C)Cl 1P01BY9A [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P00CNDM [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P01B1SU [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P00188V [0,2,0,0,0,0|2,0,0]=4 2798 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P003Q9R [0,2,0,0,0,0|2,0,0]=4 2799 B12R1.49 OCC(Cc1ccc(cc1)F)C 1P01ADFP [0,2,0,0,0,0|2,0,0]=4 2800 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01A498 [0,2,0,0,0,0|2,0,0]=4 2801 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01BDZN [0,2,0,0,0,0|2,0,0]=4 2802 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P00I37R [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P01BI09 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.49 OCC(Cc1ccc(cc1)N)F 1P028X6K [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.49 OCC(Cc1ccc(cc1)O)N 1P01B4HI [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.49 OC[C@@H](Cc1ccc(cc1)Cl)N 1P00BJSP [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P00CND0 [0,2,0,0,0,0|2,0,0]=4 2808 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P01DE71 [0,2,0,0,0,0|2,0,0]=4 2809 B12R1.49 OC[C@@H](Cc1ccc(cc1)O)N 1P003QD1 [0,2,0,0,0,0|2,0,0]=4 2810 B12R1.49 OC[C@H](Cc1ccc(cc1)Br)N 1P01JM4D [0,2,0,0,0,0|2,0,0]=4 2811 B12R1.49 OC[C@H](Cc1ccc(cc1)C)N 1P01JM2C [0,2,0,0,0,0|2,0,0]=4 2812 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P0028CV [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P019GEA [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.49 OC[C@H](Cc1ccc(cc1)F)N 1P002D3T [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.49 OC[C@H](Cc1ccc(cc1)N)N 1P00FI1E [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.49 OC[C@H](Cc1ccc(cc1)O)N 1P0035KS [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.49 ONC(=N)Cc1ccc(cc1)O 1P00F24J [0,2,0,0,0,0|1,0,1]=4 2818 B12R1.49 ONC(=O)Cc1ccc(cc1)Br 1P019XE1 [0,2,0,0,0,0|1,0,1]=4 2819 B12R1.49 ONC(=O)Cc1ccc(cc1)C 1P019X7E [0,2,0,0,0,0|1,0,1]=4 2820 B12R1.49 ONC(=O)Cc1ccc(cc1)Cl 1P019XEP [0,2,0,0,0,0|1,0,1]=4 2821 B12R1.49 ONC(=O)Cc1ccc(cc1)F 1P019XEM [0,2,0,0,0,0|1,0,1]=4 2822 B12R1.49 ONC(=O)Cc1ccc(cc1)N 1P028WN8 [0,2,0,0,0,0|1,0,1]=4 2823 B12R1.69 BrCCCc1ccc(cc1F)F 1P01BLFO [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.69 CCCCc1ccc(cc1O)O 1P002EFS [0,2,0,0,0,0|1,0,0]=3 2825 B12R1.69 CCCNc1ccc(cc1Cl)Br 1P01ELLR [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.69 CCCNc1ccc(cc1N)C 1P019VVI [0,2,0,0,0,0|2,0,0]=4 2827 B12R1.69 CCCNc1ccc(cc1N)Cl 1P019VVM [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.69 CCCNc1ccc(cc1N)F 1P00I631 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.69 CCCOc1ccc(cc1Br)F 1P0005NY [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.69 CCCOc1ccc(cc1Cl)N 1P00J2C7 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.69 CCCOc1ccc(cc1Cl)N 1P019WF8 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.69 CCCOc1ccc(cc1F)N 1P01BY6T [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.69 CCCOc1ccc(cc1N)Cl 1P019W8N [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.69 CCCOc1ccc(cc1N)F 1P0217FL [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.69 CCCSc1ccc(cc1Cl)Cl 1P01F0Q5 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.69 CCNCc1ccc(cc1Cl)Cl 1P003TG9 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.69 CCNCc1ccc(cc1F)F 1P019M73 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.69 CCOCc1ccc(cc1Br)F 1P009604 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.69 CNC=Nc1ccc(cc1C)C 1P00DFME [0,2,0,0,0,0|1,0,1]=4 2840 B12R1.69 CNCCc1ccc(cc1Cl)Cl 1P00FZP2 [0,2,0,0,0,0|0,0,0]=2 2841 B12R1.69 CNCCc1ccc(cc1Cl)Cl 1P028BMX [0,2,0,0,0,0|0,0,0]=2 2842 B12R1.69 CNCCc1ccc(cc1F)F 1P01DYY1 [0,2,0,0,0,0|0,0,0]=2 2843 B12R1.69 CNCCc1ccc(cc1F)F 1P01JLQU [0,2,0,0,0,0|0,0,0]=2 2844 B12R1.69 COCCn1ccc(cc1=O)Br 1P01VHT2 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.69 COCCn1ccc(cc1=O)N 1P00ILJG [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.69 COCOc1ccc(cc1Br)Br 1P007QDQ [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.69 COCOc1ccc(cc1Br)C 1P007Y10 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.69 COCOc1ccc(cc1Cl)N 1P027U2S [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.69 COCOc1ccc(cc1F)Br 1P00ACTF [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.69 COCOc1ccc(cc1S)Br 1P0292IN [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.69 N#CCCc1ccc(cc1Br)F 1P01OIH0 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.69 NCCCc1ccc(cc1Br)C 1P028R1J [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.69 NCCCc1ccc(cc1C)C 1P019OTY [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.69 NCCCc1ccc(cc1C)C 1P01BXWG [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.69 NCCCc1ccc(cc1C)F 1P027VJP [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.69 NCCCc1ccc(cc1Cl)Cl 1P001FEF [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.69 NCCCc1ccc(cc1F)Br 1P01AJB0 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.69 NCCCc1ccc(cc1F)F 1P00D621 [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.69 NCCCc1ccc(cc1O)C 1P027WWM [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.69 O=CCCc1ccc(cc1Cl)Cl 1P0067UO [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.69 O=CCCc1ccc(cc1F)F 1P00KU06 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.69 OCCCc1ccc(cc1F)F 1P01JMOZ [0,2,0,0,0,0|2,0,0]=4 2863 B12R1.69 OCCCc1ccc(cc1N)C 1P00G435 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.71 BrCCCc1ccc(cc1)OC 1P003DD9 [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.71 CC=NCc1ccc(cc1)OC 1P005AYX [0,2,0,0,0,0|2,0,0]=4 2866 B12R1.71 CCCCc1ccc(cc1)C#C 1P003LIA [0,2,0,0,0,0|1,0,0]=3 2867 B12R1.71 CCCCc1ccc(cc1)C#N 1P002IZQ [0,2,0,0,0,0|1,0,0]=3 2868 B12R1.71 CCCCc1ccc(cc1)C=O 1P000QJ0 [0,2,0,0,0,0|1,0,0]=3 2869 B12R1.71 CCCCc1ccc(cc1)CBr 1P003LI6 [0,2,0,0,0,0|1,0,0]=3 2870 B12R1.71 CCCCc1ccc(cc1)CCl 1P0280RH [0,2,0,0,0,0|1,0,0]=3 2871 B12R1.71 CCCCc1ccc(cc1)CN 1P003MAB [0,2,0,0,0,0|1,0,0]=3 2872 B12R1.71 CCCCc1ccc(cc1)CO 1P003LI5 [0,2,0,0,0,0|1,0,0]=3 2873 B12R1.71 CCCCc1ccc(cc1)CS 1P0280B5 [0,2,0,0,0,0|1,0,0]=3 2874 B12R1.71 CCCCc1ccc(cc1)NC 1P019U72 [0,2,0,0,0,0|1,0,0]=3 2875 B12R1.71 CCCCc1ccc(cc1)NN 1P00EA9A [0,2,0,0,0,0|1,0,0]=3 2876 B12R1.71 CCCNc1ccc(cc1)CC 1P01C1NI [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.71 CCCNc1ccc(cc1)CN 1P01BEUL [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.71 CCCOc1ccc(cc1)C#C 1P00BYCC [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.71 CCCOc1ccc(cc1)C#N 1P00EAAW [0,2,0,0,0,0|2,0,0]=4 2880 B12R1.71 CCCOc1ccc(cc1)C=O 1P003ME7 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.71 CCCOc1ccc(cc1)CCl 1P01A24T [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.71 CCCOc1ccc(cc1)CN 1P007P3V [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.71 CCCOc1ccc(cc1)CO 1P019XHX [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.71 CCCOc1ccc(cc1)CS 1P0291GM [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.71 CCCOc1ccc(cc1)NC 1P00DNZA [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.71 CCCSc1ccc(cc1)CO 1P01ACD8 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.71 CCNCc1ccc(cc1)CC 1P00J4JC [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.71 CCNCc1ccc(cc1)OC 1P002M9L [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.71 CCNCc1ccc(cc1)OC 1P00GUS1 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.71 CCNCc1ccc(cc1)SC 1P00J4FD [0,2,0,0,0,0|2,0,0]=4 2891 B12R1.71 CCOCc1ccc(cc1)CN 1P019M5I [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.71 CCOCc1ccc(cc1)OC 1P00DFTA [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.71 CCc1ccc(cc1)CCC=O 1P008XXS [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.71 CNCCc1ccc(cc1)C#N 1P01B7HI [0,2,0,0,0,0|0,0,0]=2 2895 B12R1.71 CNCCc1ccc(cc1)OC 1P003TMF [0,2,0,0,0,0|0,0,0]=2 2896 B12R1.71 CNCCc1ccc(nc1)OC 1P01BW1H [0,2,0,0,0,0|1,0,0]=3 2897 B12R1.71 COCCc1ccc(cc1)OC 1P005C0D [0,2,0,0,0,0|1,0,0]=3 2898 B12R1.71 COCOc1ccc(cc1)C=O 1P01IPZY [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.71 COc1ccc(cc1)CCC#C 1P024V96 [0,2,0,0,0,0|1,0,1]=4 2900 B12R1.71 COc1ccc(cc1)CCC#N 1P00BD9K [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.71 COc1ccc(cc1)CCC=O 1P0029QT [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.71 ClCCCc1ccc(cc1)OC 1P01BLLU [0,2,0,0,0,0|2,0,0]=4 2903 B12R1.71 ICCCc1ccc(cc1)OC 1P01JMOT [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.71 NCCCc1ccc(cc1)OC 1P00BZAA [0,2,0,0,0,0|2,0,0]=4 2905 B12R1.71 NCCCc1ccc(cc1)OC 1P00C084 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.71 NNCCc1ccc(cc1)OC 1P01AKIE [0,2,0,0,0,0|1,0,0]=3 2907 B12R1.71 O=CCCc1ccc(cc1)C#N 1P009GQB [0,2,0,0,0,0|2,0,0]=4 2908 B12R1.71 OCCCc1ccc(cc1)C#N 1P004X8F [0,2,0,0,0,0|2,0,0]=4 2909 B12R1.71 OCCCc1ccc(cc1)CC 1P0022BV [0,2,0,0,0,0|2,0,0]=4 2910 B12R1.71 OCCCc1ccc(cc1)OC 1P003ILL [0,2,0,0,0,0|2,0,0]=4 2911 B12R1.71 OCc1ccc(cc1)CCC#C 1P01BDW3 [0,2,0,0,0,0|1,0,1]=4 2912 B12R1.71 OCc1ccc(cc1)CCOC 1P01A549 [0,2,0,0,0,0|1,0,0]=3 2913 B12R1.385 BrCCCc1ccc(c(c1)Cl)Cl 1P01ACIY [0,2,0,0,0,0|2,0,0]=4 2914 B12R1.385 BrCCCc1ccc(c(c1)F)F 1P01BLCL [0,2,0,0,0,0|2,0,0]=4 2915 B12R1.385 C=CCCc1ccc(c(c1)C)C 1P01EMIZ [0,2,0,0,0,0|1,0,1]=4 2916 B12R1.385 CCCCc1ccc(c(c1)C)O 1P01DZBO [0,2,0,0,0,0|1,0,0]=3 2917 B12R1.385 CCCCc1ccc(c(c1)I)N 1P01DXDC [0,2,0,0,0,0|1,0,0]=3 2918 B12R1.385 CCCCc1ccc(c(c1)N)C 1P008PBO [0,2,0,0,0,0|1,0,0]=3 2919 B12R1.385 CCCCc1ccc(c(c1)O)O 1P00BJNG [0,2,0,0,0,0|1,0,0]=3 2920 B12R1.385 CCCNc1ccc(c(c1)C)C 1P01FKRF [0,2,0,0,0,0|2,0,0]=4 2921 B12R1.385 CCCNc1ccc(c(c1)C)Cl 1P01FKPS [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.385 CCCNc1ccc(c(c1)C)N 1P028CRY [0,2,0,0,0,0|2,0,0]=4 2923 B12R1.385 CCCNc1ccc(c(c1)C)N 1P028EBA [0,2,0,0,0,0|2,0,0]=4 2924 B12R1.385 CCCNc1ccc(c(c1)Cl)C 1P01FKRG [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.385 CCCNc1ccc(c(c1)Cl)Cl 1P01EJJS [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.385 CCCOc1ccc(c(c1)C)N 1P00G80R [0,2,0,0,0,0|2,0,0]=4 2927 B12R1.385 CCCOc1ccc(c(c1)F)N 1P028HU1 [0,2,0,0,0,0|2,0,0]=4 2928 B12R1.385 CCCOc1ccc(c(c1)N)N 1P00IAHW [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.385 CCCSc1ccc(c(c1)N)N 1P006K3T [0,2,0,0,0,0|2,0,0]=4 2930 B12R1.385 CCNCc1ccc(c(c1)C)C 1P003TGD [0,2,0,0,0,0|2,0,0]=4 2931 B12R1.385 CCNCc1ccc(c(c1)Cl)Cl 1P019WO6 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.385 CCNCc1ccc(c(c1)F)F 1P019W9N [0,2,0,0,0,0|2,0,0]=4 2933 B12R1.385 CCNCc1ccc(c(c1)O)O 1P001DQX [0,2,0,0,0,0|2,0,0]=4 2934 B12R1.385 CNCCc1ccc(c(c1)Br)O 1P028KA6 [0,2,0,0,0,0|0,0,0]=2 2935 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 1P028RAC [0,2,0,0,0,0|0,0,0]=2 2936 B12R1.385 CNCCc1ccc(c(c1)O)O 1P00E95T [0,2,0,0,0,0|0,0,0]=2 2937 B12R1.385 COCCc1ccc(c(c1)Cl)O 1P01BXUW [0,2,0,0,0,0|1,0,0]=3 2938 B12R1.385 COCOc1ccc(c(c1)F)Br 1P021QX5 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.385 COCOc1ccc(c(c1)F)Cl 1P00GAZU [0,2,0,0,0,0|2,0,0]=4 2940 B12R1.385 Cc1cc(CCCC)ncc1N 1P01DTC7 [0,2,0,0,0,0|2,0,0]=4 2941 B12R1.385 Cc1nc(CCCC)ccc1N 1P01DTAE [0,2,0,0,0,0|2,0,0]=4 2942 B12R1.385 N#CCCc1ccc(c(c1)C)O 1P01EMU2 [0,2,0,0,0,0|2,0,0]=4 2943 B12R1.385 NCCCc1ccc(c(c1)Br)O 1P0285TI [0,2,0,0,0,0|2,0,0]=4 2944 B12R1.385 NCCCc1ccc(c(c1)C)C 1P0281H4 [0,2,0,0,0,0|2,0,0]=4 2945 B12R1.385 NCCCc1ccc(c(c1)Cl)Cl 1P00GGYQ [0,2,0,0,0,0|2,0,0]=4 2946 B12R1.385 NCCCc1ccc(c(c1)F)F 1P00D620 [0,2,0,0,0,0|2,0,0]=4 2947 B12R1.385 NCCCc1ccc(c(c1)O)O 1P01JMHF [0,2,0,0,0,0|2,0,0]=4 2948 B12R1.385 O=CCCc1ccc(c(c1)Cl)Cl 1P00BLK0 [0,2,0,0,0,0|2,0,0]=4 2949 B12R1.385 O=CCCc1ccc(c(c1)F)F 1P001XHT [0,2,0,0,0,0|2,0,0]=4 2950 B12R1.385 OCCCc1ccc(c(c1)Cl)Cl 1P01A6UV [0,2,0,0,0,0|2,0,0]=4 2951 B12R1.3 C=CCC(c1ccccc1)CO 1P01B37G [0,2,0,0,0,0|1,0,1]=4 2952 B12R1.3 CCC(c1ccccc1)NCC 1P019M77 [0,2,0,0,0,0|2,0,0]=4 2953 B12R1.3 CCCC(c1ccccc1)C=O 1P01A4J2 [0,2,0,0,0,0|1,0,0]=3 2954 B12R1.3 CCCC(c1ccccn1)NC 1P01ABLS [0,2,0,0,0,0|2,0,0]=4 2955 B12R1.3 CCOC(c1ccccc1)C#N 1P01AFW1 [0,2,0,0,0,0|2,0,0]=4 2956 B12R1.3 CNC(c1ccccc1)CC#C 1P01AAJG [0,2,0,0,0,0|1,0,1]=4 2957 B12R1.3 COCC(c1ccccn1)NC 1P006AOU [0,2,0,0,0,0|2,0,0]=4 2958 B12R1.3 N#CC(c1ccccc1)CC#N 1P001399 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.3 NCC(c1ccccc1)OCC 1P01BFHK [0,2,0,0,0,0|2,0,0]=4 2960 B12R1.3 O=CC(c1ccccc1)CC=C 1P007NYV [0,2,0,0,0,0|1,0,1]=4 2961 B12R1.3 OCC(c1ccccc1)NCC 1P01AYUQ [0,2,0,0,0,0|2,0,0]=4 2962 B12R1.3 OCCC(c1ccccc1)CN 1P0073RE [0,2,0,0,0,0|2,0,0]=4 2963 B12R1.3 OCCC(c1ccccc1)NC 1P00FE1N [0,2,0,0,0,0|2,0,0]=4 2964 B12R1.17 C=CCC(c1cccc(c1)Cl)N 1P01X006 [0,2,0,0,0,0|1,0,1]=4 2965 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1P00CBUD [0,2,0,0,0,0|1,0,1]=4 2966 B12R1.17 CCCC(=O)c1cccc(c1)N 1P0029C9 [0,2,0,0,0,0|1,0,1]=4 2967 B12R1.17 CCCC(c1cccc(c1)F)N 1P00ASSL [0,2,0,0,0,0|1,0,0]=3 2968 B12R1.17 CCNC(c1cccc(c1)O)C 1P019NN1 [0,2,0,0,0,0|2,0,0]=4 2969 B12R1.17 CNCC(c1cccc(c1)Br)O 1P01ALNQ [0,2,0,0,0,0|0,0,0]=2 2970 B12R1.17 CNCC(c1cccc(c1)C)O 1P01BNXW [0,2,0,0,0,0|0,0,0]=2 2971 B12R1.17 CNCC(c1cccc(c1)O)O 1P003QB4 [0,2,0,0,0,0|0,0,0]=2 2972 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 1P003U6B [0,2,0,0,0,0|0,0,0]=2 2973 B12R1.17 CNC[C@@H](c1cccc(c1)O)O 1P00IB8X [0,2,0,0,0,0|0,0,0]=2 2974 B12R1.17 COCC(=O)c1cccc(c1)Cl 1P01BC5C [0,2,0,0,0,0|1,0,1]=4 2975 B12R1.17 COCC(c1cccc(c1)Br)N 1P01BSPB [0,2,0,0,0,0|1,0,0]=3 2976 B12R1.17 COCC(c1cccc(c1)Cl)N 1P01BCBA [0,2,0,0,0,0|1,0,0]=3 2977 B12R1.17 COCC(c1cccc(c1)N)O 1P01A996 [0,2,0,0,0,0|1,0,0]=3 2978 B12R1.17 COCC(c1cncc(c1)F)N 1P028ABG [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.17 COC[C@H](c1cccc(c1)Cl)N 1P01KLPI [0,2,0,0,0,0|1,0,0]=3 2980 B12R1.17 COC[C@H](c1cccc(c1)F)N 1P01KKYG [0,2,0,0,0,0|1,0,0]=3 2981 B12R1.17 N#CCC(c1cccc(c1)Cl)O 1P0287Z9 [0,2,0,0,0,0|2,0,0]=4 2982 B12R1.17 OCCC(c1cccc(c1)Br)N 1P00G3DR [0,2,0,0,0,0|2,0,0]=4 2983 B12R1.17 OCCC(c1cccc(c1)Br)N 1P01DMCH [0,2,0,0,0,0|2,0,0]=4 2984 B12R1.17 OCCC(c1cccc(c1)Cl)N 1P005Z1V [0,2,0,0,0,0|2,0,0]=4 2985 B12R1.17 OCCC(c1cccc(c1)Cl)O 1P0037LE [0,2,0,0,0,0|2,0,0]=4 2986 B12R1.17 OCCC(c1cccc(c1)F)N 1P00FBEB [0,2,0,0,0,0|2,0,0]=4 2987 B12R1.17 OCC[C@@H](c1cccc(c1)Br)N 1P00AAFA [0,2,0,0,0,0|2,0,0]=4 2988 B12R1.17 OCC[C@@H](c1cccc(c1)C)N 1P00HGJ8 [0,2,0,0,0,0|2,0,0]=4 2989 B12R1.17 OCC[C@@H](c1cccc(c1)Cl)N 1P009ZWB [0,2,0,0,0,0|2,0,0]=4 2990 B12R1.17 OCC[C@@H](c1cccc(c1)Cl)O 1P00ELIZ [0,2,0,0,0,0|2,0,0]=4 2991 B12R1.17 OCC[C@@H](c1cccc(c1)O)N 1P00HGJ6 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.17 OCC[C@H](c1cccc(c1)Br)N 1P009ZW2 [0,2,0,0,0,0|2,0,0]=4 2993 B12R1.17 OCC[C@H](c1cccc(c1)C)N 1P00HGKA [0,2,0,0,0,0|2,0,0]=4 2994 B12R1.17 OCC[C@H](c1cccc(c1)Cl)N 1P009BQF [0,2,0,0,0,0|2,0,0]=4 2995 B12R1.17 OCC[C@H](c1cccc(c1)F)N 1P00HRX7 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.30 BrCCCN(c1ccccc1)C 1P01C4YC [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.30 C#CCCC(=O)c1ccccc1 1P01DZL3 [0,2,0,0,0,0|1,0,1]=4 2998 B12R1.30 C=CCCC(=O)c1ccccc1 1P00C8HW [0,2,0,0,0,0|1,0,1]=4 2999 B12R1.30 C=CCCC(c1ccccc1)N 1P01A1ZO [0,2,0,0,0,0|1,0,1]=4 3000 B12R1.30 C=CCNC(c1ccccc1)C 1P01AX3I [0,2,0,0,0,0|1,0,1]=4 3001 B12R1.30 CC(c1ccccc1)NCC#C 1P00IALV [0,2,0,0,0,0|1,0,1]=4 3002 B12R1.30 CCCCC(=O)c1ccccc1 1P0003LL [0,2,0,0,0,0|1,0,0]=3 3003 B12R1.30 CCCCC(=O)c1cccnc1 1P0079EW [0,2,0,0,0,0|2,0,0]=4 3004 B12R1.30 CCCCC(=O)c1ccncc1 1P00ARKV [0,2,0,0,0,0|2,0,0]=4 3005 B12R1.30 CCCCC(c1ccccc1)O 1P003R1N [0,2,0,0,0,0|1,0,0]=3 3006 B12R1.30 CCCCC(c1ccccn1)N 1P01AU0Z [0,2,0,0,0,0|2,0,0]=4 3007 B12R1.30 CCCCC(c1cccnc1)N 1P00C91K [0,2,0,0,0,0|2,0,0]=4 3008 B12R1.30 CCCCC(c1ccncc1)N 1P01ATDS [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.30 CCCCC(c1ccncc1)N 1P01AUM5 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.30 CCCCC(c1ccncc1)N 1P01XCIU [0,2,0,0,0,0|2,0,0]=4 3011 B12R1.30 CCCCN(c1ccccc1)N 1P003F0M [0,2,0,0,0,0|1,0,0]=3 3012 B12R1.30 CCCC[C@@H](c1ccccc1)N 1P01A60F [0,2,0,0,0,0|1,0,0]=3 3013 B12R1.30 CCCC[C@@H](c1ccccc1)O 1P00CM66 [0,2,0,0,0,0|1,0,0]=3 3014 B12R1.30 CCCC[C@H](c1ccccc1)N 1P01A60H [0,2,0,0,0,0|1,0,0]=3 3015 B12R1.30 CCCNC(=O)c1ccccc1 1P007WVC [0,2,0,0,0,0|1,0,1]=4 3016 B12R1.30 CCCNC(c1ccccc1)C 1P00BBYH [0,2,0,0,0,0|1,0,0]=3 3017 B12R1.30 CCCOC(=O)c1ccccc1 1P002MUW [0,2,0,0,0,0|1,0,1]=4 3018 B12R1.30 CCNCC(c1ccccc1)N 1P01A2CQ [0,2,0,0,0,0|0,0,0]=2 3019 B12R1.30 CCOCC(c1ccccc1)N 1P01WZT9 [0,2,0,0,0,0|1,0,0]=3 3020 B12R1.30 CCSCC(=O)c1ccccc1 1P0008NQ [0,2,0,0,0,0|1,0,1]=4 3021 B12R1.30 CN(c1ccccc1)CCC#C 1P0013HQ [0,2,0,0,0,0|1,0,1]=4 3022 B12R1.30 CN(c1ccccc1)CCC#N 1P003SPW [0,2,0,0,0,0|2,0,0]=4 3023 B12R1.30 CNCCC(=O)c1ccccc1 1P00I5B3 [0,2,0,0,0,0|0,0,0]=2 3024 B12R1.30 CNCCC(c1ccccc1)O 1P00346T [0,2,0,0,0,0|0,0,0]=2 3025 B12R1.30 CNCCN(c1ccccc1)C 1P01AH3S [0,2,0,0,0,0|0,0,0]=2 3026 B12R1.30 CNCCN(c1ccccc1)C 1P028RXS [0,2,0,0,0,0|0,0,0]=2 3027 B12R1.30 CNCC[C@@H](c1ccccc1)O 1P000B3I [0,2,0,0,0,0|0,0,0]=2 3028 B12R1.30 CNCC[C@H](c1ccccc1)O 1P000H17 [0,2,0,0,0,0|0,0,0]=2 3029 B12R1.30 COCCC(=O)c1ccccc1 1P01A2HK [0,2,0,0,0,0|1,0,0]=3 3030 B12R1.30 COCCC(c1ccccc1)Cl 1P00DQG1 [0,2,0,0,0,0|1,0,0]=3 3031 B12R1.30 COCCC(c1ccccc1)O 1P01A2S9 [0,2,0,0,0,0|1,0,0]=3 3032 B12R1.30 COCC[C@H](c1ccccc1)N 1P028QNB [0,2,0,0,0,0|1,0,0]=3 3033 B12R1.30 ClCCCC(=O)c1ccccc1 1P0034GQ [0,2,0,0,0,0|1,0,1]=4 3034 B12R1.30 N#CCCC(=O)c1ccccc1 1P003MER [0,2,0,0,0,0|2,0,0]=4 3035 B12R1.30 NC(c1ccccc1)CCC#C 1P01DWCL [0,2,0,0,0,0|1,0,1]=4 3036 B12R1.30 NC(c1ccccc1)CCC#N 1P01A295 [0,2,0,0,0,0|1,0,1]=4 3037 B12R1.30 NCCCC(c1ccccc1)C 1P024SFP [0,2,0,0,0,0|1,0,0]=3 3038 B12R1.30 NCCCC(c1ccccc1)N 1P027XAJ [0,2,0,0,0,0|1,0,0]=3 3039 B12R1.30 NCCCN(c1ccccc1)C 1P003SRA [0,2,0,0,0,0|2,0,0]=4 3040 B12R1.30 O=CNCC(=O)c1ccccc1 1P00FGWF [0,2,0,0,0,0|0,0,2]=4 3041 B12R1.30 OC(c1ccccc1)CCC#C 1P01DZO5 [0,2,0,0,0,0|1,0,1]=4 3042 B12R1.30 OC(c1ccccc1)CN=[N+]=[N-] 1P01B9LH [0,2,0,0,0,0|1,0,1]=4 3043 B12R1.30 OCCCC(=O)c1ccccc1 1P0077WH [0,2,0,0,0,0|1,0,1]=4 3044 B12R1.30 OCCCC(c1ccccc1)N 1P00CNE3 [0,2,0,0,0,0|1,0,0]=3 3045 B12R1.30 OCCCC(c1ccccc1)O 1P01I7XA [0,2,0,0,0,0|1,0,0]=3 3046 B12R1.30 OCCCC(c1cccnc1)N 1P0282FM [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.30 OCCCN(c1ccccc1)C 1P00BYVQ [0,2,0,0,0,0|2,0,0]=4 3048 B12R1.30 OCCC[C@@H](c1ccccc1)N 1P002326 [0,2,0,0,0,0|1,0,0]=3 3049 B12R1.30 OCCN[C@@H](c1ccccc1)C 1P0059K4 [0,2,0,0,0,0|2,0,0]=4 3050 B12R1.30 OCCN[C@H](c1ccccc1)C 1P00IC3Y [0,2,0,0,0,0|2,0,0]=4 3051 B12R1.34 CC(C(C#N)Br)c1ccccc1 1P01C0JZ [0,2,0,0,0,0|2,0,0]=4 3052 B12R1.34 CC(C(C#N)Cl)c1ccccc1 1P01EMAW [0,2,0,0,0,0|2,0,0]=4 3053 B12R1.34 CCC(C(=O)c1ccccc1)Br 1P00GWZY [0,2,0,0,0,0|1,0,1]=4 3054 B12R1.34 CCC(C(=O)c1ccccc1)N 1P01EAC5 [0,2,0,0,0,0|1,0,1]=4 3055 B12R1.34 CCC(C(c1ccccc1)C)N 1P019U5I [0,2,0,0,0,0|1,0,0]=3 3056 B12R1.34 CCC(C(c1ccccc1)N)C 1P00IDOC [0,2,0,0,0,0|1,0,0]=3 3057 B12R1.34 CCC(C(c1ccccc1)O)N 1P00ENQI [0,2,0,0,0,0|1,0,0]=3 3058 B12R1.34 CCC(C(c1ccccc1)O)N 1P01AAPQ [0,2,0,0,0,0|1,0,0]=3 3059 B12R1.34 CNC(=O)C(c1ccccc1)N 1P00J2L9 [0,2,0,0,0,0|0,0,1]=3 3060 B12R1.34 CNC(=O)C(c1ccccc1)O 1P01K16T [0,2,0,0,0,0|0,0,1]=3 3061 B12R1.34 CNC(=O)[C@@H](c1ccccc1)N 1P01A3EY [0,2,0,0,0,0|0,0,1]=3 3062 B12R1.34 CNC(=O)[C@H](c1ccccc1)O 1P01K16S [0,2,0,0,0,0|0,0,1]=3 3063 B12R1.34 CNC(C(=C)c1ccccc1)C 1P02898U [0,2,0,0,0,0|0,0,1]=3 3064 B12R1.34 CNC(C(c1ccccc1)C)C 1P01AFP5 [0,2,0,0,0,0|0,0,0]=2 3065 B12R1.34 COC(=O)C(c1ccccc1)Br 1P0030JE [0,2,0,0,0,0|1,0,1]=4 3066 B12R1.34 COC(=O)C(c1ccccc1)C 1P00C790 [0,2,0,0,0,0|1,0,1]=4 3067 B12R1.34 COC(=O)C(c1ccccc1)Cl 1P003S3V [0,2,0,0,0,0|1,0,1]=4 3068 B12R1.34 COC(=O)C(c1ccccc1)F 1P00AMHM [0,2,0,0,0,0|1,0,1]=4 3069 B12R1.34 COC(=O)C(c1ccccc1)N 1P003OHI [0,2,0,0,0,0|1,0,1]=4 3070 B12R1.34 COC(=O)C(c1ccccc1)N 1P00BFQQ [0,2,0,0,0,0|1,0,1]=4 3071 B12R1.34 COC(=O)C(c1ccccc1)O 1P00DEAI [0,2,0,0,0,0|1,0,1]=4 3072 B12R1.34 COC(=O)[C@@H](c1ccccc1)C 1P00I772 [0,2,0,0,0,0|1,0,1]=4 3073 B12R1.34 COC(=O)[C@@H](c1ccccc1)N 1P00I44U [0,2,0,0,0,0|1,0,1]=4 3074 B12R1.34 COC(=O)[C@@H](c1ccccc1)O 1P003PO8 [0,2,0,0,0,0|1,0,1]=4 3075 B12R1.34 COC(=O)[C@H](c1ccccc1)N 1P0039EX [0,2,0,0,0,0|1,0,1]=4 3076 B12R1.34 COC(=O)[C@H](c1ccccc1)O 1P003RNG [0,2,0,0,0,0|1,0,1]=4 3077 B12R1.34 NCC(C(c1ccccc1)C)N 1P01B969 [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.34 NCC(C(c1ccccc1)C)O 1P01B7H0 [0,2,0,0,0,0|2,0,0]=4 3079 B12R1.34 NNC(=O)C(c1ccccc1)N 1P027VHP [0,2,0,0,0,0|1,0,1]=4 3080 B12R1.34 NNC(=O)C(c1ccccc1)O 1P003RWC [0,2,0,0,0,0|1,0,1]=4 3081 B12R1.34 NNC(=O)[C@@H](c1ccccc1)O 1P003CPR [0,2,0,0,0,0|1,0,1]=4 3082 B12R1.34 OCC(C(c1ccccc1)C)N 1P01AHV9 [0,2,0,0,0,0|2,0,0]=4 3083 B12R1.34 OC[C@@H]([C@H](c1ccccc1)O)N 1P003BZA [0,2,0,0,0,0|2,0,0]=4 3084 B12R1.34 OC[C@H]([C@@H](c1ccccc1)O)N 1P003BX5 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.39 C=CCC(c1ccccc1)(O)C 1P003IBR [0,2,0,0,0,0|1,0,1]=4 3086 B12R1.39 CCCC(c1ccccc1)(N)C 1P01BKU1 [0,2,0,0,0,0|1,0,0]=3 3087 B12R1.39 CNCC(c1ccccc1)(C)C 1P00VUKI [0,2,0,0,0,0|0,0,0]=2 3088 B12R1.39 CNCC(c1ccccc1)(F)C 1P028A3P [0,2,0,0,0,0|0,0,0]=2 3089 B12R1.39 CNCC(c1ccccc1)(F)F 1P027WS0 [0,2,0,0,0,0|0,0,0]=2 3090 B12R1.39 CNCC(c1ccccc1)(O)C 1P01C4EI [0,2,0,0,0,0|0,0,0]=2 3091 B12R1.39 COCC(c1ccccc1)(N)C 1P019UHP [0,2,0,0,0,0|1,0,0]=3 3092 B12R1.39 COCC(c1ccccc1)(O)C 1P019UE4 [0,2,0,0,0,0|1,0,0]=3 3093 B12R1.39 COCS(=O)(=O)c1ccccc1 1P00AQWR [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.39 NCCC(c1ccccc1)(C)C 1P019XQA [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.39 NCCC(c1ccccc1)(O)C 1P01AGFB [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.39 O=CCC(c1ccccc1)(C)C 1P00EL0L [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.39 OCCC(c1ccccc1)(C)C 1P018SJM [0,2,0,0,0,0|2,0,0]=4 3098 B12R1.107 CC(CC(=O)c1ccccc1)C 1P00IATM [0,2,0,0,0,0|1,0,1]=4 3099 B12R1.107 CC(CC(=O)c1ccccc1)N 1P01A02K [0,2,0,0,0,0|1,0,1]=4 3100 B12R1.107 CC(CC(c1ccccn1)C)C 1P01EY0Y [0,2,0,0,0,0|2,0,0]=4 3101 B12R1.107 CC(CC(c1ccccn1)N)C 1P003K4X [0,2,0,0,0,0|2,0,0]=4 3102 B12R1.107 CC(CC(c1ccccn1)N)C 1P028HXO [0,2,0,0,0,0|2,0,0]=4 3103 B12R1.107 CC(CC(c1ccccn1)O)C 1P01A0GP [0,2,0,0,0,0|2,0,0]=4 3104 B12R1.107 CC(CC(c1cccnc1)N)C 1P00GW1B [0,2,0,0,0,0|2,0,0]=4 3105 B12R1.107 CC(CN(c1ccccc1)C)N 1P019XOL [0,2,0,0,0,0|2,0,0]=4 3106 B12R1.107 CC(CN(c1ccccc1)C)N 1P01A7V7 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.107 CC(c1ccccc1)CC(=O)O 1P003KCA [0,2,0,0,0,0|2,0,0]=4 3108 B12R1.107 CC(c1ccccc1)NC(=O)C 1P00I7M1 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.107 CC(c1ccccc1)NC(C)C 1P0073Y4 [0,2,0,0,0,0|2,0,0]=4 3110 B12R1.107 CC(c1ccccc1)OC(=O)C 1P00IHWT [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.107 CN(CC(=O)c1ccccc1)C 1P00CNM0 [0,2,0,0,0,0|0,0,1]=3 3112 B12R1.107 CN(CC(c1cccnc1)N)C 1P028X9N [0,2,0,0,0,0|1,0,0]=3 3113 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O 1P003CQF [0,2,0,0,0,0|2,0,0]=4 3114 B12R1.107 C[C@@H](c1ccccc1)NC(C)C 1P000CM5 [0,2,0,0,0,0|2,0,0]=4 3115 B12R1.107 C[C@H](c1ccccc1)CC(=O)O 1P003D2T [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.107 C[C@H](c1ccccc1)NC(=O)C 1P00BYH2 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [0,2,0,0,0,0|1,0,0]=3 3118 B12R1.107 NC(c1ccccc1)CC(=O)N 1P019X2N [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.107 NC(c1ccccc1)CC(=O)O 1P003JBO [0,2,0,0,0,0|2,0,0]=4 3120 B12R1.107 NC(c1ccccc1)CC(=O)O 1P00DNX9 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.107 NC(c1ccccc1)CC(C)C 1P00C0WB [0,2,0,0,0,0|1,0,0]=3 3122 B12R1.107 NC(c1ccccc1)CC(C)C 1P019LPB [0,2,0,0,0,0|1,0,0]=3 3123 B12R1.107 NC(c1ccccc1)CC(F)F 1P01C40K [0,2,0,0,0,0|2,0,0]=4 3124 B12R1.107 NC(c1ccccc1)CN(C)C 1P00BZGW [0,2,0,0,0,0|0,0,0]=2 3125 B12R1.107 NC(c1ccccc1)CN(C)C 1P01ADDB [0,2,0,0,0,0|0,0,0]=2 3126 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [0,2,0,0,0,0|1,0,0]=3 3127 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P0032VU [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P004U26 [0,2,0,0,0,0|2,0,0]=4 3129 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P000T0X [0,2,0,0,0,0|1,0,0]=3 3130 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P008YO7 [0,2,0,0,0,0|1,0,0]=3 3131 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P003722 [0,2,0,0,0,0|0,0,0]=2 3132 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P01BD0I [0,2,0,0,0,0|0,0,0]=2 3133 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P003D2H [0,2,0,0,0,0|2,0,0]=4 3134 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P008J3J [0,2,0,0,0,0|2,0,0]=4 3135 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P000WWO [0,2,0,0,0,0|1,0,0]=3 3136 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P008YO9 [0,2,0,0,0,0|1,0,0]=3 3137 B12R1.107 N[C@H](c1ccccc1)CN(C)C 1P00BASK [0,2,0,0,0,0|0,0,0]=2 3138 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,2,0,0,0,0|1,0,1]=4 3139 B12R1.107 O=C(c1ccccc1)C[S+](C)C 1P002PYK [0,2,0,0,0,0|1,0,1]=4 3140 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [0,2,0,0,0,0|2,0,0]=4 3141 B12R1.107 OC(c1ccccc1)CC(F)F 1P01EN0Y [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.107 OC(c1ccccc1)CC(N)C 1P01A046 [0,2,0,0,0,0|1,0,0]=3 3143 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.107 O[C@@H](c1ccccc1)CN(C)C 1P028DPC [0,2,0,0,0,0|0,0,0]=2 3145 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [0,2,0,0,0,0|2,0,0]=4 3146 B12R1.308 CCCC(=O)c1ccccc1Cl 1P01DWP9 [0,2,0,0,0,0|1,0,1]=4 3147 B12R1.308 CCCC(=O)c1ccccc1O 1P002XD6 [0,2,0,0,0,0|1,0,1]=4 3148 B12R1.308 CCCC(c1ccccc1C)N 1P01AT9E [0,2,0,0,0,0|1,0,0]=3 3149 B12R1.308 CCCC(c1ccccc1Cl)O 1P01IGTQ [0,2,0,0,0,0|1,0,0]=3 3150 B12R1.308 CCCN(c1ccccc1N)C 1P01BY8N [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.308 CCC[C@H](c1ccccc1C)N 1P001TCR [0,2,0,0,0,0|1,0,0]=3 3152 B12R1.308 CCC[C@H](c1ccccc1C)N 1P00FAMU [0,2,0,0,0,0|1,0,0]=3 3153 B12R1.308 CNCC(=O)c1ccccc1Cl 1P01BILJ [0,2,0,0,0,0|0,0,1]=3 3154 B12R1.308 CNCC(c1ccccc1Br)O 1P01ALNO [0,2,0,0,0,0|0,0,0]=2 3155 B12R1.308 COCC(=O)c1ccccc1Cl 1P028NT2 [0,2,0,0,0,0|1,0,1]=4 3156 B12R1.308 COCC(=O)c1ccccc1F 1P0285IF [0,2,0,0,0,0|1,0,1]=4 3157 B12R1.308 COCC(c1ccccc1Cl)N 1P028NCU [0,2,0,0,0,0|1,0,0]=3 3158 B12R1.308 COCC(c1ccccc1Cl)O 1P028J5E [0,2,0,0,0,0|1,0,0]=3 3159 B12R1.308 CONC(c1ccccc1C)C 1P01BCYZ [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.308 CSCC(c1ccccc1Cl)N 1P028MEP [0,2,0,0,0,0|1,0,0]=3 3161 B12R1.308 N#CCC(c1ccccc1Cl)O 1P028XMV [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.308 OCCC(c1ccccc1Br)N 1P00ASQL [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.308 OCCC(c1ccccc1C)N 1P00C3JR [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.308 OCCC(c1ccccc1Cl)N 1P00BDV7 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.308 OCCC(c1ccccc1F)N 1P00EDSS [0,2,0,0,0,0|2,0,0]=4 3166 B12R1.308 OCCC(c1ccccc1F)N 1P00HVO6 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.308 OCCC(c1ccccc1N)N 1P00GT47 [0,2,0,0,0,0|2,0,0]=4 3168 B12R1.308 OCC[C@@H](c1ccccc1Cl)N 1P01ERGU [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.25 CCCNc1cccc(c1Cl)Cl 1P01BD6R [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.25 CCCNc1cccc(c1N)F 1P019VVR [0,2,0,0,0,0|2,0,0]=4 3171 B12R1.25 CCCOc1cccc(c1F)F 1P000N4W [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.25 CCCOc1cccc(c1N)Cl 1P01XC5K [0,2,0,0,0,0|2,0,0]=4 3173 B12R1.25 CCNCc1cccc(c1F)F 1P000H06 [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.25 COCCn1cccc(c1=O)N 1P01ENMO [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.25 COCCn1cccc(c1=O)N 1P028WF2 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.25 COCOc1cccc(c1F)C 1P01BGFE [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.25 NCCCc1cccc(c1Br)F 1P01FJ4O [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.25 NCCCc1cccc(c1O)F 1P02918P [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.25 NCCCc1cccc(c1O)O 1P01JMGU [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.25 OCCCc1cccc(c1F)F 1P01JMES [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.121 BrCCCc1ccccc1OC 1P00777S [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.121 C=CCCc1ccccc1C=O 1P0067NU [0,2,0,0,0,0|1,0,1]=4 3183 B12R1.121 CCCNc1ccccc1OC 1P01BUD5 [0,2,0,0,0,0|2,0,0]=4 3184 B12R1.121 CCCOc1ccccc1C#C 1P01BVGV [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.121 CCCOc1ccccc1C=O 1P003IA7 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.121 CCCOc1ccccc1CN 1P00C12Y [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.121 CCCOc1ccccc1CO 1P008VP3 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.121 CCCOc1ccccc1NC 1P01JMG4 [0,2,0,0,0,0|2,0,0]=4 3189 B12R1.121 CCNCc1ccccc1OC 1P00J27P [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.121 CCOCc1ccccc1C#N 1P019M3M [0,2,0,0,0,0|2,0,0]=4 3191 B12R1.121 CCOCc1ccccc1CN 1P019MEY [0,2,0,0,0,0|2,0,0]=4 3192 B12R1.121 CNCCc1ccccc1C#N 1P028GC2 [0,2,0,0,0,0|0,0,0]=2 3193 B12R1.121 CNCCc1ccccc1OC 1P0092SV [0,2,0,0,0,0|0,0,0]=2 3194 B12R1.121 ClCCCc1ccccc1OC 1P01A653 [0,2,0,0,0,0|2,0,0]=4 3195 B12R1.121 NCCCc1ccccc1OC 1P0036EA [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.121 NCCCc1ccccc1OC 1P027VJ9 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.121 O=CCCc1ccccc1OC 1P00CAXR [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.121 OCCCc1ccccc1OC 1P0085ZD [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.125 CC(=C)COc1ccccc1Br 1P00061Q [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.125 CC(=C)COc1ccccc1N 1P00DDN9 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.125 CC(=C)COc1ccccc1N 1P00J245 [0,2,0,0,0,0|2,0,0]=4 3202 B12R1.125 CC(=O)CCc1ccccc1Cl 1P01HUV1 [0,2,0,0,0,0|1,0,0]=3 3203 B12R1.125 CC(=O)CCc1ccccc1F 1P01AIYU [0,2,0,0,0,0|1,0,0]=3 3204 B12R1.125 CC(=O)NCc1ccccc1Br 1P008QXJ [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.125 CC(=O)NCc1ccccc1Cl 1P00EMME [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.125 CC(=O)NCc1ccccc1N 1P028LKH [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.125 CC(=O)NCc1ccccc1O 1P008NEH [0,2,0,0,0,0|2,0,0]=4 3208 B12R1.125 CC(CCc1ccccc1F)N 1P01DXR6 [0,2,0,0,0,0|1,0,0]=3 3209 B12R1.125 CC(CCc1ccccc1N)C 1P01A88D [0,2,0,0,0,0|1,0,0]=3 3210 B12R1.125 CC(CCc1cccnc1Br)O 1P024SFZ [0,2,0,0,0,0|2,0,0]=4 3211 B12R1.125 CC(CNc1ccccc1Cl)C 1P01C2ID [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.125 CC(COc1ccccc1C)N 1P00EE9F [0,2,0,0,0,0|2,0,0]=4 3213 B12R1.125 CC(COc1ccccc1C)O 1P003DBV [0,2,0,0,0,0|2,0,0]=4 3214 B12R1.125 CC(COc1ccccc1Cl)N 1P01ATX7 [0,2,0,0,0,0|2,0,0]=4 3215 B12R1.125 CC(COc1ccccc1F)N 1P019X51 [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.125 CC(COc1ccccc1N)C 1P007X8P [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.125 CC(COc1ccccc1O)C 1P007RA8 [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.125 CC(NCc1ccccc1Br)C 1P00GU9G [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.125 CC(NCc1ccccc1Br)C 1P00J251 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.125 CC(NCc1ccccc1C)C 1P00GVW4 [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.125 CC(NCc1ccccc1C)C 1P00J20F [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.125 CC(NCc1ccccc1Cl)C 1P00J24O [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.125 CC(NCc1ccccc1F)C 1P00H29D [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.125 CC(NCc1ccccc1N)C 1P000YAD [0,2,0,0,0,0|2,0,0]=4 3225 B12R1.125 CC(OCc1ccccc1N)C 1P019ZZ9 [0,2,0,0,0,0|2,0,0]=4 3226 B12R1.125 CN(CCc1ccccc1N)C 1P007CA9 [0,2,0,0,0,0|0,0,0]=2 3227 B12R1.125 CN(\C=N\c1ccccc1F)C 1P024IAV [0,2,0,0,0,0|1,0,1]=4 3228 B12R1.125 C[C@H](COc1ccccc1O)O 1P027W1Q [0,2,0,0,0,0|2,0,0]=4 3229 B12R1.125 ClC(=O)CCc1ccccc1Br 1P01EZGG [0,2,0,0,0,0|2,0,0]=4 3230 B12R1.125 NC(=O)CCc1ccccc1N 1P01BVV9 [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.125 NC(=O)CCc1ccccc1O 1P007P5E [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.125 OC(=O)CCc1ccccc1Br 1P001NLG [0,2,0,0,0,0|2,0,0]=4 3233 B12R1.125 OC(=O)CCc1ccccc1C 1P003BQQ [0,2,0,0,0,0|2,0,0]=4 3234 B12R1.125 OC(=O)CCc1ccccc1Cl 1P001V8E [0,2,0,0,0,0|2,0,0]=4 3235 B12R1.125 OC(=O)CCc1ccccc1F 1P001V8F [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.125 OC(=O)CCc1ccccc1I 1P00IKAW [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.125 OC(=O)CCc1ccccc1O 1P003IHI [0,2,0,0,0,0|2,0,0]=4 3238 B12R1.125 [O-]C(=O)CCc1ccccc1N 1P01JMCU [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.267 BrCCCCc1ccccc1Br 1P01JMNF [0,2,0,0,0,0|1,0,0]=3 3240 B12R1.267 BrCCCCc1ccccc1C 1P01JMMS [0,2,0,0,0,0|1,0,0]=3 3241 B12R1.267 BrCCCCc1ccccc1Cl 1P01JMNT [0,2,0,0,0,0|1,0,0]=3 3242 B12R1.267 BrCCCCc1ccccc1F 1P01JMNZ [0,2,0,0,0,0|1,0,0]=3 3243 B12R1.267 BrCCCOc1ccccc1Br 1P003DD7 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.267 BrCCCOc1ccccc1C 1P00D8EF [0,2,0,0,0,0|2,0,0]=4 3245 B12R1.267 BrCCCOc1ccccc1F 1P00APJ0 [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.267 C#CCNCc1ccccc1Cl 1P00J4EI [0,2,0,0,0,0|1,0,1]=4 3247 B12R1.267 C=CCCCc1ccccc1Br 1P01BZ3C [0,2,0,0,0,0|1,0,1]=4 3248 B12R1.267 C=CCNCc1ccccc1C 1P00J4EJ [0,2,0,0,0,0|1,0,1]=4 3249 B12R1.267 C=CCNCc1ccccc1Cl 1P00J4KB [0,2,0,0,0,0|1,0,1]=4 3250 B12R1.267 C=CCNCc1ccccc1F 1P00JU2A [0,2,0,0,0,0|1,0,1]=4 3251 B12R1.267 CCCCOc1ccccc1Br 1P00E4TB [0,2,0,0,0,0|1,0,0]=3 3252 B12R1.267 CCCCOc1ccccc1N 1P00D9SI [0,2,0,0,0,0|1,0,0]=3 3253 B12R1.267 CCCCOc1ncccc1Cl 1P00H9RH [0,2,0,0,0,0|2,0,0]=4 3254 B12R1.267 CCCNCc1ccccc1Br 1P00GLYA [0,2,0,0,0,0|1,0,0]=3 3255 B12R1.267 CCCNCc1ccccc1C 1P00J4G8 [0,2,0,0,0,0|1,0,0]=3 3256 B12R1.267 CCCNCc1ccccc1Cl 1P00J25B [0,2,0,0,0,0|1,0,0]=3 3257 B12R1.267 CCCNCc1ccccc1F 1P00J4DW [0,2,0,0,0,0|1,0,0]=3 3258 B12R1.267 CCCNCc1ccccc1O 1P004TFT [0,2,0,0,0,0|1,0,0]=3 3259 B12R1.267 CCOCOc1ccccc1Br 1P01BDOI [0,2,0,0,0,0|2,0,0]=4 3260 B12R1.267 CNCCCc1ccccc1Cl 1P01QTAS [0,2,0,0,0,0|0,0,0]=2 3261 B12R1.267 CNCCOc1ccccc1C 1P019PN7 [0,2,0,0,0,0|0,0,0]=2 3262 B12R1.267 CNCCOc1ccccc1Cl 1P005KTZ [0,2,0,0,0,0|0,0,0]=2 3263 B12R1.267 CNCCOc1ccccc1F 1P00GX47 [0,2,0,0,0,0|0,0,0]=2 3264 B12R1.267 COCCNc1ccccc1N 1P00F0JH [0,2,0,0,0,0|1,0,0]=3 3265 B12R1.267 COCCNc1ccncc1N 1P01AMM2 [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.267 COCCNc1ncccc1F 1P01DVSC [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.267 COCCOc1ccccc1Br 1P0082WS [0,2,0,0,0,0|1,0,0]=3 3268 B12R1.267 COCCOc1ccccc1N 1P005PHA [0,2,0,0,0,0|1,0,0]=3 3269 B12R1.267 COCCOc1ccccc1N 1P00J3FT [0,2,0,0,0,0|1,0,0]=3 3270 B12R1.267 COCCOc1ccccc1O 1P01G9PW [0,2,0,0,0,0|1,0,0]=3 3271 B12R1.267 COCCOc1ncccc1Br 1P00ID5H [0,2,0,0,0,0|2,0,0]=4 3272 B12R1.267 COCCOc1ncccc1N 1P01AAQQ [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.267 ClCCCOc1ccccc1F 1P01DVG3 [0,2,0,0,0,0|2,0,0]=4 3274 B12R1.267 ClCCCSc1ccccc1Cl 1P01AADU [0,2,0,0,0,0|2,0,0]=4 3275 B12R1.267 ICCCCc1ccccc1F 1P01JMO9 [0,2,0,0,0,0|1,0,0]=3 3276 B12R1.267 N#CCCCc1ccccc1Br 1P01A6XU [0,2,0,0,0,0|1,0,1]=4 3277 B12R1.267 N#CCCCc1ccccc1Cl 1P01A6XI [0,2,0,0,0,0|1,0,1]=4 3278 B12R1.267 N#CCCNc1ccccc1F 1P00BBOY [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.267 N#CCCNc1ccccc1N 1P01H727 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.267 N#CCCOc1ccccc1Br 1P00ATCO [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.267 N#CCCOc1ccccc1C 1P006WVP [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.267 N#CCCOc1ccccc1F 1P0083CR [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.267 N#CCCSc1ccccc1N 1P00DNKX [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.267 NCCCCn1ccccc1=O 1P019YM6 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.267 NCCCNc1ccccc1F 1P01A77W [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.267 NCCCOc1ccccc1C 1P003IHS [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.267 NCCCOc1ccccc1F 1P00HB27 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.267 NCCOCc1ccccc1Cl 1P00J1AM [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.267 NCCSCc1ccccc1Cl 1P00C8W5 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.267 NCCSCc1ccccc1F 1P00J8L6 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.267 NNCCOc1ccccc1C 1P005UHH [0,2,0,0,0,0|1,0,0]=3 3292 B12R1.267 O=C=NCCc1ccccc1Cl 1P01AJYH [0,2,0,0,0,0|0,0,2]=4 3293 B12R1.267 O=C=NCCc1ccccc1F 1P003HSR [0,2,0,0,0,0|0,0,2]=4 3294 B12R1.267 O=CCCCc1ccccc1Br 1P01RCJ6 [0,2,0,0,0,0|1,0,1]=4 3295 B12R1.267 OCCCCc1ccccc1Br 1P00HHNP [0,2,0,0,0,0|1,0,0]=3 3296 B12R1.267 OCCCNc1ccccc1N 1P01A9LS [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.267 OCCCOc1ccccc1Br 1P01AIZG [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.267 OCCCOc1ccccc1Cl 1P019XLD [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.267 OCCNCc1ccccc1Br 1P00I599 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.267 OCCNCc1ccccc1Br 1P027W9J [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.267 OCCNCc1ccccc1Cl 1P00J1KS [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.371 CCC(=O)Cc1ccccc1Br 1P019RG4 [0,2,0,0,0,0|1,0,1]=4 3303 B12R1.371 CCC(=O)Cc1ccccc1C 1P01HPJJ [0,2,0,0,0,0|1,0,1]=4 3304 B12R1.371 CCC(=O)Cc1ccccc1F 1P01EUOT [0,2,0,0,0,0|1,0,1]=4 3305 B12R1.371 CCC(Cc1ccccc1Br)N 1P01A0A9 [0,2,0,0,0,0|1,0,0]=3 3306 B12R1.371 CCC(Oc1ccccc1N)C 1P00DDQ2 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.371 CNC(=O)Cc1ccccc1Cl 1P00IKSY [0,2,0,0,0,0|0,0,1]=3 3308 B12R1.371 CNC(=O)Cc1ccccc1N 1P00C8RJ [0,2,0,0,0,0|0,0,1]=3 3309 B12R1.371 CNC(Cc1ccccc1C)C 1P01BFBU [0,2,0,0,0,0|0,0,0]=2 3310 B12R1.371 CNC(Cc1ccccc1F)C 1P00AQR6 [0,2,0,0,0,0|0,0,0]=2 3311 B12R1.371 COC(=O)Cc1ccccc1Br 1P00EBRK [0,2,0,0,0,0|1,0,1]=4 3312 B12R1.371 COC(=O)Cc1ccccc1C 1P003SIA [0,2,0,0,0,0|1,0,1]=4 3313 B12R1.371 COC(=O)Cc1ccccc1Cl 1P003S4A [0,2,0,0,0,0|1,0,1]=4 3314 B12R1.371 COC(=O)Cc1ccccc1F 1P00393Q [0,2,0,0,0,0|1,0,1]=4 3315 B12R1.371 COC(=O)Cc1ccccc1I 1P00IC25 [0,2,0,0,0,0|1,0,1]=4 3316 B12R1.371 COC(=O)Cc1ccccc1N 1P00C63Y [0,2,0,0,0,0|1,0,1]=4 3317 B12R1.371 COC(=O)Cc1ccccc1N 1P00DG0W [0,2,0,0,0,0|1,0,1]=4 3318 B12R1.371 COC(=O)Cc1ccccc1O 1P0037ZQ [0,2,0,0,0,0|1,0,1]=4 3319 B12R1.371 NCC(Cc1ccccc1Br)O 1P027N7B [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.371 NCC(Cc1ccccc1C)O 1P01AM13 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.371 NNC(=O)Cc1ccccc1C 1P00JDOV [0,2,0,0,0,0|1,0,1]=4 3322 B12R1.371 NNC(=O)Cc1ccccc1Cl 1P00BCNA [0,2,0,0,0,0|1,0,1]=4 3323 B12R1.371 NNC(=O)Cc1ccccc1F 1P0097A6 [0,2,0,0,0,0|1,0,1]=4 3324 B12R1.371 NNC(=O)Cc1ccccc1O 1P01B60T [0,2,0,0,0,0|1,0,1]=4 3325 B12R1.371 O=CC(Cc1ccccc1Cl)Cl 1P01BY6U [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.371 OCC(Cc1ccccc1Br)N 1P01JKRL [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.371 OCC(Cc1ccccc1C)N 1P00CNDK [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.371 OCC(Cc1ccccc1Cl)N 1P00CM2K [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.371 OCC(Cc1ccccc1Cl)N 1P028B27 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.371 OCC(Cc1ccccc1F)N 1P002022 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.371 OC[C@H](Cc1ccccc1C)N 1P01JM47 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.371 OC[C@H](Cc1ccccc1Cl)N 1P0096P7 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.371 OC[C@H](Cc1ccccc1F)N 1P00ASQ3 [0,2,0,0,0,0|2,0,0]=4 3334 B12R1.371 ONC(=N)Cc1ccccc1Br 1P00IGDR [0,2,0,0,0,0|1,0,1]=4 3335 B12R1.371 ONC(=N)Cc1ccccc1C 1P00D7H0 [0,2,0,0,0,0|1,0,1]=4 3336 B12R1.371 ONC(=O)Cc1ccccc1C 1P019XJJ [0,2,0,0,0,0|1,0,1]=4 3337 B12R1.371 ONC(=O)Cc1ccccc1Cl 1P019XEQ [0,2,0,0,0,0|1,0,1]=4 3338 B12R1.374 BrCCCc1cc(Br)ccc1I 1P027U58 [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.374 CCCCc1cc(O)ccc1N 1P01BEFA [0,2,0,0,0,0|1,0,0]=3 3340 B12R1.374 CCCNc1cc(F)ccc1N 1P01A9AU [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.374 CCCOc1cc(C)ccc1N 1P00EIAA [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.374 CCCOc1cc(Cl)ccc1Br 1P00I34W [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.374 CCCOc1cc(F)ccc1Br 1P00DKWM [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.374 CCCOc1cc(F)ccc1N 1P00IJHH [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.374 CCCOc1cc(O)ccc1N 1P01BEK7 [0,2,0,0,0,0|2,0,0]=4 3346 B12R1.374 CCNCc1cc(Br)ccc1F 1P01A8Y8 [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.374 CCNCc1cc(Br)ccc1O 1P003LCR [0,2,0,0,0,0|2,0,0]=4 3348 B12R1.374 CCNCc1cc(Cl)ccc1O 1P0005IL [0,2,0,0,0,0|2,0,0]=4 3349 B12R1.374 CCNCc1cc(F)ccc1O 1P00123A [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.374 COCCc1cc(O)ccc1N 1P01BF3N [0,2,0,0,0,0|1,0,0]=3 3351 B12R1.374 COCCn1cc(N)ccc1=O 1P01A7LO [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.374 COCOc1cc(Br)ccc1Cl 1P01BVS2 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.374 COCOc1cc(F)ccc1Br 1P001TEA [0,2,0,0,0,0|2,0,0]=4 3354 B12R1.374 COCOc1cc(F)ccc1F 1P0058GO [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.374 Nc1ccc(cc1CCCO)N 1P027X6D [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.374 OCCCc1cc(Br)ccc1F 1P01XBRP [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.1631 CCCOc1c(C)cccc1N 1P006ZB1 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.1631 CCCOc1c(F)cccc1Cl 1P024H8D [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.1631 CCCOc1c(N)cccc1Cl 1P00J27T [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.1631 CCCOc1c(N)cccc1F 1P01O3IT [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.1631 CCCSc1c(Cl)cccc1Cl 1P01EUVY [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.1631 CCNCc1c(F)cccc1Cl 1P00EDJQ [0,2,0,0,0,0|2,0,0]=4 3363 B12R1.1631 CCNCc1c(F)cccc1F 1P01A9JW [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.1631 CNCCc1c(Cl)cccc1Cl 1P027WTO [0,2,0,0,0,0|0,0,0]=2 3365 B12R1.1631 N#CCCc1c(Cl)cccc1Cl 1P01AI08 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.1631 N#CCCc1c(F)cccc1Cl 1P01BIV7 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.1631 NCCCc1c(C)cccc1Cl 1P01AG51 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.1631 NCCCc1c(Cl)cccc1Cl 1P00267W [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.1631 O=CCCc1c(Cl)cccc1Cl 1P0098TF [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.1631 O=CCCc1c(F)cccc1Cl 1P004SII [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.1631 OCCCc1c(Cl)cccc1Cl 1P001DT8 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.1631 OCCCc1c(F)cccc1Br 1P01JKG5 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.1631 OCCCc1c(F)cccc1Cl 1P008FGA [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.1631 OCCCc1c(F)cccc1F 1P00CAXK [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.28 BrCCCCc1cccc(c1)Br 1P01JMO8 [0,2,0,0,0,0|1,0,0]=3 3376 B12R1.28 BrCCCCc1cccc(c1)C 1P01JMO0 [0,2,0,0,0,0|1,0,0]=3 3377 B12R1.28 BrCCCCc1cccc(c1)Cl 1P01B7XZ [0,2,0,0,0,0|1,0,0]=3 3378 B12R1.28 BrCCCCc1cccc(c1)F 1P01JMLO [0,2,0,0,0,0|1,0,0]=3 3379 B12R1.28 BrCCCOc1cccc(c1)C 1P00IBKL [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.28 BrCCCOc1cccc(c1)Cl 1P00BYV4 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.28 BrCCCOc1cccc(c1)I 1P019XQ8 [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.28 C#CCCCc1cccc(c1)Br 1P028P8N [0,2,0,0,0,0|1,0,1]=4 3383 B12R1.28 C=CCCOc1cccc(c1)N 1P01ACQR [0,2,0,0,0,0|1,0,1]=4 3384 B12R1.28 C=CCNCc1cccc(c1)Br 1P00J4K9 [0,2,0,0,0,0|1,0,1]=4 3385 B12R1.28 C=CCNCc1cccc(c1)F 1P00JU2B [0,2,0,0,0,0|1,0,1]=4 3386 B12R1.28 CCCCCc1cccc(=O)o1 1P002UMS [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.28 CCCCCc1cccc(c1)F 1P002W83 [0,2,0,0,0,0|1,0,0]=3 3388 B12R1.28 CCCCCc1cccc(c1)O 1P002DAK [0,2,0,0,0,0|1,0,0]=3 3389 B12R1.28 CCCCCc1ccnc(c1)N 1P01EX3G [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.28 CCCCNc1cccc(c1)I 1P01AHBW [0,2,0,0,0,0|1,0,0]=3 3391 B12R1.28 CCCCOc1cc(N)ccn1 1P00IEPP [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.28 CCCCOc1cccc(c1)N 1P002MLL [0,2,0,0,0,0|1,0,0]=3 3393 B12R1.28 CCCCOc1cccc(c1)N 1P019X8H [0,2,0,0,0,0|1,0,0]=3 3394 B12R1.28 CCCCOc1cccc(c1)O 1P002EFR [0,2,0,0,0,0|1,0,0]=3 3395 B12R1.28 CCCCSc1cccc(c1)Br 1P00HYTO [0,2,0,0,0,0|1,0,0]=3 3396 B12R1.28 CCCNCc1cccc(c1)Br 1P00J4JG [0,2,0,0,0,0|1,0,0]=3 3397 B12R1.28 CCCNCc1cccc(c1)Cl 1P00C90B [0,2,0,0,0,0|1,0,0]=3 3398 B12R1.28 CCCNCc1cccc(c1)Cl 1P00J4HV [0,2,0,0,0,0|1,0,0]=3 3399 B12R1.28 CNCCCc1cccc(c1)Cl 1P01S7LU [0,2,0,0,0,0|0,0,0]=2 3400 B12R1.28 CNCCNc1cccc(c1)Cl 1P01E38R [0,2,0,0,0,0|0,0,0]=2 3401 B12R1.28 CNCCOc1cccc(c1)Br 1P0002XX [0,2,0,0,0,0|0,0,0]=2 3402 B12R1.28 CNCCOc1cccc(c1)C 1P0091BG [0,2,0,0,0,0|0,0,0]=2 3403 B12R1.28 CNCCOc1cccc(c1)C 1P00BIY3 [0,2,0,0,0,0|0,0,0]=2 3404 B12R1.28 CNCCOc1cccc(c1)Cl 1P0007MR [0,2,0,0,0,0|0,0,0]=2 3405 B12R1.28 CNCCOc1cccc(c1)F 1P019VXF [0,2,0,0,0,0|0,0,0]=2 3406 B12R1.28 COCCNc1cccc(c1)Cl 1P01C0KS [0,2,0,0,0,0|1,0,0]=3 3407 B12R1.28 COCCNc1cccc(n1)Br 1P01A6OC [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.28 COCCOc1cc(Br)ccn1 1P000YZ4 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.28 COCCOc1cc(N)ccn1 1P00H60D [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.28 COCCOc1cccc(c1)Br 1P00I4XQ [0,2,0,0,0,0|1,0,0]=3 3411 B12R1.28 COCCOc1cccc(c1)I 1P01JMNQ [0,2,0,0,0,0|1,0,0]=3 3412 B12R1.28 COCCOc1cccc(c1)N 1P007W7H [0,2,0,0,0,0|1,0,0]=3 3413 B12R1.28 COCCOc1cccc(c1)N 1P00J1ID [0,2,0,0,0,0|1,0,0]=3 3414 B12R1.28 COCCOc1cccc(c1)O 1P00I569 [0,2,0,0,0,0|1,0,0]=3 3415 B12R1.28 COCCOc1cccc(n1)Br 1P01AGNJ [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.28 COCCOc1cncc(c1)Br 1P00AOPG [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.28 N#CCCNc1cccc(c1)C 1P002UPN [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.28 N#CCCNc1cccc(c1)Cl 1P00DHMP [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.28 N#CCCOc1cccc(c1)C 1P007OBH [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.28 NCCCCc1cccc(c1)Cl 1P01JMGB [0,2,0,0,0,0|1,0,0]=3 3421 B12R1.28 NCCCCc1cccc(c1)F 1P01JMFH [0,2,0,0,0,0|1,0,0]=3 3422 B12R1.28 NCCCCc1ccnc(c1)N 1P01EKI9 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.28 NCCCNc1cccc(c1)F 1P01A77U [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.28 NCCCOc1cccc(c1)C 1P00HB28 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.28 NCCCOc1cccc(c1)Cl 1P000DNJ [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.28 NCCCOc1cccc(c1)F 1P000DNK [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.28 NCCCOc1cccc(c1)F 1P01EIN4 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.28 NCCOCc1cccc(c1)Cl 1P01A2WX [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.28 NCCSCc1cccc(c1)Cl 1P0083WT [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.28 O=C=NCCc1cccc(c1)Cl 1P003JRQ [0,2,0,0,0,0|0,0,2]=4 3431 B12R1.28 O=CCCOc1cccc(c1)I 1P01ACTA [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.28 OCCCCc1cccc(c1)Br 1P01A00E [0,2,0,0,0,0|1,0,0]=3 3433 B12R1.28 OCCCCc1cccc(c1)Cl 1P01B7CS [0,2,0,0,0,0|1,0,0]=3 3434 B12R1.28 OCCCOc1cccc(c1)Br 1P01AIZM [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.28 OCCCOc1cccc(c1)F 1P00HT99 [0,2,0,0,0,0|2,0,0]=4 3436 B12R1.28 OCCCOc1cccc(c1)I 1P01A7GC [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.28 OCCNCc1cccc(c1)Br 1P01BE8Z [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.28 OCCNCc1cccc(c1)C 1P01BE33 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.28 OCCNCc1cccc(c1)Cl 1P00F7Q2 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.28 OCCNCc1cccc(c1)Cl 1P01BE34 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.28 OCCNCc1cccc(c1)F 1P01BECN [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.28 OCCNCc1cccc(c1)F 1P01BECO [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.28 OCCOCc1cccc(c1)F 1P01C5OJ [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.28 OCCSCc1cccc(c1)C 1P00H6OI [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.28 OCCSCc1cccc(c1)F 1P004UVL [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.50 C#CC(Cc1cccc(c1)F)N 1P01FI1L [0,2,0,0,0,0|1,0,1]=4 3447 B12R1.50 CCC(=O)Cc1cccc(c1)C 1P01JMHJ [0,2,0,0,0,0|1,0,1]=4 3448 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1P01DUPB [0,2,0,0,0,0|1,0,1]=4 3449 B12R1.50 CCC(=O)Cc1cccc(c1)F 1P01EX3C [0,2,0,0,0,0|1,0,1]=4 3450 B12R1.50 CCC(Oc1cccc(c1)N)C 1P00FA91 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.50 CCC(Oc1cccc(c1)N)C 1P01AMF2 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.50 CNC(=O)Cc1cccc(c1)N 1P00EEFC [0,2,0,0,0,0|0,0,1]=3 3453 B12R1.50 CNC(=O)Cc1cccc(c1)O 1P01AD44 [0,2,0,0,0,0|0,0,1]=3 3454 B12R1.50 CNC(=O)Nc1cccc(c1)N 1P019L96 [0,2,0,0,0,0|1,0,1]=4 3455 B12R1.50 CNC(=O)Oc1cccc(c1)N 1P01AM02 [0,2,0,0,0,0|1,0,1]=4 3456 B12R1.50 CNC(=O)Oc1cccc(c1)O 1P002FZI [0,2,0,0,0,0|1,0,1]=4 3457 B12R1.50 COC(=O)Cc1cccc(c1)Br 1P001N5E [0,2,0,0,0,0|1,0,1]=4 3458 B12R1.50 COC(=O)Cc1cccc(c1)C 1P00DDQC [0,2,0,0,0,0|1,0,1]=4 3459 B12R1.50 COC(=O)Cc1cccc(c1)Cl 1P003S8I [0,2,0,0,0,0|1,0,1]=4 3460 B12R1.50 COC(=O)Cc1cccc(c1)F 1P003BEE [0,2,0,0,0,0|1,0,1]=4 3461 B12R1.50 COC(=O)Cc1cccc(c1)I 1P00I9GC [0,2,0,0,0,0|1,0,1]=4 3462 B12R1.50 COC(=O)Cc1cccc(c1)N 1P001MZJ [0,2,0,0,0,0|1,0,1]=4 3463 B12R1.50 COC(=O)Cc1cccc(c1)N 1P00394T [0,2,0,0,0,0|1,0,1]=4 3464 B12R1.50 COC(=O)Cc1cccc(c1)O 1P003S1J [0,2,0,0,0,0|1,0,1]=4 3465 B12R1.50 N#CC(Cc1cccc(c1)Br)F 1P0286B8 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.50 NCC(Cc1cccc(c1)Br)O 1P0285C3 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.50 NCC(Cc1cccc(c1)C)O 1P01BK54 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.50 NCC(Cc1cccc(c1)Cl)O 1P01BAEN [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.50 NCC(Cc1cccc(c1)F)O 1P01AMEE [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.50 NCC(Cc1cccc(c1)O)O 1P028VA8 [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.50 NNC(=N)Cc1cccc(c1)Br 1P01A6W3 [0,2,0,0,0,0|1,0,1]=4 3472 B12R1.50 NNC(=O)Cc1cccc(c1)Cl 1P00FAOR [0,2,0,0,0,0|1,0,1]=4 3473 B12R1.50 NNC(=O)Cc1cccc(c1)F 1P00IVB3 [0,2,0,0,0,0|1,0,1]=4 3474 B12R1.50 NNC(=O)Cc1cccc(c1)O 1P01JTZ0 [0,2,0,0,0,0|1,0,1]=4 3475 B12R1.50 OCC(Cc1cccc(c1)Br)N 1P01JKRR [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.50 OCC(Cc1cccc(c1)C)N 1P00CNDL [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.50 OCC(Cc1cccc(c1)C)N 1P01B1TC [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.50 OCC(Cc1cccc(c1)Cl)N 1P00CM2L [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.50 OCC(Cc1cccc(c1)F)N 1P00CMWB [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.50 OCC(Cc1cccc(c1)N)F 1P0283J3 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.50 OC[C@@H](Cc1cccc(c1)F)N 1P00GAOU [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.50 OC[C@H](Cc1cccc(c1)F)N 1P01JKYV [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.50 ONC(=N)Cc1cccc(c1)Cl 1P019F80 [0,2,0,0,0,0|1,0,1]=4 3484 B12R1.50 ONC(=N)Cc1cccc(c1)F 1P00IEWL [0,2,0,0,0,0|1,0,1]=4 3485 B12R1.50 ONC(=O)Cc1cccc(c1)F 1P019XAV [0,2,0,0,0,0|1,0,1]=4 3486 B12R1.100 BrCCCc1cc(F)cc(c1)F 1P01BLET [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.100 CCCCc1cc(F)cc(c1)F 1P000MU1 [0,2,0,0,0,0|1,0,0]=3 3488 B12R1.100 CCCCc1cc(O)cc(c1)O 1P006XWE [0,2,0,0,0,0|1,0,0]=3 3489 B12R1.100 CCCOc1cc(Cl)cc(c1)Br 1P00I30A [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.100 COCCc1cc(Br)cc(c1)Br 1P0285VV [0,2,0,0,0,0|1,0,0]=3 3491 B12R1.100 COCOc1cc(Br)cc(c1)Br 1P01K5RY [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.100 COCOc1cc(F)cc(c1)Br 1P01AV8E [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.100 NCCCc1cc(C)cc(c1)C 1P01G056 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.100 NCCCc1cc(Cl)cc(c1)Cl 1P027ULS [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.100 NCCCc1cc(F)cc(c1)F 1P009TCF [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.100 NCCCc1cc(O)cc(c1)Br 1P028CTJ [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.100 OCCCc1cc(Cl)cc(c1)Cl 1P01FFKP [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.226 CC(=C)COc1cccc(c1)Br 1P01EMHA [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.226 CC(=C)COc1cccc(c1)N 1P0082V8 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.226 CC(=C)COc1cccc(c1)N 1P0090ZE [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.226 CC(=CCc1cccc(c1)O)C 1P01B6LC [0,2,0,0,0,0|1,0,1]=4 3502 B12R1.226 CC(=O)CCc1cccc(c1)Br 1P00BZYR [0,2,0,0,0,0|1,0,0]=3 3503 B12R1.226 CC(=O)CCc1cccc(c1)C 1P019X4A [0,2,0,0,0,0|1,0,0]=3 3504 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1P007GH3 [0,2,0,0,0,0|1,0,0]=3 3505 B12R1.226 CC(=O)CCc1cccc(c1)F 1P00C98G [0,2,0,0,0,0|1,0,0]=3 3506 B12R1.226 CC(=O)NCc1cccc(c1)Br 1P00C6B3 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.226 CC(=O)NCc1cccc(c1)F 1P009811 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.226 CC(=O)NCc1cccc(c1)N 1P028Q3L [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.226 CC(=O)OCc1cccc(c1)F 1P0202B9 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.226 CC(CCc1cccc(c1)F)N 1P01AJAJ [0,2,0,0,0,0|1,0,0]=3 3511 B12R1.226 CC(CCc1cccc(c1)N)C 1P01BWBA [0,2,0,0,0,0|1,0,0]=3 3512 B12R1.226 CC(CNc1cccc(c1)Cl)C 1P01C23X [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.226 CC(CNc1cccc(c1)O)C 1P01AKUZ [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.226 CC(COc1cccc(c1)Br)C 1P00I4VB [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.226 CC(COc1cccc(c1)C)N 1P019X8G [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.226 CC(COc1cccc(c1)C)O 1P003DE7 [0,2,0,0,0,0|2,0,0]=4 3517 B12R1.226 CC(COc1cccc(c1)Cl)N 1P01ATH0 [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.226 CC(COc1cccc(c1)F)N 1P019X24 [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.226 CC(COc1cccc(c1)F)O 1P01AHN2 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.226 CC(COc1cccc(c1)N)C 1P0079Z6 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.226 CC(COc1cccc(c1)O)C 1P00H5KP [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.226 CC(NCc1cccc(c1)Br)C 1P009UD0 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.226 CC(NCc1cccc(c1)C)C 1P006H00 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.226 CC(NCc1cccc(c1)C)C 1P00J20C [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.226 CC(NCc1cccc(c1)Cl)C 1P006R3Z [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.226 CC(NCc1cccc(c1)F)C 1P006R40 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.226 CC(OCc1cccc(c1)Br)C 1P009YXT [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.226 CC(OCc1cccc(c1)N)C 1P00VUZP [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.226 CC(SCc1cccc(c1)N)C 1P01AL5N [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.226 CN(CCc1cccc(c1)Br)C 1P00G8UW [0,2,0,0,0,0|0,0,0]=2 3531 B12R1.226 CN(CCc1cccc(c1)N)C 1P02497N [0,2,0,0,0,0|0,0,0]=2 3532 B12R1.226 NC(=O)CCc1cccc(c1)Br 1P00ELSV [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.226 NC(=S)CCc1cccc(c1)Cl 1P0292N4 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.226 OC(=O)CCc1cccc(c1)Br 1P003IIS [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.226 OC(=O)CCc1cccc(c1)C 1P00C6WI [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.226 OC(=O)CCc1cccc(c1)Cl 1P0039CK [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.226 OC(=O)CCc1cccc(c1)F 1P003BQS [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.226 OC(=O)CCc1cccc(c1)I 1P0038YH [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.226 OC(=O)CCc1cccc(c1)N 1P001X6K [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.226 OC(=O)CCc1cccc(c1)N 1P008VYA [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.226 OC(=O)CCc1cccc(c1)O 1P0033X1 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.382 BrCCCc1cccc(c1)OC 1P01AKGK [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.382 C#CCCc1cccc(c1)C#N 1P01JX86 [0,2,0,0,0,0|1,0,1]=4 3544 B12R1.382 C#CCCc1cccc(c1)OC 1P024V7W [0,2,0,0,0,0|1,0,1]=4 3545 B12R1.382 CCCOc1cccc(c1)C#C 1P01BVGJ [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.382 CCCOc1cccc(c1)C#N 1P019XBQ [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.382 CCCOc1cccc(c1)C=O 1P005R2A [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.382 CCCOc1cccc(c1)CBr 1P00H42R [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.382 CCCOc1cccc(c1)CN 1P00C8YL [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.382 CCCOc1cccc(c1)CN 1P00J29M [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.382 CCCOc1cccc(c1)CO 1P005R29 [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.382 CCCSc1cccc(c1)CCl 1P02877Y [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.382 CCCSc1cccc(c1)CO 1P01FFRU [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.382 CCNCc1cccc(c1)OC 1P001D6Y [0,2,0,0,0,0|2,0,0]=4 3555 B12R1.382 CCOCc1cccc(c1)CN 1P019WWS [0,2,0,0,0,0|2,0,0]=4 3556 B12R1.382 CNCCc1cccc(c1)C#N 1P01BS4K [0,2,0,0,0,0|0,0,0]=2 3557 B12R1.382 CNCCc1cccc(c1)OC 1P007FEZ [0,2,0,0,0,0|0,0,0]=2 3558 B12R1.382 CNCCc1ccnc(c1)OC 1P01BW1I [0,2,0,0,0,0|1,0,0]=3 3559 B12R1.382 COCOc1cccc(c1)C=O 1P0013BB [0,2,0,0,0,0|2,0,0]=4 3560 B12R1.382 NCCCc1cccc(c1)CC 1P0282C3 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.382 NCCCc1cccc(c1)OC 1P00APQH [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.382 NCCCc1cccc(c1)OC 1P01AAAX [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.382 O=CCCc1cccc(c1)OC 1P00CAW9 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.382 OCCCc1cccc(c1)OC 1P005RMW [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.8 BrCCCCCc1ccccc1 1P001KHB [0,2,0,0,0,0|1,0,0]=3 3566 B12R1.8 BrCCCCOc1ccccc1 1P000QHU [0,2,0,0,0,0|1,0,0]=3 3567 B12R1.8 BrCCCOCc1ccccc1 1P003OKC [0,2,0,0,0,0|1,0,0]=3 3568 B12R1.8 BrCCCSCc1ccccc1 1P004EIO [0,2,0,0,0,0|1,0,0]=3 3569 B12R1.8 C#CCCCSc1ccccc1 1P008LOM [0,2,0,0,0,0|1,0,1]=4 3570 B12R1.8 C#CCCOCc1ccccc1 1P01G7ER [0,2,0,0,0,0|1,0,1]=4 3571 B12R1.8 C#CCNOCc1ccccc1 1P01KX40 [0,2,0,0,0,0|1,0,0]=3 3572 B12R1.8 C=CCCNCc1ccccc1 1P00785Y [0,2,0,0,0,0|1,0,1]=4 3573 B12R1.8 C=CCCOCc1ccccc1 1P0069TJ [0,2,0,0,0,0|1,0,1]=4 3574 B12R1.8 C=CCNCCc1ccccc1 1P00JU2L [0,2,0,0,0,0|0,0,0]=2 3575 B12R1.8 C=CCNCCc1ccccc1 1P00JU2M [0,2,0,0,0,0|0,0,0]=2 3576 B12R1.8 CCCCC#Cc1ccccc1 1P003F2E [0,2,0,0,0,0|1,0,0]=3 3577 B12R1.8 CCCCC=Cc1ccccc1 1P001RCL [0,2,0,0,0,0|1,0,0]=3 3578 B12R1.8 CCCCCC[n+]1ccccc1 1P003728 [0,2,0,0,0,0|2,0,0]=4 3579 B12R1.8 CCCCCC[n+]1ccccc1 1P005HU5 [0,2,0,0,0,0|2,0,0]=4 3580 B12R1.8 CCCCCC[n+]1ccccc1 1P00DCGB [0,2,0,0,0,0|2,0,0]=4 3581 B12R1.8 CCCCCC[n+]1ccccc1 1P00EA3L [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.8 CCCCCC[n+]1ccccc1 1P00EA3N [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.8 CCCCCCc1ccccc1 1P003RE5 [0,2,0,0,0,0|1,0,0]=3 3584 B12R1.8 CCCCCCc1ccccn1 1P003HTW [0,2,0,0,0,0|2,0,0]=4 3585 B12R1.8 CCCCCCc1ccncc1 1P00BJCR [0,2,0,0,0,0|2,0,0]=4 3586 B12R1.8 CCCCCNc1ccccc1 1P002U4M [0,2,0,0,0,0|1,0,0]=3 3587 B12R1.8 CCCCCOc1ccccc1 1P00BVIQ [0,2,0,0,0,0|1,0,0]=3 3588 B12R1.8 CCCCCSc1ccccc1 1P007S00 [0,2,0,0,0,0|1,0,0]=3 3589 B12R1.8 CCCCNCc1ccccc1 1P003T8S [0,2,0,0,0,0|1,0,0]=3 3590 B12R1.8 CCCCNCc1cccnc1 1P00J4E8 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.8 CCCCNCc1ccncc1 1P00J4KT [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.8 CCCC\N=C\c1ccccc1 1P008YZL [0,2,0,0,0,0|1,0,0]=3 3593 B12R1.8 CCCNCCc1ccccc1 1P00BF9Y [0,2,0,0,0,0|0,0,0]=2 3594 B12R1.8 CCCNCCc1ccccn1 1P003SQQ [0,2,0,0,0,0|1,0,0]=3 3595 B12R1.8 CCCNOCc1ccccc1 1P028IDR [0,2,0,0,0,0|1,0,0]=3 3596 B12R1.8 CCNCCCc1ccccc1 1P009K28 [0,2,0,0,0,0|0,0,0]=2 3597 B12R1.8 CCNCCOc1ccccc1 1P006PVR [0,2,0,0,0,0|0,0,0]=2 3598 B12R1.8 CCNC\C=C\c1ccccc1 1P00J4EZ [0,2,0,0,0,0|0,0,1]=3 3599 B12R1.8 CCOCCNc1ccccc1 1P02900G [0,2,0,0,0,0|1,0,0]=3 3600 B12R1.8 CCOCCSc1ccccn1 1P01FF28 [0,2,0,0,0,0|2,0,0]=4 3601 B12R1.8 CNCCCCc1ccccc1 1P00B8FJ [0,2,0,0,0,0|0,0,0]=2 3602 B12R1.8 CNCCCCc1ccccc1 1P00D6N4 [0,2,0,0,0,0|0,0,0]=2 3603 B12R1.8 CNCCCNc1ccccc1 1P01A8EZ [0,2,0,0,0,0|0,0,0]=2 3604 B12R1.8 CNCCCOc1ccccc1 1P001156 [0,2,0,0,0,0|0,0,0]=2 3605 B12R1.8 CNCCCSc1ccccc1 1P00J4FT [0,2,0,0,0,0|0,0,0]=2 3606 B12R1.8 CNCCNCc1ccccc1 1P00EA7F [0,2,0,0,0,0|0,0,0]=2 3607 B12R1.8 CNCCNCc1ccccc1 1P028WW3 [0,2,0,0,0,0|0,0,0]=2 3608 B12R1.8 CNCCOCc1ccccc1 1P005XT2 [0,2,0,0,0,0|0,0,0]=2 3609 B12R1.8 CNCCOCc1ccccc1 1P00FXY6 [0,2,0,0,0,0|0,0,0]=2 3610 B12R1.8 COCCNCc1ccccc1 1P00DL1O [0,2,0,0,0,0|1,0,0]=3 3611 B12R1.8 COCCNCc1ccccc1 1P01EJJB [0,2,0,0,0,0|1,0,0]=3 3612 B12R1.8 COCCNCc1ccccn1 1P00ECIZ [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.8 COCCNCc1ccccn1 1P00J4FU [0,2,0,0,0,0|2,0,0]=4 3614 B12R1.8 COCCNCc1cccnc1 1P0081AT [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.8 CSCCCNc1cccnc1 1P01BVOK [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.8 ClCCCCCc1ccccc1 1P001PVB [0,2,0,0,0,0|1,0,0]=3 3617 B12R1.8 ClCCCCOc1ccccc1 1P002TZC [0,2,0,0,0,0|1,0,0]=3 3618 B12R1.8 ClCCCNCc1ccncc1 1P019U2Y [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.8 ClCCCOCc1ccccc1 1P002TLA [0,2,0,0,0,0|1,0,0]=3 3620 B12R1.8 N#CCCC=Cc1ccccc1 1P028WS5 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.8 N#CCCNCc1ccccc1 1P003IN2 [0,2,0,0,0,0|1,0,1]=4 3622 B12R1.8 N#CCCOCc1ccccc1 1P00IBNF [0,2,0,0,0,0|1,0,1]=4 3623 B12R1.8 NCCCCCc1ccccc1 1P0025Q4 [0,2,0,0,0,0|1,0,0]=3 3624 B12R1.8 NCCCCCc1ccccc1 1P0289DF [0,2,0,0,0,0|1,0,0]=3 3625 B12R1.8 NCCCCNc1ccccc1 1P024VNT [0,2,0,0,0,0|1,0,0]=3 3626 B12R1.8 NCCCCNc1ccccn1 1P00H2Q5 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.8 NCCCCOc1ccccc1 1P001XQ8 [0,2,0,0,0,0|1,0,0]=3 3628 B12R1.8 NCCCCOc1ccccc1 1P00IBRX [0,2,0,0,0,0|1,0,0]=3 3629 B12R1.8 NCCCNCc1ccccc1 1P001AQL [0,2,0,0,0,0|1,0,0]=3 3630 B12R1.8 NCCCOCc1ccccc1 1P001XQ9 [0,2,0,0,0,0|1,0,0]=3 3631 B12R1.8 NCCNOCc1ccccc1 1P01DTSG [0,2,0,0,0,0|1,0,0]=3 3632 B12R1.8 NCCOCCc1ccccc1 1P0090YQ [0,2,0,0,0,0|1,0,0]=3 3633 B12R1.8 NNCCCOc1ccccc1 1P01ABBF [0,2,0,0,0,0|1,0,0]=3 3634 B12R1.8 NNCCOCc1ccccc1 1P01BVVI [0,2,0,0,0,0|1,0,0]=3 3635 B12R1.8 NOCCOCc1ccccc1 1P001AGY [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.8 O=C=NCCCc1ccccc1 1P003KCL [0,2,0,0,0,0|0,0,2]=4 3637 B12R1.8 O=C=NCCOc1ccccc1 1P01AS0S [0,2,0,0,0,0|0,0,2]=4 3638 B12R1.8 O=CCCCOc1ccccc1 1P002BM4 [0,2,0,0,0,0|1,0,1]=4 3639 B12R1.8 O=CCCOCc1ccccc1 1P002BM5 [0,2,0,0,0,0|1,0,1]=4 3640 B12R1.8 OCC=CCCc1ccccc1 1P028X9L [0,2,0,0,0,0|1,0,0]=3 3641 B12R1.8 OCCCC#Cc1ccccc1 1P002P5M [0,2,0,0,0,0|1,0,1]=4 3642 B12R1.8 OCCCCCc1ccccc1 1P003NF3 [0,2,0,0,0,0|1,0,0]=3 3643 B12R1.8 OCCCCOc1ccccc1 1P007RNF [0,2,0,0,0,0|1,0,0]=3 3644 B12R1.8 OCCCNCc1ccccc1 1P003IN1 [0,2,0,0,0,0|1,0,0]=3 3645 B12R1.8 OCCCNCc1ccccc1 1P00J3Y4 [0,2,0,0,0,0|1,0,0]=3 3646 B12R1.8 OCCCNCc1ccccn1 1P005Y1C [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.8 OCCCNCc1cccnc1 1P005LGY [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.8 OCCCNCc1cccnc1 1P00J4KP [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.8 OCCCNCc1ccncc1 1P0065EX [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.8 OCCCNCc1ccncc1 1P00J4I9 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.8 OCCCNCc1ccncc1 1P028U4F [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.8 OCCCOCc1ccccc1 1P003JFE [0,2,0,0,0,0|1,0,0]=3 3653 B12R1.8 OCCCSCc1ccccc1 1P01AC5V [0,2,0,0,0,0|1,0,0]=3 3654 B12R1.8 OCCC\C=C\c1ccccc1 1P000ZXO [0,2,0,0,0,0|1,0,1]=4 3655 B12R1.8 OCCNCCc1ccccc1 1P00BW7K [0,2,0,0,0,0|0,0,0]=2 3656 B12R1.8 OCCOCCc1ccccc1 1P005HXR [0,2,0,0,0,0|1,0,0]=3 3657 B12R1.8 OCCSCCc1ccccn1 1P00C2L8 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.8 OCCSCCc1ccncc1 1P005P10 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.8 S=C=NCCSc1ccccc1 1P00C74T [0,2,0,0,0,0|0,0,2]=4 3660 B12R1.8 [C-]#[N+]CCOCc1ccccc1 1P0285NV [0,2,0,0,0,0|0,0,2]=4 3661 B12R1.8 [N-]=[N+]=NCCCc1ccccc1 1P019U5R [0,2,0,0,0,0|1,0,1]=4 3662 B12R1.27 BrCC(=O)CCc1ccccc1 1P003ELT [0,2,0,0,0,0|1,0,0]=3 3663 B12R1.27 BrCC(=O)COc1ccccc1 1P01A1CA [0,2,0,0,0,0|2,0,0]=4 3664 B12R1.27 BrCC(=O)NCc1ccccc1 1P00C2NQ [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.27 BrCC(=O)OCc1ccccc1 1P003OK7 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.27 BrCC(OCc1ccccc1)C 1P027K7W [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.27 C#CC(=O)CCc1ccccc1 1P01BEL7 [0,2,0,0,0,0|1,0,1]=4 3668 B12R1.27 CCC(=O)CCc1ccccc1 1P002JUD [0,2,0,0,0,0|1,0,0]=3 3669 B12R1.27 CCC(=O)OCc1ccccc1 1P0016ZO [0,2,0,0,0,0|1,0,1]=4 3670 B12R1.27 CCC(CCc1ccccc1)N 1P00EOLQ [0,2,0,0,0,0|1,0,0]=3 3671 B12R1.27 CCC(CCc1cccnc1)O 1P01BU2G [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.27 CCC(CNc1ccccc1)N 1P01APH0 [0,2,0,0,0,0|1,0,0]=3 3673 B12R1.27 CCC(CNc1ccccc1)O 1P01A8V7 [0,2,0,0,0,0|1,0,0]=3 3674 B12R1.27 CCC(COc1ccccc1)N 1P00BOHB [0,2,0,0,0,0|1,0,0]=3 3675 B12R1.27 CCC(NCc1ccccc1)C 1P019OAH [0,2,0,0,0,0|1,0,0]=3 3676 B12R1.27 CCC(NCc1ccccn1)C 1P00J4EV [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.27 CCC(NCc1cccnc1)C 1P00J4IE [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.27 CCC(NCc1ccncc1)C 1P00J4G6 [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [0,2,0,0,0,0|0,0,0]=2 3680 B12R1.27 CNC(=O)CSc1ccccc1 1P01C2IN [0,2,0,0,0,0|0,0,1]=3 3681 B12R1.27 CNC(=O)OCc1ccccc1 1P00BG3C [0,2,0,0,0,0|0,0,1]=3 3682 B12R1.27 CNC(CSc1ccccc1)C 1P01C3CH [0,2,0,0,0,0|0,0,0]=2 3683 B12R1.27 CNC(CSc1ccccc1)C 1P01C5OD [0,2,0,0,0,0|0,0,0]=2 3684 B12R1.27 COC(=O)CCc1ccccc1 1P003KCI [0,2,0,0,0,0|1,0,0]=3 3685 B12R1.27 COC(=O)CCc1ccccn1 1P002X42 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.27 COC(=O)CCc1cccnc1 1P003S63 [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.27 COC(=O)CCc1ccncc1 1P00GTYO [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.27 COC(=O)CNc1ccccc1 1P00CCQB [0,2,0,0,0,0|1,0,1]=4 3689 B12R1.27 COC(=O)COc1ccccc1 1P003SIO [0,2,0,0,0,0|1,0,1]=4 3690 B12R1.27 COC(=O)CSc1ccccc1 1P003RZH [0,2,0,0,0,0|1,0,1]=4 3691 B12R1.27 COC(=O)NCc1ccccc1 1P00EDGO [0,2,0,0,0,0|1,0,1]=4 3692 B12R1.27 ClCC(=O)CCc1ccccc1 1P002K5O [0,2,0,0,0,0|1,0,0]=3 3693 B12R1.27 ClCC(=O)COc1ccccc1 1P005WAY [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.27 ClCC(=O)NCc1ccccc1 1P003T7T [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.27 ClCC(=O)OCc1ccccc1 1P001CDL [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.27 FCC(COc1ccccc1)O 1P005I7E [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.27 NCC(=O)CCc1ccccc1 1P028L4B [0,2,0,0,0,0|1,0,0]=3 3698 B12R1.27 NCC(=O)NCc1ccccc1 1P0029W4 [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.27 NCC(=O)NCc1ccccc1 1P00CM9R [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNQ [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNT [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.27 NCC(=O)OCc1ccccc1 1P002P9Z [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.27 NCC(=O)SCc1ccccc1 1P021MDH [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.27 NCC(COc1ccccc1)C 1P027UPS [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.27 NCC(COc1ccccc1)O 1P0071Q2 [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.27 NCC(OCc1ccccc1)C 1P02826G [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.27 NCC(SCc1ccccc1)C 1P01EILD [0,2,0,0,0,0|2,0,0]=4 3708 B12R1.27 NC[C@@H](NCc1ccccc1)C 1P01BE91 [0,2,0,0,0,0|2,0,0]=4 3709 B12R1.27 NNC(=O)CCc1ccccc1 1P00BZPV [0,2,0,0,0,0|1,0,0]=3 3710 B12R1.27 NNC(=O)CCc1cccnc1 1P007HVQ [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.27 NNC(=O)COc1ccccc1 1P00D9BF [0,2,0,0,0,0|1,0,1]=4 3712 B12R1.27 NNC(=O)NCc1ccccc1 1P00AVUU [0,2,0,0,0,0|1,0,1]=4 3713 B12R1.27 NNC(=O)OCc1ccccc1 1P0037SQ [0,2,0,0,0,0|1,0,1]=4 3714 B12R1.27 NNC(=O)OCc1ccccc1 1P00BFD7 [0,2,0,0,0,0|1,0,1]=4 3715 B12R1.27 NNC(=S)NCc1ccccc1 1P003L9I [0,2,0,0,0,0|1,0,1]=4 3716 B12R1.27 NNC(COc1ccccc1)C 1P01BCUE [0,2,0,0,0,0|1,0,0]=3 3717 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [0,2,0,0,0,0|1,0,0]=3 3718 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [0,2,0,0,0,0|0,0,0]=2 3720 B12R1.27 O=NN(CCc1ccccn1)C 1P01X80F [0,2,0,0,0,0|1,0,0]=3 3721 B12R1.27 OCC(=O)NCc1ccccc1 1P00AL9D [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.27 OCC(=O)OCc1ccccc1 1P0030DU [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [0,2,0,0,0,0|1,0,0]=3 3724 B12R1.27 OCC(CCc1ccncc1)N 1P01EMY7 [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.27 OCC(COc1ccccc1)F 1P01ANRU [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.27 OCC(COc1ccccc1)O 1P003KBM [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.27 OC[C@@H](CCc1ccccc1)N 1P01BJI2 [0,2,0,0,0,0|1,0,0]=3 3730 B12R1.27 OC[C@@H](COc1ccccc1)O 1P006YP0 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.27 OC[C@@H](NCc1ccccc1)C 1P006086 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.27 OC[C@H](CCc1ccccc1)N 1P01BJI0 [0,2,0,0,0,0|1,0,0]=3 3734 B12R1.27 OC[C@H](NCc1ccccc1)C 1P005B2X [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.27 ONC(=N)CCc1ccccc1 1P002DYI [0,2,0,0,0,0|1,0,0]=3 3737 B12R1.27 ONC(=O)OCc1ccccc1 1P003OL5 [0,2,0,0,0,0|1,0,1]=4 3738 B12R1.27 SCC(=O)OCc1ccccc1 1P008QDV [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.32 BrCCN(Cc1ccccc1)C 1P01BERH [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.32 C=CCC(Cc1ccccc1)N 1P00COKP [0,2,0,0,0,0|1,0,1]=4 3741 B12R1.32 C=CCC(Cc1ccccc1)O 1P01B84V [0,2,0,0,0,0|1,0,1]=4 3742 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [0,2,0,0,0,0|0,0,2]=4 3743 B12R1.32 CCCC(=O)Cc1ccccc1 1P003F3D [0,2,0,0,0,0|1,0,0]=3 3744 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [0,2,0,0,0,0|1,0,0]=3 3745 B12R1.32 CCCC(Nc1ccccc1)C 1P019XTJ [0,2,0,0,0,0|1,0,0]=3 3746 B12R1.32 CCNC(=O)Nc1ccccc1 1P00E9ZR [0,2,0,0,0,0|1,0,1]=4 3747 B12R1.32 CCNC(=O)Oc1ccccc1 1P0021MK [0,2,0,0,0,0|1,0,1]=4 3748 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [0,2,0,0,0,0|1,0,1]=4 3749 B12R1.32 CN(Cc1ccccc1)CC#C 1P00313U [0,2,0,0,0,0|1,0,1]=4 3750 B12R1.32 CN(Cc1ccccc1)CC#C 1P00DE8W [0,2,0,0,0,0|1,0,1]=4 3751 B12R1.32 CN(Cc1ccccc1)CC#N 1P00HXAU [0,2,0,0,0,0|2,0,0]=4 3752 B12R1.32 CNCC(=Cc1ccccc1)C 1P01BE9U [0,2,0,0,0,0|0,0,1]=3 3753 B12R1.32 CNCC(=O)Nc1ccccc1 1P00EJFP [0,2,0,0,0,0|0,0,1]=3 3754 B12R1.32 CNCC(=O)Nc1ccncc1 1P0284QL [0,2,0,0,0,0|1,0,1]=4 3755 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [0,2,0,0,0,0|0,0,0]=2 3756 B12R1.32 CNCC(Cc1ccccc1)N 1P01AJ49 [0,2,0,0,0,0|0,0,0]=2 3757 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [0,2,0,0,0,0|0,0,0]=2 3758 B12R1.32 COCC(=O)Cc1ccccc1 1P019UAK [0,2,0,0,0,0|1,0,0]=3 3759 B12R1.32 COCC(=O)Nc1ccccc1 1P028IUS [0,2,0,0,0,0|1,0,1]=4 3760 B12R1.32 COCC(=O)Oc1ccccc1 1P001YI1 [0,2,0,0,0,0|1,0,1]=4 3761 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [0,2,0,0,0,0|1,0,0]=3 3762 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [0,2,0,0,0,0|1,0,0]=3 3763 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [0,2,0,0,0,0|1,0,0]=3 3764 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [0,2,0,0,0,0|1,0,0]=3 3765 B12R1.32 ClCCN(Cc1ccccc1)C 1P002NY3 [0,2,0,0,0,0|2,0,0]=4 3766 B12R1.32 N#CCC(=O)Cc1ccccc1 1P002G4U [0,2,0,0,0,0|2,0,0]=4 3767 B12R1.32 NC(Cc1ccccc1)CC#C 1P01BAK1 [0,2,0,0,0,0|1,0,1]=4 3768 B12R1.32 NCCC(Cc1ccccc1)C 1P027WMS [0,2,0,0,0,0|1,0,0]=3 3769 B12R1.32 NCCN(Cc1ccccc1)C 1P0039QI [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.32 NCCS(=O)Cc1ccccc1 1P01AHBF [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.32 OCCC(Cc1ccccc1)N 1P01B8S6 [0,2,0,0,0,0|1,0,0]=3 3772 B12R1.32 OCCN(Cc1ccccc1)C 1P0003XC [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.32 OCNC(=O)Cc1ccccc1 1P00ELVN [0,2,0,0,0,0|0,0,1]=3 3774 B12R1.32 SCCN(Cc1ccccc1)C 1P01BGFN [0,2,0,0,0,0|2,0,0]=4 3775 B12R1.252 BrC(=C)COCc1ccccc1 1P008MC1 [0,2,0,0,0,0|1,0,1]=4 3776 B12R1.252 CC(=C)CNCc1ccccc1 1P00DBDE [0,2,0,0,0,0|1,0,0]=3 3777 B12R1.252 CC(=C)CNCc1ccccc1 1P00J4BM [0,2,0,0,0,0|1,0,0]=3 3778 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [0,2,0,0,0,0|1,0,0]=3 3779 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [0,2,0,0,0,0|1,0,0]=3 3780 B12R1.252 CC(=O)CCCc1cccnc1 1P01C247 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.252 CC(=O)CNCc1ccccc1 1P028IS2 [0,2,0,0,0,0|1,0,0]=3 3782 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [0,2,0,0,0,0|1,0,0]=3 3783 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [0,2,0,0,0,0|0,0,0]=2 3784 B12R1.252 CC(=O)NCCc1ccncc1 1P0063BR [0,2,0,0,0,0|1,0,0]=3 3785 B12R1.252 CC(=O)OCCc1ccccc1 1P003U4N [0,2,0,0,0,0|1,0,0]=3 3786 B12R1.252 CC(CCCc1cccnc1)N 1P01C2VH [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.252 CC(CCCc1cccnc1)O 1P00993S [0,2,0,0,0,0|2,0,0]=4 3788 B12R1.252 CC(CCCc1ccncc1)C 1P006ZMZ [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.252 CC(CCCc1ccncc1)O 1P01FFWJ [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.252 CC(CCOc1ccccc1)Br 1P028JQH [0,2,0,0,0,0|1,0,0]=3 3791 B12R1.252 CC(CCOc1ccccc1)C 1P019PLP [0,2,0,0,0,0|1,0,0]=3 3792 B12R1.252 CC(CCOc1ccccc1)N 1P0293LA [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.252 CC(CCSc1ccccc1)Br 1P019TVW [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.252 CC(CNCc1ccccc1)C 1P00C68I [0,2,0,0,0,0|1,0,0]=3 3795 B12R1.252 CC(CNCc1ccccc1)C 1P00J1WC [0,2,0,0,0,0|1,0,0]=3 3796 B12R1.252 CC(CNCc1ccccc1)O 1P003DIQ [0,2,0,0,0,0|1,0,0]=3 3797 B12R1.252 CC(CNCc1ccccn1)C 1P00427Z [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.252 CC(CNCc1cccnc1)C 1P00J3Z1 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.252 CC(CNCc1ccncc1)C 1P00J4FX [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.252 CC(COCc1ccccc1)Br 1P0281VF [0,2,0,0,0,0|1,0,0]=3 3801 B12R1.252 CC(COCc1ccccc1)N 1P00HDBY [0,2,0,0,0,0|1,0,0]=3 3802 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [0,2,0,0,0,0|1,0,0]=3 3803 B12R1.252 CC(CSCc1ccccc1)N 1P01EIPM [0,2,0,0,0,0|1,0,0]=3 3804 B12R1.252 CC(NCCc1ccccc1)C 1P00CKHN [0,2,0,0,0,0|0,0,0]=2 3805 B12R1.252 CC(NCCc1ccccc1)C 1P00DBBY [0,2,0,0,0,0|0,0,0]=2 3806 B12R1.252 CC(OCCc1ccccn1)C 1P005H4T [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.252 CN(CCCc1ccccc1)C 1P007R8A [0,2,0,0,0,0|0,0,0]=2 3808 B12R1.252 CN(CCNc1ccccc1)C 1P00FVF1 [0,2,0,0,0,0|0,0,0]=2 3809 B12R1.252 CN(CCNc1ccccn1)C 1P00CCZO [0,2,0,0,0,0|1,0,0]=3 3810 B12R1.252 CN(CCOc1ccccc1)C 1P0080C8 [0,2,0,0,0,0|0,0,0]=2 3811 B12R1.252 C[C@@H](CCOc1ccccc1)N 1P0293Q3 [0,2,0,0,0,0|1,0,0]=3 3812 B12R1.252 C[C@@H](COCc1ccccc1)N 1P01AFQZ [0,2,0,0,0,0|1,0,0]=3 3813 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [0,2,0,0,0,0|1,0,0]=3 3814 B12R1.252 C[C@H](CCOc1ccccc1)N 1P027TZ6 [0,2,0,0,0,0|1,0,0]=3 3815 B12R1.252 C[C@H](CNCc1ccncc1)O 1P028A6Y [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.252 C[C@H](COCc1ccccc1)N 1P01DTD3 [0,2,0,0,0,0|1,0,0]=3 3817 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [0,2,0,0,0,0|1,0,0]=3 3818 B12R1.252 ClC(=O)CCCc1ccccc1 1P003MG0 [0,2,0,0,0,0|1,0,1]=4 3819 B12R1.252 ClC(=O)CCOc1ccccc1 1P00CF5O [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.252 ClC(=O)COCc1ccccc1 1P002BQR [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.252 ClC(=O)OCCc1ccccc1 1P01ALYN [0,2,0,0,0,0|1,0,1]=4 3822 B12R1.252 Cl[SiH](CCCc1ccccc1)Cl 1P008NVF [0,2,0,0,0,0|1,1,0]=4 3823 B12R1.252 FC(CNCc1ccccc1)F 1P00JGHM [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.252 NC(=N)CCCc1ccccc1 1P01OUQG [0,2,0,0,0,0|1,0,1]=4 3825 B12R1.252 NC(=N)COCc1ccccc1 1P00BMIX [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.252 NC(=N)CSCc1ccccc1 1P01B1SE [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.252 NC(=N)NCCc1cccnc1 1P01EI94 [0,2,0,0,0,0|1,0,1]=4 3828 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.252 NC(=O)CNCc1ccccc1 1P00C7ZJ [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.252 NC(=O)COCc1ccccc1 1P00IAQR [0,2,0,0,0,0|2,0,0]=4 3831 B12R1.252 NC(=O)NCCc1ccccc1 1P00BVLQ [0,2,0,0,0,0|0,0,1]=3 3832 B12R1.252 NC(=O)NCCc1ccccn1 1P01A9JG [0,2,0,0,0,0|1,0,1]=4 3833 B12R1.252 NC(=O)NCCc1cccnc1 1P01AHPB [0,2,0,0,0,0|1,0,1]=4 3834 B12R1.252 NC(=O)NOCc1ccccc1 1P002A6F [0,2,0,0,0,0|1,0,1]=4 3835 B12R1.252 NC(=S)CCCc1ccccc1 1P0025WL [0,2,0,0,0,0|1,0,1]=4 3836 B12R1.252 NC(=S)COCc1ccccc1 1P01AHUB [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.252 NC(=S)NCCc1ccccc1 1P003SQO [0,2,0,0,0,0|0,0,1]=3 3838 B12R1.252 NC(=S)NCCc1ccccn1 1P0022GD [0,2,0,0,0,0|1,0,1]=4 3839 B12R1.252 OC(=O)CCCc1ccccc1 1P0023U1 [0,2,0,0,0,0|1,0,1]=4 3840 B12R1.252 OC(=O)CCNc1ccccc1 1P003427 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.252 OC(=O)CCOc1ccccc1 1P003KBS [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.252 OC(=O)CCSc1ccccc1 1P00D9EP [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8F [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8G [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.252 OC(=O)COCc1ccccc1 1P0030DV [0,2,0,0,0,0|2,0,0]=4 3846 B12R1.252 OC(=O)CSCc1ccccc1 1P003CG9 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.252 [O-]C(=O)CCCc1ccccc1 1P00AP0B [0,2,0,0,0,0|1,0,1]=4 3848 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [0,2,0,0,0,0|1,0,0]=3 3849 B12R1.43 BrC(C(=O)Cl)Cc1ccccc1 1P00CNPL [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.43 BrC(C(=O)O)Cc1ccccc1 1P001VON [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 1P0070OH [0,2,0,0,0,0|2,0,0]=4 3853 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 1P00I7EC [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [0,2,0,0,0,0|1,0,0]=3 3855 B12R1.43 CC(C(=O)Cc1ccccc1)Cl 1P019W1A [0,2,0,0,0,0|1,0,1]=4 3856 B12R1.43 CC(C(=O)Cc1ccccc1)N 1P01A27E [0,2,0,0,0,0|1,0,1]=4 3857 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [0,2,0,0,0,0|2,0,0]=4 3858 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [0,2,0,0,0,0|2,0,0]=4 3859 B12R1.43 CC(C(C)C)Nc1ccccc1 1P00016P [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.43 CC(C(N)C)Oc1ccccc1 1P01AKTG [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.43 CN(C(=Nc1ccccc1)N)C 1P01AGBB [0,2,0,0,0,0|1,0,1]=4 3862 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.43 CN(C(=O)Cc1ccccc1)C 1P002ILY [0,2,0,0,0,0|0,0,1]=3 3864 B12R1.43 CN(C(=O)Nc1ccccc1)O 1P007N79 [0,2,0,0,0,0|1,0,1]=4 3865 B12R1.43 CN(C(=O)Oc1ccccc1)C 1P00FVID [0,2,0,0,0,0|1,0,1]=4 3866 B12R1.43 CN(C(=O)Oc1ccccc1)N 1P028XX8 [0,2,0,0,0,0|1,0,1]=4 3867 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [0,2,0,0,0,0|1,0,0]=3 3870 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.43 NC(C(=O)O)Cc1ccccc1 1P003RTV [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [0,2,0,0,0,0|2,0,0]=4 3875 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 1P00359U [0,2,0,0,0,0|2,0,0]=4 3876 B12R1.43 N[C@H](C(=N)O)Cc1ccccc1 1P003D1I [0,2,0,0,0,0|2,0,0]=4 3877 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [0,2,0,0,0,0|2,0,0]=4 3878 B12R1.43 N[C@H](C(=O)O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00JOC8 [0,2,0,0,0,0|2,0,0]=4 3879 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P001MO4 [0,2,0,0,0,0|2,0,0]=4 3880 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P0021PS [0,2,0,0,0,0|2,0,0]=4 3881 B12R1.43 N[C@H](C(C)C)Cc1ccccc1 1P006XWD [0,2,0,0,0,0|1,0,0]=3 3882 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [0,2,0,0,0,0|2,0,0]=4 3883 B12R1.43 OC(C(=O)O)Cc1ccccc1 1P004TVQ [0,2,0,0,0,0|2,0,0]=4 3884 B12R1.43 OC(C(C)C)Cc1ccccc1 1P00FU0X [0,2,0,0,0,0|1,0,0]=3 3885 B12R1.43 OC(C(F)F)Cc1ccccc1 1P01DVSF [0,2,0,0,0,0|2,0,0]=4 3886 B12R1.43 OC(C(N)C)Cc1ccccc1 1P01A27Z [0,2,0,0,0,0|1,0,0]=3 3887 B12R1.43 OC(C(O)C)Cc1ccncc1 1P027YDO [0,2,0,0,0,0|2,0,0]=4 3888 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 1P005FS8 [0,2,0,0,0,0|2,0,0]=4 3889 B12R1.43 O[C@H](C(=O)O)Cc1ccccc1 1P00735M [0,2,0,0,0,0|2,0,0]=4 3890 B12R1.43 SC(C(=O)O)Cc1ccccc1 1P00GU3B [0,2,0,0,0,0|2,0,0]=4 3891 B12R1.43 S[C@@H](C(=O)O)Cc1ccccc1 1P028TTD [0,2,0,0,0,0|2,0,0]=4 3892 B12R1.118 BrCC(Cc1ccccc1)OC 1P000H3A [0,2,0,0,0,0|1,0,0]=3 3893 B12R1.118 CCC(Cc1ccccc1)NC 1P00G3TS [0,2,0,0,0,0|0,0,0]=2 3894 B12R1.118 CCC(Cc1ccccc1)NC 1P00GPY7 [0,2,0,0,0,0|0,0,0]=2 3895 B12R1.118 CCC(Nc1ccccc1)CO 1P01A9VK [0,2,0,0,0,0|2,0,0]=4 3896 B12R1.118 CCC(Oc1ccccc1)C#N 1P02877L [0,2,0,0,0,0|2,0,0]=4 3897 B12R1.118 CCC(Oc1ccccc1)CN 1P01AI3J [0,2,0,0,0,0|2,0,0]=4 3898 B12R1.118 CCC(Oc1ccccc1)CN 1P028YBU [0,2,0,0,0,0|2,0,0]=4 3899 B12R1.118 CCC(Sc1ccccc1)C#N 1P01EK8N [0,2,0,0,0,0|2,0,0]=4 3900 B12R1.118 CCN(Cc1ccccc1)CC 1P0035RS [0,2,0,0,0,0|2,0,0]=4 3901 B12R1.118 COC(Cc1ccccc1)C#N 1P01ANVY [0,2,0,0,0,0|1,0,0]=3 3902 B12R1.118 COC(Cc1ccccc1)C=O 1P01AV5H [0,2,0,0,0,0|1,0,0]=3 3903 B12R1.118 COC(Cc1ccccc1)OC 1P0003VY [0,2,0,0,0,0|1,0,0]=3 3904 B12R1.118 COC([SiH2]c1ccccc1)OC 1P002ZVS [0,2,0,0,0,0|1,1,0]=4 3905 B12R1.118 NCC(Cc1ccccc1)CO 1P00FICE [0,2,0,0,0,0|2,0,0]=4 3906 B12R1.118 NCC(Cc1ccccc1)CO 1P028WXN [0,2,0,0,0,0|2,0,0]=4 3907 B12R1.118 NCC(Cc1ccccc1)CS 1P028YTH [0,2,0,0,0,0|2,0,0]=4 3908 B12R1.118 NCC(Cc1ccccc1)NC 1P01A6YF [0,2,0,0,0,0|0,0,0]=2 3909 B12R1.118 NCC(Cc1ccccc1)OC 1P00H2E2 [0,2,0,0,0,0|1,0,0]=3 3910 B12R1.118 NCC(Cc1ccccc1)OC 1P028CXK [0,2,0,0,0,0|1,0,0]=3 3911 B12R1.118 OCC(Cc1ccccc1)C#N 1P00I5F3 [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.118 OCC(Cc1ccccc1)CO 1P002S8P [0,2,0,0,0,0|2,0,0]=4 3913 B12R1.118 OCC(Cc1ccccc1)NC 1P00GTMT [0,2,0,0,0,0|0,0,0]=2 3914 B12R1.118 OCC(Cc1ccccc1)OC 1P01AUXJ [0,2,0,0,0,0|1,0,0]=3 3915 B12R1.118 OC[C@H](Cc1ccccc1)NC 1P004YA0 [0,2,0,0,0,0|0,0,0]=2 3916 B12R1.194 C#CC(Cc1ccccc1)(O)C 1P01B65V [0,2,0,0,0,0|1,0,1]=4 3917 B12R1.194 CCC(Cc1ccccc1)(O)C 1P003I26 [0,2,0,0,0,0|1,0,0]=3 3918 B12R1.194 CNS(=O)(=O)Cc1ccccc1 1P019W0S [0,2,0,0,0,0|1,0,0]=3 3919 B12R1.194 N#CC(Cc1ccccc1)(C)C 1P00I7KH [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.194 NCC(Cc1ccccc1)(C)C 1P01AJMU [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.194 NNS(=O)(=O)Cc1ccccc1 1P007ALD [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.194 O=CC(Cc1ccccc1)(C)C 1P0003L9 [0,2,0,0,0,0|2,0,0]=4 3923 B12R1.194 OCC(Cc1ccccc1)(N)C 1P027X9I [0,2,0,0,0,0|2,0,0]=4 3924 B12R1.891 CC(CCc1ccccc1)(N)C 1P01AACF [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.891 CC(CCc1ccccc1)(O)C 1P003I40 [0,2,0,0,0,0|1,0,0]=3 3926 B12R1.891 CC(CCc1ccccn1)(N)C 1P028VK7 [0,2,0,0,0,0|2,0,0]=4 3927 B12R1.891 CC(CCc1ccncc1)(N)C 1P0290DH [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.891 CC(CNc1ccccc1)(C)C 1P005WZP [0,2,0,0,0,0|2,0,0]=4 3929 B12R1.891 CC(CNc1ccccc1)(C)C 1P01FNHT [0,2,0,0,0,0|2,0,0]=4 3930 B12R1.891 CC(CNc1ccccc1)(N)C 1P01ABV4 [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.891 CC(CNc1ccccc1)(N)C 1P027VZM [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.891 CC(COc1ccccc1)(N)C 1P028UK6 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.891 CC(COc1ccccc1)(O)C 1P01AIGV [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.891 CC(NCc1ccccc1)(C)C 1P0035RG [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.891 CC(SCc1ccccc1)(C)C 1P005O2P [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.891 CS(=O)(=O)NCc1ccccc1 1P00JJR7 [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.891 CS(=O)(=O)OCc1ccccc1 1P01C4RT [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.891 C[Si](NCc1ccccc1)(C)C 1P001LHD [0,2,0,0,0,0|2,0,0]=4 3939 B12R1.891 C[Si](OCc1ccccc1)(C)C 1P001EH3 [0,2,0,0,0,0|2,0,0]=4 3940 B12R1.891 ClS(=O)(=O)CCc1ccccc1 1P007497 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.891 Cl[Si](CCc1ccccc1)(Cl)Cl 1P00GVK1 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.891 FC(CCc1ccccc1)(F)F 1P001QA7 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.891 FS(=O)(=O)CCc1ccccc1 1P01ALG4 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.891 F[B-](CCc1ccccc1)(F)F 1P003UDT [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.891 NS(=O)(=O)CCc1ccccc1 1P01A8RG [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.891 OP(=O)(CCc1ccccc1)O 1P003IC5 [0,2,0,0,0,0|1,1,0]=4 3947 B12R1.891 [O-]S(=O)(=O)CCc1ccccc1 1P01G4LQ [0,2,0,0,0,0|2,0,0]=4 3948 B10R2.6 C1CC1c2ccccc2 1P008EMK [1,0,0,1,0,0|0,0,0]=2 3949 B10R2.6 C1CC1c2ccncc2 1P01EKJC [1,0,0,1,0,0|1,0,0]=3 3950 B10R2.6 N1CC1c2ccccc2 1P001MKW [1,0,0,1,0,0|0,0,0]=2 3951 B10R2.6 O1CC1c2ccccc2 1P003632 [1,0,0,1,0,0|1,0,0]=3 3952 B10R2.6 O1C[C@@H]1c2ccccc2 1P002JRH [1,0,0,1,0,0|1,0,0]=3 3953 B10R2.6 O1C[C@H]1c2ccccc2 1P002JRI [1,0,0,1,0,0|1,0,0]=3 3954 B10R2.6 c1ccc(cn1)C2CC2 1P002HZK [1,0,0,1,0,0|1,0,0]=3 3955 B10R2.6 c1ccc(cn1)C2CO2 1P00ELQC [1,0,0,1,0,0|2,0,0]=4 3956 B10R2.6 c1ccc(nc1)C2CO2 1P018SFL [1,0,0,1,0,0|2,0,0]=4 3957 B10R2.7 C1Cc2c(C1)cccc2 1P0037N7 [1,0,0,1,0,0|0,0,0]=2 3958 B10R2.7 C1Cc2c(N1)ccnc2 1P002OA9 [1,0,0,1,0,0|1,0,0]=3 3959 B10R2.7 C1Cc2c(N1)ccnc2 1P00EKG2 [1,0,0,1,0,0|1,0,0]=3 3960 B10R2.7 C1Cc2c(N1)cncc2 1P00338T [1,0,0,1,0,0|1,0,0]=3 3961 B10R2.7 C1Cc2c(N1)cncc2 1P009I2T [1,0,0,1,0,0|1,0,0]=3 3962 B10R2.7 C1Cc2c(N1)cncc2 1P00HZ3J [1,0,0,1,0,0|1,0,0]=3 3963 B10R2.7 C1Cc2c(N1)nccc2 1P003FZJ [1,0,0,1,0,0|1,0,0]=3 3964 B10R2.7 C1Cc2c(N1)ncnc2 1P01BY0P [1,0,0,1,0,0|2,0,0]=4 3965 B10R2.7 C1Cc2c(N1)nncc2 1P027VME [1,0,0,1,0,0|2,0,0]=4 3966 B10R2.7 C1Nc2c(C1)nccc2 1P009I2U [1,0,0,1,0,0|1,0,0]=3 3967 B10R2.7 C1Nc2c(C1)nccc2 1P00AO2E [1,0,0,1,0,0|1,0,0]=3 3968 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5F [1,0,0,1,0,0|2,0,0]=4 3969 B10R2.7 C1Nc2c(C1)nncc2 1P01AV5G [1,0,0,1,0,0|2,0,0]=4 3970 B10R2.7 C1Oc2c(O1)cccc2 1P00I5NN [1,0,0,1,0,0|2,0,0]=4 3971 B10R2.7 C1Sc2c(S1)cccc2 1P00C5DW [1,0,0,1,0,0|2,0,0]=4 3972 B10R2.7 N1Cc2c(C1)cccc2 1P00399N [1,0,0,1,0,0|0,0,0]=2 3973 B10R2.7 N1Cc2c(C1)cccc2 1P003RKJ [1,0,0,1,0,0|0,0,0]=2 3974 B10R2.7 O1Cc2c(C1)cccc2 1P003E0J [1,0,0,1,0,0|1,0,0]=3 3975 B10R2.7 S1Cc2c(C1)cccc2 1P002PM4 [1,0,0,1,0,0|1,0,0]=3 3976 B10R2.7 c1ccc2c(c1)C=CC2 1P0035HF [1,0,0,1,0,0|0,0,2]=4 3977 B10R2.7 c1ccc2c(c1)OCC2 1P0033EK [1,0,0,1,0,0|1,0,0]=3 3978 B10R2.7 c1ccc2c(c1)[nH]cc2 1P000QID [1,0,0,1,0,0|0,0,2]=4 3979 B10R2.7 c1ccc2c(c1)[nH]cn2 1P0034YF [1,0,0,1,0,0|1,0,1]=4 3980 B10R2.7 c1ccc2c(c1)[nH]cn2 1P01PO48 [1,0,0,1,0,0|1,0,1]=4 3981 B10R2.7 c1ccc2c(c1)[nH]nc2 1P003RGJ [1,0,0,1,0,0|1,0,1]=4 3982 B10R2.7 c1ccc2c(c1)[nH]nn2 1P00338C [1,0,0,1,0,0|2,0,0]=4 3983 B10R2.7 c1ccc2c(c1)n[nH]c2 1P00BGNY [1,0,0,1,0,0|1,0,1]=4 3984 B10R2.7 c1cnc2c(c1)CCC2 1P003FX5 [1,0,0,1,0,0|1,0,0]=3 3985 B10R2.7 c1cnc2c(c1)CNC2 1P001FM0 [1,0,0,1,0,0|1,0,0]=3 3986 B10R2.7 c1cnc2c(c1)CNC2 1P001FM2 [1,0,0,1,0,0|1,0,0]=3 3987 B10R2.7 c1cnc2c(c1)CNC2 1P00EL6Y [1,0,0,1,0,0|1,0,0]=3 3988 B10R2.7 c1cnc2c(n1)NCC2 1P01XAC3 [1,0,0,1,0,0|2,0,0]=4 3989 B10R2.7 c1ncc2c(c1)CCC2 1P00DL6X [1,0,0,1,0,0|1,0,0]=3 3990 B10R2.7 c1ncc2c(c1)CNC2 1P0033EI [1,0,0,1,0,0|1,0,0]=3 3991 B10R2.7 c1ncc2c(c1)CNC2 1P00EA58 [1,0,0,1,0,0|1,0,0]=3 3992 B10R2.7 c1ncc2c(c1)COC2 1P01FT1J [1,0,0,1,0,0|2,0,0]=4 3993 B10R2.7 n1cnc2c(c1)CNC2 1P001PU3 [1,0,0,1,0,0|2,0,0]=4 3994 B10R2.7 n1cnc2c(c1)CNC2 1P003NHP [1,0,0,1,0,0|2,0,0]=4 3995 B10R2.7 n1cnc2c(c1)CNC2 1P008UZJ [1,0,0,1,0,0|2,0,0]=4 3996 B10R2.320 BrC1Cc2c1cccc2 1P002LO8 [1,0,0,1,0,0|1,0,0]=3 3997 B10R2.320 NC1Cc2c1cccc2 1P002M98 [1,0,0,1,0,0|0,0,0]=2 3998 B10R2.320 O=C1Cc2c1cccc2 1P00C72G [1,0,0,1,0,0|1,0,1]=4 3999 B10R2.320 OC1Cc2c1cccc2 1P00CLUH [1,0,0,1,0,0|1,0,0]=3 4000 B10R2.5 CC1CC1c2ccco2 1P019PA5 [0,0,0,1,1,0|2,0,0]=4 4001 B10R2.136 C1CC(C1)c2cccs2 1P028TM9 [0,0,0,1,1,0|2,0,0]=4 4002 B10R2.136 N1CC(C1)c2[nH]cnc2 1P027Z51 [0,0,0,1,1,0|2,0,0]=4 4003 B10R2.136 N1CC(C1)c2[nH]cnc2 1P028LKX [0,0,0,1,1,0|2,0,0]=4 4004 B10R2.136 N1CC(C1)c2c[nH]nc2 1P028V33 [0,0,0,1,1,0|2,0,0]=4 4005 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCD [0,0,0,1,1,0|2,0,0]=4 4006 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCF [0,0,0,1,1,0|2,0,0]=4 4007 B10R2.136 N1CC(C1)c2cc[nH]n2 1P01FKCG [0,0,0,1,1,0|2,0,0]=4 4008 B10R2.136 N1CC(C1)c2ccon2 1P01BHMM [0,0,0,1,1,0|2,0,0]=4 4009 B10R2.136 N1CC(C1)c2ncc[nH]2 1P01FKVP [0,0,0,1,1,0|2,0,0]=4 4010 B10R2.136 N1CC(C1)c2ncco2 1P027Z5D [0,0,0,1,1,0|2,0,0]=4 4011 B10R2.136 N1CC(C1)c2nccs2 1P024OXW [0,0,0,1,1,0|2,0,0]=4 4012 B10R2.136 N1CC(C1)c2ncsc2 1P027XVE [0,0,0,1,1,0|2,0,0]=4 4013 B10R2.136 N1CC(C1)c2ocnc2 1P027YH1 [0,0,0,1,1,0|2,0,0]=4 4014 B10R2.136 N1CC(C1)n2cccc2 1P01AMJ9 [0,0,0,1,1,0|1,0,0]=3 4015 B10R2.136 N1CC(C1)n2cccn2 1P0017BX [0,0,0,1,1,0|2,0,0]=4 4016 B10R2.136 N1CC(C1)n2cccn2 1P008VSM [0,0,0,1,1,0|2,0,0]=4 4017 B10R2.136 N1CC(C1)n2cncc2 1P007YCG [0,0,0,1,1,0|2,0,0]=4 4018 B12R2.24 BrC1CCc2c(C1)cccc2 1P01AA0L [0,1,0,1,0,0|1,0,0]=3 4019 B12R2.24 Brc1cc2CNCCc2nc1 1P000HJA [0,1,0,1,0,0|1,0,0]=3 4020 B12R2.24 Brc1cc2CNCCc2nc1 1P00IBHZ [0,1,0,1,0,0|1,0,0]=3 4021 B12R2.24 Brc1ccc2c(c1)CCCC2 1P00EIU0 [0,1,0,1,0,0|1,0,0]=3 4022 B12R2.24 Brc1ccc2c(c1)CCCN2 1P0039MU [0,1,0,1,0,0|2,0,0]=4 4023 B12R2.24 Brc1ccc2c(c1)CCCN2 1P008S6I [0,1,0,1,0,0|2,0,0]=4 4024 B12R2.24 Brc1ccc2c(c1)CCCO2 1P00C6Z6 [0,1,0,1,0,0|2,0,0]=4 4025 B12R2.24 Brc1ccc2c(c1)CCCS2 1P01AM5X [0,1,0,1,0,0|2,0,0]=4 4026 B12R2.24 Brc1ccc2c(c1)CCNC2 1P003NK4 [0,1,0,1,0,0|0,0,0]=2 4027 B12R2.24 Brc1ccc2c(c1)CCNC2 1P00712N [0,1,0,1,0,0|0,0,0]=2 4028 B12R2.24 Brc1ccc2c(c1)CCOC2 1P0024QF [0,1,0,1,0,0|1,0,0]=3 4029 B12R2.24 Brc1ccc2c(c1)CNCC2 1P0025EM [0,1,0,1,0,0|0,0,0]=2 4030 B12R2.24 Brc1ccc2c(c1)CNCC2 1P0034UI [0,1,0,1,0,0|0,0,0]=2 4031 B12R2.24 Brc1ccc2c(c1)COCC2 1P001MLE [0,1,0,1,0,0|1,0,0]=3 4032 B12R2.24 Brc1ccc2c(c1)NCCC2 1P000FLQ [0,1,0,1,0,0|2,0,0]=4 4033 B12R2.24 Brc1ccc2c(c1)NCCC2 1P000JFW [0,1,0,1,0,0|2,0,0]=4 4034 B12R2.24 Brc1ccc2c(c1)OCCC2 1P003AM8 [0,1,0,1,0,0|2,0,0]=4 4035 B12R2.24 Brc1ccc2c(n1)CCCC2 1P00FDQY [0,1,0,1,0,0|2,0,0]=4 4036 B12R2.24 Brc1ccc2c(n1)CCNC2 1P00IINJ [0,1,0,1,0,0|1,0,0]=3 4037 B12R2.24 Brc1ccc2c(n1)CCNC2 1P01V831 [0,1,0,1,0,0|1,0,0]=3 4038 B12R2.24 Brc1cnc2c(c1)CCCC2 1P00GA7F [0,1,0,1,0,0|2,0,0]=4 4039 B12R2.24 Brc1cnc2c(c1)CCNC2 1P01JPN7 [0,1,0,1,0,0|1,0,0]=3 4040 B12R2.24 Brc1cnc2c(c1)CNCC2 1P0092XR [0,1,0,1,0,0|1,0,0]=3 4041 B12R2.24 C1NCCc2c1cc(=O)[nH]n2 1P00CLRU [0,1,0,1,0,0|2,0,0]=4 4042 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [0,1,0,1,0,0|1,0,1]=4 4043 B12R2.24 CC1CCc2c(C1)cccn2 1P024XID [0,1,0,1,0,0|2,0,0]=4 4044 B12R2.24 CC1CCc2c(C1)nccc2 1P00PGYR [0,1,0,1,0,0|2,0,0]=4 4045 B12R2.24 CC1CCc2c(N1)cccc2 1P00266P [0,1,0,1,0,0|1,0,0]=3 4046 B12R2.24 CC1CCc2c(N1)cccn2 1P028E84 [0,1,0,1,0,0|2,0,0]=4 4047 B12R2.24 CC1CNc2c(C1)cccc2 1P002J2Y [0,1,0,1,0,0|2,0,0]=4 4048 B12R2.24 CC1CNc2c(N1)cccc2 1P00FUJJ [0,1,0,1,0,0|2,0,0]=4 4049 B12R2.24 CC1CNc2c(O1)cccc2 1P00EJLD [0,1,0,1,0,0|2,0,0]=4 4050 B12R2.24 CC1CNc2c(O1)cccc2 1P01APH8 [0,1,0,1,0,0|2,0,0]=4 4051 B12R2.24 CC1CNc2c(S1)cccc2 1P00EJLC [0,1,0,1,0,0|2,0,0]=4 4052 B12R2.24 CC1COc2c(N1)cccc2 1P00C0UG [0,1,0,1,0,0|2,0,0]=4 4053 B12R2.24 CC1CSc2c(N1)cccc2 1P00IES3 [0,1,0,1,0,0|2,0,0]=4 4054 B12R2.24 CC1NCc2c(C1)nccc2 1P024ZMV [0,1,0,1,0,0|1,0,0]=3 4055 B12R2.24 CC1NCc2c(C1)nccc2 1P02933X [0,1,0,1,0,0|1,0,0]=3 4056 B12R2.24 CN1CCc2c(C1)cccc2 1P001SPY [0,1,0,1,0,0|0,0,0]=2 4057 B12R2.24 CN1CCc2c(C1)cccc2 1P00DJHF [0,1,0,1,0,0|0,0,0]=2 4058 B12R2.24 CN1COc2c(C1)cccc2 1P01FX7S [0,1,0,1,0,0|1,0,0]=3 4059 B12R2.24 C[C@@H]1CNc2c(O1)cccc2 1P0281EX [0,1,0,1,0,0|2,0,0]=4 4060 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P01JVJO [0,1,0,1,0,0|0,0,0]=2 4061 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P02857A [0,1,0,1,0,0|0,0,0]=2 4062 B12R2.24 C[C@H]1CNc2c(O1)cccc2 1P0280IJ [0,1,0,1,0,0|2,0,0]=4 4063 B12R2.24 Cc1ccc2c(c1)CCCC2 1P00ABHV [0,1,0,1,0,0|1,0,0]=3 4064 B12R2.24 Cc1ccc2c(c1)CCCO2 1P01A8GR [0,1,0,1,0,0|2,0,0]=4 4065 B12R2.24 Cc1ccc2c(c1)CCNC2 1P00C089 [0,1,0,1,0,0|0,0,0]=2 4066 B12R2.24 Cc1ccc2c(c1)CCNC2 1P00CLFY [0,1,0,1,0,0|0,0,0]=2 4067 B12R2.24 Cc1ccc2c(c1)CNCC2 1P002JJ2 [0,1,0,1,0,0|0,0,0]=2 4068 B12R2.24 Cc1ccc2c(c1)CNCC2 1P00CJJS [0,1,0,1,0,0|0,0,0]=2 4069 B12R2.24 Cc1ccc2c(c1)COCC2 1P007YDB [0,1,0,1,0,0|1,0,0]=3 4070 B12R2.24 Cc1ccc2c(c1)NCCC2 1P00EM0U [0,1,0,1,0,0|2,0,0]=4 4071 B12R2.24 Cc1ccc2c(n1)CCCC2 1P002SFV [0,1,0,1,0,0|2,0,0]=4 4072 B12R2.24 Cc1ccc2c(n1)CCNC2 1P0289Q5 [0,1,0,1,0,0|1,0,0]=3 4073 B12R2.24 Cc1nc2CNCCc2cn1 1P000HUK [0,1,0,1,0,0|2,0,0]=4 4074 B12R2.24 Cc1ncc2c(n1)CCNC2 1P00FFXZ [0,1,0,1,0,0|2,0,0]=4 4075 B12R2.24 Clc1cc2CNCCc2nc1 1P000RZ2 [0,1,0,1,0,0|1,0,0]=3 4076 B12R2.24 Clc1cc2CNCCc2nc1 1P01DO6M [0,1,0,1,0,0|1,0,0]=3 4077 B12R2.24 Clc1cc2CNCCc2nn1 1P000WPO [0,1,0,1,0,0|2,0,0]=4 4078 B12R2.24 Clc1cc2COCCc2nc1 1P01RHUQ [0,1,0,1,0,0|2,0,0]=4 4079 B12R2.24 Clc1ccc2c(c1)C=NCC2 1P00EMFQ [0,1,0,1,0,0|0,0,2]=4 4080 B12R2.24 Clc1ccc2c(c1)CCCN2 1P00DDP5 [0,1,0,1,0,0|2,0,0]=4 4081 B12R2.24 Clc1ccc2c(c1)CCCN2 1P01B98X [0,1,0,1,0,0|2,0,0]=4 4082 B12R2.24 Clc1ccc2c(c1)CCCO2 1P00CNCB [0,1,0,1,0,0|2,0,0]=4 4083 B12R2.24 Clc1ccc2c(c1)CCNC2 1P007FFC [0,1,0,1,0,0|0,0,0]=2 4084 B12R2.24 Clc1ccc2c(c1)CCNC2 1P00I72I [0,1,0,1,0,0|0,0,0]=2 4085 B12R2.24 Clc1ccc2c(c1)CNCC2 1P004Y9B [0,1,0,1,0,0|0,0,0]=2 4086 B12R2.24 Clc1ccc2c(c1)CNCC2 1P005MT3 [0,1,0,1,0,0|0,0,0]=2 4087 B12R2.24 Clc1ccc2c(c1)NCCC2 1P0034UT [0,1,0,1,0,0|2,0,0]=4 4088 B12R2.24 Clc1ccc2c(c1)NCCC2 1P0039XV [0,1,0,1,0,0|2,0,0]=4 4089 B12R2.24 Clc1ccc2c(c1)OCCC2 1P01OHXF [0,1,0,1,0,0|2,0,0]=4 4090 B12R2.24 Clc1ccc2c(n1)CCCC2 1P003AKR [0,1,0,1,0,0|2,0,0]=4 4091 B12R2.24 Clc1ccc2c(n1)CCNC2 1P002LB7 [0,1,0,1,0,0|1,0,0]=3 4092 B12R2.24 Clc1ccc2c(n1)CCNC2 1P003752 [0,1,0,1,0,0|1,0,0]=3 4093 B12R2.24 Clc1ccc2c(n1)CCOC2 1P000RGF [0,1,0,1,0,0|2,0,0]=4 4094 B12R2.24 Clc1ccc2c(n1)CNCC2 1P008UQ0 [0,1,0,1,0,0|1,0,0]=3 4095 B12R2.24 Clc1ccc2c(n1)CNCC2 1P009XYQ [0,1,0,1,0,0|1,0,0]=3 4096 B12R2.24 Clc1ccc2c(n1)COCC2 1P020LN4 [0,1,0,1,0,0|2,0,0]=4 4097 B12R2.24 Clc1nc2CNCCc2cn1 1P00HXBF [0,1,0,1,0,0|2,0,0]=4 4098 B12R2.24 Clc1ncc2c(c1)CCCC2 1P00IF4G [0,1,0,1,0,0|2,0,0]=4 4099 B12R2.24 Clc1ncc2c(c1)CCNC2 1P009VXA [0,1,0,1,0,0|1,0,0]=3 4100 B12R2.24 Clc1ncc2c(c1)CCOC2 1P028THR [0,1,0,1,0,0|2,0,0]=4 4101 B12R2.24 Clc1ncc2c(n1)CCNC2 1P000WPV [0,1,0,1,0,0|2,0,0]=4 4102 B12R2.24 Clc1ncc2c(n1)CCNC2 1P003HEZ [0,1,0,1,0,0|2,0,0]=4 4103 B12R2.24 Clc1nnc2c(c1)CCNC2 1P01C2VG [0,1,0,1,0,0|2,0,0]=4 4104 B12R2.24 Fc1ccc2c(c1)CCCN2 1P0039HM [0,1,0,1,0,0|2,0,0]=4 4105 B12R2.24 Fc1ccc2c(c1)CCCO2 1P005CVL [0,1,0,1,0,0|2,0,0]=4 4106 B12R2.24 Fc1ccc2c(c1)CCNC2 1P00370Q [0,1,0,1,0,0|0,0,0]=2 4107 B12R2.24 Fc1ccc2c(c1)CCNC2 1P00I4W2 [0,1,0,1,0,0|0,0,0]=2 4108 B12R2.24 Fc1ccc2c(c1)CNCC2 1P005FEL [0,1,0,1,0,0|0,0,0]=2 4109 B12R2.24 Fc1ccc2c(c1)CNCC2 1P00BZCX [0,1,0,1,0,0|0,0,0]=2 4110 B12R2.24 Fc1ccc2c(c1)NCCC2 1P019UUZ [0,1,0,1,0,0|2,0,0]=4 4111 B12R2.24 Fc1ccc2c(c1)NCCC2 1P01AC0V [0,1,0,1,0,0|2,0,0]=4 4112 B12R2.24 Ic1ccc2c(c1)CCCO2 1P00FHME [0,1,0,1,0,0|2,0,0]=4 4113 B12R2.24 N=c1[nH]cc2c(c1)CCCC2 1P00FEV9 [0,1,0,1,0,0|2,0,0]=4 4114 B12R2.24 NC1=Nc2c(CC1)cccc2 1P028CNT [0,1,0,1,0,0|2,0,0]=4 4115 B12R2.24 NC1CCc2c(C1)cccc2 1P00201L [0,1,0,1,0,0|1,0,0]=3 4116 B12R2.24 NC1CCc2c(C1)cccc2 1P002Z65 [0,1,0,1,0,0|1,0,0]=3 4117 B12R2.24 NC1CCc2c(C1)cccn2 1P019VS1 [0,1,0,1,0,0|2,0,0]=4 4118 B12R2.24 NC1CNc2c(C1)cccc2 1P00C7ZK [0,1,0,1,0,0|2,0,0]=4 4119 B12R2.24 NC1COc2c(C1)cccc2 1P00383B [0,1,0,1,0,0|2,0,0]=4 4120 B12R2.24 NC1COc2c(C1)cccc2 1P00EFVT [0,1,0,1,0,0|2,0,0]=4 4121 B12R2.24 NN1CCc2c(C1)cccc2 1P00G8HI [0,1,0,1,0,0|0,0,0]=2 4122 B12R2.24 N[C@@H]1CCc2c(C1)cccc2 1P00389M [0,1,0,1,0,0|1,0,0]=3 4123 B12R2.24 N[C@@H]1COc2c(C1)cccc2 1P003D2J [0,1,0,1,0,0|2,0,0]=4 4124 B12R2.24 N[C@H]1CCc2c(C1)cccc2 1P00I4PM [0,1,0,1,0,0|1,0,0]=3 4125 B12R2.24 Nc1cc2CNCCc2nc1 1P009K6B [0,1,0,1,0,0|1,0,0]=3 4126 B12R2.24 Nc1cc2CNCCc2nn1 1P018S9L [0,1,0,1,0,0|2,0,0]=4 4127 B12R2.24 Nc1cc2COCCc2nc1 1P00B32A [0,1,0,1,0,0|2,0,0]=4 4128 B12R2.24 Nc1ccc2c(c1)CCCC2 1P0034MQ [0,1,0,1,0,0|1,0,0]=3 4129 B12R2.24 Nc1ccc2c(c1)CCCC2 1P028HIE [0,1,0,1,0,0|1,0,0]=3 4130 B12R2.24 Nc1ccc2c(c1)CCCO2 1P00DLZT [0,1,0,1,0,0|2,0,0]=4 4131 B12R2.24 Nc1ccc2c(c1)CCCO2 1P01JV5U [0,1,0,1,0,0|2,0,0]=4 4132 B12R2.24 Nc1ccc2c(c1)CCCS2 1P01EIMC [0,1,0,1,0,0|2,0,0]=4 4133 B12R2.24 Nc1ccc2c(c1)CCNC2 1P0021QC [0,1,0,1,0,0|0,0,0]=2 4134 B12R2.24 Nc1ccc2c(c1)CCNC2 1P01EKHX [0,1,0,1,0,0|0,0,0]=2 4135 B12R2.24 Nc1ccc2c(c1)CCOC2 1P00DK5W [0,1,0,1,0,0|1,0,0]=3 4136 B12R2.24 Nc1ccc2c(c1)CCOC2 1P01B68R [0,1,0,1,0,0|1,0,0]=3 4137 B12R2.24 Nc1ccc2c(c1)CNCC2 1P0021QB [0,1,0,1,0,0|0,0,0]=2 4138 B12R2.24 Nc1ccc2c(c1)CNCC2 1P003NTA [0,1,0,1,0,0|0,0,0]=2 4139 B12R2.24 Nc1ccc2c(c1)COCC2 1P01DWGH [0,1,0,1,0,0|1,0,0]=3 4140 B12R2.24 Nc1ccc2c(c1)NCCC2 1P000VQ2 [0,1,0,1,0,0|2,0,0]=4 4141 B12R2.24 Nc1ccc2c(c1)NCCC2 1P007YCC [0,1,0,1,0,0|2,0,0]=4 4142 B12R2.24 Nc1ccc2c(c1)OCCC2 1P020IUK [0,1,0,1,0,0|2,0,0]=4 4143 B12R2.24 Nc1ccc2c(c1)OCCC2 1P027VA5 [0,1,0,1,0,0|2,0,0]=4 4144 B12R2.24 Nc1ccc2c(n1)CCCC2 1P00A9X8 [0,1,0,1,0,0|2,0,0]=4 4145 B12R2.24 Nc1ccc2c(n1)COCC2 1P0286LA [0,1,0,1,0,0|2,0,0]=4 4146 B12R2.24 Nc1cnc2c(c1)CCCC2 1P001NN5 [0,1,0,1,0,0|2,0,0]=4 4147 B12R2.24 Nc1ncc2c(n1)CCNC2 1P001PU4 [0,1,0,1,0,0|2,0,0]=4 4148 B12R2.24 Nc1ncc2c(n1)CNCC2 1P00I1CZ [0,1,0,1,0,0|2,0,0]=4 4149 B12R2.24 O=C1CC=C2C(=N1)CCNC2 1P00FGRV [0,1,0,1,0,0|1,0,1]=4 4150 B12R2.24 O=C1CCc2c(C1)cccn2 1P00BD2K [0,1,0,1,0,0|2,0,0]=4 4151 B12R2.24 O=C1CCc2c(N1)cccc2 1P003IXY [0,1,0,1,0,0|2,0,0]=4 4152 B12R2.24 O=C1CCc2c(O1)cccc2 1P000PG9 [0,1,0,1,0,0|2,0,0]=4 4153 B12R2.24 O=C1COc2c(C1)cccc2 1P002FDL [0,1,0,1,0,0|2,0,0]=4 4154 B12R2.24 O=C1CSc2c(C1)cccc2 1P001YUW [0,1,0,1,0,0|2,0,0]=4 4155 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [0,1,0,1,0,0|0,0,1]=3 4156 B12R2.24 O=C1NCc2c(C1)cccn2 1P01DL4O [0,1,0,1,0,0|1,0,1]=4 4157 B12R2.24 O=C1NCc2c(C1)cncc2 1P007BG4 [0,1,0,1,0,0|1,0,1]=4 4158 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [0,1,0,1,0,0|1,0,1]=4 4159 B12R2.24 O=C1NCc2c(O1)cccc2 1P009OMZ [0,1,0,1,0,0|1,0,1]=4 4160 B12R2.24 O=C1OCc2c(C1)cccc2 1P00I8TK [0,1,0,1,0,0|1,0,1]=4 4161 B12R2.24 O=c1[nH]cc2c(c1)CCNC2 1P01K4MI [0,1,0,1,0,0|1,0,0]=3 4162 B12R2.24 O=c1[nH]cc2c(c1)CCOC2 1P028VCZ [0,1,0,1,0,0|2,0,0]=4 4163 B12R2.24 O=c1[nH]nc2c(c1)CCNC2 1P01PNF4 [0,1,0,1,0,0|2,0,0]=4 4164 B12R2.24 O=c1ccc2c([nH]1)CCCC2 1P00DEA4 [0,1,0,1,0,0|2,0,0]=4 4165 B12R2.24 OC1CCc2c(C1)cccc2 1P00D8EP [0,1,0,1,0,0|1,0,0]=3 4166 B12R2.24 OC1CNc2c(C1)cccc2 1P00C6U7 [0,1,0,1,0,0|2,0,0]=4 4167 B12R2.24 OC1CNc2c(C1)cccc2 1P01BGH0 [0,1,0,1,0,0|2,0,0]=4 4168 B12R2.24 OC1OCc2c(C1)cccc2 1P00CVDY [0,1,0,1,0,0|1,0,0]=3 4169 B12R2.24 O[C@@H]1CNc2c(C1)cccc2 1P00ILOH [0,1,0,1,0,0|2,0,0]=4 4170 B12R2.24 O[C@H]1CNc2c(C1)cccc2 1P00HCNT [0,1,0,1,0,0|2,0,0]=4 4171 B12R2.24 Oc1cc2CNCCc2nc1 1P0059XL [0,1,0,1,0,0|1,0,0]=3 4172 B12R2.24 Oc1ccc2c(c1)CCCC2 1P003MPV [0,1,0,1,0,0|1,0,0]=3 4173 B12R2.24 Oc1ccc2c(c1)CCCN2 1P003NOX [0,1,0,1,0,0|2,0,0]=4 4174 B12R2.24 Oc1ccc2c(c1)CCCO2 1P003NNR [0,1,0,1,0,0|2,0,0]=4 4175 B12R2.24 Oc1ccc2c(c1)CCNC2 1P001K1I [0,1,0,1,0,0|0,0,0]=2 4176 B12R2.24 Oc1ccc2c(c1)CCNC2 1P00ECWK [0,1,0,1,0,0|0,0,0]=2 4177 B12R2.24 Oc1ccc2c(c1)CCOC2 1P00CX3H [0,1,0,1,0,0|1,0,0]=3 4178 B12R2.24 Oc1ccc2c(c1)CNCC2 1P0031RY [0,1,0,1,0,0|0,0,0]=2 4179 B12R2.24 Oc1ccc2c(c1)CNCC2 1P0084Q8 [0,1,0,1,0,0|0,0,0]=2 4180 B12R2.24 Oc1ccc2c(c1)CNCC2 1P00FGV3 [0,1,0,1,0,0|0,0,0]=2 4181 B12R2.24 Oc1ccc2c(c1)COCC2 1P01DWGG [0,1,0,1,0,0|1,0,0]=3 4182 B12R2.24 Oc1ccc2c(c1)NCCC2 1P003NW6 [0,1,0,1,0,0|2,0,0]=4 4183 B12R2.24 Oc1ccc2c(c1)NCCC2 1P028ND3 [0,1,0,1,0,0|2,0,0]=4 4184 B12R2.24 Oc1ccc2c(c1)OCCC2 1P00ELRV [0,1,0,1,0,0|2,0,0]=4 4185 B12R2.24 Oc1cnc2c(c1)CCCC2 1P00EM2W [0,1,0,1,0,0|2,0,0]=4 4186 B12R2.24 Oc1ncc2c(n1)CCNC2 1P00I3VO [0,1,0,1,0,0|2,0,0]=4 4187 B12R2.24 S=C1NCc2c(S1)cccc2 1P01EZRZ [0,1,0,1,0,0|1,0,1]=4 4188 B12R2.24 SC1CCc2c(C1)cccc2 1P01AAN9 [0,1,0,1,0,0|1,0,0]=3 4189 B12R2.24 Sc1ccc2c(c1)CCCC2 1P002PCE [0,1,0,1,0,0|1,0,0]=3 4190 B12R2.24 Sc1ccc2c(n1)CCCC2 1P028H2A [0,1,0,1,0,0|2,0,0]=4 4191 B12R2.79 C[C@@H]1O[C@H]1c2ccc(cc2)Cl 1P0240RJ [0,1,0,1,0,0|2,0,0]=4 4192 B12R2.79 NC1CC1c2ccc(cc2)Br 1P009KIN [0,1,0,1,0,0|2,0,0]=4 4193 B12R2.79 NC1CC1c2ccc(cc2)F 1P00GXJG [0,1,0,1,0,0|2,0,0]=4 4194 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)Br 1P01B80U [0,1,0,1,0,0|2,0,0]=4 4195 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)C 1P01C58S [0,1,0,1,0,0|2,0,0]=4 4196 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01B802 [0,1,0,1,0,0|2,0,0]=4 4197 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)F 1P00HSX8 [0,1,0,1,0,0|2,0,0]=4 4198 B12R2.79 N[C@H]1C[C@@H]1c2ccc(cc2)F 1P002CCH [0,1,0,1,0,0|2,0,0]=4 4199 B12R2.79 N[C@H]1C[C@@H]1c2ccc(cc2)O 1P009QWY [0,1,0,1,0,0|2,0,0]=4 4200 B12R2.132 Brc1ccc2c(c1)C(=O)CC2 1P001DJO [0,1,0,1,0,0|2,0,0]=4 4201 B12R2.132 Brc1ccc2c(c1)C(Br)CC2 1P00GPRV [0,1,0,1,0,0|2,0,0]=4 4202 B12R2.132 Brc1ccc2c(c1)C(C)CO2 1P0284FO [0,1,0,1,0,0|2,0,0]=4 4203 B12R2.132 Brc1ccc2c(c1)C(N)CC2 1P00H3KK [0,1,0,1,0,0|2,0,0]=4 4204 B12R2.132 Brc1ccc2c(c1)C(O)CC2 1P00GAOJ [0,1,0,1,0,0|2,0,0]=4 4205 B12R2.132 Brc1ccc2c(c1)N(C)CC2 1P021TLR [0,1,0,1,0,0|0,0,0]=2 4206 B12R2.132 Brc1ccc2c(c1)[C@@H](N)CC2 1P009KGP [0,1,0,1,0,0|2,0,0]=4 4207 B12R2.132 Brc1ccc2c(c1)[C@@H](O)CC2 1P028HHU [0,1,0,1,0,0|2,0,0]=4 4208 B12R2.132 Brc1ccc2c(c1)[C@H](N)CC2 1P00ARDM [0,1,0,1,0,0|2,0,0]=4 4209 B12R2.132 Brc1ccc2c(c1)[C@H](O)CC2 1P024GX8 [0,1,0,1,0,0|2,0,0]=4 4210 B12R2.132 Brc1ccc2c(c1)n(C)cc2 1P000PD5 [0,1,0,1,0,0|0,0,2]=4 4211 B12R2.132 Brc1ccc2c(c1)n(C)cn2 1P00DASO [0,1,0,1,0,0|1,0,1]=4 4212 B12R2.132 Brc1ccc2c(c1)n(C)nc2 1P003NK8 [0,1,0,1,0,0|1,0,1]=4 4213 B12R2.132 Brc1ccc2c(c1)n(C)nn2 1P0094GW [0,1,0,1,0,0|2,0,0]=4 4214 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 1P002PAD [0,1,0,1,0,0|2,0,0]=4 4215 B12R2.132 Cc1ccc2c(c1)C(N)CC2 1P007BTU [0,1,0,1,0,0|2,0,0]=4 4216 B12R2.132 Cc1ccc2c(c1)C(N)CC2 1P01ABPU [0,1,0,1,0,0|2,0,0]=4 4217 B12R2.132 Cc1ccc2c(c1)C(O)CC2 1P002D7P [0,1,0,1,0,0|2,0,0]=4 4218 B12R2.132 Cc1ccc2c(c1)[C@H](N)CC2 1P01XDCZ [0,1,0,1,0,0|2,0,0]=4 4219 B12R2.132 Cc1ccc2c(c1)n(C)cn2 1P0095E1 [0,1,0,1,0,0|1,0,1]=4 4220 B12R2.132 Cc1ccc2c(c1)n(C)nc2 1P00CKUY [0,1,0,1,0,0|1,0,1]=4 4221 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 1P001DJP [0,1,0,1,0,0|2,0,0]=4 4222 B12R2.132 Clc1ccc2c(c1)C(Br)CC2 1P01A71D [0,1,0,1,0,0|2,0,0]=4 4223 B12R2.132 Clc1ccc2c(c1)C(N)CC2 1P000IRK [0,1,0,1,0,0|2,0,0]=4 4224 B12R2.132 Clc1ccc2c(c1)C(N)CC2 1P00FGUH [0,1,0,1,0,0|2,0,0]=4 4225 B12R2.132 Clc1ccc2c(c1)C(O)CC2 1P00DLYF [0,1,0,1,0,0|2,0,0]=4 4226 B12R2.132 Clc1ccc2c(c1)n(C)cc2 1P001ORK [0,1,0,1,0,0|0,0,2]=4 4227 B12R2.132 Clc1ccc2c(c1)n(C)nc2 1P008UPK [0,1,0,1,0,0|1,0,1]=4 4228 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 1P001FX5 [0,1,0,1,0,0|2,0,0]=4 4229 B12R2.132 Fc1ccc2c(c1)C(Br)CC2 1P019UAL [0,1,0,1,0,0|2,0,0]=4 4230 B12R2.132 Fc1ccc2c(c1)C(N)CC2 1P000IRJ [0,1,0,1,0,0|2,0,0]=4 4231 B12R2.132 Fc1ccc2c(c1)C(N)CC2 1P001YU9 [0,1,0,1,0,0|2,0,0]=4 4232 B12R2.132 Fc1ccc2c(c1)C(O)CC2 1P00DLC6 [0,1,0,1,0,0|2,0,0]=4 4233 B12R2.132 Fc1ccc2c(c1)N(N)CC2 1P01EKGN [0,1,0,1,0,0|1,0,0]=3 4234 B12R2.132 Fc1ccc2c(c1)[C@@H](N)CC2 1P001ATN [0,1,0,1,0,0|2,0,0]=4 4235 B12R2.132 Fc1ccc2c(c1)[C@@H](O)CC2 1P028Z3Q [0,1,0,1,0,0|2,0,0]=4 4236 B12R2.132 Fc1ccc2c(c1)[C@H](N)CC2 1P00FI1K [0,1,0,1,0,0|2,0,0]=4 4237 B12R2.132 Fc1ccc2c(c1)[C@H](O)CC2 1P02883A [0,1,0,1,0,0|2,0,0]=4 4238 B12R2.132 Fc1ccc2c(c1)n(C)cn2 1P0090WJ [0,1,0,1,0,0|1,0,1]=4 4239 B12R2.132 Fc1ccc2c(c1)n(C)nc2 1P0074X0 [0,1,0,1,0,0|1,0,1]=4 4240 B12R2.132 Ic1ccc2c(c1)C(=O)CC2 1P001DJN [0,1,0,1,0,0|2,0,0]=4 4241 B12R2.132 Ic1ccc2c(c1)n(C)nc2 1P0015HW [0,1,0,1,0,0|1,0,1]=4 4242 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 1P01FX3K [0,1,0,1,0,0|2,0,0]=4 4243 B12R2.132 Nc1ccc2c(c1)C(=O)CC2 1P005SO1 [0,1,0,1,0,0|2,0,0]=4 4244 B12R2.132 Nc1ccc2c(c1)C(=O)CC2 1P027Y89 [0,1,0,1,0,0|2,0,0]=4 4245 B12R2.132 Nc1ccc2c(c1)N(C)CC2 1P0092UI [0,1,0,1,0,0|0,0,0]=2 4246 B12R2.132 Nc1ccc2c(c1)n(C)cc2 1P003NIS [0,1,0,1,0,0|0,0,2]=4 4247 B12R2.132 Nc1ccc2c(c1)n(C)cc2 1P01AY10 [0,1,0,1,0,0|0,0,2]=4 4248 B12R2.132 Nc1ccc2c(c1)n(C)cn2 1P002U1J [0,1,0,1,0,0|1,0,1]=4 4249 B12R2.132 Nc1ccc2c(c1)n(C)cn2 1P00J46V [0,1,0,1,0,0|1,0,1]=4 4250 B12R2.132 Nc1ccc2c(c1)n(C)nc2 1P005A63 [0,1,0,1,0,0|1,0,1]=4 4251 B12R2.132 Nc1ccc2c(c1)n(C)nn2 1P00BLH7 [0,1,0,1,0,0|2,0,0]=4 4252 B12R2.132 Oc1ccc2c(c1)C(=O)CC2 1P003NP0 [0,1,0,1,0,0|2,0,0]=4 4253 B12R2.132 Oc1ccc2c(c1)C(N)CC2 1P001YUA [0,1,0,1,0,0|2,0,0]=4 4254 B12R2.132 Oc1ccc2c(c1)[C@@H](N)CC2 1P01DYKI [0,1,0,1,0,0|2,0,0]=4 4255 B12R2.132 Oc1ccc2c(c1)[C@H](N)CC2 1P001YXE [0,1,0,1,0,0|2,0,0]=4 4256 B12R2.132 Oc1ccc2c(c1)n(C)cc2 1P009JME [0,1,0,1,0,0|0,0,2]=4 4257 B12R2.132 Oc1ccc2c(c1)n(C)cn2 1P00DWWE [0,1,0,1,0,0|1,0,1]=4 4258 B12R2.132 Oc1ccc2c(c1)n(C)nc2 1P008URG [0,1,0,1,0,0|1,0,1]=4 4259 B12R2.132 Oc1ccc2c(c1)n(C)nn2 1P0285AQ [0,1,0,1,0,0|2,0,0]=4 4260 B12R2.294 Brc1ccc(cc1)CC2CC2 1P021PUP [0,1,0,1,0,0|1,0,0]=3 4261 B12R2.294 Brc1ccc(cc1)CC2OC2 1P0291N1 [0,1,0,1,0,0|1,0,0]=3 4262 B12R2.294 Brc1ccc(cc1)NC2CC2 1P01BEF9 [0,1,0,1,0,0|2,0,0]=4 4263 B12R2.294 Brc1ccc(cc1)OC2CC2 1P00BYEN [0,1,0,1,0,0|2,0,0]=4 4264 B12R2.294 Fc1ccc(cc1)CC2OC2 1P01AMTE [0,1,0,1,0,0|1,0,0]=3 4265 B12R2.294 Fc1ccc(cc1)NC2CC2 1P0080TK [0,1,0,1,0,0|2,0,0]=4 4266 B12R2.294 Nc1ccc(cc1)OC2CC2 1P027XAZ [0,1,0,1,0,0|2,0,0]=4 4267 B12R2.294 Oc1ccc(cc1)CC2N=N2 1P028BZF [0,1,0,1,0,0|1,0,1]=4 4268 B12R2.294 Oc1ccc(cc1)OC2CC2 1P01B2ZO [0,1,0,1,0,0|2,0,0]=4 4269 B12R2.294 Sc1ccc(cc1)OC2CC2 1P01AG2Y [0,1,0,1,0,0|2,0,0]=4 4270 B12R2.1728 NCC1Cc2c1cc(cc2)Br 1P027UW6 [0,1,0,1,0,0|2,0,0]=4 4271 B12R2.2302 Brc1ccc(cc1)C2CCC2 1P00CNTI [0,1,0,1,0,0|1,0,0]=3 4272 B12R2.2302 Brc1ccc(cc1)C2CCN2 1P009W5L [0,1,0,1,0,0|2,0,0]=4 4273 B12R2.2302 Brc1ccc(cc1)C2CCN2 1P02013E [0,1,0,1,0,0|2,0,0]=4 4274 B12R2.2302 Brc1ccc(cc1)C2CCO2 1P01BACK [0,1,0,1,0,0|2,0,0]=4 4275 B12R2.2302 Brc1ccc(cc1)C2CNC2 1P00IGNV [0,1,0,1,0,0|0,0,0]=2 4276 B12R2.2302 Brc1ccc(cc1)C2COC2 1P00A0FW [0,1,0,1,0,0|1,0,0]=3 4277 B12R2.2302 Brc1ccc(cc1)N2CCC2 1P01XBZ2 [0,1,0,1,0,0|2,0,0]=4 4278 B12R2.2302 Brc1ccc(cn1)C2CCC2 1P01BRI7 [0,1,0,1,0,0|2,0,0]=4 4279 B12R2.2302 Brc1ccc(cn1)C2CNC2 1P028GJC [0,1,0,1,0,0|1,0,0]=3 4280 B12R2.2302 Brc1ccc(nc1)C2CCC2 1P009MDM [0,1,0,1,0,0|2,0,0]=4 4281 B12R2.2302 Brc1ccc(nc1)C2CNC2 1P01B8I2 [0,1,0,1,0,0|1,0,0]=3 4282 B12R2.2302 Brc1ccc(nc1)C2CNC2 1P028YX0 [0,1,0,1,0,0|1,0,0]=3 4283 B12R2.2302 Brc1ccc(nc1)C2COC2 1P021Z9L [0,1,0,1,0,0|2,0,0]=4 4284 B12R2.2302 Brc1cnc(nc1)C2CNC2 1P01BSIL [0,1,0,1,0,0|2,0,0]=4 4285 B12R2.2302 Cc1ccc(cc1)C2CCN2 1P0290MN [0,1,0,1,0,0|2,0,0]=4 4286 B12R2.2302 Cc1ccc(cc1)C2CNC2 1P028VQ1 [0,1,0,1,0,0|0,0,0]=2 4287 B12R2.2302 Clc1ccc(cc1)C2CCN2 1P019SM6 [0,1,0,1,0,0|2,0,0]=4 4288 B12R2.2302 Clc1ccc(cc1)C2CCN2 1P01AECY [0,1,0,1,0,0|2,0,0]=4 4289 B12R2.2302 Clc1ccc(cc1)C2CNC2 1P00ID5T [0,1,0,1,0,0|0,0,0]=2 4290 B12R2.2302 Clc1ccc(cc1)C2CNC2 1P01C1VP [0,1,0,1,0,0|0,0,0]=2 4291 B12R2.2302 Clc1ccc(nc1)C2CNC2 1P01FKT9 [0,1,0,1,0,0|1,0,0]=3 4292 B12R2.2302 Fc1ccc(cc1)C2CCN2 1P005WY4 [0,1,0,1,0,0|2,0,0]=4 4293 B12R2.2302 Fc1ccc(cc1)C2CNC2 1P00HFW3 [0,1,0,1,0,0|0,0,0]=2 4294 B12R2.2302 Fc1ccc(cn1)C2CNC2 1P028N07 [0,1,0,1,0,0|1,0,0]=3 4295 B12R2.2302 Ic1ccc(cc1)C2CCC2 1P022LHT [0,1,0,1,0,0|1,0,0]=3 4296 B12R2.2302 Nc1ccc(cc1)C2CCC2 1P01ADBG [0,1,0,1,0,0|1,0,0]=3 4297 B12R2.2302 Nc1ccc(cc1)C2CCC2 1P01L0AD [0,1,0,1,0,0|1,0,0]=3 4298 B12R2.2302 Nc1ccc(cc1)C2COC2 1P0017D3 [0,1,0,1,0,0|1,0,0]=3 4299 B12R2.2302 Nc1ccc(cc1)N2CCC2 1P00BYG4 [0,1,0,1,0,0|2,0,0]=4 4300 B12R2.2302 Nc1ccc(cn1)C2CCC2 1P01AMU3 [0,1,0,1,0,0|2,0,0]=4 4301 B12R2.2302 Nc1ccc(cn1)C2COC2 1P0201BI [0,1,0,1,0,0|2,0,0]=4 4302 B12R2.2302 Oc1ccc(cc1)C2CCC2 1P01AD1O [0,1,0,1,0,0|1,0,0]=3 4303 B12R2.2302 Oc1ccc(cc1)C2CNC2 1P01QIOX [0,1,0,1,0,0|0,0,0]=2 4304 B12R2.2 C1CCC(C1)c2cccnc2 1P0053X8 [0,1,0,1,0,0|2,0,0]=4 4305 B12R2.2 C1CCN(C1)c2ccccc2 1P00BXVT [0,1,0,1,0,0|1,0,0]=3 4306 B12R2.2 C1CCN(C1)c2ccccn2 1P00DLMK [0,1,0,1,0,0|2,0,0]=4 4307 B12R2.2 C1CCN(C1)c2ccncc2 1P002P0I [0,1,0,1,0,0|2,0,0]=4 4308 B12R2.2 C1CNC(C1)c2ccccc2 1P0002WI [0,1,0,1,0,0|1,0,0]=3 4309 B12R2.2 C1CNC(C1)c2ccccn2 1P00373R [0,1,0,1,0,0|2,0,0]=4 4310 B12R2.2 C1CNC(C1)c2cccnc2 1P00IAPC [0,1,0,1,0,0|2,0,0]=4 4311 B12R2.2 C1CNC(C1)c2ccncc2 1P000YNE [0,1,0,1,0,0|2,0,0]=4 4312 B12R2.2 C1CNC(C1)c2ccncc2 1P028R7Z [0,1,0,1,0,0|2,0,0]=4 4313 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P0037LI [0,1,0,1,0,0|1,0,0]=3 4314 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P00EIWN [0,1,0,1,0,0|1,0,0]=3 4315 B12R2.2 C1CN[C@@H](C1)c2ccccn2 1P00BI8S [0,1,0,1,0,0|2,0,0]=4 4316 B12R2.2 C1CN[C@@H](C1)c2ccccn2 1P01DE4D [0,1,0,1,0,0|2,0,0]=4 4317 B12R2.2 C1CN[C@@H](C1)c2cccnc2 1P00DC6C [0,1,0,1,0,0|2,0,0]=4 4318 B12R2.2 C1CN[C@@H](C1)c2cccnc2 1P00IN4F [0,1,0,1,0,0|2,0,0]=4 4319 B12R2.2 C1CN[C@@H](C1)c2ccncc2 1P020LS1 [0,1,0,1,0,0|2,0,0]=4 4320 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P0037IN [0,1,0,1,0,0|1,0,0]=3 4321 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P00EKMJ [0,1,0,1,0,0|1,0,0]=3 4322 B12R2.2 C1CN[C@H](C1)c2ccccn2 1P00IN42 [0,1,0,1,0,0|2,0,0]=4 4323 B12R2.2 C1CN[C@H](C1)c2cccnc2 1P00FHQ3 [0,1,0,1,0,0|2,0,0]=4 4324 B12R2.2 C1CN[C@H](C1)c2cccnc2 1P00I5U9 [0,1,0,1,0,0|2,0,0]=4 4325 B12R2.2 C1CN[C@H](C1)c2ccncc2 1P003UIU [0,1,0,1,0,0|2,0,0]=4 4326 B12R2.2 C1COC(C1)c2ccccc2 1P001STW [0,1,0,1,0,0|1,0,0]=3 4327 B12R2.2 C1COC(O1)c2ccccc2 1P003IBH [0,1,0,1,0,0|2,0,0]=4 4328 B12R2.2 C1CSC(C1)c2cccnc2 1P004XKW [0,1,0,1,0,0|2,0,0]=4 4329 B12R2.2 C1CSC(N1)c2ccccc2 1P006ZA0 [0,1,0,1,0,0|2,0,0]=4 4330 B12R2.2 C1NCC(C1)c2ccccc2 1P003A3E [0,1,0,1,0,0|0,0,0]=2 4331 B12R2.2 C1NCC(C1)c2ccccc2 1P00GSPY [0,1,0,1,0,0|0,0,0]=2 4332 B12R2.2 C1NCC(C1)c2ccccn2 1P001MXE [0,1,0,1,0,0|1,0,0]=3 4333 B12R2.2 C1NCC(C1)c2ccccn2 1P009A8H [0,1,0,1,0,0|1,0,0]=3 4334 B12R2.2 C1NCC(C1)c2ccccn2 1P01EJJF [0,1,0,1,0,0|1,0,0]=3 4335 B12R2.2 C1NCC(C1)c2cccnc2 1P001MXD [0,1,0,1,0,0|1,0,0]=3 4336 B12R2.2 C1NCC(C1)c2cccnc2 1P00EKGP [0,1,0,1,0,0|1,0,0]=3 4337 B12R2.2 C1NCC(C1)c2cccnn2 1P02808G [0,1,0,1,0,0|2,0,0]=4 4338 B12R2.2 C1NCC(C1)c2ccncc2 1P001MXC [0,1,0,1,0,0|1,0,0]=3 4339 B12R2.2 C1NCC(C1)c2cnccn2 1P01EJJI [0,1,0,1,0,0|2,0,0]=4 4340 B12R2.2 C1NCC(C1)c2cncnc2 1P01P6ET [0,1,0,1,0,0|2,0,0]=4 4341 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P008SNV [0,1,0,1,0,0|0,0,0]=2 4342 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P00F5WR [0,1,0,1,0,0|0,0,0]=2 4343 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00F5E7 [0,1,0,1,0,0|0,0,0]=2 4344 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00G3DZ [0,1,0,1,0,0|0,0,0]=2 4345 B12R2.2 N1=CCC(N1)c2ccccc2 1P01BNKM [0,1,0,1,0,0|1,0,1]=4 4346 B12R2.2 N1CC=C(C1)c2ccccc2 1P01A4QJ [0,1,0,1,0,0|0,0,1]=3 4347 B12R2.2 O1CC[C@H](N1)c2ccccc2 1P01KZLY [0,1,0,1,0,0|2,0,0]=4 4348 B12R2.2 c1ccc(cc1)C2=CCCC2 1P008JAV [0,1,0,1,0,0|1,0,1]=4 4349 B12R2.2 c1ccc(cc1)C2=NCCC2 1P005M0Z [0,1,0,1,0,0|1,0,1]=4 4350 B12R2.2 c1ccc(nc1)C2=CCNC2 1P01DXBX [0,1,0,1,0,0|1,0,1]=4 4351 B12R2.22 BrC1CC(C1)c2ccccc2 1P0291Y1 [0,1,0,1,0,0|1,0,0]=3 4352 B12R2.22 BrC1CN(C1)c2ccccc2 1P028UAG [0,1,0,1,0,0|2,0,0]=4 4353 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [0,1,0,1,0,0|1,0,0]=3 4354 B12R2.22 NC1CC(C1)c2ccccc2 1P00IGS9 [0,1,0,1,0,0|1,0,0]=3 4355 B12R2.22 NC1CC(C1)c2ccccc2 1P01AAW6 [0,1,0,1,0,0|1,0,0]=3 4356 B12R2.22 NC1CC(C1)c2cccnc2 1P019FV1 [0,1,0,1,0,0|2,0,0]=4 4357 B12R2.22 NC1CN(C1)c2ccccc2 1P002AOP [0,1,0,1,0,0|2,0,0]=4 4358 B12R2.22 NC1CN(C1)c2ccccc2 1P01DYH8 [0,1,0,1,0,0|2,0,0]=4 4359 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P00CIY6 [0,1,0,1,0,0|1,0,0]=3 4360 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCEE [0,1,0,1,0,0|1,0,0]=3 4361 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P001PMC [0,1,0,1,0,0|1,0,0]=3 4362 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P01B816 [0,1,0,1,0,0|1,0,0]=3 4363 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [0,1,0,1,0,0|1,0,0]=3 4364 B12R2.22 O=C1CC(C1)c2ccncc2 1P01AN9O [0,1,0,1,0,0|2,0,0]=4 4365 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [0,1,0,1,0,0|2,0,0]=4 4366 B12R2.22 OC1CC(C1)c2ccccc2 1P01A0RI [0,1,0,1,0,0|1,0,0]=3 4367 B12R2.22 OC1CN(C1)c2ccccc2 1P00G9PC [0,1,0,1,0,0|2,0,0]=4 4368 B12R2.22 O[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCCJ [0,1,0,1,0,0|1,0,0]=3 4369 B12R2.22 O[C@@H]1C[C@H](C1)c2ccccc2 1P01BFP2 [0,1,0,1,0,0|1,0,0]=3 4370 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 1P023T5T [0,1,0,1,0,0|1,0,0]=3 4371 B12R2.27 C#C[C@@H]1C[C@H]1c2ccccc2 1P01K0VJ [0,1,0,1,0,0|1,0,1]=4 4372 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [0,1,0,1,0,0|0,0,0]=2 4373 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [0,1,0,1,0,0|0,0,0]=2 4374 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [0,1,0,1,0,0|0,0,0]=2 4375 B12R2.27 N#CC1CC1c2ccccc2 1P00I91M [0,1,0,1,0,0|1,0,1]=4 4376 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P00DLCK [0,1,0,1,0,0|1,0,1]=4 4377 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P024KON [0,1,0,1,0,0|1,0,1]=4 4378 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 1P01C5EC [0,1,0,1,0,0|1,0,0]=3 4379 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 1P01C5FJ [0,1,0,1,0,0|1,0,0]=3 4380 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [0,1,0,1,0,0|1,0,1]=4 4381 B12R2.27 OCC1CC1c2ccccc2 1P00IBDY [0,1,0,1,0,0|1,0,0]=3 4382 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [0,1,0,1,0,0|2,0,0]=4 4383 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 1P00034F [0,1,0,1,0,0|1,0,0]=3 4384 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 1P00HAW2 [0,1,0,1,0,0|1,0,0]=3 4385 B12R2.116 CC1(CCN1)c2ccccc2 1P028II4 [0,1,0,1,0,0|2,0,0]=4 4386 B12R2.116 CC1(CNC1)c2ccccc2 1P00VV9A [0,1,0,1,0,0|0,0,0]=2 4387 B12R2.116 FC1(CNC1)c2ccccc2 1P01ACHT [0,1,0,1,0,0|0,0,0]=2 4388 B12R2.116 FC1(CNC1)c2ccccn2 1P028U5Z [0,1,0,1,0,0|1,0,0]=3 4389 B12R2.116 FC1(CNC1)c2cccnc2 1P02824S [0,1,0,1,0,0|1,0,0]=3 4390 B12R2.116 FC1(CNC1)c2cccnc2 1P0286WK [0,1,0,1,0,0|1,0,0]=3 4391 B12R2.116 FC1(CNC1)c2ccncc2 1P028O57 [0,1,0,1,0,0|1,0,0]=3 4392 B12R2.116 NC1(CCC1)c2ccccc2 1P001ZOI [0,1,0,1,0,0|1,0,0]=3 4393 B12R2.116 NC1(CCC1)c2ccccc2 1P003F30 [0,1,0,1,0,0|1,0,0]=3 4394 B12R2.116 NC1(CCC1)c2cccnc2 1P028KLF [0,1,0,1,0,0|2,0,0]=4 4395 B12R2.116 NC1(CCC1)c2ccncc2 1P01B6MC [0,1,0,1,0,0|2,0,0]=4 4396 B12R2.116 NC1(CCC1)c2ccncc2 1P021KSH [0,1,0,1,0,0|2,0,0]=4 4397 B12R2.116 NC1(COC1)c2ccccc2 1P003AM6 [0,1,0,1,0,0|1,0,0]=3 4398 B12R2.116 NC1(COC1)c2ccccc2 1P009ZA5 [0,1,0,1,0,0|1,0,0]=3 4399 B12R2.116 NC1(COC1)c2ccccn2 1P019GWF [0,1,0,1,0,0|2,0,0]=4 4400 B12R2.116 NC1(COC1)c2cccnc2 1P002DGK [0,1,0,1,0,0|2,0,0]=4 4401 B12R2.116 O=P1(CCC1)c2ccccc2 1P028MQ7 [0,1,0,1,0,0|2,0,0]=4 4402 B12R2.116 OC1(CCC1)c2ccccc2 1P01A1WT [0,1,0,1,0,0|1,0,0]=3 4403 B12R2.116 OC1(CCC1)c2ccccn2 1P028ANI [0,1,0,1,0,0|2,0,0]=4 4404 B12R2.116 OC1(CCC1)c2cccnc2 1P01B38Z [0,1,0,1,0,0|2,0,0]=4 4405 B12R2.116 OC1(CNC1)c2ccccc2 1P00BIFC [0,1,0,1,0,0|0,0,0]=2 4406 B12R2.116 OC1(CNC1)c2ccccc2 1P00DKZ2 [0,1,0,1,0,0|0,0,0]=2 4407 B12R2.116 OC1(CNC1)c2ccccc2 1P01B23K [0,1,0,1,0,0|0,0,0]=2 4408 B12R2.116 OC1(CNC1)c2cccnc2 1P028NFA [0,1,0,1,0,0|1,0,0]=3 4409 B12R2.116 OC1(CNC1)c2ccncn2 1P028V3F [0,1,0,1,0,0|2,0,0]=4 4410 B12R2.116 OC1(COC1)c2ccccc2 1P005H3J [0,1,0,1,0,0|1,0,0]=3 4411 B12R2.116 OC1(COC1)c2ccccn2 1P0284WK [0,1,0,1,0,0|2,0,0]=4 4412 B12R2.116 OC1(COC1)c2cccnc2 1P01B71X [0,1,0,1,0,0|2,0,0]=4 4413 B12R2.235 NC1CC1(C)c2ccccc2 1P01ALHJ [0,1,0,1,0,0|2,0,0]=4 4414 B12R2.235 NC1CC1(F)c2ccccc2 1P01C4GI [0,1,0,1,0,0|2,0,0]=4 4415 B12R2.1081 Brc1cccc2c1CCCC2 1P00EKH5 [0,1,0,1,0,0|1,0,0]=3 4416 B12R2.1081 Brc1cccc2c1CCCN2 1P000FLR [0,1,0,1,0,0|2,0,0]=4 4417 B12R2.1081 Brc1cccc2c1CCCN2 1P007WRD [0,1,0,1,0,0|2,0,0]=4 4418 B12R2.1081 Brc1cccc2c1CCCO2 1P00CATB [0,1,0,1,0,0|2,0,0]=4 4419 B12R2.1081 Brc1cccc2c1CCNC2 1P0037E3 [0,1,0,1,0,0|0,0,0]=2 4420 B12R2.1081 Brc1cccc2c1CCNC2 1P003MW2 [0,1,0,1,0,0|0,0,0]=2 4421 B12R2.1081 Brc1cccc2c1CCOC2 1P00ANPK [0,1,0,1,0,0|1,0,0]=3 4422 B12R2.1081 Brc1cccc2c1CNCC2 1P000HQ5 [0,1,0,1,0,0|0,0,0]=2 4423 B12R2.1081 Brc1cccc2c1CNCC2 1P00G3JM [0,1,0,1,0,0|0,0,0]=2 4424 B12R2.1081 Brc1cccc2c1COCC2 1P00IDVH [0,1,0,1,0,0|1,0,0]=3 4425 B12R2.1081 Brc1cccc2c1NCCC2 1P00GTC4 [0,1,0,1,0,0|2,0,0]=4 4426 B12R2.1081 Brc1cccc2c1NCCC2 1P01A8UP [0,1,0,1,0,0|2,0,0]=4 4427 B12R2.1081 Brc1cccc2c1OCCC2 1P00CNCI [0,1,0,1,0,0|2,0,0]=4 4428 B12R2.1081 Brc1cccc2c1SCCC2 1P028R8P [0,1,0,1,0,0|2,0,0]=4 4429 B12R2.1081 Brc1ccnc2c1CCNC2 1P01B5MZ [0,1,0,1,0,0|1,0,0]=3 4430 B12R2.1081 Brc1ccnc2c1CNCC2 1P01C5EW [0,1,0,1,0,0|1,0,0]=3 4431 B12R2.1081 Brc1cncc2c1CCCC2 1P00G4OT [0,1,0,1,0,0|2,0,0]=4 4432 B12R2.1081 Brc1nccc2c1CCCC2 1P00DQGK [0,1,0,1,0,0|2,0,0]=4 4433 B12R2.1081 CC1=NCCc2c1cccc2 1P002SQB [0,1,0,1,0,0|0,0,1]=3 4434 B12R2.1081 CC1=NCCc2c1cccc2 1P00BJJ1 [0,1,0,1,0,0|0,0,1]=3 4435 B12R2.1081 CC1=NCCc2c1cccn2 1P000I20 [0,1,0,1,0,0|1,0,1]=4 4436 B12R2.1081 CC1CCNc2c1cccc2 1P0034K9 [0,1,0,1,0,0|1,0,0]=3 4437 B12R2.1081 CC1CCNc2c1cccc2 1P00FXDA [0,1,0,1,0,0|1,0,0]=3 4438 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZO [0,1,0,1,0,0|0,0,0]=2 4439 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZP [0,1,0,1,0,0|0,0,0]=2 4440 B12R2.1081 CC1NCCc2c1cccc2 1P003EXJ [0,1,0,1,0,0|0,0,0]=2 4441 B12R2.1081 CC1NCCc2c1cccc2 1P008ZIA [0,1,0,1,0,0|0,0,0]=2 4442 B12R2.1081 CC1NCCc2c1cccn2 1P024ZMQ [0,1,0,1,0,0|1,0,0]=3 4443 B12R2.1081 CC1NCCc2c1cncc2 1P01EIG8 [0,1,0,1,0,0|1,0,0]=3 4444 B12R2.1081 CN1CCCc2c1cccc2 1P00I9AM [0,1,0,1,0,0|0,0,0]=2 4445 B12R2.1081 CN1CCNc2c1cccc2 1P000R40 [0,1,0,1,0,0|0,0,0]=2 4446 B12R2.1081 CN1CCNc2c1cccc2 1P00CJBM [0,1,0,1,0,0|0,0,0]=2 4447 B12R2.1081 CN1CCNc2c1cccn2 1P01KLMH [0,1,0,1,0,0|1,0,0]=3 4448 B12R2.1081 CN1CCNc2c1ccnc2 1P019ZEG [0,1,0,1,0,0|1,0,0]=3 4449 B12R2.1081 CN1CCNc2c1nccc2 1P00GTX6 [0,1,0,1,0,0|1,0,0]=3 4450 B12R2.1081 CN1CCNc2c1ncnc2 1P01EJIV [0,1,0,1,0,0|2,0,0]=4 4451 B12R2.1081 CN1CCNc2c1ncnc2 1P028Q5Y [0,1,0,1,0,0|2,0,0]=4 4452 B12R2.1081 CN1CCOc2c1cccc2 1P0057CM [0,1,0,1,0,0|0,0,0]=2 4453 B12R2.1081 C[C@@H]1CNCc2c1cccc2 1P01DIHO [0,1,0,1,0,0|0,0,0]=2 4454 B12R2.1081 C[C@@H]1NCCc2c1cccc2 1P00EKIC [0,1,0,1,0,0|0,0,0]=2 4455 B12R2.1081 C[C@H]1CNCc2c1cccc2 1P00I7EK [0,1,0,1,0,0|0,0,0]=2 4456 B12R2.1081 C[C@H]1NCCc2c1cccc2 1P00G8PU [0,1,0,1,0,0|0,0,0]=2 4457 B12R2.1081 Cc1cccc2c1CCCC2 1P00BEW2 [0,1,0,1,0,0|1,0,0]=3 4458 B12R2.1081 Cc1cccc2c1CCCN2 1P008FUF [0,1,0,1,0,0|2,0,0]=4 4459 B12R2.1081 Cc1cccc2c1CCCN2 1P00ELF6 [0,1,0,1,0,0|2,0,0]=4 4460 B12R2.1081 Cc1cccc2c1CCNC2 1P000LAV [0,1,0,1,0,0|0,0,0]=2 4461 B12R2.1081 Cc1cccc2c1CCNC2 1P00D7CM [0,1,0,1,0,0|0,0,0]=2 4462 B12R2.1081 Cc1cccc2c1CNCC2 1P000UAN [0,1,0,1,0,0|0,0,0]=2 4463 B12R2.1081 Cc1cccc2c1NCCC2 1P00D8ME [0,1,0,1,0,0|2,0,0]=4 4464 B12R2.1081 Cc1cccc2c1OCCC2 1P00CNDQ [0,1,0,1,0,0|2,0,0]=4 4465 B12R2.1081 Cc1ncnc2c1CNCC2 1P028J6O [0,1,0,1,0,0|2,0,0]=4 4466 B12R2.1081 ClC1CCCc2c1cccc2 1P003ENQ [0,1,0,1,0,0|1,0,0]=3 4467 B12R2.1081 ClC1CCCc2c1cncc2 1P02856C [0,1,0,1,0,0|2,0,0]=4 4468 B12R2.1081 ClC1CCCc2c1nccc2 1P01BSPJ [0,1,0,1,0,0|2,0,0]=4 4469 B12R2.1081 ClC1CCOc2c1cccc2 1P01AGGD [0,1,0,1,0,0|2,0,0]=4 4470 B12R2.1081 Clc1cccc2c1CCCN2 1P00390A [0,1,0,1,0,0|2,0,0]=4 4471 B12R2.1081 Clc1cccc2c1CCNC2 1P00FDOG [0,1,0,1,0,0|0,0,0]=2 4472 B12R2.1081 Clc1cccc2c1CCNC2 1P00G32F [0,1,0,1,0,0|0,0,0]=2 4473 B12R2.1081 Clc1cccc2c1CNCC2 1P00EA8E [0,1,0,1,0,0|0,0,0]=2 4474 B12R2.1081 Clc1cccc2c1CNCC2 1P00G82W [0,1,0,1,0,0|0,0,0]=2 4475 B12R2.1081 Clc1cccc2c1NCCC2 1P00IGNX [0,1,0,1,0,0|2,0,0]=4 4476 B12R2.1081 Clc1cccc2c1NCCC2 1P01ABG9 [0,1,0,1,0,0|2,0,0]=4 4477 B12R2.1081 Clc1cccc2c1OCCC2 1P007AMV [0,1,0,1,0,0|2,0,0]=4 4478 B12R2.1081 Clc1ccnc2c1CCCC2 1P0014P3 [0,1,0,1,0,0|2,0,0]=4 4479 B12R2.1081 Clc1nccc2c1CCCC2 1P00I9ID [0,1,0,1,0,0|2,0,0]=4 4480 B12R2.1081 Clc1nccc2c1CCNC2 1P01ELM0 [0,1,0,1,0,0|1,0,0]=3 4481 B12R2.1081 Clc1nccc2c1CNCC2 1P01FJ56 [0,1,0,1,0,0|1,0,0]=3 4482 B12R2.1081 Clc1nccc2c1CNCC2 1P028S8M [0,1,0,1,0,0|1,0,0]=3 4483 B12R2.1081 Clc1ncnc2c1CCNC2 1P027YBA [0,1,0,1,0,0|2,0,0]=4 4484 B12R2.1081 Clc1ncnc2c1CNCC2 1P028XZQ [0,1,0,1,0,0|2,0,0]=4 4485 B12R2.1081 Fc1cccc2c1CCCN2 1P007FEO [0,1,0,1,0,0|2,0,0]=4 4486 B12R2.1081 Fc1cccc2c1CCNC2 1P005FEK [0,1,0,1,0,0|0,0,0]=2 4487 B12R2.1081 Fc1cccc2c1CCNC2 1P00CLFK [0,1,0,1,0,0|0,0,0]=2 4488 B12R2.1081 Fc1cccc2c1CNCC2 1P00HF1L [0,1,0,1,0,0|0,0,0]=2 4489 B12R2.1081 Fc1cccc2c1NCCC2 1P00GAQ7 [0,1,0,1,0,0|2,0,0]=4 4490 B12R2.1081 Fc1cccc2c1NCCC2 1P019XST [0,1,0,1,0,0|2,0,0]=4 4491 B12R2.1081 Ic1cccc2c1CCCC2 1P00EKHA [0,1,0,1,0,0|1,0,0]=3 4492 B12R2.1081 Ic1cccc2c1CCCN2 1P028C3X [0,1,0,1,0,0|2,0,0]=4 4493 B12R2.1081 N=c1[nH]ccc2c1CCCC2 1P00G65D [0,1,0,1,0,0|2,0,0]=4 4494 B12R2.1081 NC1CCCc2c1cccc2 1P003DQN [0,1,0,1,0,0|1,0,0]=3 4495 B12R2.1081 NC1CCCc2c1cccc2 1P00D00F [0,1,0,1,0,0|1,0,0]=3 4496 B12R2.1081 NC1CCCc2c1cccn2 1P0092ZZ [0,1,0,1,0,0|2,0,0]=4 4497 B12R2.1081 NC1CCCc2c1cccn2 1P00FCBU [0,1,0,1,0,0|2,0,0]=4 4498 B12R2.1081 NC1CCCc2c1ccnc2 1P00DK9C [0,1,0,1,0,0|2,0,0]=4 4499 B12R2.1081 NC1CCCc2c1ccnc2 1P01JJ17 [0,1,0,1,0,0|2,0,0]=4 4500 B12R2.1081 NC1CCCc2c1nccc2 1P003NY3 [0,1,0,1,0,0|2,0,0]=4 4501 B12R2.1081 NC1CCCc2c1nccc2 1P00928G [0,1,0,1,0,0|2,0,0]=4 4502 B12R2.1081 NC1CCNc2c1cccc2 1P00G36C [0,1,0,1,0,0|2,0,0]=4 4503 B12R2.1081 NC1CCNc2c1cccc2 1P00G8MZ [0,1,0,1,0,0|2,0,0]=4 4504 B12R2.1081 NC1CCOc2c1cccc2 1P0037S6 [0,1,0,1,0,0|2,0,0]=4 4505 B12R2.1081 NC1CCOc2c1cccc2 1P003L7W [0,1,0,1,0,0|2,0,0]=4 4506 B12R2.1081 NC1CCSc2c1cccc2 1P00AMT3 [0,1,0,1,0,0|2,0,0]=4 4507 B12R2.1081 NC1COCc2c1cccc2 1P000HO8 [0,1,0,1,0,0|1,0,0]=3 4508 B12R2.1081 NC1COCc2c1cccc2 1P007KJZ [0,1,0,1,0,0|1,0,0]=3 4509 B12R2.1081 NC1COCc2c1nccc2 1P028YDK [0,1,0,1,0,0|2,0,0]=4 4510 B12R2.1081 NC1CSCc2c1cccc2 1P019Y83 [0,1,0,1,0,0|1,0,0]=3 4511 B12R2.1081 NN1CCCc2c1cccc2 1P00ED9I [0,1,0,1,0,0|1,0,0]=3 4512 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P003CIU [0,1,0,1,0,0|1,0,0]=3 4513 B12R2.1081 N[C@@H]1CCCc2c1cccc2 1P00C7GV [0,1,0,1,0,0|1,0,0]=3 4514 B12R2.1081 N[C@@H]1CCCc2c1nccc2 1P007D0E [0,1,0,1,0,0|2,0,0]=4 4515 B12R2.1081 N[C@@H]1CCCc2c1nccc2 1P009KFR [0,1,0,1,0,0|2,0,0]=4 4516 B12R2.1081 N[C@@H]1CCOc2c1cccc2 1P002L9X [0,1,0,1,0,0|2,0,0]=4 4517 B12R2.1081 N[C@@H]1CCOc2c1cccc2 1P003CRS [0,1,0,1,0,0|2,0,0]=4 4518 B12R2.1081 N[C@@H]1COCc2c1cccc2 1P0289U3 [0,1,0,1,0,0|1,0,0]=3 4519 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P003CWB [0,1,0,1,0,0|1,0,0]=3 4520 B12R2.1081 N[C@H]1CCCc2c1cccc2 1P00C09F [0,1,0,1,0,0|1,0,0]=3 4521 B12R2.1081 N[C@H]1CCCc2c1nccc2 1P007D0D [0,1,0,1,0,0|2,0,0]=4 4522 B12R2.1081 N[C@H]1CCCc2c1nccc2 1P00GUH3 [0,1,0,1,0,0|2,0,0]=4 4523 B12R2.1081 N[C@H]1CCOc2c1cccc2 1P002H7Y [0,1,0,1,0,0|2,0,0]=4 4524 B12R2.1081 N[C@H]1CCOc2c1cccc2 1P003D30 [0,1,0,1,0,0|2,0,0]=4 4525 B12R2.1081 N[C@H]1COCc2c1cccc2 1P028YF6 [0,1,0,1,0,0|1,0,0]=3 4526 B12R2.1081 Nc1cccc2c1CCCC2 1P0034MP [0,1,0,1,0,0|1,0,0]=3 4527 B12R2.1081 Nc1cccc2c1CCCN2 1P00CLH4 [0,1,0,1,0,0|2,0,0]=4 4528 B12R2.1081 Nc1cccc2c1CCCO2 1P00DMCJ [0,1,0,1,0,0|2,0,0]=4 4529 B12R2.1081 Nc1cccc2c1CCCO2 1P01DIL9 [0,1,0,1,0,0|2,0,0]=4 4530 B12R2.1081 Nc1cccc2c1CCNC2 1P000HOP [0,1,0,1,0,0|0,0,0]=2 4531 B12R2.1081 Nc1cccc2c1CCNC2 1P0091II [0,1,0,1,0,0|0,0,0]=2 4532 B12R2.1081 Nc1cccc2c1CCOC2 1P028FJY [0,1,0,1,0,0|1,0,0]=3 4533 B12R2.1081 Nc1cccc2c1CNCC2 1P00H1GI [0,1,0,1,0,0|0,0,0]=2 4534 B12R2.1081 Nc1cccc2c1CNNC2 1P01BVF6 [0,1,0,1,0,0|1,0,0]=3 4535 B12R2.1081 Nc1cccc2c1COCC2 1P01B7EJ [0,1,0,1,0,0|1,0,0]=3 4536 B12R2.1081 Nc1cccc2c1NCCC2 1P00D9AU [0,1,0,1,0,0|2,0,0]=4 4537 B12R2.1081 Nc1cccc2c1OCCC2 1P00932Z [0,1,0,1,0,0|2,0,0]=4 4538 B12R2.1081 Nc1cccc2c1OCCC2 1P01ACLC [0,1,0,1,0,0|2,0,0]=4 4539 B12R2.1081 Nc1cccc2c1SCCC2 1P027WPQ [0,1,0,1,0,0|2,0,0]=4 4540 B12R2.1081 Nc1ccnc2c1CCCC2 1P01FJS7 [0,1,0,1,0,0|2,0,0]=4 4541 B12R2.1081 Nc1ccnc2c1CNCC2 1P01C6YV [0,1,0,1,0,0|1,0,0]=3 4542 B12R2.1081 Nc1cncc2c1CCCC2 1P000VGW [0,1,0,1,0,0|2,0,0]=4 4543 B12R2.1081 Nc1cncc2c1CCCC2 1P0288LV [0,1,0,1,0,0|2,0,0]=4 4544 B12R2.1081 Nc1nccc2c1CNCC2 1P01AVJA [0,1,0,1,0,0|1,0,0]=3 4545 B12R2.1081 Nc1ncnc2c1CNCC2 1P028INV [0,1,0,1,0,0|2,0,0]=4 4546 B12R2.1081 O=C1CCCc2c1cccc2 1P0033AS [0,1,0,1,0,0|1,0,1]=4 4547 B12R2.1081 O=C1CCNc2c1cccc2 1P0033EM [0,1,0,1,0,0|2,0,0]=4 4548 B12R2.1081 O=C1CCNc2c1cccc2 1P00BXYO [0,1,0,1,0,0|2,0,0]=4 4549 B12R2.1081 O=C1CCOc2c1cccc2 1P0034H7 [0,1,0,1,0,0|2,0,0]=4 4550 B12R2.1081 O=C1CCSc2c1cccc2 1P003V8V [0,1,0,1,0,0|2,0,0]=4 4551 B12R2.1081 O=C1CNNc2c1cccc2 1P0013DI [0,1,0,1,0,0|1,0,1]=4 4552 B12R2.1081 O=C1COCc2c1cccc2 1P002KKX [0,1,0,1,0,0|1,0,1]=4 4553 B12R2.1081 O=C1CSCc2c1cccc2 1P003RMB [0,1,0,1,0,0|1,0,1]=4 4554 B12R2.1081 O=C1NCCc2c1cccc2 1P000PPA [0,1,0,1,0,0|0,0,1]=3 4555 B12R2.1081 O=C1NCCc2c1cccn2 1P001O18 [0,1,0,1,0,0|1,0,1]=4 4556 B12R2.1081 O=C1NCCc2c1cncc2 1P00G8CA [0,1,0,1,0,0|1,0,1]=4 4557 B12R2.1081 O=C1NCCc2c1cncc2 1P027Z26 [0,1,0,1,0,0|1,0,1]=4 4558 B12R2.1081 O=C1NCCc2c1nccc2 1P00BIR9 [0,1,0,1,0,0|1,0,1]=4 4559 B12R2.1081 O=C1NNCc2c1cccc2 1P01EKGA [0,1,0,1,0,0|1,0,1]=4 4560 B12R2.1081 O=C1OCCc2c1cccc2 1P003IXX [0,1,0,1,0,0|1,0,1]=4 4561 B12R2.1081 O=S1CCNc2c1cccc2 1P019KNE [0,1,0,1,0,0|2,0,0]=4 4562 B12R2.1081 O=S1CCOc2c1cccc2 1P01FL79 [0,1,0,1,0,0|2,0,0]=4 4563 B12R2.1081 O=c1[nH]ccc2c1CCCC2 1P002TAJ [0,1,0,1,0,0|2,0,0]=4 4564 B12R2.1081 O=c1[nH]ccc2c1CCNC2 1P000E4Y [0,1,0,1,0,0|1,0,0]=3 4565 B12R2.1081 O=c1[nH]ccc2c1CCNC2 1P000QYE [0,1,0,1,0,0|1,0,0]=3 4566 B12R2.1081 O=c1[nH]ccc2c1CNCC2 1P01FKSF [0,1,0,1,0,0|1,0,0]=3 4567 B12R2.1081 O=c1[nH]cnc2c1CCNC2 1P000E8A [0,1,0,1,0,0|2,0,0]=4 4568 B12R2.1081 O=c1[nH]cnc2c1CNCC2 1P0094HO [0,1,0,1,0,0|2,0,0]=4 4569 B12R2.1081 O=c1[nH]cnc2c1CNCC2 1P00ID40 [0,1,0,1,0,0|2,0,0]=4 4570 B12R2.1081 O=c1[nH]ncc2c1CCNC2 1P028N8Z [0,1,0,1,0,0|2,0,0]=4 4571 B12R2.1081 O=c1[nH]ncc2c1CCNC2 1P028OY4 [0,1,0,1,0,0|2,0,0]=4 4572 B12R2.1081 O=c1cc[nH]c2c1CCCC2 1P00IAVN [0,1,0,1,0,0|2,0,0]=4 4573 B12R2.1081 O=c1cccc2n1CCNC2 1P01KHBT [0,1,0,1,0,0|1,0,0]=3 4574 B12R2.1081 OB1OCCc2c1cccc2 1P002G3J [0,1,0,1,0,0|2,0,0]=4 4575 B12R2.1081 OC1CCCc2c1cccc2 1P003DQM [0,1,0,1,0,0|1,0,0]=3 4576 B12R2.1081 OC1CCCc2c1cccn2 1P00ACUT [0,1,0,1,0,0|2,0,0]=4 4577 B12R2.1081 OC1CCCc2c1ccnc2 1P00IKDB [0,1,0,1,0,0|2,0,0]=4 4578 B12R2.1081 OC1CCCc2c1nccc2 1P001ED2 [0,1,0,1,0,0|2,0,0]=4 4579 B12R2.1081 OC1CCNc2c1cccc2 1P00BHJL [0,1,0,1,0,0|2,0,0]=4 4580 B12R2.1081 OC1CCOc2c1cccc2 1P001FWV [0,1,0,1,0,0|2,0,0]=4 4581 B12R2.1081 OC1CCSc2c1cccc2 1P00BYVU [0,1,0,1,0,0|2,0,0]=4 4582 B12R2.1081 OC1CNCc2c1cccc2 1P009KHD [0,1,0,1,0,0|0,0,0]=2 4583 B12R2.1081 OC1COCc2c1cccc2 1P002KKW [0,1,0,1,0,0|1,0,0]=3 4584 B12R2.1081 OC1CSCc2c1cccc2 1P01A8OU [0,1,0,1,0,0|1,0,0]=3 4585 B12R2.1081 O[C@@H]1CCCc2c1cccc2 1P002NEW [0,1,0,1,0,0|1,0,0]=3 4586 B12R2.1081 O[C@@H]1CCCc2c1nccc2 1P00DKAT [0,1,0,1,0,0|2,0,0]=4 4587 B12R2.1081 O[C@@H]1CCOc2c1cccc2 1P009980 [0,1,0,1,0,0|2,0,0]=4 4588 B12R2.1081 O[C@@H]1CCSc2c1cccc2 1P019ROC [0,1,0,1,0,0|2,0,0]=4 4589 B12R2.1081 O[C@H]1CCCc2c1cccc2 1P003CWA [0,1,0,1,0,0|1,0,0]=3 4590 B12R2.1081 O[C@H]1CCCc2c1nccc2 1P00DJPW [0,1,0,1,0,0|2,0,0]=4 4591 B12R2.1081 O[C@H]1CCOc2c1cccc2 1P0011AH [0,1,0,1,0,0|2,0,0]=4 4592 B12R2.1081 O[C@H]1CCSc2c1cccc2 1P007O09 [0,1,0,1,0,0|2,0,0]=4 4593 B12R2.1081 Oc1cccc2c1CC=CC2 1P002UVH [0,1,0,1,0,0|1,0,1]=4 4594 B12R2.1081 Oc1cccc2c1CCCC2 1P003MPU [0,1,0,1,0,0|1,0,0]=3 4595 B12R2.1081 Oc1cccc2c1CCCN2 1P00EKFT [0,1,0,1,0,0|2,0,0]=4 4596 B12R2.1081 Oc1cccc2c1CCCO2 1P0019QX [0,1,0,1,0,0|2,0,0]=4 4597 B12R2.1081 Oc1cccc2c1CCNC2 1P0092LY [0,1,0,1,0,0|0,0,0]=2 4598 B12R2.1081 Oc1cccc2c1CCNC2 1P01BXX5 [0,1,0,1,0,0|0,0,0]=2 4599 B12R2.1081 Oc1cccc2c1CCOC2 1P01EMXG [0,1,0,1,0,0|1,0,0]=3 4600 B12R2.1081 Oc1cccc2c1CNCC2 1P003AG8 [0,1,0,1,0,0|0,0,0]=2 4601 B12R2.1081 Oc1cccc2c1CNCC2 1P007VX5 [0,1,0,1,0,0|0,0,0]=2 4602 B12R2.1081 Oc1cccc2c1CNCC2 1P00C9NA [0,1,0,1,0,0|0,0,0]=2 4603 B12R2.1081 Oc1cccc2c1NCCC2 1P003DQT [0,1,0,1,0,0|2,0,0]=4 4604 B12R2.1081 Oc1cccc2c1OCCC2 1P00I3AY [0,1,0,1,0,0|2,0,0]=4 4605 B12R2.1081 Oc1ccnc2c1CCCC2 1P00IEBP [0,1,0,1,0,0|2,0,0]=4 4606 B12R2.1081 Oc1ccnc2c1CNCC2 1P01EN2Q [0,1,0,1,0,0|1,0,0]=3 4607 B12R2.1081 Oc1nccc2c1CNCC2 1P01BDOE [0,1,0,1,0,0|1,0,0]=3 4608 B12R2.1081 Oc1nccc2c1CNCC2 1P0281V3 [0,1,0,1,0,0|1,0,0]=3 4609 B12R2.1081 S=C1NCCc2c1cccc2 1P00EE9W [0,1,0,1,0,0|0,0,1]=3 4610 B12R2.1081 SC1CCCc2c1cccc2 1P0086BH [0,1,0,1,0,0|1,0,0]=3 4611 B12R2.1081 SC1CCOc2c1cccc2 1P019Y5B [0,1,0,1,0,0|2,0,0]=4 4612 B12R2.1081 [O-][n+]1cccc2c1CCCC2 1P00APOI [0,1,0,1,0,0|2,0,0]=4 4613 B12R2.2028 CN1CN(c2c1cccc2)C 1P005Q4I [0,1,0,1,0,0|1,0,0]=3 4614 B12R2.2028 C[C@@H]1N[C@H](c2c1cccc2)C 1P028L6R [0,1,0,1,0,0|2,0,0]=4 4615 B12R2.2028 C[C@@H]1N[C@H](c2c1cccc2)C 1P028M4T [0,1,0,1,0,0|2,0,0]=4 4616 B12R2.2028 C[n+]1cn(c2c1cccc2)C 1P01EWVX [0,1,0,1,0,0|1,0,1]=4 4617 B12R2.2028 Cn1[nH]c(=O)c2c1cccc2 1P0002WW [0,1,0,1,0,0|1,0,1]=4 4618 B12R2.2028 Cn1cc(c2c1cccc2)Br 1P005L06 [0,1,0,1,0,0|0,0,2]=4 4619 B12R2.2028 Cn1cc(c2c1cccc2)C 1P00H2MC [0,1,0,1,0,0|0,0,2]=4 4620 B12R2.2028 Cn1cc(c2c1cccc2)Cl 1P007PUW [0,1,0,1,0,0|0,0,2]=4 4621 B12R2.2028 Cn1cc(c2c1cccc2)N 1P028PO1 [0,1,0,1,0,0|0,0,2]=4 4622 B12R2.2028 Cn1nc(c2c1cccc2)Br 1P00CJAX [0,1,0,1,0,0|1,0,1]=4 4623 B12R2.2028 Cn1nc(c2c1cccc2)I 1P00DD3I [0,1,0,1,0,0|1,0,1]=4 4624 B12R2.2028 Cn1nc(c2c1cccc2)N 1P00EEJS [0,1,0,1,0,0|1,0,1]=4 4625 B12R2.2028 FC1CC(c2c1cccc2)N 1P01A5R8 [0,1,0,1,0,0|2,0,0]=4 4626 B12R2.2028 NC1CC(c2c1cccc2)C 1P00CLF0 [0,1,0,1,0,0|1,0,0]=3 4627 B12R2.2028 NC1CC(c2c1cccc2)C 1P01AAMP [0,1,0,1,0,0|1,0,0]=3 4628 B12R2.2028 N[C@H]1C[C@@H](c2c1cccc2)C 1P027YUY [0,1,0,1,0,0|1,0,0]=3 4629 B12R2.2028 N[C@H]1C[C@H](c2c1cccc2)C 1P027YBT [0,1,0,1,0,0|1,0,0]=3 4630 B12R2.2028 O=C1CC(c2c1cccc2)Br 1P003JG9 [0,1,0,1,0,0|2,0,0]=4 4631 B12R2.2028 O=C1CC(c2c1cccc2)C 1P003K5N [0,1,0,1,0,0|1,0,1]=4 4632 B12R2.2028 O=C1CC(c2c1cccc2)N 1P00ADCH [0,1,0,1,0,0|2,0,0]=4 4633 B12R2.2028 O=C1C[C@@H](c2c1cccc2)C 1P01EKBH [0,1,0,1,0,0|1,0,1]=4 4634 B12R2.2028 O=C1C[C@H](c2c1cccc2)C 1P005GL2 [0,1,0,1,0,0|1,0,1]=4 4635 B12R2.2028 OC1CC(c2c1cccc2)N 1P00CXUG [0,1,0,1,0,0|2,0,0]=4 4636 B12R2.2028 O[C@H]1C[C@@H](c2c1cccc2)O 1P0289PZ [0,1,0,1,0,0|2,0,0]=4 4637 B12R2.2028 O[C@H]1C[C@H](c2c1cccc2)N 1P028VH9 [0,1,0,1,0,0|2,0,0]=4 4638 B12R2.2075 CC(c1ccccc1)C2OC2 1P01AMGS [0,1,0,1,0,0|1,0,0]=3 4639 B12R2.2075 NC(c1ccccc1)C2CC2 1P002NRQ [0,1,0,1,0,0|1,0,0]=3 4640 B12R2.2075 NC(c1ccccc1)C2CC2 1P003EQ4 [0,1,0,1,0,0|1,0,0]=3 4641 B12R2.2075 NC(c1ccccn1)C2CC2 1P003EQ1 [0,1,0,1,0,0|2,0,0]=4 4642 B12R2.2075 NC(c1cccnc1)C2CC2 1P003EQ2 [0,1,0,1,0,0|2,0,0]=4 4643 B12R2.2075 NC(c1cccnc1)C2CC2 1P01XD6R [0,1,0,1,0,0|2,0,0]=4 4644 B12R2.2075 NC(c1ccncc1)C2CC2 1P000X3B [0,1,0,1,0,0|2,0,0]=4 4645 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 1P001HA8 [0,1,0,1,0,0|1,0,0]=3 4646 B12R2.2075 N[C@@H](c1ccccc1)C2CC2 1P0074DQ [0,1,0,1,0,0|1,0,0]=3 4647 B12R2.2075 N[C@H](c1ccccc1)C2CC2 1P00CLDI [0,1,0,1,0,0|1,0,0]=3 4648 B12R2.2075 N[C@H](c1ccccc1)C2CC2 1P00G2TE [0,1,0,1,0,0|1,0,0]=3 4649 B12R2.2075 O=C(c1ccccc1)C2CC2 1P00354V [0,1,0,1,0,0|1,0,1]=4 4650 B12R2.2075 OC(c1ccccc1)C2CC2 1P00034H [0,1,0,1,0,0|1,0,0]=3 4651 B12R2.2075 OC(c1cccnc1)C2CC2 1P001O1P [0,1,0,1,0,0|2,0,0]=4 4652 B12R2.2075 O[C@@H](c1ccccc1)C2CC2 1P0286ZD [0,1,0,1,0,0|1,0,0]=3 4653 B12R2.2075 O[C@@H](c1ccccn1)C2CC2 1P01BEYI [0,1,0,1,0,0|2,0,0]=4 4654 B12R2.2075 O[C@@H](c1ccncc1)C2CC2 1P028E83 [0,1,0,1,0,0|2,0,0]=4 4655 B12R2.2075 O[C@H](c1ccccc1)C2CC2 1P028URA [0,1,0,1,0,0|1,0,0]=3 4656 B12R2.2075 O[C@H](c1ccccn1)C2CC2 1P01BEYH [0,1,0,1,0,0|2,0,0]=4 4657 B12R2.2075 O[C@H](c1ccncc1)C2CC2 1P028DWI [0,1,0,1,0,0|2,0,0]=4 4658 B12R2.2075 SC(c1ccccc1)C2CC2 1P01DVXH [0,1,0,1,0,0|1,0,0]=3 4659 B12R2.32 BrCC1Cc2c(C1)cccc2 1P00C715 [0,1,0,1,0,0|2,0,0]=4 4660 B12R2.32 BrCC1Cc2c(O1)cccc2 1P002CXU [0,1,0,1,0,0|2,0,0]=4 4661 B12R2.32 C#CC1Cc2c(C1)cccc2 1P00ABX8 [0,1,0,1,0,0|1,0,1]=4 4662 B12R2.32 CNC1Cc2c(C1)cccc2 1P008T9L [0,1,0,1,0,0|0,0,0]=2 4663 B12R2.32 CNc1nc2c([nH]1)cccc2 1P00AMFX [0,1,0,1,0,0|1,0,1]=4 4664 B12R2.32 CNc1nc2c(o1)cccc2 1P002BGI [0,1,0,1,0,0|1,0,1]=4 4665 B12R2.32 CNc1nc2c(s1)cccc2 1P00HZSB [0,1,0,1,0,0|1,0,1]=4 4666 B12R2.32 CNc1nc2c(s1)cccc2 1P019KYU [0,1,0,1,0,0|1,0,1]=4 4667 B12R2.32 ClCC1Cc2c(O1)cccc2 1P00DLTJ [0,1,0,1,0,0|2,0,0]=4 4668 B12R2.32 ICC1Cc2c(O1)cccc2 1P00EFUD [0,1,0,1,0,0|2,0,0]=4 4669 B12R2.32 N#CC1Cc2c(C1)cccc2 1P002TQR [0,1,0,1,0,0|2,0,0]=4 4670 B12R2.32 N#CC1Cc2c(O1)cccc2 1P01PW8C [0,1,0,1,0,0|2,0,0]=4 4671 B12R2.32 NCC1Cc2c(C1)cccc2 1P0026Z3 [0,1,0,1,0,0|2,0,0]=4 4672 B12R2.32 NCC1Cc2c(N1)cccc2 1P027XO3 [0,1,0,1,0,0|2,0,0]=4 4673 B12R2.32 NCC1Cc2c(O1)cccc2 1P00BI7W [0,1,0,1,0,0|2,0,0]=4 4674 B12R2.32 O=CC1Cc2c(C1)cccc2 1P00C7D0 [0,1,0,1,0,0|2,0,0]=4 4675 B12R2.32 OCC1Cc2c(C1)cccc2 1P00DBQM [0,1,0,1,0,0|2,0,0]=4 4676 B12R2.32 OCC1Cc2c(N1)cccc2 1P001AEN [0,1,0,1,0,0|2,0,0]=4 4677 B12R2.32 OCC1Cc2c(O1)cccc2 1P00FBQ0 [0,1,0,1,0,0|2,0,0]=4 4678 B12R2.32 OC[C@@H]1Cc2c(N1)cccc2 1P002US1 [0,1,0,1,0,0|2,0,0]=4 4679 B12R2.32 OC[C@H]1Cc2c(N1)cccc2 1P00ID99 [0,1,0,1,0,0|2,0,0]=4 4680 B12R2.115 BrC1CC1c2ccccc2F 1P0292LD [0,1,0,1,0,0|2,0,0]=4 4681 B12R2.115 NC1CC1c2ccccc2Br 1P01ABGY [0,1,0,1,0,0|2,0,0]=4 4682 B12R2.115 NC1CC1c2ccccc2F 1P01AH4Q [0,1,0,1,0,0|2,0,0]=4 4683 B12R2.115 N[C@@H]1C[C@@H]1c2ccccc2F 1P024KHM [0,1,0,1,0,0|2,0,0]=4 4684 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2C 1P01B80J [0,1,0,1,0,0|2,0,0]=4 4685 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2Cl 1P01B818 [0,1,0,1,0,0|2,0,0]=4 4686 B12R2.196 BrC1CCc2c1cccc2F 1P019TYG [0,1,0,1,0,0|2,0,0]=4 4687 B12R2.196 Brc1cccc2c1ccn2C 1P00EC4Q [0,1,0,1,0,0|0,0,2]=4 4688 B12R2.196 Brc1cccc2c1cnn2C 1P00380W [0,1,0,1,0,0|1,0,1]=4 4689 B12R2.196 Brc1cccc2c1nnn2C 1P01B702 [0,1,0,1,0,0|2,0,0]=4 4690 B12R2.196 CC1CNc2c1cccc2N 1P01BPPJ [0,1,0,1,0,0|2,0,0]=4 4691 B12R2.196 CN1CCc2c1cccc2N 1P0289OJ [0,1,0,1,0,0|0,0,0]=2 4692 B12R2.196 ClC1CCc2c1cccc2Br 1P01A2HJ [0,1,0,1,0,0|2,0,0]=4 4693 B12R2.196 ClC1CCc2c1cccc2Cl 1P01A2KQ [0,1,0,1,0,0|2,0,0]=4 4694 B12R2.196 ClC1CCc2c1cccc2F 1P01A2HQ [0,1,0,1,0,0|2,0,0]=4 4695 B12R2.196 Clc1cccc2c1ccn2C 1P00IDCQ [0,1,0,1,0,0|0,0,2]=4 4696 B12R2.196 Clc1cccc2c1cnn2C 1P001TO0 [0,1,0,1,0,0|1,0,1]=4 4697 B12R2.196 Cn1cnc2c1cccc2Br 1P009I3K [0,1,0,1,0,0|1,0,1]=4 4698 B12R2.196 Cn1cnc2c1cccc2N 1P001O7L [0,1,0,1,0,0|1,0,1]=4 4699 B12R2.196 Cn1cnc2c1cccc2O 1P01BD9T [0,1,0,1,0,0|1,0,1]=4 4700 B12R2.196 Fc1cccc2c1cnn2C 1P008UR7 [0,1,0,1,0,0|1,0,1]=4 4701 B12R2.196 Ic1cccc2c1cnn2C 1P0062GU [0,1,0,1,0,0|1,0,1]=4 4702 B12R2.196 NC1CCc2c1cccc2Br 1P00A01W [0,1,0,1,0,0|2,0,0]=4 4703 B12R2.196 NC1CCc2c1cccc2Br 1P00GYUK [0,1,0,1,0,0|2,0,0]=4 4704 B12R2.196 NC1CCc2c1cccc2C 1P007BTT [0,1,0,1,0,0|2,0,0]=4 4705 B12R2.196 NC1CCc2c1cccc2C 1P01ABHL [0,1,0,1,0,0|2,0,0]=4 4706 B12R2.196 NC1CCc2c1cccc2Cl 1P00FHH9 [0,1,0,1,0,0|2,0,0]=4 4707 B12R2.196 NC1CCc2c1cccc2Cl 1P00FI0I [0,1,0,1,0,0|2,0,0]=4 4708 B12R2.196 NC1CCc2c1cccc2F 1P001LRA [0,1,0,1,0,0|2,0,0]=4 4709 B12R2.196 NC1CCc2c1cccc2F 1P00II64 [0,1,0,1,0,0|2,0,0]=4 4710 B12R2.196 NC1CCc2c1cccc2N 1P0280VE [0,1,0,1,0,0|2,0,0]=4 4711 B12R2.196 NC1CCc2c1cccc2O 1P009KHM [0,1,0,1,0,0|2,0,0]=4 4712 B12R2.196 NC1CCc2c1cccc2O 1P00DK7V [0,1,0,1,0,0|2,0,0]=4 4713 B12R2.196 N[C@@H]1CCc2c1cccc2Br 1P000K31 [0,1,0,1,0,0|2,0,0]=4 4714 B12R2.196 N[C@@H]1CCc2c1cccc2Br 1P000VB9 [0,1,0,1,0,0|2,0,0]=4 4715 B12R2.196 N[C@@H]1CCc2c1cccc2C 1P01XCV4 [0,1,0,1,0,0|2,0,0]=4 4716 B12R2.196 N[C@@H]1CCc2c1cccc2Cl 1P01EILH [0,1,0,1,0,0|2,0,0]=4 4717 B12R2.196 N[C@@H]1CCc2c1cccc2F 1P001UTO [0,1,0,1,0,0|2,0,0]=4 4718 B12R2.196 N[C@@H]1CCc2c1cccc2O 1P01K4FR [0,1,0,1,0,0|2,0,0]=4 4719 B12R2.196 N[C@H]1CCc2c1cccc2Br 1P000K2U [0,1,0,1,0,0|2,0,0]=4 4720 B12R2.196 N[C@H]1CCc2c1cccc2Br 1P000VEL [0,1,0,1,0,0|2,0,0]=4 4721 B12R2.196 N[C@H]1CCc2c1cccc2C 1P01DECP [0,1,0,1,0,0|2,0,0]=4 4722 B12R2.196 N[C@H]1CCc2c1cccc2Cl 1P01DUMY [0,1,0,1,0,0|2,0,0]=4 4723 B12R2.196 N[C@H]1CCc2c1cccc2F 1P000YQS [0,1,0,1,0,0|2,0,0]=4 4724 B12R2.196 N[C@H]1CCc2c1cccc2F 1P00IIUN [0,1,0,1,0,0|2,0,0]=4 4725 B12R2.196 N[C@H]1CCc2c1cccc2O 1P01K4FJ [0,1,0,1,0,0|2,0,0]=4 4726 B12R2.196 Nc1cccc2c1ccn2C 1P004Q7I [0,1,0,1,0,0|0,0,2]=4 4727 B12R2.196 Nc1cccc2c1cnn2C 1P005RPM [0,1,0,1,0,0|1,0,1]=4 4728 B12R2.196 Nc1cccc2c1nnn2C 1P00BLDH [0,1,0,1,0,0|2,0,0]=4 4729 B12R2.196 O=C1CCc2c1cccc2Br 1P001NLE [0,1,0,1,0,0|2,0,0]=4 4730 B12R2.196 O=C1CCc2c1cccc2C 1P002PDZ [0,1,0,1,0,0|2,0,0]=4 4731 B12R2.196 O=C1CCc2c1cccc2Cl 1P001NLF [0,1,0,1,0,0|2,0,0]=4 4732 B12R2.196 O=C1CCc2c1cccc2F 1P0034HL [0,1,0,1,0,0|2,0,0]=4 4733 B12R2.196 O=C1CCc2c1cccc2I 1P003FZN [0,1,0,1,0,0|2,0,0]=4 4734 B12R2.196 O=C1CCc2c1cccc2N 1P00AUZ3 [0,1,0,1,0,0|2,0,0]=4 4735 B12R2.196 O=C1CCc2c1cccc2N 1P00D8HO [0,1,0,1,0,0|2,0,0]=4 4736 B12R2.196 O=C1CCc2c1cccc2O 1P0034IZ [0,1,0,1,0,0|2,0,0]=4 4737 B12R2.196 OC1CCc2c1cccc2Br 1P001XAB [0,1,0,1,0,0|2,0,0]=4 4738 B12R2.196 OC1CCc2c1cccc2C 1P00FHKP [0,1,0,1,0,0|2,0,0]=4 4739 B12R2.196 OC1CCc2c1cccc2Cl 1P00CNC5 [0,1,0,1,0,0|2,0,0]=4 4740 B12R2.196 OC1CCc2c1cccc2F 1P00DV2H [0,1,0,1,0,0|2,0,0]=4 4741 B12R2.196 O[C@@H]1CCc2c1cccc2Br 1P028TEM [0,1,0,1,0,0|2,0,0]=4 4742 B12R2.196 O[C@@H]1CCc2c1cccc2Cl 1P019RPU [0,1,0,1,0,0|2,0,0]=4 4743 B12R2.196 O[C@@H]1CCc2c1cccc2F 1P01BIVG [0,1,0,1,0,0|2,0,0]=4 4744 B12R2.196 O[C@H]1CCc2c1cccc2Br 1P00GB2E [0,1,0,1,0,0|2,0,0]=4 4745 B12R2.196 O[C@H]1CCc2c1cccc2Cl 1P019RPT [0,1,0,1,0,0|2,0,0]=4 4746 B12R2.196 O[C@H]1CCc2c1cccc2F 1P01BIVE [0,1,0,1,0,0|2,0,0]=4 4747 B12R2.196 O[C@H]1CCc2c1cccc2O 1P028ELO [0,1,0,1,0,0|2,0,0]=4 4748 B12R2.196 Oc1cccc2c1ccn2C 1P008QC0 [0,1,0,1,0,0|0,0,2]=4 4749 B12R2.196 Oc1cccc2c1cnn2C 1P001K5R [0,1,0,1,0,0|1,0,1]=4 4750 B12R2.225 Brc1ccccc1CC2CC2 1P01K6GK [0,1,0,1,0,0|1,0,0]=3 4751 B12R2.225 Brc1ccccc1OC2CC2 1P00CLSL [0,1,0,1,0,0|2,0,0]=4 4752 B12R2.225 Brc1ccccc1SC2CC2 1P01DVHL [0,1,0,1,0,0|2,0,0]=4 4753 B12R2.225 Fc1ccccc1OC2CC2 1P009WLU [0,1,0,1,0,0|2,0,0]=4 4754 B12R2.225 Nc1ccccc1NC2CC2 1P0092NW [0,1,0,1,0,0|2,0,0]=4 4755 B12R2.225 Nc1ccccc1NC2CC2 1P01AB7F [0,1,0,1,0,0|2,0,0]=4 4756 B12R2.225 Nc1ccccc1OC2CC2 1P027YH8 [0,1,0,1,0,0|2,0,0]=4 4757 B12R2.225 Nc1ccccc1SC2CC2 1P027TY3 [0,1,0,1,0,0|2,0,0]=4 4758 B12R2.225 Oc1ccccc1CC2CC2 1P00I71Z [0,1,0,1,0,0|1,0,0]=3 4759 B12R2.517 Brc1ccccc1C2CCC2 1P01AGGT [0,1,0,1,0,0|1,0,0]=3 4760 B12R2.517 Brc1ccccc1C2CCO2 1P01DQSV [0,1,0,1,0,0|2,0,0]=4 4761 B12R2.517 Brc1ccccc1C2COC2 1P020JK3 [0,1,0,1,0,0|1,0,0]=3 4762 B12R2.517 Brc1cccnc1C2CCC2 1P028QH8 [0,1,0,1,0,0|2,0,0]=4 4763 B12R2.517 Brc1ncccc1C2CNC2 1P028S7A [0,1,0,1,0,0|1,0,0]=3 4764 B12R2.517 Cc1ccccc1C2CNC2 1P0287WD [0,1,0,1,0,0|0,0,0]=2 4765 B12R2.517 Clc1cnccc1C2CCC2 1P028UST [0,1,0,1,0,0|2,0,0]=4 4766 B12R2.517 Fc1ccccc1C2CCN2 1P019SDM [0,1,0,1,0,0|2,0,0]=4 4767 B12R2.517 Fc1ccccc1C2CCN2 1P019THD [0,1,0,1,0,0|2,0,0]=4 4768 B12R2.517 Fc1ccccc1C2CNC2 1P00HFWM [0,1,0,1,0,0|0,0,0]=2 4769 B12R2.517 Fc1ccccc1C2CNC2 1P01ALMH [0,1,0,1,0,0|0,0,0]=2 4770 B12R2.517 Fc1cccnc1C2CNC2 1P028XAX [0,1,0,1,0,0|1,0,0]=3 4771 B12R2.517 Ic1ccccc1C2COC2 1P00I13N [0,1,0,1,0,0|1,0,0]=3 4772 B12R2.517 Nc1ccccc1C2CCC2 1P01FJSB [0,1,0,1,0,0|1,0,0]=3 4773 B12R2.80 Br[C@@H]1C[C@H]1c2cccc(c2)Cl 1P028EXQ [0,1,0,1,0,0|2,0,0]=4 4774 B12R2.80 Br[C@@H]1C[C@H]1c2cccc(c2)F 1P01BG41 [0,1,0,1,0,0|2,0,0]=4 4775 B12R2.80 F[C@@H]1C[C@H]1c2cccc(c2)O 1P028WNO [0,1,0,1,0,0|2,0,0]=4 4776 B12R2.80 F[C@H]1C[C@H]1c2cccc(c2)O 1P027Z92 [0,1,0,1,0,0|2,0,0]=4 4777 B12R2.80 NC1CC1c2cccc(c2)Br 1P01AH3C [0,1,0,1,0,0|2,0,0]=4 4778 B12R2.80 NC1CC1c2cccc(c2)Cl 1P003ANK [0,1,0,1,0,0|2,0,0]=4 4779 B12R2.80 NC1CC1c2cccc(c2)Cl 1P019EF0 [0,1,0,1,0,0|2,0,0]=4 4780 B12R2.80 NC1CC1c2cccc(c2)F 1P000PC4 [0,1,0,1,0,0|2,0,0]=4 4781 B12R2.80 N[C@@H]1C[C@H]1c2cccc(c2)Br 1P009YVM [0,1,0,1,0,0|2,0,0]=4 4782 B12R2.80 N[C@@H]1C[C@H]1c2cccc(c2)F 1P01BGH8 [0,1,0,1,0,0|2,0,0]=4 4783 B12R2.203 BrC1CCc2c1c(Cl)ccc2 1P01JP5U [0,1,0,1,0,0|2,0,0]=4 4784 B12R2.203 BrC1CCc2c1c(F)ccc2 1P028756 [0,1,0,1,0,0|2,0,0]=4 4785 B12R2.203 Brc1cccc2c1n(C)nc2 1P00017O [0,1,0,1,0,0|1,0,1]=4 4786 B12R2.203 Brc1cccc2c1n(C)nn2 1P00KLOB [0,1,0,1,0,0|2,0,0]=4 4787 B12R2.203 Cc1cccc2c1n(C)cc2 1P00DV6Q [0,1,0,1,0,0|0,0,2]=4 4788 B12R2.203 Cc1cccc2c1n(C)nc2 1P01DL4D [0,1,0,1,0,0|1,0,1]=4 4789 B12R2.203 Cn1ccc2c1c(Br)ccc2 1P007M1W [0,1,0,1,0,0|0,0,2]=4 4790 B12R2.203 Cn1ccc2c1c(N)ccc2 1P009Q8I [0,1,0,1,0,0|0,0,2]=4 4791 B12R2.203 Cn1ccc2c1c(S)ccc2 1P01BIXE [0,1,0,1,0,0|0,0,2]=4 4792 B12R2.203 Cn1cnc2c1c(Br)ccc2 1P000KW1 [0,1,0,1,0,0|1,0,1]=4 4793 B12R2.203 Cn1cnc2c1c(N)ccc2 1P003NTD [0,1,0,1,0,0|1,0,1]=4 4794 B12R2.203 Fc1cccc2c1n(C)nc2 1P003NVX [0,1,0,1,0,0|1,0,1]=4 4795 B12R2.203 NC1CCc2c1c(Br)ccc2 1P0096PJ [0,1,0,1,0,0|2,0,0]=4 4796 B12R2.203 NC1CCc2c1c(Br)ccc2 1P01DE72 [0,1,0,1,0,0|2,0,0]=4 4797 B12R2.203 NC1CCc2c1c(C)ccc2 1P01JV53 [0,1,0,1,0,0|2,0,0]=4 4798 B12R2.203 NC1CCc2c1c(Cl)ccc2 1P024G12 [0,1,0,1,0,0|2,0,0]=4 4799 B12R2.203 NC1CCc2c1c(F)ccc2 1P0220NY [0,1,0,1,0,0|2,0,0]=4 4800 B12R2.203 N[C@H]1CCc2c1c(F)ccc2 1P01ENIW [0,1,0,1,0,0|2,0,0]=4 4801 B12R2.203 Nc1cccc2c1n(C)nc2 1P00C81G [0,1,0,1,0,0|1,0,1]=4 4802 B12R2.203 Nc1cccc2c1n(C)nn2 1P00A349 [0,1,0,1,0,0|2,0,0]=4 4803 B12R2.203 O=C1CCc2c1c(Br)ccc2 1P000NOQ [0,1,0,1,0,0|2,0,0]=4 4804 B12R2.203 O=C1CCc2c1c(C)ccc2 1P0078K9 [0,1,0,1,0,0|2,0,0]=4 4805 B12R2.203 O=C1CCc2c1c(Cl)ccc2 1P00399P [0,1,0,1,0,0|2,0,0]=4 4806 B12R2.203 O=C1CCc2c1c(F)ccc2 1P003NVW [0,1,0,1,0,0|2,0,0]=4 4807 B12R2.203 O=C1CCc2c1c(I)ccc2 1P019G9U [0,1,0,1,0,0|2,0,0]=4 4808 B12R2.203 O=C1CCc2c1c(N)ccc2 1P00EIV1 [0,1,0,1,0,0|2,0,0]=4 4809 B12R2.203 O=C1CCc2c1c(O)ccc2 1P005JMV [0,1,0,1,0,0|2,0,0]=4 4810 B12R2.203 OC1CCc2c1c(Br)ccc2 1P01JKQH [0,1,0,1,0,0|2,0,0]=4 4811 B12R2.203 OC1CCc2c1c(C)ccc2 1P00ICZB [0,1,0,1,0,0|2,0,0]=4 4812 B12R2.612 Brc1ccc2c(c1)CC=C2C 1P0094P2 [0,1,0,1,0,0|1,0,1]=4 4813 B12R2.612 Brc1ccc2c(c1)CCC2=C 1P01EEFO [0,1,0,1,0,0|1,0,1]=4 4814 B12R2.612 Brc1ccc2c(c1)CCC2=O 1P0034OZ [0,1,0,1,0,0|2,0,0]=4 4815 B12R2.612 Brc1ccc2c(c1)CCC2N 1P0096R8 [0,1,0,1,0,0|2,0,0]=4 4816 B12R2.612 Brc1ccc2c(c1)CCC2N 1P00APQS [0,1,0,1,0,0|2,0,0]=4 4817 B12R2.612 Brc1ccc2c(c1)CCC2O 1P00CMM6 [0,1,0,1,0,0|2,0,0]=4 4818 B12R2.612 Brc1ccc2c(c1)CCN2C 1P00IKT4 [0,1,0,1,0,0|0,0,0]=2 4819 B12R2.612 Brc1ccc2c(c1)CC[C@@H]2N 1P006FV6 [0,1,0,1,0,0|2,0,0]=4 4820 B12R2.612 Brc1ccc2c(c1)CC[C@@H]2N 1P00H3MA [0,1,0,1,0,0|2,0,0]=4 4821 B12R2.612 Brc1ccc2c(c1)CC[C@@H]2O 1P000X1K [0,1,0,1,0,0|2,0,0]=4 4822 B12R2.612 Brc1ccc2c(c1)CC[C@H]2N 1P000K2Z [0,1,0,1,0,0|2,0,0]=4 4823 B12R2.612 Brc1ccc2c(c1)CC[C@H]2N 1P001JS3 [0,1,0,1,0,0|2,0,0]=4 4824 B12R2.612 Brc1ccc2c(c1)CC[C@H]2O 1P00HAOH [0,1,0,1,0,0|2,0,0]=4 4825 B12R2.612 Brc1ccc2c(c1)NCC2C 1P01DY0A [0,1,0,1,0,0|2,0,0]=4 4826 B12R2.612 Brc1ccc2c(c1)ccn2C 1P000393 [0,1,0,1,0,0|0,0,2]=4 4827 B12R2.612 Brc1ccc2c(c1)cnn2C 1P00D8HJ [0,1,0,1,0,0|1,0,1]=4 4828 B12R2.612 Brc1ccc2c(c1)ncn2C 1P00DATA [0,1,0,1,0,0|1,0,1]=4 4829 B12R2.612 Brc1ccc2c(c1)nnn2C 1P00IINT [0,1,0,1,0,0|2,0,0]=4 4830 B12R2.612 Brc1cnc2c(c1)CCN2C 1P00HF6P [0,1,0,1,0,0|1,0,0]=3 4831 B12R2.612 Cc1ccc2c(c1)CCC2=O 1P00DEZN [0,1,0,1,0,0|2,0,0]=4 4832 B12R2.612 Cc1ccc2c(c1)CCC2N 1P001YU7 [0,1,0,1,0,0|2,0,0]=4 4833 B12R2.612 Cc1ccc2c(c1)CCC2N 1P00ASPN [0,1,0,1,0,0|2,0,0]=4 4834 B12R2.612 Cc1ccc2c(c1)CCC2O 1P00CVDB [0,1,0,1,0,0|2,0,0]=4 4835 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N 1P024FZB [0,1,0,1,0,0|2,0,0]=4 4836 B12R2.612 Clc1ccc2c(c1)CCC2=C 1P01BIG3 [0,1,0,1,0,0|1,0,1]=4 4837 B12R2.612 Clc1ccc2c(c1)CCC2=O 1P0034PD [0,1,0,1,0,0|2,0,0]=4 4838 B12R2.612 Clc1ccc2c(c1)CCC2Br 1P002GP8 [0,1,0,1,0,0|2,0,0]=4 4839 B12R2.612 Clc1ccc2c(c1)CCC2Cl 1P01B9H1 [0,1,0,1,0,0|2,0,0]=4 4840 B12R2.612 Clc1ccc2c(c1)CCC2N 1P000Q2R [0,1,0,1,0,0|2,0,0]=4 4841 B12R2.612 Clc1ccc2c(c1)CCC2N 1P006LX5 [0,1,0,1,0,0|2,0,0]=4 4842 B12R2.612 Clc1ccc2c(c1)CCC2O 1P00CJ8N [0,1,0,1,0,0|2,0,0]=4 4843 B12R2.612 Clc1ccc2c(c1)CC[C@@H]2N 1P00HVJ1 [0,1,0,1,0,0|2,0,0]=4 4844 B12R2.612 Clc1ccc2c(c1)CC[C@@H]2N 1P00IIU1 [0,1,0,1,0,0|2,0,0]=4 4845 B12R2.612 Clc1ccc2c(c1)CC[C@@H]2O 1P019RPY [0,1,0,1,0,0|2,0,0]=4 4846 B12R2.612 Clc1ccc2c(c1)CC[C@H]2N 1P00HZCR [0,1,0,1,0,0|2,0,0]=4 4847 B12R2.612 Clc1ccc2c(c1)CC[C@H]2N 1P00IDN2 [0,1,0,1,0,0|2,0,0]=4 4848 B12R2.612 Clc1ccc2c(c1)CC[C@H]2O 1P019RPX [0,1,0,1,0,0|2,0,0]=4 4849 B12R2.612 Clc1ccc2c(c1)ccn2C 1P008UXJ [0,1,0,1,0,0|0,0,2]=4 4850 B12R2.612 Fc1ccc2c(c1)CCC2=O 1P003N7E [0,1,0,1,0,0|2,0,0]=4 4851 B12R2.612 Fc1ccc2c(c1)CCC2N 1P001LRB [0,1,0,1,0,0|2,0,0]=4 4852 B12R2.612 Fc1ccc2c(c1)CCC2N 1P019X57 [0,1,0,1,0,0|2,0,0]=4 4853 B12R2.612 Fc1ccc2c(c1)CCC2O 1P00DLYE [0,1,0,1,0,0|2,0,0]=4 4854 B12R2.612 Fc1ccc2c(c1)CC[C@@H]2O 1P019RPZ [0,1,0,1,0,0|2,0,0]=4 4855 B12R2.612 Fc1ccc2c(c1)CC[C@H]2N 1P0018LU [0,1,0,1,0,0|2,0,0]=4 4856 B12R2.612 Fc1ccc2c(c1)CC[C@H]2N 1P009BF1 [0,1,0,1,0,0|2,0,0]=4 4857 B12R2.612 Fc1ccc2c(c1)CC[C@H]2O 1P019RQ1 [0,1,0,1,0,0|2,0,0]=4 4858 B12R2.612 Fc1ccc2c(c1)ncn2C 1P0012GI [0,1,0,1,0,0|1,0,1]=4 4859 B12R2.612 Ic1ccc2c(c1)CCC2=O 1P00DA13 [0,1,0,1,0,0|2,0,0]=4 4860 B12R2.612 Ic1ccc2c(c1)cnn2C 1P007BAG [0,1,0,1,0,0|1,0,1]=4 4861 B12R2.612 Ic1ccc2c(c1)ncn2C 1P020L2L [0,1,0,1,0,0|1,0,1]=4 4862 B12R2.612 Nc1ccc2c(c1)CCC2=O 1P0036CK [0,1,0,1,0,0|2,0,0]=4 4863 B12R2.612 Nc1ccc2c(c1)CCC2N 1P01A96H [0,1,0,1,0,0|2,0,0]=4 4864 B12R2.612 Nc1ccc2c(c1)CCC2N 1P01B6WZ [0,1,0,1,0,0|2,0,0]=4 4865 B12R2.612 Nc1ccc2c(c1)CCN2C 1P000LXA [0,1,0,1,0,0|0,0,0]=2 4866 B12R2.612 Nc1ccc2c(c1)ccn2C 1P0007MP [0,1,0,1,0,0|0,0,2]=4 4867 B12R2.612 Nc1ccc2c(c1)cnn2C 1P003EXS [0,1,0,1,0,0|1,0,1]=4 4868 B12R2.612 Nc1ccc2c(c1)ncn2C 1P007FSN [0,1,0,1,0,0|1,0,1]=4 4869 B12R2.612 Nc1ccc2c(c1)nnn2C 1P002V8E [0,1,0,1,0,0|2,0,0]=4 4870 B12R2.612 Oc1ccc2c(c1)CCC2=O 1P003N8Y [0,1,0,1,0,0|2,0,0]=4 4871 B12R2.612 Oc1ccc2c(c1)CCC2N 1P0282WB [0,1,0,1,0,0|2,0,0]=4 4872 B12R2.612 Oc1ccc2c(c1)CCN2C 1P01BGLY [0,1,0,1,0,0|0,0,0]=2 4873 B12R2.612 Oc1ccc2c(c1)CC[C@@H]2N 1P01XD6I [0,1,0,1,0,0|2,0,0]=4 4874 B12R2.612 Oc1ccc2c(c1)ccn2C 1P00804R [0,1,0,1,0,0|0,0,2]=4 4875 B12R2.612 Oc1ccc2c(c1)cnn2C 1P003ARS [0,1,0,1,0,0|1,0,1]=4 4876 B12R2.612 Oc1ccc2c(c1)ncn2C 1P00DKVZ [0,1,0,1,0,0|1,0,1]=4 4877 B12R2.612 Oc1ccc2c(c1)nnn2C 1P020KZ8 [0,1,0,1,0,0|2,0,0]=4 4878 B12R2.1286 Brc1cccc(c1)CC2CC2 1P01M3R2 [0,1,0,1,0,0|1,0,0]=3 4879 B12R2.1286 Brc1cccc(c1)OC2CC2 1P003AFO [0,1,0,1,0,0|2,0,0]=4 4880 B12R2.1286 Fc1cccc(c1)CC2CO2 1P01BOC8 [0,1,0,1,0,0|1,0,0]=3 4881 B12R2.1286 Nc1cccc(c1)NC2CC2 1P019WQA [0,1,0,1,0,0|2,0,0]=4 4882 B12R2.1286 Nc1cccc(c1)OC2CC2 1P028O99 [0,1,0,1,0,0|2,0,0]=4 4883 B12R2.1286 Oc1cccc(c1)CC2N=N2 1P0280E7 [0,1,0,1,0,0|1,0,1]=4 4884 B12R2.1286 Oc1cccc(c1)NC2CC2 1P01B7MX [0,1,0,1,0,0|2,0,0]=4 4885 B12R2.1286 Oc1cccc(c1)OC2CC2 1P00CIRZ [0,1,0,1,0,0|2,0,0]=4 4886 B12R2.1783 N#CC1Cc2c1c(Br)ccc2 1P01DWQ2 [0,1,0,1,0,0|2,0,0]=4 4887 B12R2.1783 N#CC1Cc2c1c(F)ccc2 1P01BG5C [0,1,0,1,0,0|2,0,0]=4 4888 B12R2.2313 Brc1cccc(c1)C2CCC2 1P00ATK6 [0,1,0,1,0,0|1,0,0]=3 4889 B12R2.2313 Brc1cccc(c1)C2CCN2 1P01A6ZP [0,1,0,1,0,0|2,0,0]=4 4890 B12R2.2313 Brc1cccc(c1)C2CCN2 1P01AFD5 [0,1,0,1,0,0|2,0,0]=4 4891 B12R2.2313 Brc1cccc(c1)C2CCO2 1P023OU4 [0,1,0,1,0,0|2,0,0]=4 4892 B12R2.2313 Brc1cccc(c1)C2CNC2 1P00HFWD [0,1,0,1,0,0|0,0,0]=2 4893 B12R2.2313 Brc1cccc(c1)C2COC2 1P0099KC [0,1,0,1,0,0|1,0,0]=3 4894 B12R2.2313 Brc1ccnc(c1)C2CCC2 1P003BAZ [0,1,0,1,0,0|2,0,0]=4 4895 B12R2.2313 Cc1cccc(c1)C2CNC2 1P028C60 [0,1,0,1,0,0|0,0,0]=2 4896 B12R2.2313 Cc1ncnc(c1)C2CNC2 1P0280QK [0,1,0,1,0,0|2,0,0]=4 4897 B12R2.2313 Clc1cccc(c1)C2CCN2 1P028IKW [0,1,0,1,0,0|2,0,0]=4 4898 B12R2.2313 Clc1cccc(c1)C2CNC2 1P01C1VO [0,1,0,1,0,0|0,0,0]=2 4899 B12R2.2313 Clc1nccc(c1)C2CCC2 1P028AXQ [0,1,0,1,0,0|2,0,0]=4 4900 B12R2.2313 Fc1cccc(c1)C2CCN2 1P019SU6 [0,1,0,1,0,0|2,0,0]=4 4901 B12R2.2313 Fc1cccc(c1)C2CNC2 1P008S68 [0,1,0,1,0,0|0,0,0]=2 4902 B12R2.2313 Fc1cccc(c1)C2CNC2 1P008WJ5 [0,1,0,1,0,0|0,0,0]=2 4903 B12R2.2313 Fc1cccc(n1)C2CNC2 1P028VDY [0,1,0,1,0,0|1,0,0]=3 4904 B12R2.2313 Fc1cncc(c1)C2CNC2 1P028F2Q [0,1,0,1,0,0|1,0,0]=3 4905 B12R2.2313 Ic1ccnc(c1)C2CCC2 1P02863V [0,1,0,1,0,0|2,0,0]=4 4906 B12R2.2313 Nc1cccc(c1)C2CCC2 1P01BD4P [0,1,0,1,0,0|1,0,0]=3 4907 B12R2.2313 Nc1cccc(c1)C2COC2 1P01M6DW [0,1,0,1,0,0|1,0,0]=3 4908 B12R2.2313 Nc1nccc(c1)C2COC2 1P003B7G [0,1,0,1,0,0|2,0,0]=4 4909 B12R2.2313 Nc1nccc(n1)C2CNC2 1P01FJ8H [0,1,0,1,0,0|2,0,0]=4 4910 B12R2.2313 Oc1cccc(c1)C2CCC2 1P01S41U [0,1,0,1,0,0|1,0,0]=3 4911 B12R2.2313 Oc1cccc(c1)C2CNC2 1P028LLT [0,1,0,1,0,0|0,0,0]=2 4912 B12R2.2313 Oc1cccc(c1)C2COC2 1P028Z9Y [0,1,0,1,0,0|1,0,0]=3 4913 B12R2.2313 Oc1ccnc(n1)C2CNC2 1P01FKD3 [0,1,0,1,0,0|2,0,0]=4 4914 B12R2.1 BrCC1CCc2c1cccc2 1P00BK9T [0,1,0,1,0,0|1,0,0]=3 4915 B12R2.1 BrCC1COc2c1cccc2 1P01C3GI [0,1,0,1,0,0|2,0,0]=4 4916 B12R2.1 CCC1CNc2c1cccc2 1P01AM9I [0,1,0,1,0,0|1,0,0]=3 4917 B12R2.1 CCC1NCc2c1cccc2 1P01ACJL [0,1,0,1,0,0|1,0,0]=3 4918 B12R2.1 CCC1NCc2c1cccc2 1P01EJL0 [0,1,0,1,0,0|1,0,0]=3 4919 B12R2.1 CCn1ccc2c1cccc2 1P008XV9 [0,1,0,1,0,0|0,0,2]=4 4920 B12R2.1 CCn1cnc2c1cccc2 1P00ICIL [0,1,0,1,0,0|1,0,1]=4 4921 B12R2.1 CCn1nnc2c1cccc2 1P0079UQ [0,1,0,1,0,0|2,0,0]=4 4922 B12R2.1 CNC1CCc2c1cccc2 1P002K5A [0,1,0,1,0,0|0,0,0]=2 4923 B12R2.1 CN[C@@H]1CCc2c1cccc2 1P027URY [0,1,0,1,0,0|0,0,0]=2 4924 B12R2.1 CNc1c[nH]c2c1cccc2 1P028RYV [0,1,0,1,0,0|0,0,2]=4 4925 B12R2.1 CNc1nsc2c1cccc2 1P01B5IS [0,1,0,1,0,0|1,0,1]=4 4926 B12R2.1 COC1OCc2c1cccc2 1P003E0F [0,1,0,1,0,0|1,0,0]=3 4927 B12R2.1 ClCn1nnc2c1cccc2 1P0032ZP [0,1,0,1,0,0|2,0,0]=4 4928 B12R2.1 N#CC1CCc2c1cccc2 1P002TQT [0,1,0,1,0,0|1,0,1]=4 4929 B12R2.1 N#CC1CSc2c1cccc2 1P01AMQS [0,1,0,1,0,0|2,0,0]=4 4930 B12R2.1 NCC1CCc2c1cccc2 1P009331 [0,1,0,1,0,0|1,0,0]=3 4931 B12R2.1 NCC1CCc2c1cccc2 1P00D8W6 [0,1,0,1,0,0|1,0,0]=3 4932 B12R2.1 NCC1CCc2c1nccc2 1P01B386 [0,1,0,1,0,0|2,0,0]=4 4933 B12R2.1 NCC1COc2c1cccc2 1P01A1L7 [0,1,0,1,0,0|2,0,0]=4 4934 B12R2.1 NCC1COc2c1cccc2 1P01A1LW [0,1,0,1,0,0|2,0,0]=4 4935 B12R2.1 NCC1CSc2c1cccc2 1P01ANJB [0,1,0,1,0,0|2,0,0]=4 4936 B12R2.1 NCC1OCc2c1cccc2 1P002CXT [0,1,0,1,0,0|2,0,0]=4 4937 B12R2.1 NN=C1CCc2c1cccc2 1P028OMI [0,1,0,1,0,0|1,0,1]=4 4938 B12R2.1 NNC1CCc2c1cccc2 1P028PDT [0,1,0,1,0,0|1,0,0]=3 4939 B12R2.1 O=CC1CCc2c1cccc2 1P01AH7Z [0,1,0,1,0,0|1,0,1]=4 4940 B12R2.1 O=CN1CCc2c1cccc2 1P002WC1 [0,1,0,1,0,0|0,0,1]=3 4941 B12R2.1 O=NN1CCc2c1cccc2 1P00G9SU [0,1,0,1,0,0|1,0,0]=3 4942 B12R2.1 O=NN1CCc2c1nccc2 1P0290KT [0,1,0,1,0,0|2,0,0]=4 4943 B12R2.1 OCC1CCc2c1cccc2 1P000PPG [0,1,0,1,0,0|1,0,0]=3 4944 B12R2.1 OCC1CCc2c1nccc2 1P01BI2K [0,1,0,1,0,0|2,0,0]=4 4945 B12R2.1 OCC1CNc2c1cccc2 1P00II7A [0,1,0,1,0,0|2,0,0]=4 4946 B12R2.1 OCC1CNc2c1cccc2 1P01AMHG [0,1,0,1,0,0|2,0,0]=4 4947 B12R2.1 OCC1CSc2c1cccc2 1P01ANGJ [0,1,0,1,0,0|2,0,0]=4 4948 B12R2.1 OCC1NCc2c1cccc2 1P01DN79 [0,1,0,1,0,0|2,0,0]=4 4949 B12R2.1 OCn1cnc2c1cccc2 1P007RRP [0,1,0,1,0,0|1,0,1]=4 4950 B12R2.1 OCn1nnc2c1cccc2 1P002W40 [0,1,0,1,0,0|2,0,0]=4 4951 B12R2.1 O\N=C/1\CCc2c1cccc2 1P003EVX [0,1,0,1,0,0|1,0,1]=4 4952 B12R2.11 CC1CC1Nc2ccccc2 1P01AM8S [0,1,0,1,0,0|1,0,0]=3 4953 B12R2.11 NC1CC1Cc2ccccc2 1P01ALG3 [0,1,0,1,0,0|1,0,0]=3 4954 B12R2.11 N[C@@H]1C[C@H]1Sc2ccccc2 1P028VGI [0,1,0,1,0,0|2,0,0]=4 4955 B12R2.23 CC1CNC1c2ccccc2 1P019T2Z [0,1,0,1,0,0|1,0,0]=3 4956 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [0,1,0,1,0,0|1,0,0]=3 4957 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 1P028M00 [0,1,0,1,0,0|2,0,0]=4 4958 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [0,1,0,1,0,0|1,0,1]=4 4959 B12R2.23 O=C1CCN1c2ccccc2 1P00DLNM [0,1,0,1,0,0|2,0,0]=4 4960 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [0,1,0,1,0,0|2,0,0]=4 4961 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [0,1,0,1,0,0|1,0,0]=3 4962 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [0,1,0,1,0,0|2,0,0]=4 4963 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [0,1,0,1,0,0|1,0,0]=3 4964 B12R2.2057 C(C1OC1)Cc2ccccc2 1P01A7CT [0,1,0,1,0,0|1,0,0]=3 4965 B12R2.2057 C1CC1CNc2ccccc2 1P00I7MW [0,1,0,1,0,0|1,0,0]=3 4966 B12R2.2057 N(C1CC1)Cc2ccccc2 1P0014WU [0,1,0,1,0,0|1,0,0]=3 4967 B12R2.2057 N(C1CC1)Cc2ccccc2 1P00CMB2 [0,1,0,1,0,0|1,0,0]=3 4968 B12R2.2057 N(C1CC1)Cc2ccncc2 1P00ADJF [0,1,0,1,0,0|2,0,0]=4 4969 B12R2.2057 O1CC1COc2ccccc2 1P0035FN [0,1,0,1,0,0|1,0,0]=3 4970 B12R2.2057 O1CC1CSc2ccccc2 1P00DGA9 [0,1,0,1,0,0|1,0,0]=3 4971 B12R2.2057 O1C[C@@H]1COc2ccccc2 1P003CRZ [0,1,0,1,0,0|1,0,0]=3 4972 B12R2.2057 c1ccc(cn1)CNC2CC2 1P00287L [0,1,0,1,0,0|2,0,0]=4 4973 B12R2.2057 c1ccc(cn1)CNC2CC2 1P00J28T [0,1,0,1,0,0|2,0,0]=4 4974 B12R2.2057 c1ccc(cn1)NCC2CC2 1P01A1FO [0,1,0,1,0,0|2,0,0]=4 4975 B12R2.2057 c1ccc(nc1)CNC2CC2 1P00EEI6 [0,1,0,1,0,0|2,0,0]=4 4976 B12R2.2057 c1ccc(nc1)NCC2CC2 1P027Y1Z [0,1,0,1,0,0|2,0,0]=4 4977 B12R2.2058 C1CC(C1)Nc2ccccc2 1P019F77 [0,1,0,1,0,0|1,0,0]=3 4978 B12R2.2058 C1CC(C1)Nc2ccccn2 1P028VS6 [0,1,0,1,0,0|2,0,0]=4 4979 B12R2.2058 C1CC(N1)Cc2ccccc2 1P019U4V [0,1,0,1,0,0|0,0,0]=2 4980 B12R2.2058 N1CC(=Cc2ccccc2)C1 1P027YZ9 [0,1,0,1,0,0|0,0,1]=3 4981 B12R2.2058 N1CC(C1)Cc2ccccc2 1P00GD0R [0,1,0,1,0,0|0,0,0]=2 4982 B12R2.2058 N1CC(C1)Cc2ccccn2 1P01ASP2 [0,1,0,1,0,0|1,0,0]=3 4983 B12R2.2058 N1CC(C1)Cc2cccnc2 1P01ASP1 [0,1,0,1,0,0|1,0,0]=3 4984 B12R2.2058 N1CC(C1)Cc2ccncc2 1P01ASP7 [0,1,0,1,0,0|1,0,0]=3 4985 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01BKLV [0,1,0,1,0,0|0,0,0]=2 4986 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01EKI0 [0,1,0,1,0,0|0,0,0]=2 4987 B12R2.2058 N1CC(C1)Nc2ccncn2 1P01KJJF [0,1,0,1,0,0|2,0,0]=4 4988 B12R2.2058 N1CC(C1)Nc2ncccn2 1P01F9HW [0,1,0,1,0,0|2,0,0]=4 4989 B12R2.2058 N1CC(C1)Oc2ccccc2 1P0038WI [0,1,0,1,0,0|0,0,0]=2 4990 B12R2.2058 N1CC(C1)Oc2ccccc2 1P00C2MF [0,1,0,1,0,0|0,0,0]=2 4991 B12R2.2058 N1CC(C1)Oc2ccccn2 1P01JM6Z [0,1,0,1,0,0|1,0,0]=3 4992 B12R2.2058 N1CC(C1)Oc2ccccn2 1P028M5C [0,1,0,1,0,0|1,0,0]=3 4993 B12R2.2058 N1CC(C1)Oc2cccnc2 1P00CGUT [0,1,0,1,0,0|1,0,0]=3 4994 B12R2.2058 N1CC(C1)Oc2cccnc2 1P01KJPG [0,1,0,1,0,0|1,0,0]=3 4995 B12R2.2058 N1CC(C1)Oc2ccncc2 1P00HILZ [0,1,0,1,0,0|1,0,0]=3 4996 B12R2.2058 N1CC(C1)Oc2ncccn2 1P028OC7 [0,1,0,1,0,0|2,0,0]=4 4997 B12R2.2058 N1CC(C1)Oc2nccnc2 1P0283F2 [0,1,0,1,0,0|2,0,0]=4 4998 B12R2.2058 N1CC(C1)Sc2ccccc2 1P01ATIC [0,1,0,1,0,0|0,0,0]=2 4999 B12R2.2058 O1CC(C1)Nc2ccccc2 1P01C1VA [0,1,0,1,0,0|1,0,0]=3 5000 B12R2.18 CC1C(C)Nc2c1cccc2 1P007Q06 [0,1,0,1,0,0|2,0,0]=4 5001 B12R2.18 CC1C(O)Cc2c1cccc2 1P019Z25 [0,1,0,1,0,0|1,0,0]=3 5002 B12R2.18 Cn1c(=N)sc2c1cccc2 1P001FO9 [0,1,0,1,0,0|1,0,1]=4 5003 B12R2.18 Cn1c(=N)sc2c1cccc2 1P01EI8D [0,1,0,1,0,0|1,0,1]=4 5004 B12R2.18 Cn1c(=O)[nH]c2c1cccc2 1P0038CR [0,1,0,1,0,0|1,0,1]=4 5005 B12R2.18 Cn1c(=O)oc2c1cccc2 1P003K5Q [0,1,0,1,0,0|1,0,1]=4 5006 B12R2.18 Cn1c(=S)oc2c1cccc2 1P00710J [0,1,0,1,0,0|1,0,1]=4 5007 B12R2.18 Cn1c(Br)cc2c1cccc2 1P0044BX [0,1,0,1,0,0|0,0,2]=4 5008 B12R2.18 Cn1c(Br)nc2c1cccc2 1P00DJ8E [0,1,0,1,0,0|1,0,1]=4 5009 B12R2.18 Cn1c(C)cc2c1cccc2 1P00IF3Y [0,1,0,1,0,0|0,0,2]=4 5010 B12R2.18 Cn1c(C)nc2c1cccc2 1P002WUY [0,1,0,1,0,0|1,0,1]=4 5011 B12R2.18 Cn1c(Cl)nc2c1cccc2 1P0038CQ [0,1,0,1,0,0|1,0,1]=4 5012 B12R2.18 Cn1c(N)cc2c1cccc2 1P00CLGJ [0,1,0,1,0,0|0,0,2]=4 5013 B12R2.18 Cn1c(N)nc2c1cccc2 1P001TCP [0,1,0,1,0,0|1,0,1]=4 5014 B12R2.18 Cn1c(O)cc2c1cccc2 1P00GWBZ [0,1,0,1,0,0|0,0,2]=4 5015 B12R2.18 Cn1c(S)nc2c1cccc2 1P00BFRQ [0,1,0,1,0,0|1,0,1]=4 5016 B12R2.18 NC1C(C)Cc2c1cccc2 1P00CXTW [0,1,0,1,0,0|2,0,0]=4 5017 B12R2.18 NC1C(C)Cc2c1cccc2 1P01AI1J [0,1,0,1,0,0|2,0,0]=4 5018 B12R2.18 NN1C(C)Cc2c1cccc2 1P0038JS [0,1,0,1,0,0|1,0,0]=3 5019 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P001U4O [0,1,0,1,0,0|2,0,0]=4 5020 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P01B2C3 [0,1,0,1,0,0|2,0,0]=4 5021 B12R2.18 N[C@@H]1[C@H](N)Cc2c1cccc2 1P028CYJ [0,1,0,1,0,0|2,0,0]=4 5022 B12R2.18 N[C@@H]1[C@H](O)Cc2c1cccc2 1P00737G [0,1,0,1,0,0|2,0,0]=4 5023 B12R2.18 N[C@H]1[C@H](C)Cc2c1cccc2 1P028AK2 [0,1,0,1,0,0|2,0,0]=4 5024 B12R2.18 N[C@H]1[C@H](O)Cc2c1cccc2 1P028096 [0,1,0,1,0,0|2,0,0]=4 5025 B12R2.18 O=C1C(Br)Cc2c1cccc2 1P0025TP [0,1,0,1,0,0|2,0,0]=4 5026 B12R2.18 O=C1C(C)Cc2c1cccc2 1P0020JO [0,1,0,1,0,0|2,0,0]=4 5027 B12R2.18 O=C1C(Cl)Cc2c1cccc2 1P00B2LH [0,1,0,1,0,0|2,0,0]=4 5028 B12R2.18 O=C1C(F)Cc2c1cccc2 1P00FGGF [0,1,0,1,0,0|2,0,0]=4 5029 B12R2.18 O=C1C(N)Cc2c1cccc2 1P00FJCX [0,1,0,1,0,0|2,0,0]=4 5030 B12R2.18 O=C1Cc2c(C1C)cccc2 1P019YQK [0,1,0,1,0,0|1,0,1]=4 5031 B12R2.18 O=C1Cc2c(N1C)cccc2 1P00339I [0,1,0,1,0,0|0,0,1]=3 5032 B12R2.18 O=C1Cc2c(N1C)cncc2 1P00B3BG [0,1,0,1,0,0|1,0,1]=4 5033 B12R2.18 O=C1Cc2c(N1C)nccc2 1P001P0O [0,1,0,1,0,0|1,0,1]=4 5034 B12R2.18 OC1C(Br)Cc2c1cccc2 1P0033LI [0,1,0,1,0,0|2,0,0]=4 5035 B12R2.18 OC1C(F)Cc2c1cccc2 1P01C4KF [0,1,0,1,0,0|2,0,0]=4 5036 B12R2.18 O[C@@H]1[C@@H](Br)Cc2c1cccc2 1P01ALKM [0,1,0,1,0,0|2,0,0]=4 5037 B12R2.18 O[C@@H]1[C@H](Br)Cc2c1cccc2 1P0022PB [0,1,0,1,0,0|2,0,0]=4 5038 B12R2.18 O[C@H]1Cc2c([C@H]1[NH3+])cccc2 1P00HUWA [0,1,0,1,0,0|2,0,0]=4 5039 B12R2.18 O[C@H]1[C@@H](N)Cc2c1cccc2 1P00BDOK [0,1,0,1,0,0|2,0,0]=4 5040 B12R2.18 O[C@H]1[C@H](Br)Cc2c1cccc2 1P003VCM [0,1,0,1,0,0|2,0,0]=4 5041 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009E8J [0,1,0,1,0,0|2,0,0]=4 5042 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009WJE [0,1,0,1,0,0|2,0,0]=4 5043 B12R2.37 CC1C(C1N)c2ccccc2 1P028KFB [0,1,0,1,0,0|1,0,0]=3 5044 B12R2.94 NC1(CC1)Cc2ccccc2 1P01ADMZ [0,1,0,1,0,0|1,0,0]=3 5045 B12R2.94 OC1(CC1)Cc2ccccc2 1P01AJWD [0,1,0,1,0,0|1,0,0]=3 5046 B12R2.2051 NCC1(C)Cc2c1cccc2 1P0292PX [0,1,0,1,0,0|2,0,0]=4 5047 B12R2.92 CC1(C)NC1c2ccccc2 1P00I4Z8 [0,1,0,1,0,0|2,0,0]=4 5048 B12R2.92 CC1(C)OC1c2ccccc2 1P00056M [0,1,0,1,0,0|2,0,0]=4 5049 B12R2.92 C[C@@]1(N)C[C@H]1c2ccccc2 1P01AMOG [0,1,0,1,0,0|1,0,0]=3 5050 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 1P028NJL [0,1,0,1,0,0|1,0,0]=3 5051 B12R2.92 C[C@]1(N)C[C@@H]1c2ccccc2 1P028V4E [0,1,0,1,0,0|1,0,0]=3 5052 B12R2.92 ClC1(Cl)CC1c2ccccc2 1P003C12 [0,1,0,1,0,0|2,0,0]=4 5053 B12R2.2403 CC1(C)CNc2c1cccc2 1P002FNX [0,1,0,1,0,0|2,0,0]=4 5054 B12R2.2403 CC1(C)CNc2c1cccc2 1P019ZZH [0,1,0,1,0,0|2,0,0]=4 5055 B12R2.2403 CC1(C)COc2c1cccc2 1P009JR8 [0,1,0,1,0,0|2,0,0]=4 5056 B12R2.2403 CC1(C)NCc2c1cccc2 1P00FYER [0,1,0,1,0,0|2,0,0]=4 5057 B12R2.2403 CC1(C)SCc2c1cccc2 1P01WK9L [0,1,0,1,0,0|2,0,0]=4 5058 B12R2.2403 CC1(N)CCc2c1cccc2 1P01C4XI [0,1,0,1,0,0|1,0,0]=3 5059 B12R2.2403 CC1(N)COc2c1cccc2 1P0282TC [0,1,0,1,0,0|2,0,0]=4 5060 B12R2.2403 CC1(O)CCc2c1cccc2 1P00EMDX [0,1,0,1,0,0|1,0,0]=3 5061 B12R2.2403 C[Si]1(C)OCc2c1cccc2 1P00CA06 [0,1,0,1,0,0|2,0,0]=4 5062 B12R2.2403 N=S1(=O)CCc2c1cccc2 1P01B5VA [0,1,0,1,0,0|2,0,0]=4 5063 B12R2.2403 O=S1(=O)CCc2c1cccc2 1P007KUJ [0,1,0,1,0,0|2,0,0]=4 5064 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [0,1,0,1,0,0|1,0,0]=3 5065 B12R2.3190 CC(C1Cc2c1cccc2)N 1P01A5WI [0,1,0,1,0,0|1,0,0]=3 5066 B12R2.3190 ClC(=O)C1Cc2c1cccc2 1P001F99 [0,1,0,1,0,0|2,0,0]=4 5067 B12R2.3190 NC(=N)C1Cc2c1cccc2 1P01A5IY [0,1,0,1,0,0|2,0,0]=4 5068 B12R2.3190 OC(=O)C1Cc2c1cccc2 1P001IVS [0,1,0,1,0,0|2,0,0]=4 5069 B12R3.12 c1ccc2c(c1)C3OC3C2 1P005ULA [0,0,0,2,0,0|1,0,0]=3 5070 B8R1.8 BrCCc1cccs1 1P002TU6 [1,0,0,0,1,0|2,0,0]=4 5071 B8R1.8 BrCCc1cscc1 1P00EEU2 [1,0,0,0,1,0|2,0,0]=4 5072 B8R1.8 BrCCn1cccc1 1P003DA3 [1,0,0,0,1,0|2,0,0]=4 5073 B8R1.8 CCCc1c[nH]nc1 1P00I4HL [1,0,0,0,1,0|2,0,0]=4 5074 B8R1.8 CCCc1cc[nH]n1 1P005UQF [1,0,0,0,1,0|2,0,0]=4 5075 B8R1.8 CCCc1ccc[nH]1 1P007FSL [1,0,0,0,1,0|1,0,0]=3 5076 B8R1.8 CCCc1cccs1 1P003IDK [1,0,0,0,1,0|1,0,0]=3 5077 B8R1.8 CCCc1cocn1 1P023RY6 [1,0,0,0,1,0|2,0,0]=4 5078 B8R1.8 CCCc1cscc1 1P003KB0 [1,0,0,0,1,0|1,0,0]=3 5079 B8R1.8 CCCc1ncc[nH]1 1P003IDI [1,0,0,0,1,0|2,0,0]=4 5080 B8R1.8 CCCc1nccs1 1P00250A [1,0,0,0,1,0|2,0,0]=4 5081 B8R1.8 CCCn1cccn1 1P003F3X [1,0,0,0,1,0|2,0,0]=4 5082 B8R1.8 CCCn1cncc1 1P0032P5 [1,0,0,0,1,0|2,0,0]=4 5083 B8R1.8 CCNc1cscc1 1P027WY1 [1,0,0,0,1,0|2,0,0]=4 5084 B8R1.8 CCOc1cccs1 1P01HY7F [1,0,0,0,1,0|2,0,0]=4 5085 B8R1.8 CCOc1cscc1 1P000BFR [1,0,0,0,1,0|2,0,0]=4 5086 B8R1.8 CNCc1c[nH]cn1 1P01A0V5 [1,0,0,0,1,0|2,0,0]=4 5087 B8R1.8 CNCc1c[nH]nc1 1P01AIIO [1,0,0,0,1,0|2,0,0]=4 5088 B8R1.8 CNCc1c[nH]nc1 1P027VI9 [1,0,0,0,1,0|2,0,0]=4 5089 B8R1.8 CNCc1cc[nH]n1 1P028LFR [1,0,0,0,1,0|2,0,0]=4 5090 B8R1.8 CNCc1ccc[nH]1 1P002S02 [1,0,0,0,1,0|1,0,0]=3 5091 B8R1.8 CNCc1ccc[nH]1 1P027XEF [1,0,0,0,1,0|1,0,0]=3 5092 B8R1.8 CNCc1ccco1 1P00D8RX [1,0,0,0,1,0|1,0,0]=3 5093 B8R1.8 CNCc1cccs1 1P003TMJ [1,0,0,0,1,0|1,0,0]=3 5094 B8R1.8 CNCc1cccs1 1P003TMK [1,0,0,0,1,0|1,0,0]=3 5095 B8R1.8 CNCc1ccn[nH]1 1P00FB0Z [1,0,0,0,1,0|2,0,0]=4 5096 B8R1.8 CNCc1ccon1 1P002ZO4 [1,0,0,0,1,0|2,0,0]=4 5097 B8R1.8 CNCc1ccon1 1P008SBA [1,0,0,0,1,0|2,0,0]=4 5098 B8R1.8 CNCc1cnc[nH]1 1P01DQ2Y [1,0,0,0,1,0|2,0,0]=4 5099 B8R1.8 CNCc1cnco1 1P028CGH [1,0,0,0,1,0|2,0,0]=4 5100 B8R1.8 CNCc1cncs1 1P00H3L5 [1,0,0,0,1,0|2,0,0]=4 5101 B8R1.8 CNCc1cocc1 1P002MAS [1,0,0,0,1,0|1,0,0]=3 5102 B8R1.8 CNCc1cocn1 1P027V8U [1,0,0,0,1,0|2,0,0]=4 5103 B8R1.8 CNCc1cscc1 1P002LC2 [1,0,0,0,1,0|1,0,0]=3 5104 B8R1.8 CNCc1cscc1 1P01EJFU [1,0,0,0,1,0|1,0,0]=3 5105 B8R1.8 CNCc1cscn1 1P0081AQ [1,0,0,0,1,0|2,0,0]=4 5106 B8R1.8 CNCc1ncc[nH]1 1P00DDPP [1,0,0,0,1,0|2,0,0]=4 5107 B8R1.8 CNCc1ncc[nH]1 1P00J3T9 [1,0,0,0,1,0|2,0,0]=4 5108 B8R1.8 CNCc1ncco1 1P027WJR [1,0,0,0,1,0|2,0,0]=4 5109 B8R1.8 CNCc1nccs1 1P001JI2 [1,0,0,0,1,0|2,0,0]=4 5110 B8R1.8 CNCc1nccs1 1P00J1AR [1,0,0,0,1,0|2,0,0]=4 5111 B8R1.8 CNCc1ncsc1 1P00J1AI [1,0,0,0,1,0|2,0,0]=4 5112 B8R1.8 COCc1cccs1 1P001LLJ [1,0,0,0,1,0|2,0,0]=4 5113 B8R1.8 COCc1cscc1 1P028GT6 [1,0,0,0,1,0|2,0,0]=4 5114 B8R1.8 COCn1cccc1 1P00ID6X [1,0,0,0,1,0|2,0,0]=4 5115 B8R1.8 CSCc1ccco1 1P003R63 [1,0,0,0,1,0|2,0,0]=4 5116 B8R1.8 ClCCc1cccs1 1P002CY4 [1,0,0,0,1,0|2,0,0]=4 5117 B8R1.8 ClCCn1cccc1 1P003DAD [1,0,0,0,1,0|2,0,0]=4 5118 B8R1.8 NCCc1[nH]cnc1 1P002N9R [1,0,0,0,1,0|2,0,0]=4 5119 B8R1.8 NCCc1c[nH]cc1 1P01BBDB [1,0,0,0,1,0|1,0,0]=3 5120 B8R1.8 NCCc1c[nH]cn1 1P0037UP [1,0,0,0,1,0|2,0,0]=4 5121 B8R1.8 NCCc1c[nH]nc1 1P00742Z [1,0,0,0,1,0|2,0,0]=4 5122 B8R1.8 NCCc1c[nH]nc1 1P01BCHB [1,0,0,0,1,0|2,0,0]=4 5123 B8R1.8 NCCc1cc[nH]n1 1P0085RD [1,0,0,0,1,0|2,0,0]=4 5124 B8R1.8 NCCc1cc[nH]n1 1P009FIS [1,0,0,0,1,0|2,0,0]=4 5125 B8R1.8 NCCc1ccc[nH]1 1P003F9F [1,0,0,0,1,0|1,0,0]=3 5126 B8R1.8 NCCc1ccco1 1P003HT8 [1,0,0,0,1,0|1,0,0]=3 5127 B8R1.8 NCCc1ccco1 1P00J3S8 [1,0,0,0,1,0|1,0,0]=3 5128 B8R1.8 NCCc1cccs1 1P0030KO [1,0,0,0,1,0|1,0,0]=3 5129 B8R1.8 NCCc1ccno1 1P01BRWE [1,0,0,0,1,0|2,0,0]=4 5130 B8R1.8 NCCc1ccno1 1P0286ZF [1,0,0,0,1,0|2,0,0]=4 5131 B8R1.8 NCCc1ccon1 1P01A2VX [1,0,0,0,1,0|2,0,0]=4 5132 B8R1.8 NCCc1cocc1 1P01ADC8 [1,0,0,0,1,0|1,0,0]=3 5133 B8R1.8 NCCc1cocc1 1P01B713 [1,0,0,0,1,0|1,0,0]=3 5134 B8R1.8 NCCc1conc1 1P00HF7E [1,0,0,0,1,0|2,0,0]=4 5135 B8R1.8 NCCc1cscc1 1P0038IN [1,0,0,0,1,0|1,0,0]=3 5136 B8R1.8 NCCc1cscc1 1P00EA5P [1,0,0,0,1,0|1,0,0]=3 5137 B8R1.8 NCCc1cscn1 1P008NUY [1,0,0,0,1,0|2,0,0]=4 5138 B8R1.8 NCCc1nc[nH]c1 1P0035GO [1,0,0,0,1,0|2,0,0]=4 5139 B8R1.8 NCCc1nc[nH]c1 1P003REF [1,0,0,0,1,0|2,0,0]=4 5140 B8R1.8 NCCc1ncc[nH]1 1P00I025 [1,0,0,0,1,0|2,0,0]=4 5141 B8R1.8 NCCc1ncco1 1P0284E7 [1,0,0,0,1,0|2,0,0]=4 5142 B8R1.8 NCCc1nccs1 1P003AOM [1,0,0,0,1,0|2,0,0]=4 5143 B8R1.8 NCCc1nccs1 1P0075VS [1,0,0,0,1,0|2,0,0]=4 5144 B8R1.8 NCCc1ncoc1 1P024XO7 [1,0,0,0,1,0|2,0,0]=4 5145 B8R1.8 NCCc1ncoc1 1P028SJK [1,0,0,0,1,0|2,0,0]=4 5146 B8R1.8 NCCc1ncsc1 1P00G8VN [1,0,0,0,1,0|2,0,0]=4 5147 B8R1.8 NCCc1ocnc1 1P028E9Y [1,0,0,0,1,0|2,0,0]=4 5148 B8R1.8 NCCc1scnc1 1P00G9Z1 [1,0,0,0,1,0|2,0,0]=4 5149 B8R1.8 NCCn1cccc1 1P002ZMK [1,0,0,0,1,0|1,0,0]=3 5150 B8R1.8 NCCn1cccn1 1P0004UZ [1,0,0,0,1,0|2,0,0]=4 5151 B8R1.8 NCCn1cccn1 1P00J1AE [1,0,0,0,1,0|2,0,0]=4 5152 B8R1.8 NCCn1cncc1 1P003F64 [1,0,0,0,1,0|2,0,0]=4 5153 B8R1.8 NCCn1cncc1 1P00APN2 [1,0,0,0,1,0|2,0,0]=4 5154 B8R1.8 NCCn1cncc1 1P00J9QA [1,0,0,0,1,0|2,0,0]=4 5155 B8R1.8 NNCc1cccs1 1P00J317 [1,0,0,0,1,0|2,0,0]=4 5156 B8R1.8 NNCc1cscc1 1P01BDCM [1,0,0,0,1,0|2,0,0]=4 5157 B8R1.8 NNCc1cscc1 1P01BDDR [1,0,0,0,1,0|2,0,0]=4 5158 B8R1.8 NOCc1cccs1 1P01P0SG [1,0,0,0,1,0|2,0,0]=4 5159 B8R1.8 OCCc1ccc[nH]1 1P006ZXJ [1,0,0,0,1,0|2,0,0]=4 5160 B8R1.8 OCCc1ccco1 1P00BZB3 [1,0,0,0,1,0|2,0,0]=4 5161 B8R1.8 OCCc1cccs1 1P0033WO [1,0,0,0,1,0|2,0,0]=4 5162 B8R1.8 OCCc1cocc1 1P0037R8 [1,0,0,0,1,0|2,0,0]=4 5163 B8R1.8 OCCc1cscc1 1P0014C9 [1,0,0,0,1,0|2,0,0]=4 5164 B8R1.8 OCCn1cccc1 1P003DBI [1,0,0,0,1,0|2,0,0]=4 5165 B8R1.8 SCCc1ccco1 1P01HNHQ [1,0,0,0,1,0|2,0,0]=4 5166 B8R1.8 SCCc1cccs1 1P01HCS8 [1,0,0,0,1,0|2,0,0]=4 5167 B8R1.8 SCCc1cscc1 1P028DTF [1,0,0,0,1,0|2,0,0]=4