0 B11R1.40 BrC(Cc1ccccc1)C#N 1P00ERAI [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 BrCC(=O)Cc1ccccc1 1P002JOF [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 C#CC(=O)Cc1ccccc1 1P01A2K5 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.40 C=CC(=O)Cc1ccccc1 1P01ADIQ [0,0,0,0,0,0|2,0,2]=4 4 B11R1.40 C=CC(Cc1ccccc1)O 1P00ENKF [0,0,0,0,0,0|2,0,1]=3 5 B11R1.40 C=C[C@@H](Cc1ccccc1)N 1P01EV25 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.40 C=C[C@H](Cc1ccccc1)N 1P001GVE [0,0,0,0,0,0|2,0,1]=3 7 B11R1.40 CC(NC)Cc1cnccn1 1P00GVWO [0,0,0,0,0,0|2,0,0]=2 8 B11R1.40 CC(Nc1ccccc1)C#N 1P00BK55 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.40 CC(Oc1ccccc1)C#N 1P01AIKQ [0,0,0,0,0,0|3,0,0]=3 10 B11R1.40 CC(Sc1ccccc1)C#N 1P01EK9I [0,0,0,0,0,0|3,0,0]=3 11 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.40 CCC(=O)Cc1cccnc1 1P01BIVT [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 CCC(=O)Nc1ccccc1 1P0037QW [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 CCC(=O)Oc1ccccc1 1P00EG93 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [0,0,0,0,0,0|2,0,0]=2 16 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [0,0,0,0,0,0|2,0,0]=2 17 B11R1.40 CCC(Cc1ccncc1)Br 1P01B1VS [0,0,0,0,0,0|3,0,0]=3 18 B11R1.40 CCC(Cc1ccncc1)O 1P01AG8M [0,0,0,0,0,0|3,0,0]=3 19 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [0,0,0,0,0,0|2,0,0]=2 20 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [0,0,0,0,0,0|2,0,0]=2 21 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [0,0,0,0,0,0|2,0,0]=2 22 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [0,0,0,0,0,0|2,0,0]=2 23 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [0,0,0,0,0,0|2,0,0]=2 24 B11R1.40 CNC(=Cc1ccccc1)C 1P01B1W1 [0,0,0,0,0,0|0,0,2]=2 25 B11R1.40 CNC(=O)Cc1ccccc1 1P00FF7Y [0,0,0,0,0,0|1,0,1]=2 26 B11R1.40 CNC(=O)Cc1cccnc1 1P009TNL [0,0,0,0,0,0|2,0,1]=3 27 B11R1.40 CNC(=O)Nc1ccccc1 1P008SLO [0,0,0,0,0,0|2,0,1]=3 28 B11R1.40 CNC(=O)Oc1ccccc1 1P007S45 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.40 CNC(=S)Nc1ccccc1 1P007M3I [0,0,0,0,0,0|2,0,1]=3 30 B11R1.40 CNC(Cc1ccccc1)O 1P00BJTS [0,0,0,0,0,0|1,0,0]=1 31 B11R1.40 CNC(Cc1ccccn1)C 1P00D9XC [0,0,0,0,0,0|1,0,0]=1 32 B11R1.40 COC(=N)Cc1ccccc1 1P00CMTE [0,0,0,0,0,0|2,0,1]=3 33 B11R1.40 COC(=O)Cc1ccccc1 1P0003W2 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.40 COC(=O)Cc1ccccn1 1P001WTF [0,0,0,0,0,0|3,0,1]=4 35 B11R1.40 COC(=O)Cc1cccnc1 1P0037QD [0,0,0,0,0,0|3,0,1]=4 36 B11R1.40 COC(=O)Cc1ccncc1 1P0035OG [0,0,0,0,0,0|3,0,1]=4 37 B11R1.40 COC(=O)Cc1ccncc1 1P003SCV [0,0,0,0,0,0|3,0,1]=4 38 B11R1.40 COC(=O)Nc1ccccc1 1P002RWQ [0,0,0,0,0,0|3,0,1]=4 39 B11R1.40 COC(=O)Oc1ccccc1 1P003SIP [0,0,0,0,0,0|3,0,1]=4 40 B11R1.40 ClC(Cc1ccccc1)C#N 1P0026K2 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.40 ClCC(=O)Cc1ccccc1 1P0061Y1 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [0,0,0,0,0,0|3,0,0]=3 43 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.40 FC(Sc1ccccc1)C#N 1P000V5T [0,0,0,0,0,0|4,0,0]=4 45 B11R1.40 NC(Cc1ccccc1)C#C 1P028V90 [0,0,0,0,0,0|2,0,1]=3 46 B11R1.40 NC(Cc1ccccc1)C#N 1P00DL1I [0,0,0,0,0,0|3,0,0]=3 47 B11R1.40 NC(Cc1ccccc1)C#N 1P00II4N [0,0,0,0,0,0|3,0,0]=3 48 B11R1.40 NCC(=O)Cc1ccccc1 1P00334Z [0,0,0,0,0,0|3,0,1]=4 49 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [0,0,0,0,0,0|3,0,0]=3 51 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [0,0,0,0,0,0|3,0,0]=3 52 B11R1.40 NCC(Cc1ccccn1)C 1P01BU05 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.40 NCC(Cc1ccccn1)C 1P027VI5 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.40 NCC(Cc1cccnc1)O 1P028Y27 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.40 NCC(Nc1ccccc1)C 1P019TJC [0,0,0,0,0,0|3,0,0]=3 56 B11R1.40 NCC(Oc1ccccc1)C 1P003IBC [0,0,0,0,0,0|3,0,0]=3 57 B11R1.40 NCC(Oc1ccccc1)C 1P00IKNL [0,0,0,0,0,0|3,0,0]=3 58 B11R1.40 NCC(Oc1cccnc1)C 1P0048SZ [0,0,0,0,0,0|4,0,0]=4 59 B11R1.40 NCC(Sc1ccccc1)C 1P019SS7 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [0,0,0,0,0,0|3,0,0]=3 61 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [0,0,0,0,0,0|3,0,0]=3 62 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [0,0,0,0,0,0|3,0,0]=3 63 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [0,0,0,0,0,0|3,0,0]=3 64 B11R1.40 NNC(=O)C[n+]1ccccc1 1P0032Z5 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.40 NNC(=O)Cc1ccccc1 1P003U67 [0,0,0,0,0,0|2,0,1]=3 66 B11R1.40 NNC(=O)Cc1ccccn1 1P005PSM [0,0,0,0,0,0|3,0,1]=4 67 B11R1.40 NNC(=O)Cc1cccnc1 1P002B6V [0,0,0,0,0,0|3,0,1]=4 68 B11R1.40 NNC(=O)Cc1ccncc1 1P00FB95 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG8 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.40 NNC(=O)Nc1ccccc1 1P003MG9 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.40 NNC(=O)Oc1ccccc1 1P003B60 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.40 NNC(=S)Nc1ccccc1 1P003MFV [0,0,0,0,0,0|3,0,1]=4 73 B11R1.40 NNC(Cc1ccccc1)C 1P01FJMD [0,0,0,0,0,0|1,0,0]=1 74 B11R1.40 O=CC(=Cc1ccccc1)C 1P0003W3 [0,0,0,0,0,0|2,0,2]=4 75 B11R1.40 O=CC(Cc1ccccc1)C 1P00DKC9 [0,0,0,0,0,0|2,0,0]=2 76 B11R1.40 O=CN(C)CC1=CC=CC=C1 1P01KHTP [0,0,0,0,0,0|3,0,0]=3 77 B11R1.40 O=C\C(=C\c1ccccc1)\C 1P00ACHR [0,0,0,0,0,0|2,0,2]=4 78 B11R1.40 O=NN(Cc1ccccc1)C 1P01BJ40 [0,0,0,0,0,0|2,0,1]=3 79 B11R1.40 O=NN(Cc1cccnc1)C 1P01XLZV [0,0,0,0,0,0|3,0,1]=4 80 B11R1.40 OC(Cc1ccccc1)C#C 1P00DAP6 [0,0,0,0,0,0|2,0,1]=3 81 B11R1.40 OC(Cc1ccccc1)C#N 1P006V4A [0,0,0,0,0,0|3,0,0]=3 82 B11R1.40 OCC(=Cc1ccccc1)C 1P001N1I [0,0,0,0,0,0|2,0,2]=4 83 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [0,0,0,0,0,0|3,0,0]=3 85 B11R1.40 OCC(Cc1ccccn1)N 1P01BDEZ [0,0,0,0,0,0|4,0,0]=4 86 B11R1.40 OCC(Cc1cccnc1)N 1P01BDC0 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.40 OCC(Cc1ccncc1)N 1P01BDD8 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [0,0,0,0,0,0|3,0,0]=3 89 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [0,0,0,0,0,0|3,0,0]=3 90 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [0,0,0,0,0,0|3,0,0]=3 92 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [0,0,0,0,0,0|3,0,0]=3 94 B11R1.40 ON=C(Cc1ccccc1)Cl 1P00ICH1 [0,0,0,0,0,0|2,0,2]=4 95 B11R1.40 ON=C(Cc1ccncc1)C 1P00B9HK [0,0,0,0,0,0|2,0,2]=4 96 B11R1.40 ONC(=N)Cc1ccccc1 1P002G98 [0,0,0,0,0,0|2,0,1]=3 97 B11R1.40 ONC(=N)Cc1cccnc1 1P0013TZ [0,0,0,0,0,0|3,0,1]=4 98 B11R1.40 ONC(=O)Cc1ccccc1 1P00DAOE [0,0,0,0,0,0|2,0,1]=3 99 B11R1.40 ONC(=O)Oc1ccccc1 1P00CYVR [0,0,0,0,0,0|3,0,1]=4 100 B10R1.17 BrCCCc1ccccc1 1P003EL3 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [1,0,0,0,0,0|3,0,0]=4 102 B10R1.17 BrCCCc1ccncc1 1P01A6KW [1,0,0,0,0,0|3,0,0]=4 103 B10R1.17 BrCCOc1ccccc1 1P003IB5 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.17 BrCCSc1ccccc1 1P003H8K [1,0,0,0,0,0|3,0,0]=4 105 B10R1.17 BrCOCc1ccccc1 1P0025GN [1,0,0,0,0,0|3,0,0]=4 106 B10R1.17 C#CCOc1ccccc1 1P003U5X [1,0,0,0,0,0|2,0,1]=4 107 B10R1.17 C#CCSc1ccccc1 1P003U5Y [1,0,0,0,0,0|2,0,1]=4 108 B10R1.17 C=CCCc1ccccc1 1P003MFS [1,0,0,0,0,0|1,0,1]=3 109 B10R1.17 C=CCCc1ccccn1 1P002M25 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.17 C=CCCc1cccnc1 1P00663U [1,0,0,0,0,0|2,0,1]=4 111 B10R1.17 C=CCNc1ccccc1 1P003T6A [1,0,0,0,0,0|2,0,1]=4 112 B10R1.17 C=CCOc1ccccc1 1P00209R [1,0,0,0,0,0|2,0,1]=4 113 B10R1.17 C=CCSc1ccccc1 1P003O6K [1,0,0,0,0,0|2,0,1]=4 114 B10R1.17 C=COCc1ccccc1 1P003AEJ [1,0,0,0,0,0|2,0,1]=4 115 B10R1.17 C=NOCc1ccccc1 1P027KVW [1,0,0,0,0,0|1,0,2]=4 116 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [1,0,0,0,0,0|1,0,2]=4 117 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [1,0,0,0,0,0|2,0,0]=3 120 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [1,0,0,0,0,0|2,0,0]=3 121 B10R1.17 CCCC[n+]1ccccc1 1P007726 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [1,0,0,0,0,0|2,0,0]=3 123 B10R1.17 CCCCc1ccccc1 1P003P2W [1,0,0,0,0,0|1,0,0]=2 124 B10R1.17 CCCCc1ccccn1 1P01FFM0 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.17 CCCCc1cccnc1 1P00343V [1,0,0,0,0,0|2,0,0]=3 126 B10R1.17 CCCCc1ccncc1 1P00I9ZL [1,0,0,0,0,0|2,0,0]=3 127 B10R1.17 CCCNc1ccccc1 1P003TSL [1,0,0,0,0,0|2,0,0]=3 128 B10R1.17 CCCNc1cccnc1 1P019YSP [1,0,0,0,0,0|3,0,0]=4 129 B10R1.17 CCCOc1ccccc1 1P00E98Z [1,0,0,0,0,0|2,0,0]=3 130 B10R1.17 CCCSc1ccccn1 1P01EV41 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.17 CCNCc1ccccc1 1P003TGS [1,0,0,0,0,0|2,0,0]=3 132 B10R1.17 CCNCc1ccccn1 1P003SQR [1,0,0,0,0,0|3,0,0]=4 133 B10R1.17 CCNCc1cccnc1 1P003TH6 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.17 CCNCc1ccncc1 1P003KOX [1,0,0,0,0,0|3,0,0]=4 135 B10R1.17 CCSCc1ccccn1 1P007ETZ [1,0,0,0,0,0|3,0,0]=4 136 B10R1.17 CNC=Nc1cccnc1 1P01EKJS [1,0,0,0,0,0|2,0,1]=4 137 B10R1.17 CNCCc1ccccc1 1P003TP4 [1,0,0,0,0,0|0,0,0]=1 138 B10R1.17 CNCCc1ccccc1 1P00CJS7 [1,0,0,0,0,0|0,0,0]=1 139 B10R1.17 CNCCc1ccccn1 1P003OMV [1,0,0,0,0,0|1,0,0]=2 140 B10R1.17 CNCCc1ccccn1 1P003TMX [1,0,0,0,0,0|1,0,0]=2 141 B10R1.17 CNCCc1ccccn1 1P00IAF0 [1,0,0,0,0,0|1,0,0]=2 142 B10R1.17 CNCCc1cccnc1 1P00025V [1,0,0,0,0,0|1,0,0]=2 143 B10R1.17 CNCCc1cccnc1 1P0039D0 [1,0,0,0,0,0|1,0,0]=2 144 B10R1.17 CNCCc1ccncc1 1P0004J6 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.17 CNCCc1ccncc1 1P00D8ZU [1,0,0,0,0,0|1,0,0]=2 146 B10R1.17 CNCCc1cnccn1 1P01A4OO [1,0,0,0,0,0|2,0,0]=3 147 B10R1.17 CNCCc1ncccn1 1P01FKV1 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.17 CNNCc1ccccc1 1P007YMP [1,0,0,0,0,0|1,0,0]=2 149 B10R1.17 CNNCc1ccccc1 1P01EKFO [1,0,0,0,0,0|1,0,0]=2 150 B10R1.17 CNNCc1cccnc1 1P00IGF8 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.17 CNOCc1ccccc1 1P005PAZ [1,0,0,0,0,0|1,0,0]=2 152 B10R1.17 CNOCc1ccccc1 1P01A29U [1,0,0,0,0,0|1,0,0]=2 153 B10R1.17 COCCc1ccccc1 1P003C4E [1,0,0,0,0,0|1,0,0]=2 154 B10R1.17 COCSc1ccccc1 1P0019FA [1,0,0,0,0,0|2,0,0]=3 155 B10R1.17 CONCc1ccccc1 1P006Y6C [1,0,0,0,0,0|2,0,0]=3 156 B10R1.17 CONCc1ccccc1 1P01A5XA [1,0,0,0,0,0|2,0,0]=3 157 B10R1.17 ClCCCc1ccccc1 1P003BI4 [1,0,0,0,0,0|2,0,0]=3 158 B10R1.17 ClCCCc1ccccn1 1P01A6KY [1,0,0,0,0,0|3,0,0]=4 159 B10R1.17 ClCCCc1cccnc1 1P002L24 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.17 ClCCCc1ccncc1 1P00AKXB [1,0,0,0,0,0|3,0,0]=4 161 B10R1.17 ClCCNc1ccccc1 1P01DXCM [1,0,0,0,0,0|3,0,0]=4 162 B10R1.17 ClCCNc1ccccc1 1P0280C1 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.17 ClCCOc1ccccc1 1P00IBGC [1,0,0,0,0,0|3,0,0]=4 164 B10R1.17 ClCCSc1ccccc1 1P003C3J [1,0,0,0,0,0|3,0,0]=4 165 B10R1.17 ClCOCc1ccccc1 1P0034YY [1,0,0,0,0,0|3,0,0]=4 166 B10R1.17 ClCSCc1ccccc1 1P003OKP [1,0,0,0,0,0|3,0,0]=4 167 B10R1.17 ICCCc1ccccc1 1P003EWA [1,0,0,0,0,0|2,0,0]=3 168 B10R1.17 ICCOc1ccccc1 1P00C6JI [1,0,0,0,0,0|3,0,0]=4 169 B10R1.17 N#CCCc1ccccc1 1P003KCJ [1,0,0,0,0,0|2,0,0]=3 170 B10R1.17 N#CCCc1ccccn1 1P00C65K [1,0,0,0,0,0|3,0,0]=4 171 B10R1.17 N#CCCc1ccncc1 1P004YZ0 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.17 N#CCNc1ccccc1 1P00I63F [1,0,0,0,0,0|3,0,0]=4 173 B10R1.17 N#CCOc1ccccc1 1P003U55 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.17 N#CCSc1ccccc1 1P003U6Y [1,0,0,0,0,0|3,0,0]=4 175 B10R1.17 N#CSCc1ccccc1 1P003OLC [1,0,0,0,0,0|3,0,0]=4 176 B10R1.17 NCCCc1ccccc1 1P0029L7 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.17 NCCCc1ccccn1 1P001OQL [1,0,0,0,0,0|3,0,0]=4 178 B10R1.17 NCCCc1ccccn1 1P01DW4S [1,0,0,0,0,0|3,0,0]=4 179 B10R1.17 NCCCc1cccnc1 1P003IJD [1,0,0,0,0,0|3,0,0]=4 180 B10R1.17 NCCCc1cccnc1 1P00G3KB [1,0,0,0,0,0|3,0,0]=4 181 B10R1.17 NCCCc1cccnc1 1P00GW1W [1,0,0,0,0,0|3,0,0]=4 182 B10R1.17 NCCCc1ccncc1 1P0030W7 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.17 NCCNc1ccccc1 1P001X6L [1,0,0,0,0,0|3,0,0]=4 184 B10R1.17 NCCOc1ccccc1 1P0021OC [1,0,0,0,0,0|3,0,0]=4 185 B10R1.17 NCCOc1ccccc1 1P0027L1 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.17 NCCSc1ccccc1 1P002DUS [1,0,0,0,0,0|3,0,0]=4 187 B10R1.17 NCCSc1ccccc1 1P00J3FE [1,0,0,0,0,0|3,0,0]=4 188 B10R1.17 NNCCc1ccccc1 1P001OVR [1,0,0,0,0,0|1,0,0]=2 189 B10R1.17 NNCCc1ccccc1 1P00B63Y [1,0,0,0,0,0|1,0,0]=2 190 B10R1.17 NNCCc1ccccc1 1P00DB0J [1,0,0,0,0,0|1,0,0]=2 191 B10R1.17 NNCCc1ccccc1 1P00I9LM [1,0,0,0,0,0|1,0,0]=2 192 B10R1.17 NNCCc1ccccn1 1P006VW3 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.17 NNCCc1ccccn1 1P01A12H [1,0,0,0,0,0|2,0,0]=3 194 B10R1.17 NNCCc1ccncc1 1P01BA79 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.17 NOCCc1ccccc1 1P0071ZN [1,0,0,0,0,0|2,0,0]=3 196 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.17 O=CCCc1ccccc1 1P003RFA [1,0,0,0,0,0|2,0,0]=3 198 B10R1.17 O=CCCc1ccccn1 1P00BGWO [1,0,0,0,0,0|3,0,0]=4 199 B10R1.17 O=CCCc1cccnc1 1P00228Y [1,0,0,0,0,0|3,0,0]=4 200 B10R1.17 O=CCCc1ccncc1 1P0075XB [1,0,0,0,0,0|3,0,0]=4 201 B10R1.17 O=CCOc1ccccc1 1P007P8S [1,0,0,0,0,0|3,0,0]=4 202 B10R1.17 O=CNCc1ccccc1 1P003T8E [1,0,0,0,0,0|3,0,0]=4 203 B10R1.17 O=COCc1ccccc1 1P008RMC [1,0,0,0,0,0|3,0,0]=4 204 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.17 OCCCc1ccccc1 1P00170B [1,0,0,0,0,0|2,0,0]=3 206 B10R1.17 OCCCc1ccccn1 1P002W8D [1,0,0,0,0,0|3,0,0]=4 207 B10R1.17 OCCCc1ccccn1 1P003II3 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.17 OCCCc1cccnc1 1P002W8E [1,0,0,0,0,0|3,0,0]=4 209 B10R1.17 OCCCc1ccncc1 1P002T2T [1,0,0,0,0,0|3,0,0]=4 210 B10R1.17 OCCNc1ccccc1 1P00170A [1,0,0,0,0,0|3,0,0]=4 211 B10R1.17 OCCOc1ccccc1 1P0033W0 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.17 OCCSc1ccccc1 1P003FKS [1,0,0,0,0,0|3,0,0]=4 213 B10R1.17 ONCCc1ccccc1 1P00CZ3B [1,0,0,0,0,0|1,0,0]=2 214 B10R1.17 S=C=NCc1ccccc1 1P0034Z1 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.17 SCCCc1ccccc1 1P002PQQ [1,0,0,0,0,0|2,0,0]=3 216 B10R1.17 SCCCc1ccncc1 1P00CEFN [1,0,0,0,0,0|3,0,0]=4 217 B10R1.17 SCCOc1ccccc1 1P0037FU [1,0,0,0,0,0|3,0,0]=4 218 B10R1.17 SCCSc1ccccc1 1P00ALQK [1,0,0,0,0,0|3,0,0]=4 219 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [1,0,0,0,0,0|0,0,2]=3 220 B10R1.17 [C-]#[N+]CSc1ccccc1 1P0281A6 [1,0,0,0,0,0|1,0,2]=4 221 B10R1.17 [N-]=[N+]=NCc1ccccc1 1P003OKM [1,0,0,0,0,0|2,0,1]=4 222 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [1,0,0,0,0,0|1,0,2]=4 223 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [1,0,0,0,0,0|0,0,2]=3 224 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [1,0,0,0,0,0|0,0,2]=3 225 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [1,0,0,0,0,0|2,0,1]=4 226 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [1,0,0,0,0,0|2,0,1]=4 227 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [1,0,0,0,0,0|2,0,1]=4 228 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [1,0,0,0,0,0|2,0,1]=4 229 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [1,0,0,0,0,0|2,0,1]=4 230 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [1,0,0,0,0,0|2,0,1]=4 231 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [1,0,0,0,0,0|2,0,1]=4 233 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [1,0,0,0,0,0|2,0,1]=4 234 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [1,0,0,0,0,0|2,0,1]=4 235 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [1,0,0,0,0,0|1,0,0]=2 236 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [1,0,0,0,0,0|0,0,0]=1 237 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [1,0,0,0,0,0|1,0,0]=2 238 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [1,0,0,0,0,0|1,0,0]=2 239 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [1,0,0,0,0,0|1,0,0]=2 240 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [1,0,0,0,0,0|2,0,0]=3 241 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [1,0,0,0,0,0|1,0,0]=2 242 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [1,0,0,0,0,0|1,0,0]=2 243 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [1,0,0,0,0,0|2,0,0]=3 244 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [1,0,0,0,0,0|2,0,0]=3 245 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [1,0,0,0,0,0|1,0,0]=2 246 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [1,0,0,0,0,0|2,0,0]=3 247 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [1,0,0,0,0,0|2,0,0]=3 248 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [1,0,0,0,0,0|3,0,0]=4 249 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [1,0,0,0,0,0|1,0,0]=2 250 B10R1.18 CC(Nc1ccccn1)C 1P001O3W [1,0,0,0,0,0|2,0,0]=3 251 B10R1.18 CC(Nc1cccnc1)C 1P00CMF9 [1,0,0,0,0,0|2,0,0]=3 252 B10R1.18 CC(Nc1cccnn1)C 1P00A0MP [1,0,0,0,0,0|3,0,0]=4 253 B10R1.18 CC(Nc1ncccn1)C 1P007434 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [1,0,0,0,0,0|1,0,0]=2 255 B10R1.18 CC(Oc1ccccn1)C 1P001W03 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.18 CC(Oc1cccnc1)C 1P004EQ5 [1,0,0,0,0,0|2,0,0]=3 257 B10R1.18 CC(Oc1ccncc1)C 1P00DC8D [1,0,0,0,0,0|2,0,0]=3 258 B10R1.18 CN(Cc1[c-]cccc1)C 1P003Q4B [1,0,0,0,0,0|1,0,1]=3 259 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [1,0,0,0,0,0|1,0,0]=2 260 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [1,0,0,0,0,0|2,0,0]=3 261 B10R1.18 CN(Cc1ccccn1)C 1P01DWWA [1,0,0,0,0,0|2,0,0]=3 262 B10R1.18 CN(Cc1ccccn1)C 1P028WOR [1,0,0,0,0,0|2,0,0]=3 263 B10R1.18 CN(Cc1cccnc1)C 1P002ALG [1,0,0,0,0,0|2,0,0]=3 264 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [1,0,0,0,0,0|1,0,0]=2 265 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [1,0,0,0,0,0|1,0,0]=2 266 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [1,0,0,0,0,0|1,0,0]=2 267 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [1,0,0,0,0,0|0,1,0]=2 268 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [1,0,0,0,0,0|2,0,1]=4 269 B10R1.18 ClC([SiH2]c1ccccc1)Cl 1P001LSR [1,0,0,0,0,0|2,1,0]=4 270 B10R1.18 FC(Oc1ccccc1)F 1P0032NU [1,0,0,0,0,0|3,0,0]=4 271 B10R1.18 FC(Sc1ccccc1)F 1P00B00G [1,0,0,0,0,0|3,0,0]=4 272 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [1,0,0,0,0,0|1,0,1]=3 273 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [1,0,0,0,0,0|2,0,1]=4 274 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [1,0,0,0,0,0|2,0,1]=4 275 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [1,0,0,0,0,0|2,0,1]=4 276 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [1,0,0,0,0,0|2,0,1]=4 277 B10R1.18 NC(=N)Nc1ccccc1 1P002D2V [1,0,0,0,0,0|2,0,1]=4 278 B10R1.18 NC(=N)Nc1ccccc1 1P003U6D [1,0,0,0,0,0|2,0,1]=4 279 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [1,0,0,0,0,0|2,0,1]=4 280 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [1,0,0,0,0,0|1,0,1]=3 281 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [1,0,0,0,0,0|2,0,1]=4 282 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [1,0,0,0,0,0|2,0,1]=4 283 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [1,0,0,0,0,0|2,0,1]=4 284 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [1,0,0,0,0,0|2,0,1]=4 285 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [1,0,0,0,0,0|2,0,1]=4 286 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [1,0,0,0,0,0|1,0,1]=3 287 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [1,0,0,0,0,0|2,0,1]=4 288 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [1,0,0,0,0,0|2,0,1]=4 289 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.18 OB(Cc1ccccc1)O 1P0037O9 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [1,0,0,0,0,0|3,0,0]=4 293 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [1,0,0,0,0,0|3,0,0]=4 294 B10R1.18 [O-][N+](=Cc1ccccc1)C 1P007JA1 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [1,0,0,0,0,0|3,0,0]=4 296 B12R1.32 BrCCN(Cc1ccccc1)C 1P01BERH [0,1,0,0,0,0|2,0,0]=3 297 B12R1.32 C=CCC(Cc1ccccc1)N 1P00COKP [0,1,0,0,0,0|2,0,1]=4 298 B12R1.32 C=CCC(Cc1ccccc1)O 1P01B84V [0,1,0,0,0,0|2,0,1]=4 299 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [0,1,0,0,0,0|0,0,2]=3 300 B12R1.32 CCCC(=O)Cc1ccccc1 1P003F3D [0,1,0,0,0,0|2,0,1]=4 301 B12R1.32 CCCC(Cc1ccccc1)N 1P00F6WG [0,1,0,0,0,0|2,0,0]=3 302 B12R1.32 CCCC(Nc1ccccc1)C 1P019XTJ [0,1,0,0,0,0|2,0,0]=3 303 B12R1.32 CCNC(=O)Nc1ccccc1 1P00E9ZR [0,1,0,0,0,0|2,0,1]=4 304 B12R1.32 CCNC(=O)Oc1ccccc1 1P0021MK [0,1,0,0,0,0|2,0,1]=4 305 B12R1.32 CCOC(=O)Cc1ccccc1 1P0003XD [0,1,0,0,0,0|2,0,1]=4 306 B12R1.32 CN(Cc1ccccc1)CC#C 1P00313U [0,1,0,0,0,0|2,0,1]=4 307 B12R1.32 CN(Cc1ccccc1)CC#C 1P00DE8W [0,1,0,0,0,0|2,0,1]=4 308 B12R1.32 CN(Cc1ccccc1)CC#N 1P00HXAU [0,1,0,0,0,0|2,0,1]=4 309 B12R1.32 CNCC(=Cc1ccccc1)C 1P01BE9U [0,1,0,0,0,0|0,0,2]=3 310 B12R1.32 CNCC(=O)Nc1ccccc1 1P00EJFP [0,1,0,0,0,0|2,0,1]=4 311 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [0,1,0,0,0,0|0,0,0]=1 312 B12R1.32 CNCC(Cc1ccccc1)N 1P01AJ49 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.32 CNCC(Cc1ccccc1)O 1P01AM98 [0,1,0,0,0,0|1,0,0]=2 314 B12R1.32 COCC(=O)Cc1ccccc1 1P019UAK [0,1,0,0,0,0|2,0,1]=4 315 B12R1.32 COCC(Cc1ccccc1)N 1P00FVYM [0,1,0,0,0,0|2,0,0]=3 316 B12R1.32 COC[C@@H](Cc1ccccc1)N 1P00EM0S [0,1,0,0,0,0|2,0,0]=3 317 B12R1.32 COC[C@H](Cc1ccccc1)N 1P003CYU [0,1,0,0,0,0|2,0,0]=3 318 B12R1.32 COC[C@H](Cc1ccccc1)N 1P00F7SQ [0,1,0,0,0,0|2,0,0]=3 319 B12R1.32 ClCCN(Cc1ccccc1)C 1P002NY3 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.32 NC(Cc1ccccc1)CC#C 1P01BAK1 [0,1,0,0,0,0|2,0,1]=4 321 B12R1.32 NCCC(Cc1ccccc1)C 1P027WMS [0,1,0,0,0,0|1,0,0]=2 322 B12R1.32 NCCN(Cc1ccccc1)C 1P0039QI [0,1,0,0,0,0|2,0,0]=3 323 B12R1.32 NCCS(=O)Cc1ccccc1 1P01AHBF [0,1,0,0,0,0|3,0,0]=4 324 B12R1.32 OCCC(Cc1ccccc1)N 1P01B8S6 [0,1,0,0,0,0|2,0,0]=3 325 B12R1.32 OCCN(Cc1ccccc1)C 1P0003XC [0,1,0,0,0,0|2,0,0]=3 326 B12R1.32 OCNC(=O)Cc1ccccc1 1P00ELVN [0,1,0,0,0,0|1,0,1]=3 327 B12R1.32 SCCN(Cc1ccccc1)C 1P01BGFN [0,1,0,0,0,0|2,0,0]=3 328 B12R1.34 CC(C(=O)c1ccccc1)C#N 1P005W96 [0,1,0,0,0,0|2,0,1]=4 329 B12R1.34 CC(C(C#N)Br)c1ccccc1 1P01C0JZ [0,1,0,0,0,0|3,0,0]=4 330 B12R1.34 CC(C(C#N)Cl)c1ccccc1 1P01EMAW [0,1,0,0,0,0|3,0,0]=4 331 B12R1.34 CCC(C(=O)c1ccccc1)Br 1P00GWZY [0,1,0,0,0,0|2,0,1]=4 332 B12R1.34 CCC(C(=O)c1ccccc1)N 1P01EAC5 [0,1,0,0,0,0|2,0,1]=4 333 B12R1.34 CCC(C(c1ccccc1)C)N 1P019U5I [0,1,0,0,0,0|2,0,0]=3 334 B12R1.34 CCC(C(c1ccccc1)N)C 1P00IDOC [0,1,0,0,0,0|1,0,0]=2 335 B12R1.34 CCC(C(c1ccccc1)O)N 1P00ENQI [0,1,0,0,0,0|2,0,0]=3 336 B12R1.34 CCC(C(c1ccccc1)O)N 1P01AAPQ [0,1,0,0,0,0|2,0,0]=3 337 B12R1.34 CNC(=O)C(c1ccccc1)N 1P00J2L9 [0,1,0,0,0,0|1,0,1]=3 338 B12R1.34 CNC(=O)C(c1ccccc1)O 1P01K16T [0,1,0,0,0,0|1,0,1]=3 339 B12R1.34 CNC(=O)[C@@H](c1ccccc1)N 1P01A3EY [0,1,0,0,0,0|1,0,1]=3 340 B12R1.34 CNC(=O)[C@H](c1ccccc1)O 1P01K16S [0,1,0,0,0,0|1,0,1]=3 341 B12R1.34 CNC(C(=C)c1ccccc1)C 1P02898U [0,1,0,0,0,0|0,0,1]=2 342 B12R1.34 CNC(C(c1ccccc1)C)C 1P01AFP5 [0,1,0,0,0,0|0,0,0]=1 343 B12R1.34 COC(=O)C(c1ccccc1)Br 1P0030JE [0,1,0,0,0,0|2,0,1]=4 344 B12R1.34 COC(=O)C(c1ccccc1)C 1P00C790 [0,1,0,0,0,0|2,0,1]=4 345 B12R1.34 COC(=O)C(c1ccccc1)Cl 1P003S3V [0,1,0,0,0,0|2,0,1]=4 346 B12R1.34 COC(=O)C(c1ccccc1)F 1P00AMHM [0,1,0,0,0,0|2,0,1]=4 347 B12R1.34 COC(=O)C(c1ccccc1)N 1P003OHI [0,1,0,0,0,0|2,0,1]=4 348 B12R1.34 COC(=O)C(c1ccccc1)N 1P00BFQQ [0,1,0,0,0,0|2,0,1]=4 349 B12R1.34 COC(=O)C(c1ccccc1)O 1P00DEAI [0,1,0,0,0,0|2,0,1]=4 350 B12R1.34 COC(=O)[C@@H](c1ccccc1)C 1P00I772 [0,1,0,0,0,0|2,0,1]=4 351 B12R1.34 COC(=O)[C@@H](c1ccccc1)N 1P00I44U [0,1,0,0,0,0|2,0,1]=4 352 B12R1.34 COC(=O)[C@@H](c1ccccc1)O 1P003PO8 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.34 COC(=O)[C@H](c1ccccc1)N 1P0039EX [0,1,0,0,0,0|2,0,1]=4 354 B12R1.34 COC(=O)[C@H](c1ccccc1)O 1P003RNG [0,1,0,0,0,0|2,0,1]=4 355 B12R1.34 CON(C(=O)c1ccccc1)C 1P003TM6 [0,1,0,0,0,0|2,0,1]=4 356 B12R1.34 NCC(C(c1ccccc1)C)N 1P01B969 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.34 NCC(C(c1ccccc1)C)O 1P01B7H0 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.34 NCC(N(c1ccccc1)C)C 1P00J28K [0,1,0,0,0,0|3,0,0]=4 359 B12R1.34 NCC(N(c1ccccc1)C)C 1P019NVD [0,1,0,0,0,0|3,0,0]=4 360 B12R1.34 NNC(=O)C(c1ccccc1)N 1P027VHP [0,1,0,0,0,0|2,0,1]=4 361 B12R1.34 NNC(=O)C(c1ccccc1)O 1P003RWC [0,1,0,0,0,0|2,0,1]=4 362 B12R1.34 NNC(=O)[C@@H](c1ccccc1)O 1P003CPR [0,1,0,0,0,0|2,0,1]=4 363 B12R1.34 OCC(C(=O)c1ccccc1)C 1P001XS0 [0,1,0,0,0,0|2,0,1]=4 364 B12R1.34 OCC(C(c1ccccc1)C)N 1P01AHV9 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.34 OC[C@@H]([C@H](c1ccccc1)O)N 1P003BZA [0,1,0,0,0,0|3,0,0]=4 366 B12R1.34 OC[C@H]([C@@H](c1ccccc1)O)N 1P003BX5 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [0,1,0,0,0,0|2,0,0]=3 368 B12R1.43 BrC(C(=O)Cl)Cc1ccccc1 1P00CNPL [0,1,0,0,0,0|3,0,0]=4 369 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [0,1,0,0,0,0|3,0,0]=4 370 B12R1.43 BrC(C(=O)O)Cc1ccccc1 1P001VON [0,1,0,0,0,0|3,0,0]=4 371 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 1P0070OH [0,1,0,0,0,0|3,0,0]=4 372 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 1P00I7EC [0,1,0,0,0,0|3,0,0]=4 373 B12R1.43 CC(=Cc1ccccc1)C(=O)C 1P002ET2 [0,1,0,0,0,0|1,0,2]=4 374 B12R1.43 CC(=O)N(Cc1cccnc1)C 1P0065KD [0,1,0,0,0,0|3,0,0]=4 375 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [0,1,0,0,0,0|1,0,0]=2 376 B12R1.43 CC(C(=O)Cc1ccccc1)Cl 1P019W1A [0,1,0,0,0,0|2,0,1]=4 377 B12R1.43 CC(C(=O)Cc1ccccc1)N 1P01A27E [0,1,0,0,0,0|2,0,1]=4 378 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [0,1,0,0,0,0|2,0,0]=3 379 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 1P001704 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [0,1,0,0,0,0|2,0,0]=3 381 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P00CKM4 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.43 CC(C(=O)O)Cc1ccncc1 1P028NU0 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.43 CC(C(=O)O)Oc1ccccc1 1P003IBB [0,1,0,0,0,0|3,0,0]=4 384 B12R1.43 CC(C(=O)O)Sc1ccccc1 1P002029 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.43 CC(C(C)C)Nc1ccccc1 1P00016P [0,1,0,0,0,0|2,0,0]=3 386 B12R1.43 CC(C(N)C)Oc1ccccc1 1P01AKTG [0,1,0,0,0,0|2,0,0]=3 387 B12R1.43 CN(C(=N)N)Cc1ccccc1 1P00J1YK [0,1,0,0,0,0|3,0,0]=4 388 B12R1.43 CN(C(=Nc1ccccc1)N)C 1P01AGBB [0,1,0,0,0,0|2,0,1]=4 389 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [0,1,0,0,0,0|2,0,0]=3 390 B12R1.43 CN(C(=O)C)Nc1ccccc1 1P01HYFP [0,1,0,0,0,0|3,0,0]=4 391 B12R1.43 CN(C(=O)Cc1ccccc1)C 1P002ILY [0,1,0,0,0,0|1,0,1]=3 392 B12R1.43 CN(C(=O)Cl)Cc1ccccc1 1P01AFOK [0,1,0,0,0,0|3,0,0]=4 393 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [0,1,0,0,0,0|3,0,0]=4 394 B12R1.43 CN(C(=O)Nc1ccccc1)O 1P007N79 [0,1,0,0,0,0|2,0,1]=4 395 B12R1.43 CN(C(=O)Oc1ccccc1)C 1P00FVID [0,1,0,0,0,0|2,0,1]=4 396 B12R1.43 CN(C(=O)Oc1ccccc1)N 1P028XX8 [0,1,0,0,0,0|2,0,1]=4 397 B12R1.43 CN(C(=S)N)Cc1ccccc1 1P00DD9B [0,1,0,0,0,0|3,0,0]=4 398 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [0,1,0,0,0,0|2,0,0]=3 399 B12R1.43 C[C@@H](C(=O)O)Cc1ccncc1 1P028ODP [0,1,0,0,0,0|3,0,0]=4 400 B12R1.43 C[C@@H](C(=O)O)Nc1ccccc1 1P001PT8 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.43 C[C@@H](C(=O)O)Oc1ccccc1 1P002FKF [0,1,0,0,0,0|3,0,0]=4 402 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [0,1,0,0,0,0|2,0,0]=3 403 B12R1.43 C[C@H](C(=O)O)Cc1ccncc1 1P028NWN [0,1,0,0,0,0|3,0,0]=4 404 B12R1.43 C[C@H](C(=O)O)Oc1ccccc1 1P0078YZ [0,1,0,0,0,0|3,0,0]=4 405 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [0,1,0,0,0,0|2,0,0]=3 406 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [0,1,0,0,0,0|3,0,0]=4 407 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [0,1,0,0,0,0|3,0,0]=4 408 B12R1.43 NC(C(=O)O)Cc1ccccc1 1P003RTV [0,1,0,0,0,0|3,0,0]=4 409 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [0,1,0,0,0,0|3,0,0]=4 410 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [0,1,0,0,0,0|3,0,0]=4 411 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 1P00359U [0,1,0,0,0,0|3,0,0]=4 412 B12R1.43 N[C@H](C(=N)O)Cc1ccccc1 1P003D1I [0,1,0,0,0,0|3,0,0]=4 413 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [0,1,0,0,0,0|3,0,0]=4 414 B12R1.43 N[C@H](C(=O)O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00JOC8 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P001MO4 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P0021PS [0,1,0,0,0,0|3,0,0]=4 417 B12R1.43 N[C@H](C(C)C)Cc1ccccc1 1P006XWD [0,1,0,0,0,0|2,0,0]=3 418 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P0005RH [0,1,0,0,0,0|3,0,0]=4 419 B12R1.43 OC(=O)C(Cc1ccccn1)C 1P028B8G [0,1,0,0,0,0|3,0,0]=4 420 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)C 1P028PB3 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.43 OC(=O)[C@H](Cc1cccnc1)C 1P028QM0 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [0,1,0,0,0,0|3,0,0]=4 423 B12R1.43 OC(C(=O)O)Cc1ccccc1 1P004TVQ [0,1,0,0,0,0|3,0,0]=4 424 B12R1.43 OC(C(C)C)Cc1ccccc1 1P00FU0X [0,1,0,0,0,0|2,0,0]=3 425 B12R1.43 OC(C(F)F)Cc1ccccc1 1P01DVSF [0,1,0,0,0,0|3,0,0]=4 426 B12R1.43 OC(C(N)C)Cc1ccccc1 1P01A27Z [0,1,0,0,0,0|2,0,0]=3 427 B12R1.43 OC(C(O)C)Cc1ccncc1 1P027YDO [0,1,0,0,0,0|3,0,0]=4 428 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 1P005FS8 [0,1,0,0,0,0|3,0,0]=4 429 B12R1.43 O[C@H](C(=O)O)Cc1ccccc1 1P00735M [0,1,0,0,0,0|3,0,0]=4 430 B12R1.43 SC(C(=O)O)Cc1ccccc1 1P00GU3B [0,1,0,0,0,0|3,0,0]=4 431 B12R1.43 S[C@@H](C(=O)O)Cc1ccccc1 1P028TTD [0,1,0,0,0,0|3,0,0]=4 432 B12R1.49 BrC(Cc1ccc(cc1)C)C#N 1P00ERAL [0,1,0,0,0,0|3,0,0]=4 433 B12R1.49 C=CC(Cc1ccc(cc1)Cl)N 1P0280YA [0,1,0,0,0,0|2,0,1]=4 434 B12R1.49 CC(Cc1ccc(cc1)Cl)C#N 1P023PAL [0,1,0,0,0,0|2,0,0]=3 435 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1P00BJYB [0,1,0,0,0,0|2,0,1]=4 436 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1P003DHA [0,1,0,0,0,0|2,0,1]=4 437 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1P01B5H3 [0,1,0,0,0,0|2,0,1]=4 438 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1P00KLWN [0,1,0,0,0,0|2,0,1]=4 439 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1P00IHD6 [0,1,0,0,0,0|2,0,1]=4 440 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1P028YMZ [0,1,0,0,0,0|2,0,1]=4 441 B12R1.49 CCC(Cc1ccc(cc1)Br)N 1P01B75H [0,1,0,0,0,0|2,0,0]=3 442 B12R1.49 CCC(Cc1ccc(cc1)C)N 1P00B8C1 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.49 CCC(Cc1ccc(cc1)C)O 1P019SLJ [0,1,0,0,0,0|2,0,0]=3 444 B12R1.49 CCC(Cc1ccc(cc1)Cl)N 1P00BESL [0,1,0,0,0,0|2,0,0]=3 445 B12R1.49 CCC(Cc1ccc(cc1)F)N 1P00C4E1 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.49 CCC(Cc1ccc(cc1)O)N 1P01A7DK [0,1,0,0,0,0|2,0,0]=3 447 B12R1.49 CCC(Oc1ccc(cc1)Br)C 1P019YC2 [0,1,0,0,0,0|2,0,0]=3 448 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00EEKR [0,1,0,0,0,0|2,0,0]=3 449 B12R1.49 CCC(Oc1ccc(cc1)N)C 1P00J278 [0,1,0,0,0,0|2,0,0]=3 450 B12R1.49 CCC(Oc1ccc(cc1)O)C 1P0068LX [0,1,0,0,0,0|2,0,0]=3 451 B12R1.49 CCN(Cc1ccc(cc1)N)C 1P019YRC [0,1,0,0,0,0|2,0,0]=3 452 B12R1.49 CNC(=N)Nc1ccc(cc1)F 1P01BDSH [0,1,0,0,0,0|2,0,1]=4 453 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 1P005QNZ [0,1,0,0,0,0|1,0,1]=3 454 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 1P00IB5K [0,1,0,0,0,0|1,0,1]=3 455 B12R1.49 CNC(=O)Cc1ccc(cc1)N 1P00C996 [0,1,0,0,0,0|1,0,1]=3 456 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1P002XUE [0,1,0,0,0,0|1,0,1]=3 457 B12R1.49 CNC(=O)Nc1ccc(cc1)N 1P0083DE [0,1,0,0,0,0|2,0,1]=4 458 B12R1.49 CNC(=S)Nc1ccc(cc1)Br 1P00EM4P [0,1,0,0,0,0|2,0,1]=4 459 B12R1.49 CNC(Cc1ccc(cc1)F)C 1P01BFBZ [0,1,0,0,0,0|0,0,0]=1 460 B12R1.49 CNC(Cc1ccc(cc1)O)C 1P01LJEU [0,1,0,0,0,0|0,0,0]=1 461 B12R1.49 COC(=O)Cc1ccc(cc1)Br 1P0035O5 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.49 COC(=O)Cc1ccc(cc1)C 1P003SCO [0,1,0,0,0,0|2,0,1]=4 463 B12R1.49 COC(=O)Cc1ccc(cc1)Cl 1P00I9UH [0,1,0,0,0,0|2,0,1]=4 464 B12R1.49 COC(=O)Cc1ccc(cc1)F 1P00C7YP [0,1,0,0,0,0|2,0,1]=4 465 B12R1.49 COC(=O)Cc1ccc(cc1)I 1P00EKZB [0,1,0,0,0,0|2,0,1]=4 466 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00BZSM [0,1,0,0,0,0|2,0,1]=4 467 B12R1.49 COC(=O)Cc1ccc(cc1)N 1P00G39W [0,1,0,0,0,0|2,0,1]=4 468 B12R1.49 COC(=O)Cc1ccc(cc1)O 1P001HYQ [0,1,0,0,0,0|2,0,1]=4 469 B12R1.49 NCC(Cc1ccc(cc1)Br)O 1P028620 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.49 NCC(Cc1ccc(cc1)C)N 1P01EKI5 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.49 NCC(Cc1ccc(cc1)C)O 1P027U4C [0,1,0,0,0,0|3,0,0]=4 472 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P01BAQC [0,1,0,0,0,0|3,0,0]=4 473 B12R1.49 NCC(Cc1ccc(cc1)Cl)O 1P0290EV [0,1,0,0,0,0|3,0,0]=4 474 B12R1.49 NCC(Cc1ccc(cc1)F)O 1P01BIVQ [0,1,0,0,0,0|3,0,0]=4 475 B12R1.49 NCC(Oc1ccc(cc1)Br)C 1P00GSIM [0,1,0,0,0,0|3,0,0]=4 476 B12R1.49 NCC(Oc1ccc(cc1)C)C 1P00EADF [0,1,0,0,0,0|3,0,0]=4 477 B12R1.49 NCC(Oc1ccc(cc1)Cl)C 1P019T0M [0,1,0,0,0,0|3,0,0]=4 478 B12R1.49 NCC(Oc1ccc(cc1)F)C 1P00IFSK [0,1,0,0,0,0|3,0,0]=4 479 B12R1.49 NCC(Sc1ccc(cc1)Br)C 1P01AHJN [0,1,0,0,0,0|3,0,0]=4 480 B12R1.49 NNC(=O)Cc1ccc(cc1)Br 1P00EAQB [0,1,0,0,0,0|2,0,1]=4 481 B12R1.49 NNC(=O)Cc1ccc(cc1)C 1P00EEHZ [0,1,0,0,0,0|2,0,1]=4 482 B12R1.49 NNC(=O)Cc1ccc(cc1)Cl 1P00E9QF [0,1,0,0,0,0|2,0,1]=4 483 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P00BYWL [0,1,0,0,0,0|2,0,1]=4 484 B12R1.49 NNC(=O)Cc1ccc(cc1)F 1P01DJR3 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.49 NNC(=O)Cc1ccc(cc1)N 1P027MP7 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.49 NNC(=O)Cc1ccc(cc1)O 1P0028UY [0,1,0,0,0,0|2,0,1]=4 487 B12R1.49 O=CC(Cc1ccc(cc1)C)Cl 1P01BY9A [0,1,0,0,0,0|3,0,0]=4 488 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P00CNDM [0,1,0,0,0,0|3,0,0]=4 489 B12R1.49 OCC(Cc1ccc(cc1)C)N 1P01B1SU [0,1,0,0,0,0|3,0,0]=4 490 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P00188V [0,1,0,0,0,0|3,0,0]=4 491 B12R1.49 OCC(Cc1ccc(cc1)Cl)N 1P003Q9R [0,1,0,0,0,0|3,0,0]=4 492 B12R1.49 OCC(Cc1ccc(cc1)F)C 1P01ADFP [0,1,0,0,0,0|2,0,0]=3 493 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01A498 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.49 OCC(Cc1ccc(cc1)F)N 1P01BDZN [0,1,0,0,0,0|3,0,0]=4 495 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P00I37R [0,1,0,0,0,0|3,0,0]=4 496 B12R1.49 OCC(Cc1ccc(cc1)I)N 1P01BI09 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.49 OCC(Cc1ccc(cc1)N)F 1P028X6K [0,1,0,0,0,0|3,0,0]=4 498 B12R1.49 OCC(Cc1ccc(cc1)O)N 1P01B4HI [0,1,0,0,0,0|3,0,0]=4 499 B12R1.49 OC[C@@H](Cc1ccc(cc1)Cl)N 1P00BJSP [0,1,0,0,0,0|3,0,0]=4 500 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P00CND0 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.49 OC[C@@H](Cc1ccc(cc1)F)N 1P01DE71 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.49 OC[C@@H](Cc1ccc(cc1)O)N 1P003QD1 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.49 OC[C@@H](Oc1ccc(cc1)Cl)C 1P004KL8 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.49 OC[C@H](Cc1ccc(cc1)Br)N 1P01JM4D [0,1,0,0,0,0|3,0,0]=4 505 B12R1.49 OC[C@H](Cc1ccc(cc1)C)N 1P01JM2C [0,1,0,0,0,0|3,0,0]=4 506 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P0028CV [0,1,0,0,0,0|3,0,0]=4 507 B12R1.49 OC[C@H](Cc1ccc(cc1)Cl)N 1P019GEA [0,1,0,0,0,0|3,0,0]=4 508 B12R1.49 OC[C@H](Cc1ccc(cc1)F)N 1P002D3T [0,1,0,0,0,0|3,0,0]=4 509 B12R1.49 OC[C@H](Cc1ccc(cc1)N)N 1P00FI1E [0,1,0,0,0,0|3,0,0]=4 510 B12R1.49 OC[C@H](Cc1ccc(cc1)O)N 1P0035KS [0,1,0,0,0,0|3,0,0]=4 511 B12R1.49 ONC(=N)Cc1ccc(cc1)O 1P00F24J [0,1,0,0,0,0|2,0,1]=4 512 B12R1.49 ONC(=O)Cc1ccc(cc1)Br 1P019XE1 [0,1,0,0,0,0|2,0,1]=4 513 B12R1.49 ONC(=O)Cc1ccc(cc1)C 1P019X7E [0,1,0,0,0,0|2,0,1]=4 514 B12R1.49 ONC(=O)Cc1ccc(cc1)Cl 1P019XEP [0,1,0,0,0,0|2,0,1]=4 515 B12R1.49 ONC(=O)Cc1ccc(cc1)F 1P019XEM [0,1,0,0,0,0|2,0,1]=4 516 B12R1.49 ONC(=O)Cc1ccc(cc1)N 1P028WN8 [0,1,0,0,0,0|2,0,1]=4 517 B12R1.50 C#CC(Cc1cccc(c1)F)N 1P01FI1L [0,1,0,0,0,0|2,0,1]=4 518 B12R1.50 CC(Oc1cccc(n1)N)CC 1P01BTYX [0,1,0,0,0,0|3,0,0]=4 519 B12R1.50 CCC(=O)Cc1cccc(c1)C 1P01JMHJ [0,1,0,0,0,0|2,0,1]=4 520 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1P01DUPB [0,1,0,0,0,0|2,0,1]=4 521 B12R1.50 CCC(=O)Cc1cccc(c1)F 1P01EX3C [0,1,0,0,0,0|2,0,1]=4 522 B12R1.50 CCC(Oc1cccc(c1)N)C 1P00FA91 [0,1,0,0,0,0|2,0,0]=3 523 B12R1.50 CCC(Oc1cccc(c1)N)C 1P01AMF2 [0,1,0,0,0,0|2,0,0]=3 524 B12R1.50 CN(CC)Cc1cc(Cl)ccn1 1P01BSF9 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.50 CNC(=O)Cc1cccc(c1)N 1P00EEFC [0,1,0,0,0,0|1,0,1]=3 526 B12R1.50 CNC(=O)Cc1cccc(c1)O 1P01AD44 [0,1,0,0,0,0|1,0,1]=3 527 B12R1.50 CNC(=O)Nc1cccc(c1)N 1P019L96 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.50 CNC(=O)Oc1cccc(c1)N 1P01AM02 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.50 CNC(=O)Oc1cccc(c1)O 1P002FZI [0,1,0,0,0,0|2,0,1]=4 530 B12R1.50 COC(=O)Cc1cccc(c1)Br 1P001N5E [0,1,0,0,0,0|2,0,1]=4 531 B12R1.50 COC(=O)Cc1cccc(c1)C 1P00DDQC [0,1,0,0,0,0|2,0,1]=4 532 B12R1.50 COC(=O)Cc1cccc(c1)Cl 1P003S8I [0,1,0,0,0,0|2,0,1]=4 533 B12R1.50 COC(=O)Cc1cccc(c1)F 1P003BEE [0,1,0,0,0,0|2,0,1]=4 534 B12R1.50 COC(=O)Cc1cccc(c1)I 1P00I9GC [0,1,0,0,0,0|2,0,1]=4 535 B12R1.50 COC(=O)Cc1cccc(c1)N 1P001MZJ [0,1,0,0,0,0|2,0,1]=4 536 B12R1.50 COC(=O)Cc1cccc(c1)N 1P00394T [0,1,0,0,0,0|2,0,1]=4 537 B12R1.50 COC(=O)Cc1cccc(c1)O 1P003S1J [0,1,0,0,0,0|2,0,1]=4 538 B12R1.50 N#CC(Cc1cccc(c1)Br)F 1P0286B8 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.50 NCC(Cc1cccc(c1)Br)O 1P0285C3 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.50 NCC(Cc1cccc(c1)C)O 1P01BK54 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.50 NCC(Cc1cccc(c1)Cl)O 1P01BAEN [0,1,0,0,0,0|3,0,0]=4 542 B12R1.50 NCC(Cc1cccc(c1)F)O 1P01AMEE [0,1,0,0,0,0|3,0,0]=4 543 B12R1.50 NCC(Cc1cccc(c1)O)O 1P028VA8 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.50 NCC(Oc1cccc(c1)Br)C 1P019SWM [0,1,0,0,0,0|3,0,0]=4 545 B12R1.50 NCC(Oc1cccc(c1)C)C 1P019SIE [0,1,0,0,0,0|3,0,0]=4 546 B12R1.50 NCC(Oc1cccc(c1)Cl)C 1P019SLO [0,1,0,0,0,0|3,0,0]=4 547 B12R1.50 NCC(Oc1cccc(c1)F)C 1P019SMA [0,1,0,0,0,0|3,0,0]=4 548 B12R1.50 NNC(=N)Cc1cccc(c1)Br 1P01A6W3 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.50 NNC(=O)Cc1cccc(c1)Cl 1P00FAOR [0,1,0,0,0,0|2,0,1]=4 550 B12R1.50 NNC(=O)Cc1cccc(c1)F 1P00IVB3 [0,1,0,0,0,0|2,0,1]=4 551 B12R1.50 NNC(=O)Cc1cccc(c1)O 1P01JTZ0 [0,1,0,0,0,0|2,0,1]=4 552 B12R1.50 OCC(Cc1cccc(c1)Br)N 1P01JKRR [0,1,0,0,0,0|3,0,0]=4 553 B12R1.50 OCC(Cc1cccc(c1)C)N 1P00CNDL [0,1,0,0,0,0|3,0,0]=4 554 B12R1.50 OCC(Cc1cccc(c1)C)N 1P01B1TC [0,1,0,0,0,0|3,0,0]=4 555 B12R1.50 OCC(Cc1cccc(c1)Cl)N 1P00CM2L [0,1,0,0,0,0|3,0,0]=4 556 B12R1.50 OCC(Cc1cccc(c1)F)N 1P00CMWB [0,1,0,0,0,0|3,0,0]=4 557 B12R1.50 OCC(Cc1cccc(c1)N)F 1P0283J3 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.50 OC[C@@H](Cc1cccc(c1)F)N 1P00GAOU [0,1,0,0,0,0|3,0,0]=4 559 B12R1.50 OC[C@H](Cc1cccc(c1)F)N 1P01JKYV [0,1,0,0,0,0|3,0,0]=4 560 B12R1.50 ONC(=N)Cc1cccc(c1)Cl 1P019F80 [0,1,0,0,0,0|2,0,1]=4 561 B12R1.50 ONC(=N)Cc1cccc(c1)F 1P00IEWL [0,1,0,0,0,0|2,0,1]=4 562 B12R1.50 ONC(=O)Cc1cccc(c1)F 1P019XAV [0,1,0,0,0,0|2,0,1]=4 563 B12R1.118 BrCC(Cc1ccccc1)OC 1P000H3A [0,1,0,0,0,0|1,0,0]=2 564 B12R1.118 CCC(=Cc1ccccc1)CC 1P01AUY6 [0,1,0,0,0,0|1,0,2]=4 565 B12R1.118 CCC(Cc1ccccc1)NC 1P00G3TS [0,1,0,0,0,0|0,0,0]=1 566 B12R1.118 CCC(Cc1ccccc1)NC 1P00GPY7 [0,1,0,0,0,0|0,0,0]=1 567 B12R1.118 CCC(Nc1ccccc1)CO 1P01A9VK [0,1,0,0,0,0|2,0,0]=3 568 B12R1.118 CCC(Oc1ccccc1)C#N 1P02877L [0,1,0,0,0,0|2,0,1]=4 569 B12R1.118 CCC(Oc1ccccc1)CN 1P01AI3J [0,1,0,0,0,0|2,0,0]=3 570 B12R1.118 CCC(Oc1ccccc1)CN 1P028YBU [0,1,0,0,0,0|2,0,0]=3 571 B12R1.118 CCC(Sc1ccccc1)C#N 1P01EK8N [0,1,0,0,0,0|2,0,1]=4 572 B12R1.118 CCN(Cc1ccccc1)CC 1P0035RS [0,1,0,0,0,0|2,0,0]=3 573 B12R1.118 COC(Cc1ccccc1)C#N 1P01ANVY [0,1,0,0,0,0|1,0,1]=3 574 B12R1.118 COC(Cc1ccccc1)C=O 1P01AV5H [0,1,0,0,0,0|1,0,1]=3 575 B12R1.118 COC(Cc1ccccc1)OC 1P0003VY [0,1,0,0,0,0|1,0,0]=2 576 B12R1.118 COC(Cc1ncccn1)OC 1P01C40C [0,1,0,0,0,0|3,0,0]=4 577 B12R1.118 COC([SiH2]c1ccccc1)OC 1P002ZVS [0,1,0,0,0,0|1,1,0]=3 578 B12R1.118 NCC(Cc1ccccc1)CO 1P00FICE [0,1,0,0,0,0|2,0,0]=3 579 B12R1.118 NCC(Cc1ccccc1)CO 1P028WXN [0,1,0,0,0,0|2,0,0]=3 580 B12R1.118 NCC(Cc1ccccc1)CS 1P028YTH [0,1,0,0,0,0|2,0,0]=3 581 B12R1.118 NCC(Cc1ccccc1)NC 1P01A6YF [0,1,0,0,0,0|0,0,0]=1 582 B12R1.118 NCC(Cc1ccccc1)OC 1P00H2E2 [0,1,0,0,0,0|1,0,0]=2 583 B12R1.118 NCC(Cc1ccccc1)OC 1P028CXK [0,1,0,0,0,0|1,0,0]=2 584 B12R1.118 NCC(Cc1ccccn1)CO 1P019YSA [0,1,0,0,0,0|3,0,0]=4 585 B12R1.118 NCC(Cc1cccnc1)CO 1P01BEA8 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.118 NCC(Cc1cccnc1)CO 1P01BEB7 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.118 NCC(Cc1ccncc1)CO 1P01BHDV [0,1,0,0,0,0|3,0,0]=4 588 B12R1.118 NNC(=NC)Nc1ccccc1 1P01A50F [0,1,0,0,0,0|2,0,1]=4 589 B12R1.118 OCC(Cc1ccccc1)C#N 1P00I5F3 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.118 OCC(Cc1ccccc1)CO 1P002S8P [0,1,0,0,0,0|2,0,0]=3 591 B12R1.118 OCC(Cc1ccccc1)NC 1P00GTMT [0,1,0,0,0,0|0,0,0]=1 592 B12R1.118 OCC(Cc1ccccc1)OC 1P01AUXJ [0,1,0,0,0,0|1,0,0]=2 593 B12R1.118 OC[C@H](Cc1ccccc1)NC 1P004YA0 [0,1,0,0,0,0|0,0,0]=1 594 B12R1.194 C#CC(Cc1ccccc1)(O)C 1P01B65V [0,1,0,0,0,0|1,0,1]=3 595 B12R1.194 CCC(Cc1ccccc1)(O)C 1P003I26 [0,1,0,0,0,0|1,0,0]=2 596 B12R1.194 CNS(=O)(=O)Cc1ccccc1 1P019W0S [0,1,0,0,0,0|2,0,0]=3 597 B12R1.194 N#CC(Cc1ccccc1)(C)C 1P00I7KH [0,1,0,0,0,0|2,0,0]=3 598 B12R1.194 N#CC(Nc1ccccc1)(C)C 1P007PJS [0,1,0,0,0,0|3,0,0]=4 599 B12R1.194 NCC(Cc1ccccc1)(C)C 1P01AJMU [0,1,0,0,0,0|2,0,0]=3 600 B12R1.194 NCC(Oc1ccccc1)(C)C 1P00CHMB [0,1,0,0,0,0|3,0,0]=4 601 B12R1.194 NCC(Oc1ccccc1)(C)C 1P01AI80 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.194 NNS(=O)(=O)Cc1ccccc1 1P007ALD [0,1,0,0,0,0|3,0,0]=4 603 B12R1.194 O=CC(Cc1ccccc1)(C)C 1P0003L9 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.194 O=CC(Oc1ccccc1)(C)C 1P01AV4D [0,1,0,0,0,0|3,0,0]=4 605 B12R1.194 OCC(Cc1ccccc1)(N)C 1P027X9I [0,1,0,0,0,0|2,0,0]=3 606 B12R1.194 OCC(Cc1ccccn1)(N)C 1P028CIU [0,1,0,0,0,0|3,0,0]=4 607 B12R1.194 OCC(Oc1ccccc1)(C)C 1P01IG92 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.371 CCC(=O)Cc1ccccc1Br 1P019RG4 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.371 CCC(=O)Cc1ccccc1C 1P01HPJJ [0,1,0,0,0,0|2,0,1]=4 610 B12R1.371 CCC(=O)Cc1ccccc1F 1P01EUOT [0,1,0,0,0,0|2,0,1]=4 611 B12R1.371 CCC(Cc1ccccc1Br)N 1P01A0A9 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.371 CCC(Oc1ccccc1N)C 1P00DDQ2 [0,1,0,0,0,0|2,0,0]=3 613 B12R1.371 CNC(=O)Cc1ccccc1Cl 1P00IKSY [0,1,0,0,0,0|1,0,1]=3 614 B12R1.371 CNC(=O)Cc1ccccc1N 1P00C8RJ [0,1,0,0,0,0|1,0,1]=3 615 B12R1.371 CNC(Cc1ccccc1C)C 1P01BFBU [0,1,0,0,0,0|0,0,0]=1 616 B12R1.371 CNC(Cc1ccccc1F)C 1P00AQR6 [0,1,0,0,0,0|0,0,0]=1 617 B12R1.371 COC(=O)Cc1ccccc1Br 1P00EBRK [0,1,0,0,0,0|2,0,1]=4 618 B12R1.371 COC(=O)Cc1ccccc1C 1P003SIA [0,1,0,0,0,0|2,0,1]=4 619 B12R1.371 COC(=O)Cc1ccccc1Cl 1P003S4A [0,1,0,0,0,0|2,0,1]=4 620 B12R1.371 COC(=O)Cc1ccccc1F 1P00393Q [0,1,0,0,0,0|2,0,1]=4 621 B12R1.371 COC(=O)Cc1ccccc1I 1P00IC25 [0,1,0,0,0,0|2,0,1]=4 622 B12R1.371 COC(=O)Cc1ccccc1N 1P00C63Y [0,1,0,0,0,0|2,0,1]=4 623 B12R1.371 COC(=O)Cc1ccccc1N 1P00DG0W [0,1,0,0,0,0|2,0,1]=4 624 B12R1.371 COC(=O)Cc1ccccc1O 1P0037ZQ [0,1,0,0,0,0|2,0,1]=4 625 B12R1.371 N#CC(Oc1ccccc1N)C 1P01A2IO [0,1,0,0,0,0|3,0,0]=4 626 B12R1.371 NCC(Cc1ccccc1Br)O 1P027N7B [0,1,0,0,0,0|3,0,0]=4 627 B12R1.371 NCC(Cc1ccccc1C)O 1P01AM13 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.371 NCC(Oc1ccccc1Br)C 1P019UHV [0,1,0,0,0,0|3,0,0]=4 629 B12R1.371 NCC(Oc1ccccc1C)C 1P019SMY [0,1,0,0,0,0|3,0,0]=4 630 B12R1.371 NCC(Oc1ccccc1Cl)C 1P00GSHM [0,1,0,0,0,0|3,0,0]=4 631 B12R1.371 NCC(Oc1ccccc1Cl)C 1P00HA82 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.371 NCC(Oc1ccccc1F)C 1P019SP8 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.371 NNC(=O)Cc1ccccc1C 1P00JDOV [0,1,0,0,0,0|2,0,1]=4 634 B12R1.371 NNC(=O)Cc1ccccc1Cl 1P00BCNA [0,1,0,0,0,0|2,0,1]=4 635 B12R1.371 NNC(=O)Cc1ccccc1F 1P0097A6 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.371 NNC(=O)Cc1ccccc1O 1P01B60T [0,1,0,0,0,0|2,0,1]=4 637 B12R1.371 O=CC(Cc1ccccc1Cl)Cl 1P01BY6U [0,1,0,0,0,0|3,0,0]=4 638 B12R1.371 O=NN(Cc1ccccc1C)C 1P00F62Y [0,1,0,0,0,0|2,0,1]=4 639 B12R1.371 OCC(Cc1ccccc1Br)N 1P01JKRL [0,1,0,0,0,0|3,0,0]=4 640 B12R1.371 OCC(Cc1ccccc1C)N 1P00CNDK [0,1,0,0,0,0|3,0,0]=4 641 B12R1.371 OCC(Cc1ccccc1Cl)N 1P00CM2K [0,1,0,0,0,0|3,0,0]=4 642 B12R1.371 OCC(Cc1ccccc1Cl)N 1P028B27 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.371 OCC(Cc1ccccc1F)N 1P002022 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.371 OC[C@H](Cc1ccccc1C)N 1P01JM47 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.371 OC[C@H](Cc1ccccc1Cl)N 1P0096P7 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.371 OC[C@H](Cc1ccccc1F)N 1P00ASQ3 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.371 ONC(=N)Cc1ccccc1Br 1P00IGDR [0,1,0,0,0,0|2,0,1]=4 648 B12R1.371 ONC(=N)Cc1ccccc1C 1P00D7H0 [0,1,0,0,0,0|2,0,1]=4 649 B12R1.371 ONC(=O)Cc1ccccc1C 1P019XJJ [0,1,0,0,0,0|2,0,1]=4 650 B12R1.371 ONC(=O)Cc1ccccc1Cl 1P019XEQ [0,1,0,0,0,0|2,0,1]=4 651 B12R2.11 CC1CC1Nc2ccccc2 1P01AM8S [0,0,0,1,0,0|2,0,0]=3 652 B12R2.11 NC1CC1Cc2ccccc2 1P01ALG3 [0,0,0,1,0,0|2,0,0]=3 653 B12R2.11 N[C@@H]1C[C@H]1Sc2ccccc2 1P028VGI [0,0,0,1,0,0|3,0,0]=4 654 B12R2.18 CC1C(C)Nc2c1cccc2 1P007Q06 [0,0,0,1,0,0|2,0,0]=3 655 B12R2.18 CC1C(O)Cc2c1cccc2 1P019Z25 [0,0,0,1,0,0|2,0,0]=3 656 B12R2.18 C[n+]1c(C)sc2c1cccc2 1P00BMA3 [0,0,0,1,0,0|1,0,2]=4 657 B12R2.18 C[n+]1c(C)sc2c1cccc2 1P01EXI9 [0,0,0,1,0,0|1,0,2]=4 658 B12R2.18 Cc1[nH]c2c(c1C)cccc2 1P003G13 [0,0,0,1,0,0|2,0,1]=4 659 B12R2.18 Cc1c(C)oc2c1cccc2 1P00BYVJ [0,0,0,1,0,0|2,0,1]=4 660 B12R2.18 Cn1c(=N)sc2c1cccc2 1P001FO9 [0,0,0,1,0,0|2,0,1]=4 661 B12R2.18 Cn1c(=N)sc2c1cccc2 1P01EI8D [0,0,0,1,0,0|2,0,1]=4 662 B12R2.18 Cn1c(=O)[nH]c2c1cccc2 1P0038CR [0,0,0,1,0,0|2,0,1]=4 663 B12R2.18 Cn1c(=O)oc2c1cccc2 1P003K5Q [0,0,0,1,0,0|2,0,1]=4 664 B12R2.18 Cn1c(=S)oc2c1cccc2 1P00710J [0,0,0,1,0,0|2,0,1]=4 665 B12R2.18 Cn1c(Br)cc2c1cccc2 1P0044BX [0,0,0,1,0,0|1,0,2]=4 666 B12R2.18 Cn1c(Br)nc2c1cccc2 1P00DJ8E [0,0,0,1,0,0|2,0,1]=4 667 B12R2.18 Cn1c(C)cc2c1cccc2 1P00IF3Y [0,0,0,1,0,0|0,0,2]=3 668 B12R2.18 Cn1c(C)nc2c1cccc2 1P002WUY [0,0,0,1,0,0|1,0,1]=3 669 B12R2.18 Cn1c(C)nc2c1cncc2 1P01FPCZ [0,0,0,1,0,0|2,0,1]=4 670 B12R2.18 Cn1c(C)nc2c1nccc2 1P00CAOU [0,0,0,1,0,0|2,0,1]=4 671 B12R2.18 Cn1c(Cl)nc2c1cccc2 1P0038CQ [0,0,0,1,0,0|2,0,1]=4 672 B12R2.18 Cn1c(N)cc2c1cccc2 1P00CLGJ [0,0,0,1,0,0|1,0,2]=4 673 B12R2.18 Cn1c(N)nc2c1cccc2 1P001TCP [0,0,0,1,0,0|2,0,1]=4 674 B12R2.18 Cn1c(O)cc2c1cccc2 1P00GWBZ [0,0,0,1,0,0|1,0,2]=4 675 B12R2.18 Cn1c(S)nc2c1cccc2 1P00BFRQ [0,0,0,1,0,0|2,0,1]=4 676 B12R2.18 Cn1nc2c(c1C)cccc2 1P01IAKJ [0,0,0,1,0,0|3,0,0]=4 677 B12R2.18 NC1C(C)Cc2c1cccc2 1P00CXTW [0,0,0,1,0,0|2,0,0]=3 678 B12R2.18 NC1C(C)Cc2c1cccc2 1P01AI1J [0,0,0,1,0,0|2,0,0]=3 679 B12R2.18 NC1C(C)Oc2c1cccc2 1P01BBXP [0,0,0,1,0,0|3,0,0]=4 680 B12R2.18 NN1C(C)Cc2c1cccc2 1P0038JS [0,0,0,1,0,0|1,0,0]=2 681 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P001U4O [0,0,0,1,0,0|3,0,0]=4 682 B12R2.18 N[C@@H]1[C@@H](O)Cc2c1cccc2 1P01B2C3 [0,0,0,1,0,0|3,0,0]=4 683 B12R2.18 N[C@@H]1[C@H](N)Cc2c1cccc2 1P028CYJ [0,0,0,1,0,0|3,0,0]=4 684 B12R2.18 N[C@@H]1[C@H](O)Cc2c1cccc2 1P00737G [0,0,0,1,0,0|3,0,0]=4 685 B12R2.18 N[C@H]1[C@H](C)Cc2c1cccc2 1P028AK2 [0,0,0,1,0,0|2,0,0]=3 686 B12R2.18 N[C@H]1[C@H](O)Cc2c1cccc2 1P028096 [0,0,0,1,0,0|3,0,0]=4 687 B12R2.18 Nn1c(C)nc2c1cccc2 1P00F40I [0,0,0,1,0,0|2,0,1]=4 688 B12R2.18 O=C1C(Br)Cc2c1cccc2 1P0025TP [0,0,0,1,0,0|3,0,0]=4 689 B12R2.18 O=C1C(C)Cc2c1cccc2 1P0020JO [0,0,0,1,0,0|2,0,0]=3 690 B12R2.18 O=C1C(Cl)Cc2c1cccc2 1P00B2LH [0,0,0,1,0,0|3,0,0]=4 691 B12R2.18 O=C1C(F)Cc2c1cccc2 1P00FGGF [0,0,0,1,0,0|3,0,0]=4 692 B12R2.18 O=C1C(N)Cc2c1cccc2 1P00FJCX [0,0,0,1,0,0|3,0,0]=4 693 B12R2.18 O=C1Cc2c(C1C)cccc2 1P019YQK [0,0,0,1,0,0|2,0,1]=4 694 B12R2.18 O=C1Cc2c(N1C)cccc2 1P00339I [0,0,0,1,0,0|1,0,1]=3 695 B12R2.18 O=C1Cc2c(N1C)cncc2 1P00B3BG [0,0,0,1,0,0|2,0,1]=4 696 B12R2.18 O=C1Cc2c(N1C)nccc2 1P001P0O [0,0,0,1,0,0|2,0,1]=4 697 B12R2.18 OC1C(Br)Cc2c1cccc2 1P0033LI [0,0,0,1,0,0|3,0,0]=4 698 B12R2.18 OC1C(F)Cc2c1cccc2 1P01C4KF [0,0,0,1,0,0|3,0,0]=4 699 B12R2.18 O[C@@H]1[C@@H](Br)Cc2c1cccc2 1P01ALKM [0,0,0,1,0,0|3,0,0]=4 700 B12R2.18 O[C@@H]1[C@H](Br)Cc2c1cccc2 1P0022PB [0,0,0,1,0,0|3,0,0]=4 701 B12R2.18 O[C@H]1Cc2c([C@H]1[NH3+])cccc2 1P00HUWA [0,0,0,1,0,0|3,0,0]=4 702 B12R2.18 O[C@H]1[C@@H](N)Cc2c1cccc2 1P00BDOK [0,0,0,1,0,0|3,0,0]=4 703 B12R2.18 O[C@H]1[C@H](Br)Cc2c1cccc2 1P003VCM [0,0,0,1,0,0|3,0,0]=4 704 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009E8J [0,0,0,1,0,0|3,0,0]=4 705 B12R2.18 O[C@H]1[C@H](N)Cc2c1cccc2 1P009WJE [0,0,0,1,0,0|3,0,0]=4 706 B12R2.23 CC1CNC1c2ccccc2 1P019T2Z [0,0,0,1,0,0|2,0,0]=3 707 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [0,0,0,1,0,0|2,0,0]=3 708 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 1P028M00 [0,0,0,1,0,0|3,0,0]=4 709 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [0,0,0,1,0,0|2,0,1]=4 710 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [0,0,0,1,0,0|2,0,0]=3 711 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [0,0,0,1,0,0|3,0,0]=4 712 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [0,0,0,1,0,0|2,0,0]=3 713 B12R2.24 BrC1CCc2c(C1)cccc2 1P01AA0L [0,0,0,1,0,0|2,0,0]=3 714 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [0,0,0,1,0,0|1,0,1]=3 715 B12R2.24 CC1CCc2c(C1)cccn2 1P024XID [0,0,0,1,0,0|2,0,0]=3 716 B12R2.24 CC1CCc2c(C1)nccc2 1P00PGYR [0,0,0,1,0,0|2,0,0]=3 717 B12R2.24 CC1CCc2c(N1)cccc2 1P00266P [0,0,0,1,0,0|2,0,0]=3 718 B12R2.24 CC1CCc2c(N1)cccn2 1P028E84 [0,0,0,1,0,0|3,0,0]=4 719 B12R2.24 CC1CNc2c(C1)cccc2 1P002J2Y [0,0,0,1,0,0|2,0,0]=3 720 B12R2.24 CC1CNc2c(N1)cccc2 1P00FUJJ [0,0,0,1,0,0|3,0,0]=4 721 B12R2.24 CC1CNc2c(O1)cccc2 1P00EJLD [0,0,0,1,0,0|3,0,0]=4 722 B12R2.24 CC1CNc2c(O1)cccc2 1P01APH8 [0,0,0,1,0,0|3,0,0]=4 723 B12R2.24 CC1CNc2c(S1)cccc2 1P00EJLC [0,0,0,1,0,0|3,0,0]=4 724 B12R2.24 CC1COc2c(N1)cccc2 1P00C0UG [0,0,0,1,0,0|3,0,0]=4 725 B12R2.24 CC1CSc2c(N1)cccc2 1P00IES3 [0,0,0,1,0,0|3,0,0]=4 726 B12R2.24 CC1Cc2cccnc2NC1 1P0286CY [0,0,0,1,0,0|3,0,0]=4 727 B12R2.24 CC1NCc2c(C1)nccc2 1P024ZMV [0,0,0,1,0,0|1,0,0]=2 728 B12R2.24 CC1NCc2c(C1)nccc2 1P02933X [0,0,0,1,0,0|1,0,0]=2 729 B12R2.24 CN1CCc2c(C1)cccc2 1P001SPY [0,0,0,1,0,0|2,0,0]=3 730 B12R2.24 CN1CCc2c(C1)cccc2 1P00DJHF [0,0,0,1,0,0|2,0,0]=3 731 B12R2.24 CN1COc2c(C1)cccc2 1P01FX7S [0,0,0,1,0,0|3,0,0]=4 732 B12R2.24 C[C@@H]1CNc2c(O1)cccc2 1P0281EX [0,0,0,1,0,0|3,0,0]=4 733 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P01JVJO [0,0,0,1,0,0|0,0,0]=1 734 B12R2.24 C[C@@H]1NCc2c(C1)cccc2 1P02857A [0,0,0,1,0,0|0,0,0]=1 735 B12R2.24 C[C@H]1CNc2c(O1)cccc2 1P0280IJ [0,0,0,1,0,0|3,0,0]=4 736 B12R2.24 NC1CCc2c(C1)cccc2 1P00201L [0,0,0,1,0,0|2,0,0]=3 737 B12R2.24 NC1CCc2c(C1)cccc2 1P002Z65 [0,0,0,1,0,0|2,0,0]=3 738 B12R2.24 NC1CCc2c(C1)cccn2 1P019VS1 [0,0,0,1,0,0|3,0,0]=4 739 B12R2.24 NC1CNc2c(C1)cccc2 1P00C7ZK [0,0,0,1,0,0|3,0,0]=4 740 B12R2.24 NC1COc2c(C1)cccc2 1P00383B [0,0,0,1,0,0|3,0,0]=4 741 B12R2.24 NC1COc2c(C1)cccc2 1P00EFVT [0,0,0,1,0,0|3,0,0]=4 742 B12R2.24 NN1CCc2c(C1)cccc2 1P00G8HI [0,0,0,1,0,0|3,0,0]=4 743 B12R2.24 N[C@@H]1CCc2c(C1)cccc2 1P00389M [0,0,0,1,0,0|2,0,0]=3 744 B12R2.24 N[C@@H]1COc2c(C1)cccc2 1P003D2J [0,0,0,1,0,0|3,0,0]=4 745 B12R2.24 N[C@H]1CCc2c(C1)cccc2 1P00I4PM [0,0,0,1,0,0|2,0,0]=3 746 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [0,0,0,1,0,0|1,0,1]=3 747 B12R2.24 O=C1NCc2c(C1)cccn2 1P01DL4O [0,0,0,1,0,0|2,0,1]=4 748 B12R2.24 O=C1NCc2c(C1)cncc2 1P007BG4 [0,0,0,1,0,0|2,0,1]=4 749 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [0,0,0,1,0,0|2,0,1]=4 750 B12R2.24 O=C1NCc2c(O1)cccc2 1P009OMZ [0,0,0,1,0,0|2,0,1]=4 751 B12R2.24 O=C1OCc2c(C1)cccc2 1P00I8TK [0,0,0,1,0,0|2,0,1]=4 752 B12R2.24 OC1CCc2c(C1)cccc2 1P00D8EP [0,0,0,1,0,0|2,0,0]=3 753 B12R2.24 OC1CNc2c(C1)cccc2 1P00C6U7 [0,0,0,1,0,0|3,0,0]=4 754 B12R2.24 OC1CNc2c(C1)cccc2 1P01BGH0 [0,0,0,1,0,0|3,0,0]=4 755 B12R2.24 OC1OCc2c(C1)cccc2 1P00CVDY [0,0,0,1,0,0|2,0,0]=3 756 B12R2.24 O[C@@H]1CNc2c(C1)cccc2 1P00ILOH [0,0,0,1,0,0|3,0,0]=4 757 B12R2.24 O[C@H]1CNc2c(C1)cccc2 1P00HCNT [0,0,0,1,0,0|3,0,0]=4 758 B12R2.24 S=C1NCc2c(S1)cccc2 1P01EZRZ [0,0,0,1,0,0|2,0,1]=4 759 B12R2.24 SC1CCc2c(C1)cccc2 1P01AAN9 [0,0,0,1,0,0|2,0,0]=3 760 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 1P023T5T [0,0,0,1,0,0|2,0,0]=3 761 B12R2.27 C#C[C@@H]1C[C@H]1c2ccccc2 1P01K0VJ [0,0,0,1,0,0|1,0,1]=3 762 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [0,0,0,1,0,0|0,0,0]=1 763 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [0,0,0,1,0,0|0,0,0]=1 764 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [0,0,0,1,0,0|0,0,0]=1 765 B12R2.27 N#CC1CC1c2ccccc2 1P00I91M [0,0,0,1,0,0|2,0,0]=3 766 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P00DLCK [0,0,0,1,0,0|2,0,0]=3 767 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P024KON [0,0,0,1,0,0|2,0,0]=3 768 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 1P01C5EC [0,0,0,1,0,0|2,0,0]=3 769 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 1P01C5FJ [0,0,0,1,0,0|2,0,0]=3 770 B12R2.27 O=CC1CC1c2ccncc2 1P006PR2 [0,0,0,1,0,0|3,0,0]=4 771 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [0,0,0,1,0,0|2,0,0]=3 772 B12R2.27 OCC1CC1c2ccccc2 1P00IBDY [0,0,0,1,0,0|2,0,0]=3 773 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [0,0,0,1,0,0|3,0,0]=4 774 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 1P00034F [0,0,0,1,0,0|2,0,0]=3 775 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 1P00HAW2 [0,0,0,1,0,0|2,0,0]=3 776 B12R2.32 BrCC1Cc2c(C1)cccc2 1P00C715 [0,0,0,1,0,0|2,0,0]=3 777 B12R2.32 BrCC1Cc2c(O1)cccc2 1P002CXU [0,0,0,1,0,0|3,0,0]=4 778 B12R2.32 C#CC1Cc2c(C1)cccc2 1P00ABX8 [0,0,0,1,0,0|1,0,1]=3 779 B12R2.32 CNC1Cc2c(C1)cccc2 1P008T9L [0,0,0,1,0,0|0,0,0]=1 780 B12R2.32 CNc1nc2c([nH]1)cccc2 1P00AMFX [0,0,0,1,0,0|2,0,1]=4 781 B12R2.32 CNc1nc2c(o1)cccc2 1P002BGI [0,0,0,1,0,0|2,0,1]=4 782 B12R2.32 CNc1nc2c(s1)cccc2 1P00HZSB [0,0,0,1,0,0|2,0,1]=4 783 B12R2.32 CNc1nc2c(s1)cccc2 1P019KYU [0,0,0,1,0,0|2,0,1]=4 784 B12R2.32 ClCC1Cc2c(O1)cccc2 1P00DLTJ [0,0,0,1,0,0|3,0,0]=4 785 B12R2.32 ICC1Cc2c(O1)cccc2 1P00EFUD [0,0,0,1,0,0|3,0,0]=4 786 B12R2.32 N#CC1Cc2c(C1)cccc2 1P002TQR [0,0,0,1,0,0|2,0,0]=3 787 B12R2.32 N#CC1Cc2c(O1)cccc2 1P01PW8C [0,0,0,1,0,0|3,0,0]=4 788 B12R2.32 N#CN1Cc2c(C1)cccc2 1P005NPH [0,0,0,1,0,0|3,0,0]=4 789 B12R2.32 NCC1Cc2c(C1)cccc2 1P0026Z3 [0,0,0,1,0,0|2,0,0]=3 790 B12R2.32 NCC1Cc2c(C1)ccnc2 1P028DZX [0,0,0,1,0,0|3,0,0]=4 791 B12R2.32 NCC1Cc2c(N1)cccc2 1P027XO3 [0,0,0,1,0,0|3,0,0]=4 792 B12R2.32 NCC1Cc2c(O1)cccc2 1P00BI7W [0,0,0,1,0,0|3,0,0]=4 793 B12R2.32 O=CC1Cc2c(C1)cccc2 1P00C7D0 [0,0,0,1,0,0|2,0,0]=3 794 B12R2.32 O=CN1Cc2c(C1)cccc2 1P00CXYD [0,0,0,1,0,0|3,0,0]=4 795 B12R2.32 O=NN1Cc2c(C1)cccc2 1P0284Q1 [0,0,0,1,0,0|2,0,1]=4 796 B12R2.32 OCC1Cc2c(C1)cccc2 1P00DBQM [0,0,0,1,0,0|2,0,0]=3 797 B12R2.32 OCC1Cc2c(N1)cccc2 1P001AEN [0,0,0,1,0,0|3,0,0]=4 798 B12R2.32 OCC1Cc2c(O1)cccc2 1P00FBQ0 [0,0,0,1,0,0|3,0,0]=4 799 B12R2.32 OC[C@@H]1Cc2c(N1)cccc2 1P002US1 [0,0,0,1,0,0|3,0,0]=4 800 B12R2.32 OC[C@H]1Cc2c(N1)cccc2 1P00ID99 [0,0,0,1,0,0|3,0,0]=4 801 B12R2.32 ON=C1Cc2c(C1)cccc2 1P003HWV [0,0,0,1,0,0|1,0,2]=4 802 B12R2.37 CC1C(C1N)c2ccccc2 1P028KFB [0,0,0,1,0,0|2,0,0]=3 803 B12R2.94 NC1(CC1)Cc2ccccc2 1P01ADMZ [0,0,0,1,0,0|2,0,0]=3 804 B12R2.94 OC1(CC1)Cc2ccccc2 1P01AJWD [0,0,0,1,0,0|2,0,0]=3 805 B12R2.2051 NCC1(C)Cc2c1cccc2 1P0292PX [0,0,0,1,0,0|2,0,0]=3 806 B12R2.2058 C1CC(C1)Nc2ccccc2 1P019F77 [0,0,0,1,0,0|2,0,0]=3 807 B12R2.2058 C1CC(C1)Nc2ccccn2 1P028VS6 [0,0,0,1,0,0|3,0,0]=4 808 B12R2.2058 C1CC(N1)Cc2ccccc2 1P019U4V [0,0,0,1,0,0|0,0,0]=1 809 B12R2.2058 N1CC(C1)Cc2ccccc2 1P00GD0R [0,0,0,1,0,0|2,0,0]=3 810 B12R2.2058 N1CC(C1)Cc2ccccn2 1P01ASP2 [0,0,0,1,0,0|3,0,0]=4 811 B12R2.2058 N1CC(C1)Cc2cccnc2 1P01ASP1 [0,0,0,1,0,0|3,0,0]=4 812 B12R2.2058 N1CC(C1)Cc2ccncc2 1P01ASP7 [0,0,0,1,0,0|3,0,0]=4 813 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01BKLV [0,0,0,1,0,0|3,0,0]=4 814 B12R2.2058 N1CC(C1)Nc2ccccc2 1P01EKI0 [0,0,0,1,0,0|3,0,0]=4 815 B12R2.2058 N1CC(C1)Oc2ccccc2 1P0038WI [0,0,0,1,0,0|3,0,0]=4 816 B12R2.2058 N1CC(C1)Oc2ccccc2 1P00C2MF [0,0,0,1,0,0|3,0,0]=4 817 B12R2.2058 N1CC(C1)Sc2ccccc2 1P01ATIC [0,0,0,1,0,0|3,0,0]=4 818 B12R2.2058 O1CC(C1)Nc2ccccc2 1P01C1VA [0,0,0,1,0,0|3,0,0]=4 819 B10R1.15 *CC(c1ccccc1)* 1P0035YN [0,0,0,0,1,0|3,0,0]=4 820 B10R1.15 BrC(c1ccccc1)C#N 1P00EJ05 [0,0,0,0,1,0|3,0,0]=4 821 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [0,0,0,0,1,0|3,0,0]=4 822 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [0,0,0,0,1,0|2,0,0]=3 823 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [0,0,0,0,1,0|3,0,0]=4 824 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [0,0,0,0,1,0|3,0,0]=4 825 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [0,0,0,0,1,0|2,0,0]=3 826 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [0,0,0,0,1,0|2,0,0]=3 827 B10R1.15 C=CC(c1ccccc1)Cl 1P003VS1 [0,0,0,0,1,0|2,0,1]=4 828 B10R1.15 C=CC(c1ccccc1)Cl 1P00DC4E [0,0,0,0,1,0|2,0,1]=4 829 B10R1.15 C=CC(c1ccccc1)N 1P00IWY6 [0,0,0,0,1,0|2,0,1]=4 830 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [0,0,0,0,1,0|2,0,1]=4 831 B10R1.15 C=C[C@@H](c1ccccc1)N 1P01KKJG [0,0,0,0,1,0|2,0,1]=4 832 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KK9A [0,0,0,0,1,0|2,0,1]=4 833 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KKHY [0,0,0,0,1,0|2,0,1]=4 834 B10R1.15 CC(c1ccccc1)C#C 1P00DBLO [0,0,0,0,1,0|1,0,1]=3 835 B10R1.15 CC(c1ccccc1)C#N 1P00242Z [0,0,0,0,1,0|2,0,0]=3 836 B10R1.15 CC(c1ccccc1)[N+]#[C-] 1P001Z7Z [0,0,0,0,1,0|0,0,2]=3 837 B10R1.15 CC(c1ccncc1)C#N 1P019U6H [0,0,0,0,1,0|3,0,0]=4 838 B10R1.15 CC=C(c1ccccc1)C 1P002K1A [0,0,0,0,1,0|1,0,1]=3 839 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [0,0,0,0,1,0|1,0,2]=4 840 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [0,0,0,0,1,0|2,0,1]=4 841 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [0,0,0,0,1,0|2,0,0]=3 842 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [0,0,0,0,1,0|1,0,0]=2 843 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [0,0,0,0,1,0|2,0,0]=3 844 B10R1.15 CCC(c1ccccc1)N 1P003F3H [0,0,0,0,1,0|2,0,0]=3 845 B10R1.15 CCC(c1ccccc1)S 1P01A000 [0,0,0,0,1,0|2,0,0]=3 846 B10R1.15 CCC(c1ccccn1)N 1P0001KW [0,0,0,0,1,0|3,0,0]=4 847 B10R1.15 CCC(c1ccccn1)N 1P00J25M [0,0,0,0,1,0|3,0,0]=4 848 B10R1.15 CCC(c1cccnc1)N 1P000K5S [0,0,0,0,1,0|3,0,0]=4 849 B10R1.15 CCC(c1cccnc1)N 1P003DEE [0,0,0,0,1,0|3,0,0]=4 850 B10R1.15 CCC(c1ccncc1)N 1P00EEVC [0,0,0,0,1,0|3,0,0]=4 851 B10R1.15 CCC(c1ccncc1)N 1P01JV71 [0,0,0,0,1,0|3,0,0]=4 852 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [0,0,0,0,1,0|2,0,0]=3 853 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [0,0,0,0,1,0|2,0,0]=3 854 B10R1.15 CC[C@@H](c1ccncc1)N 1P00BBD4 [0,0,0,0,1,0|3,0,0]=4 855 B10R1.15 CC[C@@H](c1ccncc1)N 1P00HVU4 [0,0,0,0,1,0|3,0,0]=4 856 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [0,0,0,0,1,0|2,0,0]=3 857 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [0,0,0,0,1,0|2,0,0]=3 858 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [0,0,0,0,1,0|3,0,0]=4 859 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [0,0,0,0,1,0|3,0,0]=4 860 B10R1.15 CC[C@H](c1ccncc1)N 1P00HRY1 [0,0,0,0,1,0|3,0,0]=4 861 B10R1.15 CNC(=N)c1ccccc1 1P01BBOA [0,0,0,0,1,0|1,0,1]=3 862 B10R1.15 CNC(=N)c1ccccn1 1P028I43 [0,0,0,0,1,0|2,0,1]=4 863 B10R1.15 CNC(=N)c1cccnc1 1P01B6ZK [0,0,0,0,1,0|2,0,1]=4 864 B10R1.15 CNC(=O)c1ccccc1 1P003TNT [0,0,0,0,1,0|1,0,1]=3 865 B10R1.15 CNC(=O)c1ccccn1 1P00EFMA [0,0,0,0,1,0|2,0,1]=4 866 B10R1.15 CNC(=O)c1cccnc1 1P000AQ4 [0,0,0,0,1,0|2,0,1]=4 867 B10R1.15 CNC(=S)c1ccccc1 1P00E16P [0,0,0,0,1,0|1,0,1]=3 868 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [0,0,0,0,1,0|0,0,0]=1 869 B10R1.15 CNC(c1ccccc1)C 1P00C63A [0,0,0,0,1,0|0,0,0]=1 870 B10R1.15 CNC(c1ccccn1)C 1P008W2I [0,0,0,0,1,0|1,0,0]=2 871 B10R1.15 CNC(c1ccccn1)C 1P00J3U5 [0,0,0,0,1,0|1,0,0]=2 872 B10R1.15 CNC(c1ccccn1)C 1P019VP7 [0,0,0,0,1,0|1,0,0]=2 873 B10R1.15 CNC(c1cccnc1)C 1P008VWL [0,0,0,0,1,0|1,0,0]=2 874 B10R1.15 CNC(c1cccnc1)C 1P00J3UA [0,0,0,0,1,0|1,0,0]=2 875 B10R1.15 CNC(c1cccnc1)C 1P019VP6 [0,0,0,0,1,0|1,0,0]=2 876 B10R1.15 CNC(c1ccncc1)C 1P001RII [0,0,0,0,1,0|1,0,0]=2 877 B10R1.15 CNC(c1ccncc1)C 1P00J3HT [0,0,0,0,1,0|1,0,0]=2 878 B10R1.15 CNC(c1ccncc1)C 1P00J3UG [0,0,0,0,1,0|1,0,0]=2 879 B10R1.15 CNC(c1ccncn1)C 1P00J3U3 [0,0,0,0,1,0|2,0,0]=3 880 B10R1.15 CNC(c1ccnnc1)C 1P027UXS [0,0,0,0,1,0|2,0,0]=3 881 B10R1.15 CNC(c1ncccn1)C 1P028D2F [0,0,0,0,1,0|2,0,0]=3 882 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [0,0,0,0,1,0|0,0,0]=1 883 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [0,0,0,0,1,0|0,0,0]=1 884 B10R1.15 CN[C@@H](c1cccnc1)C 1P01FKUY [0,0,0,0,1,0|1,0,0]=2 885 B10R1.15 CN[C@@H](c1ccncc1)C 1P0281L9 [0,0,0,0,1,0|1,0,0]=2 886 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [0,0,0,0,1,0|0,0,0]=1 887 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [0,0,0,0,1,0|0,0,0]=1 888 B10R1.15 CN[C@H](c1cccnc1)C 1P01FKUX [0,0,0,0,1,0|1,0,0]=2 889 B10R1.15 CN[C@H](c1ccncc1)C 1P01FKUZ [0,0,0,0,1,0|1,0,0]=2 890 B10R1.15 CN[C@H](c1ccncc1)C 1P024UA1 [0,0,0,0,1,0|1,0,0]=2 891 B10R1.15 COC(=N)c1ccccc1 1P003SG1 [0,0,0,0,1,0|2,0,1]=4 892 B10R1.15 COC(=O)c1ccccc1 1P00IHWQ [0,0,0,0,1,0|2,0,1]=4 893 B10R1.15 COS(=O)c1ccccc1 1P0035P8 [0,0,0,0,1,0|3,0,0]=4 894 B10R1.15 CSC(=S)c1ccccc1 1P007PX1 [0,0,0,0,1,0|2,0,1]=4 895 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [0,0,0,0,1,0|3,0,0]=4 896 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [0,0,0,0,1,0|3,0,0]=4 897 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [0,0,0,0,1,0|3,0,0]=4 898 B10R1.15 FC(c1ccccc1)C#N 1P01ACVI [0,0,0,0,1,0|3,0,0]=4 899 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [0,0,0,0,1,0|3,0,0]=4 900 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [0,0,0,0,1,0|3,0,0]=4 901 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [0,0,0,0,1,0|3,0,0]=4 902 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [0,0,0,0,1,0|3,0,0]=4 903 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [0,0,0,0,1,0|3,0,0]=4 904 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [0,0,0,0,1,0|3,0,0]=4 905 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [0,0,0,0,1,0|3,0,0]=4 906 B10R1.15 NC(c1ccccc1)C#C 1P01BGT7 [0,0,0,0,1,0|2,0,1]=4 907 B10R1.15 NC(c1ccccc1)C#N 1P00AMGH [0,0,0,0,1,0|3,0,0]=4 908 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [0,0,0,0,1,0|3,0,0]=4 909 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [0,0,0,0,1,0|3,0,0]=4 910 B10R1.15 NCC(c1ccccc1)N 1P001X54 [0,0,0,0,1,0|3,0,0]=4 911 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [0,0,0,0,1,0|3,0,0]=4 912 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [0,0,0,0,1,0|3,0,0]=4 913 B10R1.15 NCC(c1ccncc1)C 1P019ULY [0,0,0,0,1,0|3,0,0]=4 914 B10R1.15 NCC(c1ccncc1)C 1P028YSF [0,0,0,0,1,0|3,0,0]=4 915 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [0,0,0,0,1,0|2,0,0]=3 916 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [0,0,0,0,1,0|2,0,0]=3 917 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [0,0,0,0,1,0|3,0,0]=4 918 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [0,0,0,0,1,0|3,0,0]=4 919 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [0,0,0,0,1,0|2,0,0]=3 920 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [0,0,0,0,1,0|3,0,0]=4 921 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [0,0,0,0,1,0|3,0,0]=4 922 B10R1.15 NNC(=N)c1ccccc1 1P002X41 [0,0,0,0,1,0|2,0,1]=4 923 B10R1.15 NNC(=O)c1ccccc1 1P003OJR [0,0,0,0,1,0|2,0,1]=4 924 B10R1.15 NNC(=S)c1ccccc1 1P002AZ4 [0,0,0,0,1,0|2,0,1]=4 925 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [0,0,0,0,1,0|1,0,0]=2 926 B10R1.15 NNC(c1ccncc1)C 1P01C4JV [0,0,0,0,1,0|2,0,0]=3 927 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [0,0,0,0,1,0|2,0,0]=3 928 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [0,0,0,0,1,0|2,0,0]=3 929 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [0,0,0,0,1,0|2,0,0]=3 930 B10R1.15 NO[C@@H](c1ccccn1)C 1P01FJMV [0,0,0,0,1,0|3,0,0]=4 931 B10R1.15 NO[C@@H](c1ccncc1)C 1P028PT8 [0,0,0,0,1,0|3,0,0]=4 932 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [0,0,0,0,1,0|2,0,0]=3 933 B10R1.15 NO[C@H](c1ccccn1)C 1P028T37 [0,0,0,0,1,0|3,0,0]=4 934 B10R1.15 NO[C@H](c1ccncc1)C 1P028JYV [0,0,0,0,1,0|3,0,0]=4 935 B10R1.15 N[C@@H](c1ccccc1)C#C 1P028XYR [0,0,0,0,1,0|2,0,1]=4 936 B10R1.15 N[C@@H](c1ccccc1)C#N 1P003IC6 [0,0,0,0,1,0|3,0,0]=4 937 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [0,0,0,0,1,0|2,0,0]=3 938 B10R1.15 O=CN(c1ccccc1)C 1P003TOE [0,0,0,0,1,0|3,0,0]=4 939 B10R1.15 O=NN(c1ccccc1)C 1P003TPQ [0,0,0,0,1,0|2,0,1]=4 940 B10R1.15 OC(c1ccccc1)C#C 1P003F2P [0,0,0,0,1,0|2,0,1]=4 941 B10R1.15 OC(c1ccccc1)C#N 1P0035L5 [0,0,0,0,1,0|3,0,0]=4 942 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [0,0,0,0,1,0|2,0,0]=3 943 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [0,0,0,0,1,0|3,0,0]=4 944 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [0,0,0,0,1,0|3,0,0]=4 945 B10R1.15 OCC(c1ccccn1)C 1P01C4B7 [0,0,0,0,1,0|3,0,0]=4 946 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [0,0,0,0,1,0|2,0,0]=3 947 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [0,0,0,0,1,0|3,0,0]=4 948 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [0,0,0,0,1,0|3,0,0]=4 949 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [0,0,0,0,1,0|2,0,0]=3 950 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [0,0,0,0,1,0|3,0,0]=4 951 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [0,0,0,0,1,0|3,0,0]=4 952 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [0,0,0,0,1,0|3,0,0]=4 953 B10R1.15 ON=C(c1ccccc1)C 1P00DMUA [0,0,0,0,1,0|1,0,2]=4 954 B10R1.15 ONC(=O)c1ccccc1 1P003OIX [0,0,0,0,1,0|2,0,1]=4 955 B10R1.15 ONC(c1ccccc1)C 1P002XUP [0,0,0,0,1,0|1,0,0]=2 956 B10R1.15 O[C@@H](c1ccccc1)C#C 1P003COU [0,0,0,0,1,0|2,0,1]=4 957 B10R1.15 O[C@H](c1ccccc1)C#C 1P003D0N [0,0,0,0,1,0|2,0,1]=4 958 B10R1.15 O[C@H](c1ccccc1)C#N 1P0001PU [0,0,0,0,1,0|3,0,0]=4 959 B10R1.15 O\N=C(\c1ccccc1)/C 1P003O45 [0,0,0,0,1,0|1,0,2]=4 960 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [0,0,0,0,1,0|2,0,0]=3 961 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [0,0,0,0,1,0|2,0,0]=3 962 B10R1.15 [O-]NC(=O)c1ccccc1 1P003OIY [0,0,0,0,1,0|2,0,1]=4 963 B10R1.15 [O-]NC(=O)c1ccccc1 1P00C19F [0,0,0,0,1,0|2,0,1]=4 964 B10R1.27 CC(NC)Cc1cncs1 1P028BD4 [0,0,0,0,1,0|2,0,0]=3 965 B10R1.27 CCC(Cc1c[nH]cc1)N 1P027Z2R [0,0,0,0,1,0|3,0,0]=4 966 B10R1.27 CCC(Cc1cccs1)Cl 1P01BYDP [0,0,0,0,1,0|3,0,0]=4 967 B10R1.27 CNC(Cc1c[nH]nc1)C 1P0281AS [0,0,0,0,1,0|2,0,0]=3 968 B10R1.27 CNC(Cc1cscc1)C 1P019U95 [0,0,0,0,1,0|1,0,0]=2 969 B10R1.27 NCC(Cc1cccs1)C 1P019Q9M [0,0,0,0,1,0|3,0,0]=4 970 B12R1.27 BrCC(OCc1ccccc1)C 1P027K7W [0,0,0,0,0,1|2,0,0]=3 971 B12R1.27 CCC(=O)CCc1ccccc1 1P002JUD [0,0,0,0,0,1|2,0,1]=4 972 B12R1.27 CCC(=O)OCc1ccccc1 1P0016ZO [0,0,0,0,0,1|2,0,1]=4 973 B12R1.27 CCC(CCc1ccccc1)N 1P00EOLQ [0,0,0,0,0,1|2,0,0]=3 974 B12R1.27 CCC(CCc1cccnc1)O 1P01BU2G [0,0,0,0,0,1|3,0,0]=4 975 B12R1.27 CCC(CNc1ccccc1)N 1P01APH0 [0,0,0,0,0,1|2,0,0]=3 976 B12R1.27 CCC(CNc1ccccc1)O 1P01A8V7 [0,0,0,0,0,1|2,0,0]=3 977 B12R1.27 CCC(COc1ccccc1)N 1P00BOHB [0,0,0,0,0,1|2,0,0]=3 978 B12R1.27 CCC(NCc1ccccc1)C 1P019OAH [0,0,0,0,0,1|1,0,0]=2 979 B12R1.27 CCC(NCc1ccccn1)C 1P00J4EV [0,0,0,0,0,1|2,0,0]=3 980 B12R1.27 CCC(NCc1cccnc1)C 1P00J4IE [0,0,0,0,0,1|2,0,0]=3 981 B12R1.27 CCC(NCc1ccncc1)C 1P00J4G6 [0,0,0,0,0,1|2,0,0]=3 982 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [0,0,0,0,0,1|1,0,1]=3 983 B12R1.27 CNC(=O)CSc1ccccc1 1P01C2IN [0,0,0,0,0,1|1,0,1]=3 984 B12R1.27 CNC(=O)OCc1ccccc1 1P00BG3C [0,0,0,0,0,1|1,0,1]=3 985 B12R1.27 CNC(CSc1ccccc1)C 1P01C3CH [0,0,0,0,0,1|0,0,0]=1 986 B12R1.27 CNC(CSc1ccccc1)C 1P01C5OD [0,0,0,0,0,1|0,0,0]=1 987 B12R1.27 COC(=O)CCc1ccccc1 1P003KCI [0,0,0,0,0,1|2,0,1]=4 988 B12R1.27 COC(=O)CNc1ccccc1 1P00CCQB [0,0,0,0,0,1|2,0,1]=4 989 B12R1.27 COC(=O)COc1ccccc1 1P003SIO [0,0,0,0,0,1|2,0,1]=4 990 B12R1.27 COC(=O)CSc1ccccc1 1P003RZH [0,0,0,0,0,1|2,0,1]=4 991 B12R1.27 COC(=O)NCc1ccccc1 1P00EDGO [0,0,0,0,0,1|2,0,1]=4 992 B12R1.27 FCC(COc1ccccc1)O 1P005I7E [0,0,0,0,0,1|3,0,0]=4 993 B12R1.27 NCC(COc1ccccc1)C 1P027UPS [0,0,0,0,0,1|2,0,0]=3 994 B12R1.27 NCC(COc1ccccc1)O 1P0071Q2 [0,0,0,0,0,1|3,0,0]=4 995 B12R1.27 NCC(OCc1ccccc1)C 1P02826G [0,0,0,0,0,1|2,0,0]=3 996 B12R1.27 NCC(SCc1ccccc1)C 1P01EILD [0,0,0,0,0,1|2,0,0]=3 997 B12R1.27 NC[C@@H](NCc1ccccc1)C 1P01BE91 [0,0,0,0,0,1|2,0,0]=3 998 B12R1.27 NNC(=O)CCc1ccccc1 1P00BZPV [0,0,0,0,0,1|2,0,1]=4 999 B12R1.27 NNC(=O)COc1ccccc1 1P00D9BF [0,0,0,0,0,1|2,0,1]=4 1000 B12R1.27 NNC(=O)NCc1ccccc1 1P00AVUU [0,0,0,0,0,1|2,0,1]=4 1001 B12R1.27 NNC(=O)OCc1ccccc1 1P0037SQ [0,0,0,0,0,1|2,0,1]=4 1002 B12R1.27 NNC(=O)OCc1ccccc1 1P00BFD7 [0,0,0,0,0,1|2,0,1]=4 1003 B12R1.27 NNC(=S)NCc1ccccc1 1P003L9I [0,0,0,0,0,1|2,0,1]=4 1004 B12R1.27 NNC(COc1ccccc1)C 1P01BCUE [0,0,0,0,0,1|1,0,0]=2 1005 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [0,0,0,0,0,1|2,0,0]=3 1006 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [0,0,0,0,0,1|2,0,0]=3 1007 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [0,0,0,0,0,1|2,0,1]=4 1008 B12R1.27 OCC(CCc1ccccc1)C 1P0293DW [0,0,0,0,0,1|2,0,0]=3 1009 B12R1.27 OCC(COc1ccccc1)C 1P019ZH0 [0,0,0,0,0,1|2,0,0]=3 1010 B12R1.27 OCC(COc1ccccc1)F 1P01ANRU [0,0,0,0,0,1|3,0,0]=4 1011 B12R1.27 OCC(COc1ccccc1)O 1P003KBM [0,0,0,0,0,1|3,0,0]=4 1012 B12R1.27 OCC(NCc1ccccn1)C 1P01AZ6S [0,0,0,0,0,1|3,0,0]=4 1013 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [0,0,0,0,0,1|2,0,0]=3 1014 B12R1.27 OC[C@@H](CCc1ccccc1)N 1P01BJI2 [0,0,0,0,0,1|3,0,0]=4 1015 B12R1.27 OC[C@@H](COc1ccccc1)O 1P006YP0 [0,0,0,0,0,1|3,0,0]=4 1016 B12R1.27 OC[C@@H](NCc1ccccc1)C 1P006086 [0,0,0,0,0,1|2,0,0]=3 1017 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [0,0,0,0,0,1|2,0,0]=3 1018 B12R1.27 OC[C@H](CCc1ccccc1)N 1P01BJI0 [0,0,0,0,0,1|3,0,0]=4 1019 B12R1.27 OC[C@H](NCc1ccccc1)C 1P005B2X [0,0,0,0,0,1|2,0,0]=3 1020 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [0,0,0,0,0,1|2,0,0]=3 1021 B12R1.27 ONC(=N)CCc1ccccc1 1P002DYI [0,0,0,0,0,1|2,0,1]=4 1022 B12R1.27 ONC(=O)OCc1ccccc1 1P003OL5 [0,0,0,0,0,1|2,0,1]=4 1023 B9R0.2 C=CC=CC=CCC(=O)C 1P0286AW [1,0,1,0,0,0|1,0,1]=4 1024 B9R0.45 CCCC\C=C\C=C\C=O 1P00IM07 [1,0,1,0,0,0|2,0,0]=4 1025 B9R1.8 BrCCc1ccccc1 1P003EKU [2,0,0,0,0,0|1,0,0]=3 1026 B9R1.8 BrCCc1ccccn1 1P0033B6 [2,0,0,0,0,0|2,0,0]=4 1027 B9R1.8 BrCCc1cccnc1 1P00CJF9 [2,0,0,0,0,0|2,0,0]=4 1028 B9R1.8 BrCCc1ccncc1 1P01BGQT [2,0,0,0,0,0|2,0,0]=4 1029 B9R1.8 C=CCc1ccccc1 1P003O6X [2,0,0,0,0,0|0,0,2]=4 1030 B9R1.8 CC#Cc1ccccc1 1P000515 [2,0,0,0,0,0|0,0,2]=4 1031 B9R1.8 CCC[n+]1ccccc1 1P002N7W [2,0,0,0,0,0|1,0,0]=3 1032 B9R1.8 CCCc1ccccc1 1P003UGP [2,0,0,0,0,0|0,0,0]=2 1033 B9R1.8 CCCc1ccccn1 1P003IDJ [2,0,0,0,0,0|1,0,0]=3 1034 B9R1.8 CCCc1cccnc1 1P00DG48 [2,0,0,0,0,0|1,0,0]=3 1035 B9R1.8 CCCc1cccnn1 1P01ANOM [2,0,0,0,0,0|2,0,0]=4 1036 B9R1.8 CCCc1ccncc1 1P003MH0 [2,0,0,0,0,0|1,0,0]=3 1037 B9R1.8 CCCc1cnccn1 1P003BQC [2,0,0,0,0,0|2,0,0]=4 1038 B9R1.8 CCNc1ccccc1 1P0035UD [2,0,0,0,0,0|1,0,0]=3 1039 B9R1.8 CCNc1ccccn1 1P003FIU [2,0,0,0,0,0|2,0,0]=4 1040 B9R1.8 CCNc1cccnc1 1P00CN8W [2,0,0,0,0,0|2,0,0]=4 1041 B9R1.8 CCNc1ccncc1 1P00I7EH [2,0,0,0,0,0|2,0,0]=4 1042 B9R1.8 CCOc1ccccc1 1P003U4U [2,0,0,0,0,0|1,0,0]=3 1043 B9R1.8 CCOc1ccccn1 1P001L8A [2,0,0,0,0,0|2,0,0]=4 1044 B9R1.8 CCOc1cccnc1 1P00ANFG [2,0,0,0,0,0|2,0,0]=4 1045 B9R1.8 CCOc1ccncc1 1P00C0Z1 [2,0,0,0,0,0|2,0,0]=4 1046 B9R1.8 CCSc1ccccc1 1P003QX8 [2,0,0,0,0,0|1,0,0]=3 1047 B9R1.8 CCSc1ccccn1 1P002EQQ [2,0,0,0,0,0|2,0,0]=4 1048 B9R1.8 CNCc1ccccc1 1P0035T0 [2,0,0,0,0,0|0,0,0]=2 1049 B9R1.8 CNCc1ccccn1 1P002L6V [2,0,0,0,0,0|1,0,0]=3 1050 B9R1.8 CNCc1ccccn1 1P00H9TS [2,0,0,0,0,0|1,0,0]=3 1051 B9R1.8 CNCc1cccnc1 1P003IN0 [2,0,0,0,0,0|1,0,0]=3 1052 B9R1.8 CNCc1cccnc1 1P00JLQD [2,0,0,0,0,0|1,0,0]=3 1053 B9R1.8 CNCc1cccnn1 1P01B717 [2,0,0,0,0,0|2,0,0]=4 1054 B9R1.8 CNCc1ccncc1 1P003TOO [2,0,0,0,0,0|1,0,0]=3 1055 B9R1.8 CNCc1ccncc1 1P009DU1 [2,0,0,0,0,0|1,0,0]=3 1056 B9R1.8 CNCc1ccncn1 1P00J3UF [2,0,0,0,0,0|2,0,0]=4 1057 B9R1.8 CNCc1cnccn1 1P0081AR [2,0,0,0,0,0|2,0,0]=4 1058 B9R1.8 CNCc1cncnc1 1P00E7RF [2,0,0,0,0,0|2,0,0]=4 1059 B9R1.8 CNCc1cncnc1 1P01C5YL [2,0,0,0,0,0|2,0,0]=4 1060 B9R1.8 CNCc1ncccn1 1P007VAV [2,0,0,0,0,0|2,0,0]=4 1061 B9R1.8 CNCc1ncccn1 1P00ILX1 [2,0,0,0,0,0|2,0,0]=4 1062 B9R1.8 CNCc1ncccn1 1P01DIF5 [2,0,0,0,0,0|2,0,0]=4 1063 B9R1.8 CNNc1ccccc1 1P00H3DS [2,0,0,0,0,0|1,0,0]=3 1064 B9R1.8 COCc1ccccc1 1P003OL0 [2,0,0,0,0,0|1,0,0]=3 1065 B9R1.8 COCc1ccccn1 1P002O7L [2,0,0,0,0,0|2,0,0]=4 1066 B9R1.8 COCc1ccncc1 1P00FGIA [2,0,0,0,0,0|2,0,0]=4 1067 B9R1.8 CSCc1ccccc1 1P003OL2 [2,0,0,0,0,0|1,0,0]=3 1068 B9R1.8 CSCc1ccccn1 1P00K0NO [2,0,0,0,0,0|2,0,0]=4 1069 B9R1.8 CSCc1cccnc1 1P01DX2J [2,0,0,0,0,0|2,0,0]=4 1070 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [2,0,0,0,0,0|0,0,2]=4 1071 B9R1.8 C\C=C\c1ccccc1 1P003VFF [2,0,0,0,0,0|0,0,2]=4 1072 B9R1.8 C\N=C\c1ccccc1 1P003T8J [2,0,0,0,0,0|0,0,2]=4 1073 B9R1.8 ClCCc1ccccc1 1P0032NZ [2,0,0,0,0,0|1,0,0]=3 1074 B9R1.8 ClCCc1ccccn1 1P00AQES [2,0,0,0,0,0|2,0,0]=4 1075 B9R1.8 ClCCc1ccccn1 1P00CB7K [2,0,0,0,0,0|2,0,0]=4 1076 B9R1.8 ClCCc1cccnc1 1P00CLVG [2,0,0,0,0,0|2,0,0]=4 1077 B9R1.8 ClCCc1ccncc1 1P00G7HW [2,0,0,0,0,0|2,0,0]=4 1078 B9R1.8 ClCSc1ccccc1 1P003PAU [2,0,0,0,0,0|2,0,0]=4 1079 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [2,0,0,0,0,0|1,1,0]=4 1080 B9R1.8 ICCc1ccccc1 1P001ZMC [2,0,0,0,0,0|1,0,0]=3 1081 B9R1.8 ICCc1cccnc1 1P01APKH [2,0,0,0,0,0|2,0,0]=4 1082 B9R1.8 NCCc1ccccc1 1P001OVX [2,0,0,0,0,0|0,0,0]=2 1083 B9R1.8 NCCc1ccccc1 1P00AL3F [2,0,0,0,0,0|0,0,0]=2 1084 B9R1.8 NCCc1ccccn1 1P0033BC [2,0,0,0,0,0|1,0,0]=3 1085 B9R1.8 NCCc1cccnc1 1P0031LS [2,0,0,0,0,0|1,0,0]=3 1086 B9R1.8 NCCc1cccnc1 1P007RI3 [2,0,0,0,0,0|1,0,0]=3 1087 B9R1.8 NCCc1cccnc1 1P00G4HF [2,0,0,0,0,0|1,0,0]=3 1088 B9R1.8 NCCc1ccncc1 1P0011CE [2,0,0,0,0,0|1,0,0]=3 1089 B9R1.8 NCCc1ccncc1 1P00EB7D [2,0,0,0,0,0|1,0,0]=3 1090 B9R1.8 NCCc1ccncn1 1P00G8NQ [2,0,0,0,0,0|2,0,0]=4 1091 B9R1.8 NCCc1ccnnc1 1P01FJWH [2,0,0,0,0,0|2,0,0]=4 1092 B9R1.8 NCCc1cnccn1 1P00D8UG [2,0,0,0,0,0|2,0,0]=4 1093 B9R1.8 NCCc1cnccn1 1P00HZ0H [2,0,0,0,0,0|2,0,0]=4 1094 B9R1.8 NCCc1cncnc1 1P00G7HI [2,0,0,0,0,0|2,0,0]=4 1095 B9R1.8 NCCc1cncnc1 1P01B7EM [2,0,0,0,0,0|2,0,0]=4 1096 B9R1.8 NCCc1ncccn1 1P00IKQC [2,0,0,0,0,0|2,0,0]=4 1097 B9R1.8 NNCc1ccccc1 1P002AS6 [2,0,0,0,0,0|1,0,0]=3 1098 B9R1.8 NNCc1ccccc1 1P003OLM [2,0,0,0,0,0|1,0,0]=3 1099 B9R1.8 NNCc1ccccc1 1P00VUSV [2,0,0,0,0,0|1,0,0]=3 1100 B9R1.8 NNCc1ccccn1 1P00BJY5 [2,0,0,0,0,0|2,0,0]=4 1101 B9R1.8 NNCc1ccccn1 1P00IG9V [2,0,0,0,0,0|2,0,0]=4 1102 B9R1.8 NNCc1cccnc1 1P0033XM [2,0,0,0,0,0|2,0,0]=4 1103 B9R1.8 NNCc1cccnc1 1P00EM3P [2,0,0,0,0,0|2,0,0]=4 1104 B9R1.8 NNCc1cccnc1 1P00FT0X [2,0,0,0,0,0|2,0,0]=4 1105 B9R1.8 NNCc1ccncc1 1P00GVVL [2,0,0,0,0,0|2,0,0]=4 1106 B9R1.8 NOCc1ccccc1 1P0035W0 [2,0,0,0,0,0|1,0,0]=3 1107 B9R1.8 NOCc1ccccc1 1P003TWF [2,0,0,0,0,0|1,0,0]=3 1108 B9R1.8 NOCc1ccccn1 1P01C2PM [2,0,0,0,0,0|2,0,0]=4 1109 B9R1.8 NOCc1cccnc1 1P00I7X0 [2,0,0,0,0,0|2,0,0]=4 1110 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [2,0,0,0,0,0|1,0,1]=4 1111 B9R1.8 O=CCc1ccccc1 1P00170M [2,0,0,0,0,0|1,0,1]=4 1112 B9R1.8 OCCc1ccccc1 1P0033W3 [2,0,0,0,0,0|1,0,0]=3 1113 B9R1.8 OCCc1ccccn1 1P0038HY [2,0,0,0,0,0|2,0,0]=4 1114 B9R1.8 OCCc1cccnc1 1P003FB1 [2,0,0,0,0,0|2,0,0]=4 1115 B9R1.8 OCCc1ccncc1 1P003FL5 [2,0,0,0,0,0|2,0,0]=4 1116 B9R1.8 OCCc1ccncc1 1P00CHZZ [2,0,0,0,0,0|2,0,0]=4 1117 B9R1.8 ONCc1ccccc1 1P002ZBQ [2,0,0,0,0,0|1,0,0]=3 1118 B9R1.8 ONCc1ccccc1 1P003920 [2,0,0,0,0,0|1,0,0]=3 1119 B9R1.8 SCCc1ccccc1 1P00DCX2 [2,0,0,0,0,0|1,0,0]=3 1120 B9R1.8 SCCc1ccccn1 1P0029Y7 [2,0,0,0,0,0|2,0,0]=4 1121 B9R1.8 SCCc1ccncc1 1P003MH7 [2,0,0,0,0,0|2,0,0]=4 1122 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [2,0,0,0,0,0|0,0,2]=4 1123 B11R1.1 BrCCCc1ccc(cc1)Br 1P01BLCU [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.1 BrCCCc1ccc(cc1)C 1P01A6EG [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.1 BrCCCc1ccc(cc1)Cl 1P0037IZ [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.1 BrCCCc1ccc(cc1)F 1P002ORA [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.1 BrCCCc1ccc(cc1)I 1P01BLFM [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.1 BrCCCc1ccc(cc1)O 1P006VWS [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.1 C#CCCc1ccc(cc1)O 1P020MQB [1,1,0,0,0,0|1,0,1]=4 1130 B11R1.1 C=CCCc1ccc(cc1)Br 1P00AE9C [1,1,0,0,0,0|1,0,1]=4 1131 B11R1.1 C=CCCc1ccc(cc1)O 1P00HUVT [1,1,0,0,0,0|1,0,1]=4 1132 B11R1.1 CCCC[n+]1ccc(cc1)C 1P0035TW [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003EN8 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003EN9 [1,1,0,0,0,0|2,0,0]=4 1135 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003TBQ [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.1 CCCCc1ccc(cc1)Br 1P00336L [1,1,0,0,0,0|1,0,0]=3 1137 B11R1.1 CCCCc1ccc(cc1)Cl 1P001NZO [1,1,0,0,0,0|1,0,0]=3 1138 B11R1.1 CCCCc1ccc(cc1)I 1P002IZU [1,1,0,0,0,0|1,0,0]=3 1139 B11R1.1 CCCCc1ccc(cc1)N 1P003LI3 [1,1,0,0,0,0|1,0,0]=3 1140 B11R1.1 CCCCc1ccc(cc1)O 1P001UUX [1,1,0,0,0,0|1,0,0]=3 1141 B11R1.1 CCCCc1ccc(cc1)S 1P00DDOD [1,1,0,0,0,0|1,0,0]=3 1142 B11R1.1 CCCNc1ccc(cc1)Cl 1P01AE4M [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.1 CCCNc1ccc(cc1)Cl 1P01AHRO [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.1 CCCOc1ccc(cc1)Br 1P003ELU [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.1 CCCOc1ccc(cc1)I 1P005SUU [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.1 CCCOc1ccc(cc1)N 1P003MGN [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.1 CCCOc1ccc(cc1)O 1P002EF3 [1,1,0,0,0,0|2,0,0]=4 1148 B11R1.1 CCCSc1ccc(cc1)Br 1P008QGI [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.1 CCCSc1ccc(cc1)O 1P002EFO [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.1 CCNCc1ccc(cc1)Br 1P003TGJ [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.1 CCNCc1ccc(cc1)Br 1P00J2CJ [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.1 CCNCc1ccc(cc1)C 1P00CJ9L [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.1 CCNCc1ccc(cc1)Cl 1P0007GX [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.1 CCNCc1ccc(cc1)Cl 1P003TGL [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.1 CCNCc1ccc(cc1)F 1P001TJ2 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.1 CCNCc1ccc(cc1)F 1P0094SB [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.1 CCNCc1ccc(cc1)N 1P0006EC [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.1 CCNCc1ccc(cc1)O 1P003L1C [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.1 CCNCc1ccc(cc1)O 1P01A8XI [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.1 CCOCc1ccc(cc1)Br 1P00IJ6E [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.1 CCOCc1ccc(cc1)C 1P01HZM1 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.1 CCOCc1ccc(cc1)N 1P019TIW [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.1 CCOCc1ccc(cc1)O 1P00EH9G [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.1 CCSCc1ccc(cc1)N 1P01C1X8 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.1 CNCCc1ccc(cc1)Br 1P005GJI [1,1,0,0,0,0|0,0,0]=2 1166 B11R1.1 CNCCc1ccc(cc1)C 1P002M61 [1,1,0,0,0,0|0,0,0]=2 1167 B11R1.1 CNCCc1ccc(cc1)C 1P0281GG [1,1,0,0,0,0|0,0,0]=2 1168 B11R1.1 CNCCc1ccc(cc1)Cl 1P003TNH [1,1,0,0,0,0|0,0,0]=2 1169 B11R1.1 CNCCc1ccc(cc1)F 1P00DGHB [1,1,0,0,0,0|0,0,0]=2 1170 B11R1.1 CNCCc1ccc(cc1)F 1P01EJKN [1,1,0,0,0,0|0,0,0]=2 1171 B11R1.1 CNCCc1ccc(cc1)N 1P007J2S [1,1,0,0,0,0|0,0,0]=2 1172 B11R1.1 CNCCc1ccc(cc1)O 1P000V5Z [1,1,0,0,0,0|0,0,0]=2 1173 B11R1.1 CNCCc1ccc(cc1)O 1P00BY6Y [1,1,0,0,0,0|0,0,0]=2 1174 B11R1.1 CNCCc1ncc(cn1)Br 1P01FJ58 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.1 COCCc1ccc(cc1)Br 1P00EL62 [1,1,0,0,0,0|1,0,0]=3 1176 B11R1.1 COCCc1ccc(cc1)Cl 1P01C44H [1,1,0,0,0,0|1,0,0]=3 1177 B11R1.1 COCCc1ccc(cc1)N 1P004NWE [1,1,0,0,0,0|1,0,0]=3 1178 B11R1.1 COCCc1ccc(cc1)O 1P00349D [1,1,0,0,0,0|1,0,0]=3 1179 B11R1.1 COCOc1ccc(cc1)Br 1P003EL7 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.1 COCOc1ccc(cc1)N 1P004LV4 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.1 CONCc1ccc(cc1)Cl 1P01ALLH [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.1 CSCCc1ccc(cc1)N 1P01AAJ2 [1,1,0,0,0,0|1,0,0]=3 1183 B11R1.1 ClCCCc1ccc(cc1)Br 1P0036ZE [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.1 ClCCCc1ccc(cc1)Cl 1P00EDKT [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.1 ICCCc1ccc(cc1)F 1P0077E5 [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.1 N#CCCc1ccc(cc1)Br 1P00EAIK [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.1 N#CCCc1ccc(cc1)Cl 1P00BY90 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.1 N#CCCc1ccc(cc1)F 1P00BIJZ [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.1 N#CCCc1ccc(cc1)N 1P01C0OF [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.1 N#CCCc1ccc(cc1)N 1P028DQU [1,1,0,0,0,0|2,0,0]=4 1191 B11R1.1 N#CCCc1ccc(cc1)O 1P001ZJL [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.1 NC1=CC=C(C=C1)CCCN 1P01G057 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.1 NCCCc1ccc(cc1)Br 1P00FHQ2 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.1 NCCCc1ccc(cc1)Br 1P0284CP [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.1 NCCCc1ccc(cc1)C 1P00DDD0 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.1 NCCCc1ccc(cc1)C 1P028H08 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.1 NCCCc1ccc(cc1)Cl 1P0038D9 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.1 NCCCc1ccc(cc1)Cl 1P01A8XK [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.1 NCCCc1ccc(cc1)F 1P00052B [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.1 NCCCc1ccc(cc1)F 1P01DP7M [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.1 NCCCc1ccc(cc1)I 1P027W38 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.1 NCCCc1ccc(cc1)O 1P00VTXU [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.1 O=CCCc1ccc(cc1)Br 1P0051VF [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.1 O=CCCc1ccc(cc1)Cl 1P008Q2P [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.1 O=CCCc1ccc(cc1)F 1P00EG6O [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.1 O=CCCc1ccc(cc1)I 1P01BUL9 [1,1,0,0,0,0|2,0,0]=4 1207 B11R1.1 O=CCCc1ccc(cc1)O 1P0028NJ [1,1,0,0,0,0|2,0,0]=4 1208 B11R1.1 OCCCc1ccc(cc1)Br 1P003LG7 [1,1,0,0,0,0|2,0,0]=4 1209 B11R1.1 OCCCc1ccc(cc1)C 1P00DGBS [1,1,0,0,0,0|2,0,0]=4 1210 B11R1.1 OCCCc1ccc(cc1)Cl 1P00EABC [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.1 OCCCc1ccc(cc1)F 1P005XDJ [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.1 OCCCc1ccc(cc1)N 1P001DTD [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.1 OCCCc1ccc(cc1)O 1P000734 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.16 BrCCC(c1ccccc1)O 1P01BU72 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.16 C=CCC(c1ccccc1)N 1P019ZKP [1,1,0,0,0,0|1,0,1]=4 1216 B11R1.16 C=CCC(c1ccccc1)O 1P003F2U [1,1,0,0,0,0|1,0,1]=4 1217 B11R1.16 C=CC[C@@H](c1ccccc1)N 1P028TS3 [1,1,0,0,0,0|1,0,1]=4 1218 B11R1.16 C=CC[C@H](c1ccccc1)N 1P000GXM [1,1,0,0,0,0|1,0,1]=4 1219 B11R1.16 C=CC[C@H](c1ccccc1)N 1P001104 [1,1,0,0,0,0|1,0,1]=4 1220 B11R1.16 CC(c1ccccc1)CC#C 1P01XITB [1,1,0,0,0,0|1,0,1]=4 1221 B11R1.16 CC(c1ccccc1)CC#N 1P01A5MS [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.16 CCCC(=O)c1ccccc1 1P003P38 [1,1,0,0,0,0|1,0,1]=4 1223 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [1,1,0,0,0,0|1,0,0]=3 1224 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [1,1,0,0,0,0|1,0,0]=3 1225 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [1,1,0,0,0,0|1,0,0]=3 1226 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [1,1,0,0,0,0|1,0,0]=3 1227 B11R1.16 CCCC(c1ccccn1)C 1P01EXTY [1,1,0,0,0,0|2,0,0]=4 1228 B11R1.16 CCCC(c1ccccn1)N 1P006PDX [1,1,0,0,0,0|2,0,0]=4 1229 B11R1.16 CCCC(c1ccccn1)O 1P028Z4O [1,1,0,0,0,0|2,0,0]=4 1230 B11R1.16 CCCC(c1cccnc1)N 1P00IGO1 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.16 CCCC(c1ccncc1)N 1P0094A8 [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.16 CCCC(c1ccncc1)N 1P01DUNN [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.16 CCNC(c1ccccc1)C 1P0004S9 [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.16 CNCC(c1ccccc1)C 1P00E9JV [1,1,0,0,0,0|0,0,0]=2 1235 B11R1.16 CNCC(c1ccccc1)C 1P00GWGF [1,1,0,0,0,0|0,0,0]=2 1236 B11R1.16 CNCC(c1ccccc1)O 1P003QA3 [1,1,0,0,0,0|0,0,0]=2 1237 B11R1.16 CNCC(c1cccnc1)O 1P01AKS6 [1,1,0,0,0,0|1,0,0]=3 1238 B11R1.16 CNC[C@H](c1ccccc1)C 1P027VJM [1,1,0,0,0,0|0,0,0]=2 1239 B11R1.16 CNNC(=O)c1ccccc1 1P00AVBP [1,1,0,0,0,0|1,0,1]=4 1240 B11R1.16 COCC(=O)c1ccccc1 1P003I0C [1,1,0,0,0,0|1,0,1]=4 1241 B11R1.16 COCC(c1ccccc1)Br 1P01EM9D [1,1,0,0,0,0|1,0,0]=3 1242 B11R1.16 COCC(c1ccccc1)N 1P00BBXF [1,1,0,0,0,0|1,0,0]=3 1243 B11R1.16 COCC(c1ccccc1)N 1P01A9V2 [1,1,0,0,0,0|1,0,0]=3 1244 B11R1.16 COCC(c1ccccc1)O 1P01EMW6 [1,1,0,0,0,0|1,0,0]=3 1245 B11R1.16 COCC(c1ccccc1)S 1P01DZAM [1,1,0,0,0,0|1,0,0]=3 1246 B11R1.16 COCC(c1ccccn1)N 1P00J267 [1,1,0,0,0,0|2,0,0]=4 1247 B11R1.16 COCC(c1ccccn1)N 1P00J3PD [1,1,0,0,0,0|2,0,0]=4 1248 B11R1.16 COCC(c1ccncc1)N 1P01PNYD [1,1,0,0,0,0|2,0,0]=4 1249 B11R1.16 COC[C@@H](c1ccccc1)N 1P00EG20 [1,1,0,0,0,0|1,0,0]=3 1250 B11R1.16 COC[C@@H](c1ccccc1)N 1P00IBV5 [1,1,0,0,0,0|1,0,0]=3 1251 B11R1.16 COC[C@@H](c1ccccn1)N 1P028NWT [1,1,0,0,0,0|2,0,0]=4 1252 B11R1.16 COC[C@@H](c1cccnc1)N 1P028NCG [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.16 COC[C@H](c1ccccc1)N 1P006PB9 [1,1,0,0,0,0|1,0,0]=3 1254 B11R1.16 COC[C@H](c1ccccc1)N 1P01JX6V [1,1,0,0,0,0|1,0,0]=3 1255 B11R1.16 COC[C@H](c1ccccn1)N 1P01FJSH [1,1,0,0,0,0|2,0,0]=4 1256 B11R1.16 COC[C@H](c1cccnc1)N 1P028NBA [1,1,0,0,0,0|2,0,0]=4 1257 B11R1.16 CSCC(=O)c1ccccc1 1P01A91B [1,1,0,0,0,0|1,0,1]=4 1258 B11R1.16 CSCC(c1ccccc1)N 1P01AK47 [1,1,0,0,0,0|1,0,0]=3 1259 B11R1.16 CSCC(c1ccccc1)N 1P028BW7 [1,1,0,0,0,0|1,0,0]=3 1260 B11R1.16 ClCCC(c1ccccc1)Br 1P00BETV [1,1,0,0,0,0|2,0,0]=4 1261 B11R1.16 ClCCC(c1ccccc1)O 1P000P0F [1,1,0,0,0,0|2,0,0]=4 1262 B11R1.16 ClCC[C@@H](c1ccccc1)O 1P000210 [1,1,0,0,0,0|2,0,0]=4 1263 B11R1.16 ClCC[C@H](c1ccccc1)O 1P000211 [1,1,0,0,0,0|2,0,0]=4 1264 B11R1.16 NC(c1ccccc1)CC#C 1P0091EK [1,1,0,0,0,0|1,0,1]=4 1265 B11R1.16 NC(c1ccccc1)CC#N 1P019ZNM [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.16 NC(c1ccccc1)CC#N 1P01A76R [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.16 NCCC(c1ccccc1)C 1P0075ZN [1,1,0,0,0,0|2,0,0]=4 1268 B11R1.16 NCCC(c1ccccc1)C 1P00J1J3 [1,1,0,0,0,0|2,0,0]=4 1269 B11R1.16 NCCC(c1ccccc1)N 1P01A736 [1,1,0,0,0,0|2,0,0]=4 1270 B11R1.16 NCCC(c1ccccc1)O 1P000FT8 [1,1,0,0,0,0|2,0,0]=4 1271 B11R1.16 NCCC(c1ccccc1)O 1P006YZE [1,1,0,0,0,0|2,0,0]=4 1272 B11R1.16 NCC[C@@H](c1ccccc1)O 1P000UKF [1,1,0,0,0,0|2,0,0]=4 1273 B11R1.16 NCC[C@H](c1ccccc1)O 1P0019XH [1,1,0,0,0,0|2,0,0]=4 1274 B11R1.16 N[C@@H](c1ccccc1)CC#N 1P01AGQM [1,1,0,0,0,0|2,0,0]=4 1275 B11R1.16 O=CCC(c1ccccc1)C 1P001TO2 [1,1,0,0,0,0|2,0,0]=4 1276 B11R1.16 OC(c1ccccc1)CC#C 1P00201G [1,1,0,0,0,0|1,0,1]=4 1277 B11R1.16 OC(c1ccccc1)CC#N 1P007DUP [1,1,0,0,0,0|2,0,0]=4 1278 B11R1.16 OCCC(c1ccccc1)C 1P003KBY [1,1,0,0,0,0|2,0,0]=4 1279 B11R1.16 OCCC(c1ccccc1)N 1P001DZI [1,1,0,0,0,0|2,0,0]=4 1280 B11R1.16 OCCC(c1ccccc1)O 1P00DGFN [1,1,0,0,0,0|2,0,0]=4 1281 B11R1.16 OCC[C@@H](c1ccccc1)N 1P004Y9D [1,1,0,0,0,0|2,0,0]=4 1282 B11R1.16 OCC[C@H](c1ccccc1)N 1P00385E [1,1,0,0,0,0|2,0,0]=4 1283 B11R1.16 O[C@@H](c1ccccc1)CC#N 1P00FWTX [1,1,0,0,0,0|2,0,0]=4 1284 B11R1.16 O[C@H](c1ccccc1)CC#N 1P01EMW1 [1,1,0,0,0,0|2,0,0]=4 1285 B11R1.17 BrCCCc1ccccc1Br 1P01BLHY [1,1,0,0,0,0|2,0,0]=4 1286 B11R1.17 BrCCCc1ccccc1C 1P019ZBO [1,1,0,0,0,0|2,0,0]=4 1287 B11R1.17 BrCCCc1ccccc1Cl 1P00DAUT [1,1,0,0,0,0|2,0,0]=4 1288 B11R1.17 BrCCCc1ccccc1F 1P000ZHO [1,1,0,0,0,0|2,0,0]=4 1289 B11R1.17 BrCCCc1ccccc1O 1P01QLLI [1,1,0,0,0,0|2,0,0]=4 1290 B11R1.17 C=CCCc1ccccc1Br 1P003KFV [1,1,0,0,0,0|1,0,1]=4 1291 B11R1.17 C=CCCc1ccccc1N 1P00ICGJ [1,1,0,0,0,0|1,0,1]=4 1292 B11R1.17 CCCCc1ccccc1N 1P003I8I [1,1,0,0,0,0|1,0,0]=3 1293 B11R1.17 CCCNc1ccccc1F 1P00J619 [1,1,0,0,0,0|2,0,0]=4 1294 B11R1.17 CCCNc1ccccc1N 1P00DO1P [1,1,0,0,0,0|2,0,0]=4 1295 B11R1.17 CCCOc1ccccc1Br 1P01ACEG [1,1,0,0,0,0|2,0,0]=4 1296 B11R1.17 CCCOc1ccccc1F 1P002953 [1,1,0,0,0,0|2,0,0]=4 1297 B11R1.17 CCCOc1ccccc1N 1P003ID7 [1,1,0,0,0,0|2,0,0]=4 1298 B11R1.17 CCCOc1ccccc1N 1P0071Y7 [1,1,0,0,0,0|2,0,0]=4 1299 B11R1.17 CCCOc1ccccc1O 1P00EBPB [1,1,0,0,0,0|2,0,0]=4 1300 B11R1.17 CCCSc1ccccc1Cl 1P01EW2Z [1,1,0,0,0,0|2,0,0]=4 1301 B11R1.17 CCCSc1ccccc1N 1P00J4GQ [1,1,0,0,0,0|2,0,0]=4 1302 B11R1.17 CCNCc1ccccc1Br 1P01B8KE [1,1,0,0,0,0|2,0,0]=4 1303 B11R1.17 CCNCc1ccccc1C 1P00EL3S [1,1,0,0,0,0|2,0,0]=4 1304 B11R1.17 CCNCc1ccccc1C 1P00J2C5 [1,1,0,0,0,0|2,0,0]=4 1305 B11R1.17 CCNCc1ccccc1Cl 1P00EEQM [1,1,0,0,0,0|2,0,0]=4 1306 B11R1.17 CCNCc1ccccc1Cl 1P00J256 [1,1,0,0,0,0|2,0,0]=4 1307 B11R1.17 CCNCc1ccccc1F 1P00EEO8 [1,1,0,0,0,0|2,0,0]=4 1308 B11R1.17 CCNCc1ccccc1F 1P00J27A [1,1,0,0,0,0|2,0,0]=4 1309 B11R1.17 CCNCc1ccccc1N 1P01C4DL [1,1,0,0,0,0|2,0,0]=4 1310 B11R1.17 CCNCc1ccccc1O 1P0094L1 [1,1,0,0,0,0|2,0,0]=4 1311 B11R1.17 CCOCc1ccccc1N 1P019VHZ [1,1,0,0,0,0|2,0,0]=4 1312 B11R1.17 CNCCc1ccccc1Br 1P01BGGG [1,1,0,0,0,0|0,0,0]=2 1313 B11R1.17 CNCCc1ccccc1Br 1P01BGHB [1,1,0,0,0,0|0,0,0]=2 1314 B11R1.17 CNCCc1ccccc1C 1P00G8WN [1,1,0,0,0,0|0,0,0]=2 1315 B11R1.17 CNCCc1ccccc1Cl 1P02841D [1,1,0,0,0,0|0,0,0]=2 1316 B11R1.17 CNCCc1ccccc1F 1P003D7I [1,1,0,0,0,0|0,0,0]=2 1317 B11R1.17 CNCCc1ccccc1O 1P01A6W9 [1,1,0,0,0,0|0,0,0]=2 1318 B11R1.17 COCCc1ccccc1N 1P01B1SZ [1,1,0,0,0,0|1,0,0]=3 1319 B11R1.17 COCCc1ccccc1O 1P00C9JD [1,1,0,0,0,0|1,0,0]=3 1320 B11R1.17 COCOc1ccccc1Br 1P00ICA6 [1,1,0,0,0,0|2,0,0]=4 1321 B11R1.17 COCOc1ccccc1N 1P0046P4 [1,1,0,0,0,0|2,0,0]=4 1322 B11R1.17 CONCc1ccccc1Cl 1P01BCZ0 [1,1,0,0,0,0|2,0,0]=4 1323 B11R1.17 CSCCc1ccccc1N 1P01C0LF [1,1,0,0,0,0|1,0,0]=3 1324 B11R1.17 ClCCCc1ccccc1Br 1P01A6XT [1,1,0,0,0,0|2,0,0]=4 1325 B11R1.17 ClCCCc1ccccc1Cl 1P01A6XJ [1,1,0,0,0,0|2,0,0]=4 1326 B11R1.17 N#CCCc1ccccc1Br 1P00EK1M [1,1,0,0,0,0|2,0,0]=4 1327 B11R1.17 N#CCCc1ccccc1Cl 1P003BQP [1,1,0,0,0,0|2,0,0]=4 1328 B11R1.17 NCCCc1ccccc1Br 1P003IGX [1,1,0,0,0,0|2,0,0]=4 1329 B11R1.17 NCCCc1ccccc1C 1P01A86S [1,1,0,0,0,0|2,0,0]=4 1330 B11R1.17 NCCCc1ccccc1C 1P028ND0 [1,1,0,0,0,0|2,0,0]=4 1331 B11R1.17 NCCCc1ccccc1Cl 1P007SQO [1,1,0,0,0,0|2,0,0]=4 1332 B11R1.17 NCCCc1ccccc1Cl 1P00J3GT [1,1,0,0,0,0|2,0,0]=4 1333 B11R1.17 NCCCc1ccccc1F 1P00J226 [1,1,0,0,0,0|2,0,0]=4 1334 B11R1.17 NCCCc1ccccc1F 1P00J3O4 [1,1,0,0,0,0|2,0,0]=4 1335 B11R1.17 NCCCc1ccccc1N 1P01H9WR [1,1,0,0,0,0|2,0,0]=4 1336 B11R1.17 NCCCc1ccccc1O 1P0293LH [1,1,0,0,0,0|2,0,0]=4 1337 B11R1.17 NNCCc1ccccc1F 1P01A1G0 [1,1,0,0,0,0|1,0,0]=3 1338 B11R1.17 O=CCCc1ccccc1Br 1P007EY4 [1,1,0,0,0,0|2,0,0]=4 1339 B11R1.17 O=CCCc1ccccc1Cl 1P001PX4 [1,1,0,0,0,0|2,0,0]=4 1340 B11R1.17 O=CCCc1ccccc1F 1P0020TU [1,1,0,0,0,0|2,0,0]=4 1341 B11R1.17 OCCCc1ccccc1Br 1P003IH2 [1,1,0,0,0,0|2,0,0]=4 1342 B11R1.17 OCCCc1ccccc1C 1P00AKMS [1,1,0,0,0,0|2,0,0]=4 1343 B11R1.17 OCCCc1ccccc1Cl 1P00EG6L [1,1,0,0,0,0|2,0,0]=4 1344 B11R1.17 OCCCc1ccccc1F 1P008PWR [1,1,0,0,0,0|2,0,0]=4 1345 B11R1.17 OCCCc1ccccc1N 1P00ELQ8 [1,1,0,0,0,0|2,0,0]=4 1346 B11R1.17 OCCCc1ccccc1N 1P01WU2M [1,1,0,0,0,0|2,0,0]=4 1347 B11R1.24 BrCCCc1cccc(c1)Br 1P01BLCH [1,1,0,0,0,0|2,0,0]=4 1348 B11R1.24 BrCCCc1cccc(c1)C 1P01A5L7 [1,1,0,0,0,0|2,0,0]=4 1349 B11R1.24 BrCCCc1cccc(c1)Cl 1P006RIG [1,1,0,0,0,0|2,0,0]=4 1350 B11R1.24 BrCCCc1cccc(c1)F 1P00HYVW [1,1,0,0,0,0|2,0,0]=4 1351 B11R1.24 C=CCCc1cccc(c1)Br 1P001SOX [1,1,0,0,0,0|1,0,1]=4 1352 B11R1.24 C=CCCc1cccc(c1)Cl 1P00GW9B [1,1,0,0,0,0|1,0,1]=4 1353 B11R1.24 C=CCCc1cccc(c1)O 1P028OEQ [1,1,0,0,0,0|1,0,1]=4 1354 B11R1.24 CCCC[n+]1cccc(c1)C 1P000OQM [1,1,0,0,0,0|2,0,0]=4 1355 B11R1.24 CCCC[n+]1cccc(c1)C 1P002U7S [1,1,0,0,0,0|2,0,0]=4 1356 B11R1.24 CCCC[n+]1cccc(c1)C 1P003F0P [1,1,0,0,0,0|2,0,0]=4 1357 B11R1.24 CCCC[n+]1cccc(c1)C 1P003TBO [1,1,0,0,0,0|2,0,0]=4 1358 B11R1.24 CCCC[n+]1cccc(c1)C 1P006AIC [1,1,0,0,0,0|2,0,0]=4 1359 B11R1.24 CCCCc1cc(Br)ccn1 1P028SE8 [1,1,0,0,0,0|2,0,0]=4 1360 B11R1.24 CCCCc1cccc(c1)Br 1P00IA9J [1,1,0,0,0,0|1,0,0]=3 1361 B11R1.24 CCCCc1cccc(c1)F 1P007R6O [1,1,0,0,0,0|1,0,0]=3 1362 B11R1.24 CCCCc1cccc(c1)I 1P01FG1G [1,1,0,0,0,0|1,0,0]=3 1363 B11R1.24 CCCCc1cccc(c1)N 1P00E17Q [1,1,0,0,0,0|1,0,0]=3 1364 B11R1.24 CCCCc1cccc(n1)F 1P01EXUY [1,1,0,0,0,0|2,0,0]=4 1365 B11R1.24 CCCCc1cccc(n1)N 1P00IJG7 [1,1,0,0,0,0|2,0,0]=4 1366 B11R1.24 CCCNc1cccc(c1)N 1P001OFW [1,1,0,0,0,0|2,0,0]=4 1367 B11R1.24 CCCOc1cccc(c1)Br 1P00AXCY [1,1,0,0,0,0|2,0,0]=4 1368 B11R1.24 CCCOc1cccc(c1)I 1P01BV92 [1,1,0,0,0,0|2,0,0]=4 1369 B11R1.24 CCCOc1cccc(c1)N 1P00E08Z [1,1,0,0,0,0|2,0,0]=4 1370 B11R1.24 CCCOc1cccc(c1)O 1P001WKO [1,1,0,0,0,0|2,0,0]=4 1371 B11R1.24 CCCSc1cccc(c1)Cl 1P00HZZX [1,1,0,0,0,0|2,0,0]=4 1372 B11R1.24 CCCSc1cccc(c1)N 1P01SYJ2 [1,1,0,0,0,0|2,0,0]=4 1373 B11R1.24 CCNCc1cccc(c1)Br 1P003TGE [1,1,0,0,0,0|2,0,0]=4 1374 B11R1.24 CCNCc1cccc(c1)Br 1P00J289 [1,1,0,0,0,0|2,0,0]=4 1375 B11R1.24 CCNCc1cccc(c1)C 1P019M65 [1,1,0,0,0,0|2,0,0]=4 1376 B11R1.24 CCNCc1cccc(c1)C 1P028BRI [1,1,0,0,0,0|2,0,0]=4 1377 B11R1.24 CCNCc1cccc(c1)Cl 1P00CM77 [1,1,0,0,0,0|2,0,0]=4 1378 B11R1.24 CCNCc1cccc(c1)Cl 1P01DEFU [1,1,0,0,0,0|2,0,0]=4 1379 B11R1.24 CCNCc1cccc(c1)F 1P003TGG [1,1,0,0,0,0|2,0,0]=4 1380 B11R1.24 CCNCc1cccc(c1)F 1P01OSH9 [1,1,0,0,0,0|2,0,0]=4 1381 B11R1.24 CCNCc1cccc(c1)O 1P003J8B [1,1,0,0,0,0|2,0,0]=4 1382 B11R1.24 CCOCc1cccc(c1)Br 1P01DM58 [1,1,0,0,0,0|2,0,0]=4 1383 B11R1.24 CCOCc1cccc(c1)N 1P01A9Y1 [1,1,0,0,0,0|2,0,0]=4 1384 B11R1.24 CCSCc1cccc(c1)N 1P01ALCJ [1,1,0,0,0,0|2,0,0]=4 1385 B11R1.24 CNCCc1cccc(c1)Br 1P00GNFN [1,1,0,0,0,0|0,0,0]=2 1386 B11R1.24 CNCCc1cccc(c1)Br 1P01BCD0 [1,1,0,0,0,0|0,0,0]=2 1387 B11R1.24 CNCCc1cccc(c1)C 1P00139J [1,1,0,0,0,0|0,0,0]=2 1388 B11R1.24 CNCCc1cccc(c1)Cl 1P003TNB [1,1,0,0,0,0|0,0,0]=2 1389 B11R1.24 CNCCc1cccc(c1)Cl 1P028CMS [1,1,0,0,0,0|0,0,0]=2 1390 B11R1.24 CNCCc1cccc(c1)F 1P003TMU [1,1,0,0,0,0|0,0,0]=2 1391 B11R1.24 CNCCc1cccc(c1)F 1P01RLER [1,1,0,0,0,0|0,0,0]=2 1392 B11R1.24 CNCCc1cccc(c1)O 1P01HQPB [1,1,0,0,0,0|0,0,0]=2 1393 B11R1.24 CNCCc1nccc(n1)O 1P01FIAX [1,1,0,0,0,0|2,0,0]=4 1394 B11R1.24 COCCc1cccc(c1)O 1P00CA9F [1,1,0,0,0,0|1,0,0]=3 1395 B11R1.24 COCCc1ccnc(c1)N 1P01BAX6 [1,1,0,0,0,0|2,0,0]=4 1396 B11R1.24 COCCc1nccc(c1)C 1P01EYEK [1,1,0,0,0,0|2,0,0]=4 1397 B11R1.24 COCOc1cccc(c1)Br 1P00CLTD [1,1,0,0,0,0|2,0,0]=4 1398 B11R1.24 COCOc1cccc(c1)F 1P000WW8 [1,1,0,0,0,0|2,0,0]=4 1399 B11R1.24 COCOc1cccc(c1)N 1P00IKB7 [1,1,0,0,0,0|2,0,0]=4 1400 B11R1.24 N#CCCc1cccc(c1)Br 1P00C9E9 [1,1,0,0,0,0|2,0,0]=4 1401 B11R1.24 N#CCCc1cccc(c1)Cl 1P0070VD [1,1,0,0,0,0|2,0,0]=4 1402 B11R1.24 N#CCCc1cccc(c1)F 1P00BDNP [1,1,0,0,0,0|2,0,0]=4 1403 B11R1.24 NCCCc1cccc(c1)Br 1P0020BX [1,1,0,0,0,0|2,0,0]=4 1404 B11R1.24 NCCCc1cccc(c1)Br 1P01AHCD [1,1,0,0,0,0|2,0,0]=4 1405 B11R1.24 NCCCc1cccc(c1)C 1P007Y00 [1,1,0,0,0,0|2,0,0]=4 1406 B11R1.24 NCCCc1cccc(c1)C 1P028WZW [1,1,0,0,0,0|2,0,0]=4 1407 B11R1.24 NCCCc1cccc(c1)Cl 1P00APQT [1,1,0,0,0,0|2,0,0]=4 1408 B11R1.24 NCCCc1cccc(c1)Cl 1P01A872 [1,1,0,0,0,0|2,0,0]=4 1409 B11R1.24 NCCCc1cccc(c1)F 1P00923E [1,1,0,0,0,0|2,0,0]=4 1410 B11R1.24 NCCCc1cccc(c1)F 1P00J227 [1,1,0,0,0,0|2,0,0]=4 1411 B11R1.24 NCCCc1cccc(c1)N 1P00CPDL [1,1,0,0,0,0|2,0,0]=4 1412 B11R1.24 NCCCc1cccc(c1)O 1P00VTXV [1,1,0,0,0,0|2,0,0]=4 1413 B11R1.24 NCCCc1cccc(c1)O 1P01BFC0 [1,1,0,0,0,0|2,0,0]=4 1414 B11R1.24 O=CCCc1cccc(c1)Br 1P002L1M [1,1,0,0,0,0|2,0,0]=4 1415 B11R1.24 O=CCCc1cccc(c1)Cl 1P0012BU [1,1,0,0,0,0|2,0,0]=4 1416 B11R1.24 O=CCCc1cccc(c1)F 1P002OU3 [1,1,0,0,0,0|2,0,0]=4 1417 B11R1.24 OCCCc1cccc(c1)Br 1P00EC4F [1,1,0,0,0,0|2,0,0]=4 1418 B11R1.24 OCCCc1cccc(c1)C 1P007U5X [1,1,0,0,0,0|2,0,0]=4 1419 B11R1.24 OCCCc1cccc(c1)Cl 1P002M9V [1,1,0,0,0,0|2,0,0]=4 1420 B11R1.24 OCCCc1cccc(c1)F 1P001PIS [1,1,0,0,0,0|2,0,0]=4 1421 B11R1.24 OCCCc1cccc(c1)N 1P00DK0P [1,1,0,0,0,0|2,0,0]=4 1422 B11R1.24 OCCCc1cccc(c1)O 1P007LKL [1,1,0,0,0,0|2,0,0]=4 1423 B11R1.24 [C-]#[N+]CCc1cccc(c1)F 1P005YP6 [1,1,0,0,0,0|0,0,2]=4 1424 B11R1.28 BrCCCCc1ccccc1 1P001243 [1,1,0,0,0,0|1,0,0]=3 1425 B11R1.28 BrCCCOc1ccccc1 1P003KBT [1,1,0,0,0,0|2,0,0]=4 1426 B11R1.28 BrCCOCc1ccccc1 1P001E9R [1,1,0,0,0,0|2,0,0]=4 1427 B11R1.28 BrCCSCc1ccccc1 1P01AMPW [1,1,0,0,0,0|2,0,0]=4 1428 B11R1.28 C#CCCOc1ccccc1 1P001P0F [1,1,0,0,0,0|1,0,1]=4 1429 B11R1.28 C#CCNCc1ccccc1 1P000PYH [1,1,0,0,0,0|1,0,1]=4 1430 B11R1.28 C#CCNCc1ccccc1 1P00J1E3 [1,1,0,0,0,0|1,0,1]=4 1431 B11R1.28 C#CCOCc1ccccc1 1P0038C3 [1,1,0,0,0,0|1,0,1]=4 1432 B11R1.28 C=CCNCc1ccccc1 1P002O21 [1,1,0,0,0,0|1,0,1]=4 1433 B11R1.28 C=CCNCc1ccccc1 1P003T6B [1,1,0,0,0,0|1,0,1]=4 1434 B11R1.28 C=CCOCc1ccccc1 1P001DZF [1,1,0,0,0,0|1,0,1]=4 1435 B11R1.28 CC#CCOc1ccccc1 1P0071UP [1,1,0,0,0,0|1,0,1]=4 1436 B11R1.28 CCCC#Cc1ccccc1 1P00242B [1,1,0,0,0,0|1,0,1]=4 1437 B11R1.28 CCCCCc1ccccc1 1P003F3E [1,1,0,0,0,0|1,0,0]=3 1438 B11R1.28 CCCCCc1ccccn1 1P002M24 [1,1,0,0,0,0|2,0,0]=4 1439 B11R1.28 CCCCCc1cccnc1 1P00228X [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.28 CCCCCc1ccncc1 1P002ZCV [1,1,0,0,0,0|2,0,0]=4 1441 B11R1.28 CCCCNc1ccccc1 1P0035TY [1,1,0,0,0,0|1,0,0]=3 1442 B11R1.28 CCCCNc1ccccn1 1P00CKOP [1,1,0,0,0,0|2,0,0]=4 1443 B11R1.28 CCCCNc1cccnc1 1P01BVMQ [1,1,0,0,0,0|2,0,0]=4 1444 B11R1.28 CCCCNc1ccncc1 1P00D2IH [1,1,0,0,0,0|2,0,0]=4 1445 B11R1.28 CCCCOc1ccccc1 1P003P21 [1,1,0,0,0,0|1,0,0]=3 1446 B11R1.28 CCCCOc1ccccn1 1P003I8F [1,1,0,0,0,0|2,0,0]=4 1447 B11R1.28 CCCCSc1ccccc1 1P0079TG [1,1,0,0,0,0|1,0,0]=3 1448 B11R1.28 CCCNCc1ccccc1 1P00296T [1,1,0,0,0,0|1,0,0]=3 1449 B11R1.28 CCCNCc1ccccn1 1P006V7Q [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.28 CCCNCc1ccccn1 1P00JTXU [1,1,0,0,0,0|2,0,0]=4 1451 B11R1.28 CCCNCc1cccnc1 1P002B71 [1,1,0,0,0,0|2,0,0]=4 1452 B11R1.28 CCCNCc1cccnc1 1P0288SO [1,1,0,0,0,0|2,0,0]=4 1453 B11R1.28 CCCNCc1ccncc1 1P00654U [1,1,0,0,0,0|2,0,0]=4 1454 B11R1.28 CCCNCc1ccncc1 1P00JTXY [1,1,0,0,0,0|2,0,0]=4 1455 B11R1.28 CCC\C=C\c1ccccc1 1P001S3B [1,1,0,0,0,0|1,0,1]=4 1456 B11R1.28 CCNCCc1ccccc1 1P00ELT2 [1,1,0,0,0,0|0,0,0]=2 1457 B11R1.28 CCNCCc1ccccc1 1P019M64 [1,1,0,0,0,0|0,0,0]=2 1458 B11R1.28 CCNCCc1ccccn1 1P003THI [1,1,0,0,0,0|1,0,0]=3 1459 B11R1.28 CCNOCc1ccccc1 1P002G3E [1,1,0,0,0,0|1,0,0]=3 1460 B11R1.28 CCOCCc1ccccc1 1P00AP6J [1,1,0,0,0,0|1,0,0]=3 1461 B11R1.28 CCOCCc1ccccn1 1P002WIS [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.28 CCONCc1ccccc1 1P01C29H [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.28 CNCC#Cc1ccccc1 1P029306 [1,1,0,0,0,0|0,0,1]=3 1464 B11R1.28 CNCCCc1ccccc1 1P002O7F [1,1,0,0,0,0|0,0,0]=2 1465 B11R1.28 CNCCCc1ccccn1 1P001OQK [1,1,0,0,0,0|1,0,0]=3 1466 B11R1.28 CNCCNc1ccccn1 1P01DZOL [1,1,0,0,0,0|1,0,0]=3 1467 B11R1.28 CNCCOc1ccccc1 1P003TN4 [1,1,0,0,0,0|0,0,0]=2 1468 B11R1.28 CNC\C=C\c1ccccc1 1P0035UW [1,1,0,0,0,0|0,0,1]=3 1469 B11R1.28 COCCNc1ccccc1 1P01C1WU [1,1,0,0,0,0|1,0,0]=3 1470 B11R1.28 COCCNc1ccccn1 1P01FW0L [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.28 COCCNc1ccncc1 1P01AIKA [1,1,0,0,0,0|2,0,0]=4 1472 B11R1.28 COCCOc1ccccc1 1P00D7EK [1,1,0,0,0,0|1,0,0]=3 1473 B11R1.28 COCCOc1cccnc1 1P024HEX [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.28 COCCSc1ccccc1 1P003I0V [1,1,0,0,0,0|1,0,0]=3 1475 B11R1.28 ClCC#CCc1ccccc1 1P01DWT8 [1,1,0,0,0,0|1,0,1]=4 1476 B11R1.28 ClCCCCc1ccccc1 1P003EOX [1,1,0,0,0,0|1,0,0]=3 1477 B11R1.28 ClCCCCc1ccncc1 1P001M6V [1,1,0,0,0,0|2,0,0]=4 1478 B11R1.28 ClCCCCc1ccncc1 1P003KJL [1,1,0,0,0,0|2,0,0]=4 1479 B11R1.28 ClCCCOc1ccccc1 1P00CO1R [1,1,0,0,0,0|2,0,0]=4 1480 B11R1.28 ClCCNCc1ccccc1 1P00EA7Z [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.28 ClCCOCc1ccccc1 1P003OK8 [1,1,0,0,0,0|2,0,0]=4 1482 B11R1.28 ClCCSCc1ccccc1 1P00DGAK [1,1,0,0,0,0|2,0,0]=4 1483 B11R1.28 FCCNCc1ccccc1 1P027TSS [1,1,0,0,0,0|2,0,0]=4 1484 B11R1.28 ICCCCc1ccccc1 1P01J3BS [1,1,0,0,0,0|1,0,0]=3 1485 B11R1.28 ICCOCc1ccccc1 1P003EH4 [1,1,0,0,0,0|2,0,0]=4 1486 B11R1.28 N#CCCCc1ccccc1 1P002A2B [1,1,0,0,0,0|1,0,1]=4 1487 B11R1.28 N#CCCNc1ccccc1 1P0038H2 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.28 N#CCCOc1ccccc1 1P0030ZW [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.28 N#CCNCc1ccccc1 1P00BJRT [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.28 N#CCOCc1ccccc1 1P0080MM [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.28 N#CCSCc1ccccc1 1P001ZN8 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.28 NCCCCc1ccccc1 1P0010R7 [1,1,0,0,0,0|1,0,0]=3 1493 B11R1.28 NCCCCc1ccccc1 1P00C3J1 [1,1,0,0,0,0|1,0,0]=3 1494 B11R1.28 NCCCCc1ccccn1 1P00C6I4 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.28 NCCCCc1cccnc1 1P00G66Q [1,1,0,0,0,0|2,0,0]=4 1496 B11R1.28 NCCCCc1ccncc1 1P0286VO [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.28 NCCCNc1ccccc1 1P00DLVB [1,1,0,0,0,0|2,0,0]=4 1498 B11R1.28 NCCCOc1ccccc1 1P008OQY [1,1,0,0,0,0|2,0,0]=4 1499 B11R1.28 NCCCOc1ccccc1 1P00G5UX [1,1,0,0,0,0|2,0,0]=4 1500 B11R1.28 NCCCSc1ccccc1 1P002DXM [1,1,0,0,0,0|2,0,0]=4 1501 B11R1.28 NCCCSc1ccccc1 1P00G4KQ [1,1,0,0,0,0|2,0,0]=4 1502 B11R1.28 NCCNCc1ccccc1 1P003T8D [1,1,0,0,0,0|2,0,0]=4 1503 B11R1.28 NCCOCc1ccccc1 1P00381B [1,1,0,0,0,0|2,0,0]=4 1504 B11R1.28 NCCOCc1ccccc1 1P003H25 [1,1,0,0,0,0|2,0,0]=4 1505 B11R1.28 NCCSCc1ccccc1 1P003UO3 [1,1,0,0,0,0|2,0,0]=4 1506 B11R1.28 NCCSCc1ccccc1 1P008VQA [1,1,0,0,0,0|2,0,0]=4 1507 B11R1.28 NNCCCc1ccccc1 1P01ABBG [1,1,0,0,0,0|1,0,0]=3 1508 B11R1.28 NNCCOc1ccccc1 1P00D6O2 [1,1,0,0,0,0|1,0,0]=3 1509 B11R1.28 NOCCOc1ccccc1 1P00FWZA [1,1,0,0,0,0|2,0,0]=4 1510 B11R1.28 O=C=NCCc1ccccc1 1P003C49 [1,1,0,0,0,0|0,0,2]=4 1511 B11R1.28 O=CCCCc1ccccc1 1P0027XM [1,1,0,0,0,0|1,0,1]=4 1512 B11R1.28 O=CCCOc1ccccc1 1P01FTPQ [1,1,0,0,0,0|2,0,0]=4 1513 B11R1.28 O=CCOCc1ccccc1 1P0036FA [1,1,0,0,0,0|2,0,0]=4 1514 B11R1.28 O=CCSCc1ccccc1 1P005AIQ [1,1,0,0,0,0|2,0,0]=4 1515 B11R1.28 O=CNCCc1ccccc1 1P002ML7 [1,1,0,0,0,0|0,0,1]=3 1516 B11R1.28 O=COCCc1ccccc1 1P003U4Q [1,1,0,0,0,0|1,0,1]=4 1517 B11R1.28 OCCCCc1ccccc1 1P0034LL [1,1,0,0,0,0|1,0,0]=3 1518 B11R1.28 OCCCCc1ccccn1 1P0027H1 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.28 OCCCCc1cccnc1 1P003KI6 [1,1,0,0,0,0|2,0,0]=4 1520 B11R1.28 OCCCCc1ccncc1 1P00349S [1,1,0,0,0,0|2,0,0]=4 1521 B11R1.28 OCCCOc1ccccc1 1P00IBDS [1,1,0,0,0,0|2,0,0]=4 1522 B11R1.28 OCCCSc1ccccc1 1P00BKA5 [1,1,0,0,0,0|2,0,0]=4 1523 B11R1.28 OCCNCc1ccccc1 1P0035SZ [1,1,0,0,0,0|2,0,0]=4 1524 B11R1.28 OCCOCc1ccccc1 1P003A8A [1,1,0,0,0,0|2,0,0]=4 1525 B11R1.28 OCCOCc1ccccc1 1P01GJYO [1,1,0,0,0,0|2,0,0]=4 1526 B11R1.28 OCCSCc1ccccc1 1P00BY6S [1,1,0,0,0,0|2,0,0]=4 1527 B11R1.28 S=C=NCCc1ccccc1 1P003IC3 [1,1,0,0,0,0|0,0,2]=4 1528 B11R1.28 SCCCCc1ccccc1 1P01ADO5 [1,1,0,0,0,0|1,0,0]=3 1529 B11R1.28 SCCCOc1ccccc1 1P01A89E [1,1,0,0,0,0|2,0,0]=4 1530 B11R1.28 [N-]=[N+]=NCCc1ccccc1 1P005SFL [1,1,0,0,0,0|1,0,1]=4 1531 B11R1.91 CC(=C)COc1ccccc1 1P003RYC [1,1,0,0,0,0|2,0,0]=4 1532 B11R1.91 CC(=CCc1ccccc1)C 1P0071P0 [1,1,0,0,0,0|1,0,1]=4 1533 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [1,1,0,0,0,0|1,0,0]=3 1535 B11R1.91 CC(=O)CCc1ccccn1 1P00591V [1,1,0,0,0,0|2,0,0]=4 1536 B11R1.91 CC(=O)CCc1cccnc1 1P01BTZ4 [1,1,0,0,0,0|2,0,0]=4 1537 B11R1.91 CC(=O)CCc1ccncc1 1P01FJT3 [1,1,0,0,0,0|2,0,0]=4 1538 B11R1.91 CC(=O)COc1ccccc1 1P003U54 [1,1,0,0,0,0|2,0,0]=4 1539 B11R1.91 CC(=O)CSc1ccccc1 1P006UAN [1,1,0,0,0,0|2,0,0]=4 1540 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [1,1,0,0,0,0|2,0,0]=4 1541 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [1,1,0,0,0,0|2,0,0]=4 1542 B11R1.91 CC(=O)SCc1ccccc1 1P00C8DO [1,1,0,0,0,0|2,0,0]=4 1543 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [1,1,0,0,0,0|1,0,0]=3 1544 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [1,1,0,0,0,0|1,0,0]=3 1545 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [1,1,0,0,0,0|1,0,0]=3 1546 B11R1.91 CC(CCc1ccccn1)N 1P028K2L [1,1,0,0,0,0|2,0,0]=4 1547 B11R1.91 CC(CCc1ccccn1)O 1P01EMUJ [1,1,0,0,0,0|2,0,0]=4 1548 B11R1.91 CC(CCc1cccnc1)N 1P01ZZDK [1,1,0,0,0,0|2,0,0]=4 1549 B11R1.91 CC(CNc1ccccc1)C 1P01BBFJ [1,1,0,0,0,0|2,0,0]=4 1550 B11R1.91 CC(CNc1ccccc1)N 1P01AHZV [1,1,0,0,0,0|2,0,0]=4 1551 B11R1.91 CC(CNc1ccccc1)O 1P01A8L3 [1,1,0,0,0,0|2,0,0]=4 1552 B11R1.91 CC(COc1ccccc1)Cl 1P003F26 [1,1,0,0,0,0|2,0,0]=4 1553 B11R1.91 CC(COc1ccccc1)N 1P00B4N7 [1,1,0,0,0,0|2,0,0]=4 1554 B11R1.91 CC(COc1ccccc1)N 1P00CASM [1,1,0,0,0,0|2,0,0]=4 1555 B11R1.91 CC(COc1ccccc1)O 1P003BIN [1,1,0,0,0,0|2,0,0]=4 1556 B11R1.91 CC(CSc1ccccc1)N 1P01ASU9 [1,1,0,0,0,0|2,0,0]=4 1557 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [1,1,0,0,0,0|2,0,0]=4 1558 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [1,1,0,0,0,0|2,0,0]=4 1559 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [1,1,0,0,0,0|2,0,0]=4 1560 B11R1.91 CN(C=Nc1ccccc1)C 1P0026DM [1,1,0,0,0,0|1,0,1]=4 1561 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [1,1,0,0,0,0|0,0,0]=2 1562 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [1,1,0,0,0,0|0,0,0]=2 1563 B11R1.91 CN(CCc1ccccn1)C 1P003F88 [1,1,0,0,0,0|1,0,0]=3 1564 B11R1.91 CN(NCc1ccccc1)C 1P005L63 [1,1,0,0,0,0|1,0,0]=3 1565 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [1,1,0,0,0,0|1,0,0]=3 1566 B11R1.91 C[C@@H](COc1ccccc1)N 1P028UI7 [1,1,0,0,0,0|2,0,0]=4 1567 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [1,1,0,0,0,0|1,0,0]=3 1568 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [1,1,0,0,0,0|1,0,0]=3 1569 B11R1.91 C[C@H](COc1ccccc1)N 1P028USB [1,1,0,0,0,0|2,0,0]=4 1570 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [1,1,0,0,0,0|2,0,0]=4 1571 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [1,1,0,0,0,0|2,0,0]=4 1572 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.91 OB(CCc1ccccc1)O 1P0035XH [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [1,1,0,0,0,0|1,0,1]=4 1579 B11R1.20 CC(=O)Cc1ccc(cc1)C 1P002KSA [1,1,0,0,0,0|1,0,1]=4 1580 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1P003LOO [1,1,0,0,0,0|1,0,1]=4 1581 B11R1.20 CC(=O)Cc1ccc(cc1)F 1P003LWP [1,1,0,0,0,0|1,0,1]=4 1582 B11R1.20 CC(=O)Cc1ccc(cc1)O 1P003M0E [1,1,0,0,0,0|1,0,1]=4 1583 B11R1.20 CC(Cc1ccc(cc1)Br)C 1P002ACM [1,1,0,0,0,0|0,0,0]=2 1584 B11R1.20 CC(Cc1ccc(cc1)F)Br 1P01DXNU [1,1,0,0,0,0|1,0,0]=3 1585 B11R1.20 CC(Cc1ccc(cc1)F)O 1P00DO4L [1,1,0,0,0,0|1,0,0]=3 1586 B11R1.20 CC(Cc1ccc(cc1)I)N 1P007PB0 [1,1,0,0,0,0|0,0,0]=2 1587 B11R1.20 CC(Cc1ccc(cc1)N)C 1P00BGLP [1,1,0,0,0,0|0,0,0]=2 1588 B11R1.20 CC(Cc1ccc(cc1)N)C 1P01A1S9 [1,1,0,0,0,0|0,0,0]=2 1589 B11R1.20 CC(Cc1ccc(cc1)O)C 1P00C74Z [1,1,0,0,0,0|0,0,0]=2 1590 B11R1.20 CC(Cc1ccc(cc1)O)N 1P01G8YJ [1,1,0,0,0,0|0,0,0]=2 1591 B11R1.20 CC(Cc1ccc(cc1)O)O 1P028VHS [1,1,0,0,0,0|1,0,0]=3 1592 B11R1.20 CC(Cc1ccc(cn1)Br)C 1P01AML6 [1,1,0,0,0,0|1,0,0]=3 1593 B11R1.20 CC(Cc1ncc(cn1)N)C 1P01BGXL [1,1,0,0,0,0|2,0,0]=4 1594 B11R1.20 CC(Nc1ccc(cc1)Br)C 1P008TM4 [1,1,0,0,0,0|1,0,0]=3 1595 B11R1.20 CC(Nc1ccc(cc1)Br)C 1P00J48C [1,1,0,0,0,0|1,0,0]=3 1596 B11R1.20 CC(Nc1ccc(cc1)C)C 1P01A96B [1,1,0,0,0,0|1,0,0]=3 1597 B11R1.20 CC(Nc1ccc(cc1)Cl)C 1P008ONV [1,1,0,0,0,0|1,0,0]=3 1598 B11R1.20 CC(Nc1ccc(cc1)Cl)C 1P01A9H7 [1,1,0,0,0,0|1,0,0]=3 1599 B11R1.20 CC(Nc1ccc(cc1)F)C 1P00FAAU [1,1,0,0,0,0|1,0,0]=3 1600 B11R1.20 CC(Nc1ccc(cn1)Br)C 1P00DJKD [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.20 CC(Nc1ccc(cn1)N)C 1P019XVJ [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.20 CC(Oc1ccc(cc1)Br)C 1P0069DE [1,1,0,0,0,0|1,0,0]=3 1603 B11R1.20 CC(Oc1ccc(cc1)F)C 1P00DKL4 [1,1,0,0,0,0|1,0,0]=3 1604 B11R1.20 CC(Oc1ccc(cc1)I)C 1P009WM4 [1,1,0,0,0,0|1,0,0]=3 1605 B11R1.20 CC(Oc1ccc(cc1)N)C 1P0036ZG [1,1,0,0,0,0|1,0,0]=3 1606 B11R1.20 CC(Oc1ccc(cc1)N)C 1P00BIXU [1,1,0,0,0,0|1,0,0]=3 1607 B11R1.20 CC(Oc1ccc(cc1)O)C 1P00ID1L [1,1,0,0,0,0|1,0,0]=3 1608 B11R1.20 CC(Oc1ccc(cn1)Br)C 1P008E69 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.20 CC(Oc1ccc(cn1)C)C 1P00HW2W [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.20 CC(Oc1ccc(cn1)Cl)C 1P00I5RW [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.20 CC(Oc1ccc(cn1)N)C 1P00DC2Q [1,1,0,0,0,0|2,0,0]=4 1612 B11R1.20 CC(Oc1ccc(cn1)O)C 1P00H50E [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.20 CC(Oc1ccc(nc1)Br)C 1P00IE8S [1,1,0,0,0,0|2,0,0]=4 1614 B11R1.20 CC(Oc1ccc(nc1)Cl)C 1P009747 [1,1,0,0,0,0|2,0,0]=4 1615 B11R1.20 CC(Sc1ccc(cc1)Br)C 1P005JZI [1,1,0,0,0,0|1,0,0]=3 1616 B11R1.20 CC(Sc1ccc(cc1)Cl)C 1P005DS2 [1,1,0,0,0,0|1,0,0]=3 1617 B11R1.20 CN(Cc1ccc(cc1)Br)C 1P00IBJG [1,1,0,0,0,0|1,0,0]=3 1618 B11R1.20 CN(Cc1ccc(cc1)N)C 1P0034A0 [1,1,0,0,0,0|1,0,0]=3 1619 B11R1.20 CN(Cc1ccc(cn1)Br)C 1P00ILFH [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.20 CN(Cc1ccc(nc1)Br)C 1P00FGLY [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.20 CN(Cc1ccc(nc1)Cl)C 1P00C2E0 [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.20 CN(Cc1ccc(nc1)Cl)C 1P027WKO [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.20 CN(Cc1ccc(nc1)N)C 1P000Q1D [1,1,0,0,0,0|2,0,0]=4 1624 B11R1.20 CN(Cc1ccc(nc1)N)C 1P019ZJB [1,1,0,0,0,0|2,0,0]=4 1625 B11R1.20 FC(Cc1ccc(cc1)Br)F 1P01ELKO [1,1,0,0,0,0|2,0,0]=4 1626 B11R1.20 FC(Cc1ccc(cc1)O)F 1P01EN6H [1,1,0,0,0,0|2,0,0]=4 1627 B11R1.20 NC(=N)Cc1ccc(cc1)Br 1P00ER80 [1,1,0,0,0,0|1,0,1]=4 1628 B11R1.20 NC(=N)Cc1ccc(cc1)C 1P00JTEG [1,1,0,0,0,0|1,0,1]=4 1629 B11R1.20 NC(=O)Cc1ccc(cc1)Br 1P0059AH [1,1,0,0,0,0|1,0,1]=4 1630 B11R1.20 NC(=O)Cc1ccc(cc1)Cl 1P00BJHH [1,1,0,0,0,0|1,0,1]=4 1631 B11R1.20 NC(=O)Cc1ccc(cc1)F 1P01AARD [1,1,0,0,0,0|1,0,1]=4 1632 B11R1.20 NC(=O)Cc1ccc(cc1)N 1P00FJU0 [1,1,0,0,0,0|1,0,1]=4 1633 B11R1.20 NC(=O)Cc1ccc(cc1)O 1P003M0D [1,1,0,0,0,0|1,0,1]=4 1634 B11R1.20 NC(=S)Cc1ccc(cc1)Cl 1P0020UH [1,1,0,0,0,0|1,0,1]=4 1635 B11R1.20 NC(=S)Cc1ccc(cc1)F 1P00I7F0 [1,1,0,0,0,0|1,0,1]=4 1636 B11R1.20 NC(=S)Cc1ccc(cc1)N 1P01L083 [1,1,0,0,0,0|1,0,1]=4 1637 B11R1.36 BrC(c1ccccc1)C(=O)C 1P002MCS [1,1,0,0,0,0|1,0,1]=4 1638 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [1,1,0,0,0,0|0,0,0]=2 1639 B11R1.36 BrC(c1ccccc1)C(F)F 1P01EM7U [1,1,0,0,0,0|2,0,0]=4 1640 B11R1.36 CC(=C(C)C)c1ccccc1 1P005FQH [1,1,0,0,0,0|0,0,2]=4 1641 B11R1.36 CC(C(=C)c1ccccc1)C 1P0020JF [1,1,0,0,0,0|0,0,1]=3 1642 B11R1.36 CC(C(=O)c1ccccc1)Br 1P002LSU [1,1,0,0,0,0|1,0,1]=4 1643 B11R1.36 CC(C(=O)c1ccccc1)C 1P003RK4 [1,1,0,0,0,0|0,0,1]=3 1644 B11R1.36 CC(C(=O)c1ccccc1)Cl 1P003HK2 [1,1,0,0,0,0|1,0,1]=4 1645 B11R1.36 CC(C(=O)c1ccccc1)O 1P00381W [1,1,0,0,0,0|1,0,1]=4 1646 B11R1.36 CC(C(=O)c1ccccc1)S 1P0014KR [1,1,0,0,0,0|1,0,1]=4 1647 B11R1.36 CC(C(=O)c1ccccn1)C 1P003RL9 [1,1,0,0,0,0|1,0,1]=4 1648 B11R1.36 CC(C(=O)c1cccnc1)C 1P00DDEN [1,1,0,0,0,0|1,0,1]=4 1649 B11R1.36 CC(C(=O)c1ccncc1)C 1P018SQB [1,1,0,0,0,0|1,0,1]=4 1650 B11R1.36 CC(C(c1ccccn1)C)C 1P01EW46 [1,1,0,0,0,0|1,0,0]=3 1651 B11R1.36 CC(C(c1ccccn1)N)C 1P003I1G [1,1,0,0,0,0|1,0,0]=3 1652 B11R1.36 CC(C(c1ccccn1)N)C 1P00J25O [1,1,0,0,0,0|1,0,0]=3 1653 B11R1.36 CC(C(c1ccccn1)O)C 1P01A93C [1,1,0,0,0,0|1,0,0]=3 1654 B11R1.36 CC(C(c1cccnc1)N)C 1P00CLHH [1,1,0,0,0,0|1,0,0]=3 1655 B11R1.36 CC(C(c1cccnc1)N)C 1P00J26G [1,1,0,0,0,0|1,0,0]=3 1656 B11R1.36 CC([C@@H](c1ccccn1)N)C 1P01DUNS [1,1,0,0,0,0|1,0,0]=3 1657 B11R1.36 CC([C@H](c1ccccn1)N)C 1P01FQ3E [1,1,0,0,0,0|1,0,0]=3 1658 B11R1.36 CC(c1ccccc1)C(=N)N 1P00ID61 [1,1,0,0,0,0|1,0,1]=4 1659 B11R1.36 CC(c1ccccc1)C(=O)C 1P005863 [1,1,0,0,0,0|1,0,1]=4 1660 B11R1.36 CC(c1ccccc1)C(=O)N 1P01DYW4 [1,1,0,0,0,0|1,0,1]=4 1661 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [1,1,0,0,0,0|0,0,0]=2 1662 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [1,1,0,0,0,0|0,0,0]=2 1663 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [1,1,0,0,0,0|1,0,0]=3 1664 B11R1.36 CC(c1ccncc1)C(C)C 1P01FF85 [1,1,0,0,0,0|1,0,0]=3 1665 B11R1.36 CN(C(=O)c1ccccc1)C 1P003T1L [1,1,0,0,0,0|1,0,1]=4 1666 B11R1.36 CN(C(=O)c1ccccc1)N 1P00AO6B [1,1,0,0,0,0|1,0,1]=4 1667 B11R1.36 C[C@@H](c1ccccc1)N(C)C 1P003CV1 [1,1,0,0,0,0|1,0,0]=3 1668 B11R1.36 C[C@H](c1ccccc1)C(=O)N 1P009AQG [1,1,0,0,0,0|1,0,1]=4 1669 B11R1.36 C[C@H](c1ccccc1)N(C)C 1P003CMT [1,1,0,0,0,0|1,0,0]=3 1670 B11R1.36 ClC(c1ccccc1)C(=O)C 1P00DQWI [1,1,0,0,0,0|1,0,1]=4 1671 B11R1.36 ClC(c1ccccc1)C(=O)N 1P00FMLD [1,1,0,0,0,0|1,0,1]=4 1672 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [1,1,0,0,0,0|0,0,0]=2 1673 B11R1.36 NC(c1ccccc1)C(=O)C 1P00BZXU [1,1,0,0,0,0|1,0,1]=4 1674 B11R1.36 NC(c1ccccc1)C(=O)N 1P003GTB [1,1,0,0,0,0|1,0,1]=4 1675 B11R1.36 NC(c1ccccc1)C(=O)N 1P019YJK [1,1,0,0,0,0|1,0,1]=4 1676 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [1,1,0,0,0,0|0,0,0]=2 1677 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [1,1,0,0,0,0|0,0,0]=2 1678 B11R1.36 NC(c1ccccc1)C(F)F 1P01AMBO [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [1,1,0,0,0,0|1,0,0]=3 1680 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [1,1,0,0,0,0|1,0,0]=3 1681 B11R1.36 NC(c1ccncc1)C(C)C 1P00EKIT [1,1,0,0,0,0|1,0,0]=3 1682 B11R1.36 NC(c1ncccn1)C(C)C 1P027VJU [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P0035GT [1,1,0,0,0,0|1,0,1]=4 1684 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P00EBWG [1,1,0,0,0,0|1,0,1]=4 1685 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [1,1,0,0,0,0|0,0,0]=2 1686 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [1,1,0,0,0,0|0,0,0]=2 1687 B11R1.36 N[C@@H](c1ccccc1)C(F)F 1P01E61P [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [1,1,0,0,0,0|1,0,0]=3 1689 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [1,1,0,0,0,0|1,0,0]=3 1690 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P003POK [1,1,0,0,0,0|1,0,1]=4 1691 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P00IBVP [1,1,0,0,0,0|1,0,1]=4 1692 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [1,1,0,0,0,0|0,0,0]=2 1693 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [1,1,0,0,0,0|0,0,0]=2 1694 B11R1.36 N[C@H](c1ccccc1)C(F)F 1P01DZT4 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [1,1,0,0,0,0|1,0,0]=3 1696 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [1,1,0,0,0,0|1,0,0]=3 1697 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [1,1,0,0,0,0|1,0,0]=3 1698 B11R1.36 OC(c1ccccc1)C(=O)C 1P006OD2 [1,1,0,0,0,0|1,0,1]=4 1699 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [1,1,0,0,0,0|1,0,1]=4 1700 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [1,1,0,0,0,0|0,0,0]=2 1701 B11R1.36 OC(c1ccccc1)C(F)F 1P019DAC [1,1,0,0,0,0|2,0,0]=4 1702 B11R1.36 OC(c1ccncc1)C(N)C 1P01AAOY [1,1,0,0,0,0|1,0,0]=3 1703 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [1,1,0,0,0,0|1,0,1]=4 1704 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [1,1,0,0,0,0|0,0,0]=2 1705 B11R1.36 O[C@@H](c1ccccc1)C(F)F 1P01ALTG [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [1,1,0,0,0,0|1,0,1]=4 1707 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [1,1,0,0,0,0|0,0,0]=2 1708 B11R1.36 O[C@H](c1ccccc1)C(F)F 1P01BCSU [1,1,0,0,0,0|2,0,0]=4 1709 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [1,1,0,0,0,0|0,0,0]=2 1710 B11R1.86 CC(=O)Cc1ccccc1Br 1P003H9D [1,1,0,0,0,0|1,0,1]=4 1711 B11R1.86 CC(=O)Cc1ccccc1C 1P00D954 [1,1,0,0,0,0|1,0,1]=4 1712 B11R1.86 CC(=O)Cc1ccccc1Cl 1P003DAJ [1,1,0,0,0,0|1,0,1]=4 1713 B11R1.86 CC(=O)Cc1ccccc1F 1P003BOY [1,1,0,0,0,0|1,0,1]=4 1714 B11R1.86 CC(=O)Cc1ccccc1I 1P01ALIT [1,1,0,0,0,0|1,0,1]=4 1715 B11R1.86 CC(=O)Cc1ccccc1O 1P000VSR [1,1,0,0,0,0|1,0,1]=4 1716 B11R1.86 CC(Cc1ccccc1C)N 1P00DB4P [1,1,0,0,0,0|0,0,0]=2 1717 B11R1.86 CC(Cc1ccccc1Cl)O 1P01EXHL [1,1,0,0,0,0|1,0,0]=3 1718 B11R1.86 CC(Cc1ccccc1I)N 1P00BKEF [1,1,0,0,0,0|0,0,0]=2 1719 B11R1.86 CC(Cc1ccccc1N)C 1P005KTS [1,1,0,0,0,0|0,0,0]=2 1720 B11R1.86 CC(Cc1ccccc1O)C 1P00D6I3 [1,1,0,0,0,0|0,0,0]=2 1721 B11R1.86 CC(Cc1ccccc1O)N 1P01DX8H [1,1,0,0,0,0|0,0,0]=2 1722 B11R1.86 CC(Cc1ccncc1C)N 1P02850K [1,1,0,0,0,0|1,0,0]=3 1723 B11R1.86 CC(Cc1ncccc1Br)C 1P028GXI [1,1,0,0,0,0|1,0,0]=3 1724 B11R1.86 CC(Cc1ncccc1N)C 1P028HKH [1,1,0,0,0,0|1,0,0]=3 1725 B11R1.86 CC(Cc1nccnc1C)C 1P003BP7 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.86 CC(Nc1ccccc1Br)C 1P00B9GJ [1,1,0,0,0,0|1,0,0]=3 1727 B11R1.86 CC(Nc1ccccc1C)C 1P01ABKS [1,1,0,0,0,0|1,0,0]=3 1728 B11R1.86 CC(Nc1ccccc1I)C 1P01AYWT [1,1,0,0,0,0|1,0,0]=3 1729 B11R1.86 CC(Nc1ccccc1N)C 1P00FIA6 [1,1,0,0,0,0|1,0,0]=3 1730 B11R1.86 CC(Nc1ccccc1S)C 1P01UCG1 [1,1,0,0,0,0|1,0,0]=3 1731 B11R1.86 CC(Nc1cccnc1C)C 1P01AWUY [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.86 CC(Nc1ccncc1N)C 1P019SXV [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.86 CC(Nc1ncccc1N)C 1P007OKF [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.86 CC(Oc1ccccc1Br)C 1P00375S [1,1,0,0,0,0|1,0,0]=3 1735 B11R1.86 CC(Oc1ccccc1C)C 1P00I71J [1,1,0,0,0,0|1,0,0]=3 1736 B11R1.86 CC(Oc1ccccc1Cl)C 1P00CLSM [1,1,0,0,0,0|1,0,0]=3 1737 B11R1.86 CC(Oc1ccccc1F)C 1P000BWE [1,1,0,0,0,0|1,0,0]=3 1738 B11R1.86 CC(Oc1ccccc1I)C 1P00G9T6 [1,1,0,0,0,0|1,0,0]=3 1739 B11R1.86 CC(Oc1ccccc1N)C 1P002VP9 [1,1,0,0,0,0|1,0,0]=3 1740 B11R1.86 CC(Oc1ccccc1N)C 1P00G7TU [1,1,0,0,0,0|1,0,0]=3 1741 B11R1.86 CC(Oc1ccccc1O)C 1P003HY4 [1,1,0,0,0,0|1,0,0]=3 1742 B11R1.86 CC(Oc1cccnc1Br)C 1P0009AK [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.86 CC(Oc1cccnc1N)C 1P00H42Y [1,1,0,0,0,0|2,0,0]=4 1744 B11R1.86 CC(Oc1cccnc1N)C 1P01B20L [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.86 CC(Oc1ccncc1N)C 1P027Y80 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.86 CC(Oc1cnccc1N)C 1P01C7K3 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.86 CC(Oc1ncccc1Br)C 1P00FCTA [1,1,0,0,0,0|2,0,0]=4 1748 B11R1.86 CC(Oc1ncccc1Cl)C 1P00BHLW [1,1,0,0,0,0|2,0,0]=4 1749 B11R1.86 CC(Oc1ncccc1I)C 1P003K1V [1,1,0,0,0,0|2,0,0]=4 1750 B11R1.86 CC(Oc1ncccc1N)C 1P019V3F [1,1,0,0,0,0|2,0,0]=4 1751 B11R1.86 CC(Sc1ccccc1N)C 1P00ECRQ [1,1,0,0,0,0|1,0,0]=3 1752 B11R1.86 CC(Sc1ccccc1N)C 1P00IMP0 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.86 CN(Cc1ccccc1Br)C 1P002BE6 [1,1,0,0,0,0|1,0,0]=3 1754 B11R1.86 CN(Cc1ccccc1F)C 1P002NM7 [1,1,0,0,0,0|1,0,0]=3 1755 B11R1.86 CN(Cc1ccccc1N)C 1P002F0H [1,1,0,0,0,0|1,0,0]=3 1756 B11R1.86 CN(Cc1ccccc1N)C 1P00G7QZ [1,1,0,0,0,0|1,0,0]=3 1757 B11R1.86 CN(Cc1ccccc1N)C 1P00J208 [1,1,0,0,0,0|1,0,0]=3 1758 B11R1.86 CN(Cc1ncccc1O)C 1P00BCTN [1,1,0,0,0,0|2,0,0]=4 1759 B11R1.86 CS(=O)Cc1ccccc1N 1P01AC6V [1,1,0,0,0,0|2,0,0]=4 1760 B11R1.86 FC(Cc1ccccc1Br)F 1P028WPX [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.86 NC(=N)Cc1ccccc1Br 1P009BM9 [1,1,0,0,0,0|1,0,1]=4 1762 B11R1.86 NC(=N)Cc1ccccc1C 1P00JTDN [1,1,0,0,0,0|1,0,1]=4 1763 B11R1.86 NC(=N)Cc1ccccc1Cl 1P00DK5P [1,1,0,0,0,0|1,0,1]=4 1764 B11R1.86 NC(=N)Cc1ccccc1F 1P00IED3 [1,1,0,0,0,0|1,0,1]=4 1765 B11R1.86 NC(=O)Cc1ccccc1C 1P00C7O3 [1,1,0,0,0,0|1,0,1]=4 1766 B11R1.86 NC(=O)Cc1ccccc1Cl 1P0008KE [1,1,0,0,0,0|1,0,1]=4 1767 B11R1.86 NC(=O)Cc1ccccc1F 1P00I6ND [1,1,0,0,0,0|1,0,1]=4 1768 B11R1.86 NC(=O)Cc1ccccc1N 1P00BZX4 [1,1,0,0,0,0|1,0,1]=4 1769 B11R1.86 NC(=O)Cc1ccccc1O 1P006Y9M [1,1,0,0,0,0|1,0,1]=4 1770 B11R1.86 NC(=S)Cc1ccccc1Br 1P008SJN [1,1,0,0,0,0|1,0,1]=4 1771 B11R1.86 NC(=S)Cc1ccccc1F 1P00H9ZX [1,1,0,0,0,0|1,0,1]=4 1772 B11R1.157 CC(=C)Cc1cccc(c1)F 1P006BT5 [1,1,0,0,0,0|0,0,2]=4 1773 B11R1.157 CC(=O)Cc1cccc(c1)Br 1P00BC3Y [1,1,0,0,0,0|1,0,1]=4 1774 B11R1.157 CC(=O)Cc1cccc(c1)C 1P002H8X [1,1,0,0,0,0|1,0,1]=4 1775 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1P001GKC [1,1,0,0,0,0|1,0,1]=4 1776 B11R1.157 CC(=O)Cc1cccc(c1)F 1P001ZL5 [1,1,0,0,0,0|1,0,1]=4 1777 B11R1.157 CC(Cc1cc(Br)ccn1)O 1P01FM2O [1,1,0,0,0,0|2,0,0]=4 1778 B11R1.157 CC(Cc1cccc(c1)Br)C 1P001AW5 [1,1,0,0,0,0|0,0,0]=2 1779 B11R1.157 CC(Cc1cccc(c1)Br)N 1P00EKIM [1,1,0,0,0,0|0,0,0]=2 1780 B11R1.157 CC(Cc1cccc(c1)C)N 1P00EM0G [1,1,0,0,0,0|0,0,0]=2 1781 B11R1.157 CC(Cc1cccc(c1)Cl)Br 1P01BCMF [1,1,0,0,0,0|1,0,0]=3 1782 B11R1.157 CC(Cc1cccc(c1)Cl)N 1P00I7HN [1,1,0,0,0,0|0,0,0]=2 1783 B11R1.157 CC(Cc1cccc(c1)Cl)O 1P01DIZP [1,1,0,0,0,0|1,0,0]=3 1784 B11R1.157 CC(Cc1cccc(c1)F)O 1P01A08E [1,1,0,0,0,0|1,0,0]=3 1785 B11R1.157 CC(Cc1cccc(c1)I)C 1P0283V2 [1,1,0,0,0,0|0,0,0]=2 1786 B11R1.157 CC(Cc1cccc(c1)I)N 1P002DNG [1,1,0,0,0,0|0,0,0]=2 1787 B11R1.157 CC(Cc1cccc(c1)O)N 1P00939S [1,1,0,0,0,0|0,0,0]=2 1788 B11R1.157 CC(Cc1cccc(c1)O)N 1P01C23Z [1,1,0,0,0,0|0,0,0]=2 1789 B11R1.157 CC(Nc1cccc(c1)Br)C 1P00A7HU [1,1,0,0,0,0|1,0,0]=3 1790 B11R1.157 CC(Nc1cccc(c1)C)C 1P0007BJ [1,1,0,0,0,0|1,0,0]=3 1791 B11R1.157 CC(Nc1cccc(c1)C)C 1P01A9T6 [1,1,0,0,0,0|1,0,0]=3 1792 B11R1.157 CC(Nc1cccc(c1)Cl)C 1P00BXCF [1,1,0,0,0,0|1,0,0]=3 1793 B11R1.157 CC(Nc1cccc(c1)F)C 1P007QOV [1,1,0,0,0,0|1,0,0]=3 1794 B11R1.157 CC(Nc1cccc(c1)O)C 1P002NTG [1,1,0,0,0,0|1,0,0]=3 1795 B11R1.157 CC(Oc1cccc(c1)Br)C 1P00104A [1,1,0,0,0,0|1,0,0]=3 1796 B11R1.157 CC(Oc1cccc(c1)C)C 1P00AR0W [1,1,0,0,0,0|1,0,0]=3 1797 B11R1.157 CC(Oc1cccc(c1)N)C 1P003K2Q [1,1,0,0,0,0|1,0,0]=3 1798 B11R1.157 CC(Oc1cccc(c1)N)C 1P01AVB0 [1,1,0,0,0,0|1,0,0]=3 1799 B11R1.157 CC(Oc1cccc(c1)O)C 1P00ICC1 [1,1,0,0,0,0|1,0,0]=3 1800 B11R1.157 CC(Oc1cccc(n1)Br)C 1P00DAUQ [1,1,0,0,0,0|2,0,0]=4 1801 B11R1.157 CC(Oc1cccc(n1)Cl)C 1P00H4US [1,1,0,0,0,0|2,0,0]=4 1802 B11R1.157 CC(Oc1cccc(n1)F)C 1P01A4S7 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.157 CC(Oc1cccc(n1)N)C 1P0280BF [1,1,0,0,0,0|2,0,0]=4 1804 B11R1.157 CC(Oc1ccnc(c1)N)C 1P020ETC [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.157 CC(Oc1cncc(c1)Br)C 1P00BFTH [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.157 CC(Oc1nccc(c1)Br)C 1P000BB6 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.157 CC(Oc1nccc(c1)Cl)C 1P009Z4I [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.157 CC(Oc1nccc(c1)I)C 1P019FH8 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.157 CC(Oc1nccc(c1)N)C 1P01AGGO [1,1,0,0,0,0|2,0,0]=4 1810 B11R1.157 CC(Sc1cccc(c1)Br)C 1P00ICIQ [1,1,0,0,0,0|1,0,0]=3 1811 B11R1.157 CN(Cc1cccc(c1)Br)C 1P00I9A0 [1,1,0,0,0,0|1,0,0]=3 1812 B11R1.157 CN(Cc1cccc(c1)N)C 1P00BCAX [1,1,0,0,0,0|1,0,0]=3 1813 B11R1.157 CN(Cc1cccc(c1)O)C 1P00EM5J [1,1,0,0,0,0|1,0,0]=3 1814 B11R1.157 CN(Cc1cccc(n1)Cl)C 1P01C4OW [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.157 CN(Cc1ccnc(c1)Cl)C 1P019TS1 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.157 CN(Cc1ccnc(c1)N)C 1P00FZEW [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.157 CN(Cc1cncc(c1)N)C 1P028FHK [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.157 CN(Cc1nccc(c1)Cl)C 1P01BSFA [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.157 CN(Cc1nccc(c1)N)C 1P01A3FE [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.157 CS(=O)Cc1cccc(c1)N 1P01AJ7C [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.157 FC(Cc1cccc(c1)N)F 1P023NV9 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.157 NC(=N)Cc1cccc(c1)Br 1P00HFIH [1,1,0,0,0,0|1,0,1]=4 1823 B11R1.157 NC(=N)Cc1cccc(c1)Cl 1P00EQSS [1,1,0,0,0,0|1,0,1]=4 1824 B11R1.157 NC(=N)Cc1cccc(c1)F 1P00IED4 [1,1,0,0,0,0|1,0,1]=4 1825 B11R1.157 NC(=O)Cc1cccc(c1)Br 1P00IB5E [1,1,0,0,0,0|1,0,1]=4 1826 B11R1.157 NC(=O)Cc1cccc(c1)Cl 1P00EB7X [1,1,0,0,0,0|1,0,1]=4 1827 B11R1.157 NC(=O)Cc1cccc(c1)N 1P000U3S [1,1,0,0,0,0|1,0,1]=4 1828 B11R1.157 NC(=O)Cc1cccc(c1)O 1P007OXP [1,1,0,0,0,0|1,0,1]=4 1829 B11R1.157 NC(=S)Cc1cccc(c1)C 1P006SWU [1,1,0,0,0,0|1,0,1]=4 1830 B11R1.157 NC(=S)Cc1cccc(c1)Cl 1P004VQ7 [1,1,0,0,0,0|1,0,1]=4 1831 B11R1.157 NC(=S)Cc1cccc(c1)F 1P01A5WM [1,1,0,0,0,0|1,0,1]=4 1832 B11R1.509 CC(Cc1ccccc1)(C)C 1P000347 [1,1,0,0,0,0|0,0,0]=2 1833 B11R1.509 CC(Cc1ccccc1)(Cl)C 1P0021FA [1,1,0,0,0,0|0,0,0]=2 1834 B11R1.509 CC(Cc1ccccc1)(O)C 1P003I27 [1,1,0,0,0,0|0,0,0]=2 1835 B11R1.509 CC(Nc1ccccc1)(C)C 1P01RVL9 [1,1,0,0,0,0|1,0,0]=3 1836 B11R1.509 CC(Nc1ccncc1)(C)C 1P00CHAQ [1,1,0,0,0,0|2,0,0]=4 1837 B11R1.509 CC(Oc1ccccc1)(C)C 1P0035XZ [1,1,0,0,0,0|1,0,0]=3 1838 B11R1.509 CC(Oc1ccccn1)(C)C 1P00G9RF [1,1,0,0,0,0|2,0,0]=4 1839 B11R1.509 CC(Oc1cccnc1)(C)C 1P00CHSG [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.509 CP(=O)(Cc1ccccc1)C 1P00765L [1,1,0,0,0,0|1,0,0]=3 1841 B11R1.509 CS(=O)(=N)Cc1ccccc1 1P007ADZ [1,1,0,0,0,0|1,0,1]=4 1842 B11R1.509 CS(=O)(=O)Cc1ccccc1 1P0032MN [1,1,0,0,0,0|2,0,0]=4 1843 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0000OI [1,1,0,0,0,0|1,0,0]=3 1844 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P000FZG [1,1,0,0,0,0|1,0,0]=3 1845 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z5 [1,1,0,0,0,0|1,0,0]=3 1846 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z6 [1,1,0,0,0,0|1,0,0]=3 1847 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM0 [1,1,0,0,0,0|1,0,0]=3 1848 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM2 [1,1,0,0,0,0|1,0,0]=3 1849 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM3 [1,1,0,0,0,0|1,0,0]=3 1850 B11R1.509 C[N+](Cc1ccccn1)(C)C 1P01XCPQ [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.509 C[N+](Cc1ccncc1)(C)C 1P01XCHT [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.509 C[Si](Cc1ccccc1)(C)C 1P0034Z7 [1,1,0,0,0,0|0,1,0]=3 1853 B11R1.509 C[Si](Cc1ccccc1)(Cl)C 1P0027YB [1,1,0,0,0,0|0,1,0]=3 1854 B11R1.509 C[Si](Oc1ccccc1)(C)C 1P00367Y [1,1,0,0,0,0|1,1,0]=4 1855 B11R1.509 C[Si](Sc1ccccc1)(C)C 1P003U76 [1,1,0,0,0,0|1,1,0]=4 1856 B11R1.509 FC(Cc1ccccc1)(F)F 1P00BJVJ [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.509 NS(=O)(=O)Cc1ccccc1 1P0036ER [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.7 BrCC(c1ccccc1)(C)C 1P01BAKY [0,1,0,0,1,0|2,0,0]=4 1859 B11R1.7 C#CC(c1ccccc1)(C)C 1P00BFJ1 [0,1,0,0,1,0|1,0,1]=4 1860 B11R1.7 C#CC(c1ccccc1)(O)C 1P000WZC [0,1,0,0,1,0|1,0,1]=4 1861 B11R1.7 CCC(c1ccccc1)(C)C 1P002A7K [0,1,0,0,1,0|1,0,0]=3 1862 B11R1.7 CCC(c1ccccc1)(N)C 1P00VUZE [0,1,0,0,1,0|1,0,0]=3 1863 B11R1.7 CCC(c1ccccc1)(O)C 1P001P8N [0,1,0,0,1,0|1,0,0]=3 1864 B11R1.7 CNC(c1ccccc1)(C)C 1P01B9WJ [0,1,0,0,1,0|0,0,0]=2 1865 B11R1.7 CNC(c1ccccc1)(C)C 1P01C5RR [0,1,0,0,1,0|0,0,0]=2 1866 B11R1.7 CNS(=O)(=O)c1ccccc1 1P0035UZ [0,1,0,0,1,0|2,0,0]=4 1867 B11R1.7 CO[Si](c1ccccc1)(C)C 1P0026UM [0,1,0,0,1,0|1,1,0]=4 1868 B11R1.7 ClCC(c1ccccc1)(C)C 1P003TFM [0,1,0,0,1,0|2,0,0]=4 1869 B11R1.7 N#CC(c1ccccc1)(C)C 1P000JCU [0,1,0,0,1,0|2,0,0]=4 1870 B11R1.7 N#CC(c1ccccc1)(F)C 1P01ACVJ [0,1,0,0,1,0|2,0,0]=4 1871 B11R1.7 N#CC(c1ccccc1)(N)C 1P00I8SK [0,1,0,0,1,0|2,0,0]=4 1872 B11R1.7 NCC(c1ccccc1)(C)C 1P00BDOZ [0,1,0,0,1,0|2,0,0]=4 1873 B11R1.7 NCC(c1ccccc1)(C)C 1P01B5MY [0,1,0,0,1,0|2,0,0]=4 1874 B11R1.7 NCC(c1ccccc1)(F)C 1P028ZA3 [0,1,0,0,1,0|2,0,0]=4 1875 B11R1.7 NCC(c1ccccc1)(N)C 1P00E13O [0,1,0,0,1,0|2,0,0]=4 1876 B11R1.7 NCC(c1ccccc1)(O)C 1P002556 [0,1,0,0,1,0|2,0,0]=4 1877 B11R1.7 O=CC(c1ccccc1)(C)C 1P01A32D [0,1,0,0,1,0|2,0,0]=4 1878 B11R1.7 O=CC(c1ccccc1)(Cl)C 1P01BDN1 [0,1,0,0,1,0|2,0,0]=4 1879 B11R1.7 O=CC(c1ccccc1)(F)C 1P027TZT [0,1,0,0,1,0|2,0,0]=4 1880 B11R1.7 OCC(c1ccccc1)(C)C 1P00BGLD [0,1,0,0,1,0|2,0,0]=4 1881 B11R1.7 OCC(c1ccccc1)(N)C 1P00H3N7 [0,1,0,0,1,0|2,0,0]=4 1882 B11R1.7 OCC(c1ccccc1)(N)C 1P00I0RM [0,1,0,0,1,0|2,0,0]=4 1883 B11R1.7 OC[C@@](c1ccccc1)(N)C 1P01X9O4 [0,1,0,0,1,0|2,0,0]=4 1884 B11R1.7 OC[C@](c1ccccc1)(N)C 1P01XCAG [0,1,0,0,1,0|2,0,0]=4 1885 B11R1.7 OOC(c1ccccc1)(C)C 1P003700 [0,1,0,0,1,0|2,0,0]=4 1886 B11R1.12 BrCC(c1ccccc1)CBr 1P004VCB [0,1,0,0,1,0|2,0,0]=4 1887 B11R1.12 BrCC(c1ccccc1)OC 1P0012XV [0,1,0,0,1,0|1,0,0]=3 1888 B11R1.12 BrC[C@H](c1ccccc1)OC 1P028A3K [0,1,0,0,1,0|1,0,0]=3 1889 B11R1.12 CCC(c1ccccc1)C#N 1P003IC0 [0,1,0,0,1,0|1,0,1]=4 1890 B11R1.12 CCC(c1ccccc1)C=O 1P006VRA [0,1,0,0,1,0|1,0,1]=4 1891 B11R1.12 CCC(c1ccccc1)CBr 1P00CNP9 [0,1,0,0,1,0|1,0,0]=3 1892 B11R1.12 CCC(c1ccccc1)CN 1P002ARC [0,1,0,0,1,0|1,0,0]=3 1893 B11R1.12 CCC(c1ccccc1)CN 1P00VTS4 [0,1,0,0,1,0|1,0,0]=3 1894 B11R1.12 CCC(c1ccccc1)CO 1P0029E7 [0,1,0,0,1,0|1,0,0]=3 1895 B11R1.12 CCC(c1ccccc1)NC 1P003TMS [0,1,0,0,1,0|0,0,0]=2 1896 B11R1.12 CCC(c1ccccc1)NC 1P00J3I8 [0,1,0,0,1,0|0,0,0]=2 1897 B11R1.12 CCC(c1ccccn1)CC 1P003FAX [0,1,0,0,1,0|2,0,0]=4 1898 B11R1.12 CCC(c1ccccn1)NC 1P005WXZ [0,1,0,0,1,0|1,0,0]=3 1899 B11R1.12 CCC(c1cccnc1)NC 1P005WXV [0,1,0,0,1,0|1,0,0]=3 1900 B11R1.12 CCC(c1ccncc1)CC 1P003KI3 [0,1,0,0,1,0|2,0,0]=4 1901 B11R1.12 CCC(c1ccncc1)NC 1P01AKEW [0,1,0,0,1,0|1,0,0]=3 1902 B11R1.12 CCN(c1ccccc1)CC 1P003T07 [0,1,0,0,1,0|2,0,0]=4 1903 B11R1.12 CCN(c1ccccc1)CC 1P00EDAT [0,1,0,0,1,0|2,0,0]=4 1904 B11R1.12 CCP(c1ccccc1)CC 1P001SFJ [0,1,0,0,1,0|2,0,0]=4 1905 B11R1.12 CC[C@@H](c1ccccc1)NC 1P027V0B [0,1,0,0,1,0|0,0,0]=2 1906 B11R1.12 CC[C@H](c1ccccc1)NC 1P0292B5 [0,1,0,0,1,0|0,0,0]=2 1907 B11R1.12 CNC(c1cccnc1)CO 1P027U45 [0,1,0,0,1,0|1,0,0]=3 1908 B11R1.12 COB(c1ccccc1)OC 1P00A5PJ [0,1,0,0,1,0|2,0,0]=4 1909 B11R1.12 COC(c1ccccc1)C#N 1P00JRVV [0,1,0,0,1,0|1,0,1]=4 1910 B11R1.12 COC(c1ccccc1)OC 1P0034Y6 [0,1,0,0,1,0|1,0,0]=3 1911 B11R1.12 COP(c1ccccc1)OC 1P002YWM [0,1,0,0,1,0|2,0,0]=4 1912 B11R1.12 CSC(=NC)c1ccccc1 1P01A712 [0,1,0,0,1,0|0,0,2]=4 1913 B11R1.12 FC[C@@H](c1ccccc1)NC 1P028J88 [0,1,0,0,1,0|0,0,0]=2 1914 B11R1.12 FC[C@H](c1ccccc1)NC 1P028F07 [0,1,0,0,1,0|0,0,0]=2 1915 B11R1.12 NCC(c1ccccc1)CN 1P01B8B0 [0,1,0,0,1,0|2,0,0]=4 1916 B11R1.12 NCC(c1ccccc1)CO 1P00EFDY [0,1,0,0,1,0|2,0,0]=4 1917 B11R1.12 NCC(c1ccccc1)CO 1P01XEA8 [0,1,0,0,1,0|2,0,0]=4 1918 B11R1.12 NCC(c1ccccc1)OC 1P00JRVO [0,1,0,0,1,0|1,0,0]=3 1919 B11R1.12 NCC(c1ccccc1)OC 1P019X26 [0,1,0,0,1,0|1,0,0]=3 1920 B11R1.12 OCC(c1ccccc1)CO 1P001PME [0,1,0,0,1,0|2,0,0]=4 1921 B11R1.12 OCC(c1ccccc1)NN 1P01BG9A [0,1,0,0,1,0|1,0,0]=3 1922 B11R1.12 OCC(c1ccccc1)OC 1P00C29Q [0,1,0,0,1,0|1,0,0]=3 1923 B11R1.12 OC[C@@H](c1ccccc1)NC 1P00GAP3 [0,1,0,0,1,0|0,0,0]=2 1924 B11R1.12 OC[C@H](c1ccccc1)NC 1P00232I [0,1,0,0,1,0|0,0,0]=2 1925 B11R1.12 OC[C@H](c1ccccc1)NC 1P009ZQ6 [0,1,0,0,1,0|0,0,0]=2 1926 B11R1.12 SCC(c1ccccc1)OC 1P028BB3 [0,1,0,0,1,0|1,0,0]=3 1927 B11R1.22 BrCC(c1ccc(cc1)Cl)C 1P01BLOD [0,1,0,0,1,0|2,0,0]=4 1928 B11R1.22 BrCC(c1ccc(cc1)F)C 1P01BLO8 [0,1,0,0,1,0|2,0,0]=4 1929 B11R1.22 CC(c1ccc(cc1)Br)C#N 1P00CLSN [0,1,0,0,1,0|2,0,0]=4 1930 B11R1.22 CC(c1ccc(cc1)C)C#N 1P01AAZC [0,1,0,0,1,0|2,0,0]=4 1931 B11R1.22 CC(c1ccc(cc1)Cl)C#N 1P00BK75 [0,1,0,0,1,0|2,0,0]=4 1932 B11R1.22 CC(c1ccc(cc1)F)C#N 1P00DWK5 [0,1,0,0,1,0|2,0,0]=4 1933 B11R1.22 CC(c1ccc(cc1)N)C#N 1P002WKJ [0,1,0,0,1,0|2,0,0]=4 1934 B11R1.22 CCC(c1ccc(cc1)Br)N 1P005H3D [0,1,0,0,1,0|2,0,0]=4 1935 B11R1.22 CCC(c1ccc(cc1)Br)N 1P019N35 [0,1,0,0,1,0|2,0,0]=4 1936 B11R1.22 CCC(c1ccc(cc1)Br)O 1P00DD7W [0,1,0,0,1,0|2,0,0]=4 1937 B11R1.22 CCC(c1ccc(cc1)C)N 1P0020AU [0,1,0,0,1,0|2,0,0]=4 1938 B11R1.22 CCC(c1ccc(cc1)C)N 1P00J1NC [0,1,0,0,1,0|2,0,0]=4 1939 B11R1.22 CCC(c1ccc(cc1)C)O 1P003DH8 [0,1,0,0,1,0|2,0,0]=4 1940 B11R1.22 CCC(c1ccc(cc1)Cl)Br 1P019YD3 [0,1,0,0,1,0|2,0,0]=4 1941 B11R1.22 CCC(c1ccc(cc1)Cl)N 1P00G4ZX [0,1,0,0,1,0|2,0,0]=4 1942 B11R1.22 CCC(c1ccc(cc1)Cl)N 1P00GAQI [0,1,0,0,1,0|2,0,0]=4 1943 B11R1.22 CCC(c1ccc(cc1)Cl)O 1P009HVZ [0,1,0,0,1,0|2,0,0]=4 1944 B11R1.22 CCC(c1ccc(cc1)F)Cl 1P01AKB3 [0,1,0,0,1,0|2,0,0]=4 1945 B11R1.22 CCC(c1ccc(cc1)F)N 1P005SWG [0,1,0,0,1,0|2,0,0]=4 1946 B11R1.22 CCC(c1ccc(cc1)F)N 1P0096RS [0,1,0,0,1,0|2,0,0]=4 1947 B11R1.22 CCC(c1ccc(cc1)F)O 1P00FETH [0,1,0,0,1,0|2,0,0]=4 1948 B11R1.22 CCC(c1ccc(cc1)N)C 1P002ZWD [0,1,0,0,1,0|1,0,0]=3 1949 B11R1.22 CCC(c1ccc(cc1)O)C 1P003MHH [0,1,0,0,1,0|1,0,0]=3 1950 B11R1.22 CCC(c1ccc(cc1)O)C 1P00BEN8 [0,1,0,0,1,0|1,0,0]=3 1951 B11R1.22 CCC(c1ccc(cc1)O)N 1P0009DJ [0,1,0,0,1,0|2,0,0]=4 1952 B11R1.22 CCC(c1ccc(cc1)O)O 1P01AI01 [0,1,0,0,1,0|2,0,0]=4 1953 B11R1.22 CCN(c1ccc(cc1)N)C 1P00BI80 [0,1,0,0,1,0|2,0,0]=4 1954 B11R1.22 CC[C@@H](c1ccc(cc1)Br)N 1P0096MH [0,1,0,0,1,0|2,0,0]=4 1955 B11R1.22 CC[C@@H](c1ccc(cc1)C)N 1P000DPU [0,1,0,0,1,0|2,0,0]=4 1956 B11R1.22 CC[C@@H](c1ccc(cc1)Cl)N 1P000VZ0 [0,1,0,0,1,0|2,0,0]=4 1957 B11R1.22 CC[C@@H](c1ccc(cc1)F)N 1P000F7I [0,1,0,0,1,0|2,0,0]=4 1958 B11R1.22 CC[C@@H](c1ccc(cc1)F)N 1P00DLXZ [0,1,0,0,1,0|2,0,0]=4 1959 B11R1.22 CC[C@@H](c1ccc(cc1)F)O 1P00AKPY [0,1,0,0,1,0|2,0,0]=4 1960 B11R1.22 CC[C@@H](c1ccc(cc1)I)N 1P01XCCG [0,1,0,0,1,0|2,0,0]=4 1961 B11R1.22 CC[C@H](c1ccc(cc1)Br)N 1P00GAQB [0,1,0,0,1,0|2,0,0]=4 1962 B11R1.22 CC[C@H](c1ccc(cc1)Br)N 1P01DUMG [0,1,0,0,1,0|2,0,0]=4 1963 B11R1.22 CC[C@H](c1ccc(cc1)Cl)N 1P001KQZ [0,1,0,0,1,0|2,0,0]=4 1964 B11R1.22 CC[C@H](c1ccc(cc1)F)N 1P000DVC [0,1,0,0,1,0|2,0,0]=4 1965 B11R1.22 CC[C@H](c1ccc(cc1)F)N 1P00BLNR [0,1,0,0,1,0|2,0,0]=4 1966 B11R1.22 CC[C@H](c1ccc(cc1)F)O 1P00AQ92 [0,1,0,0,1,0|2,0,0]=4 1967 B11R1.22 CC[C@H](c1ccc(cc1)I)N 1P01XCKG [0,1,0,0,1,0|2,0,0]=4 1968 B11R1.22 CNC(=O)c1ccc(cc1)Br 1P003LHE [0,1,0,0,1,0|1,0,1]=4 1969 B11R1.22 CNC(=O)c1ccc(cc1)C 1P00ACRR [0,1,0,0,1,0|1,0,1]=4 1970 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1P00FHUL [0,1,0,0,1,0|1,0,1]=4 1971 B11R1.22 CNC(=O)c1ccc(cc1)F 1P006CH0 [0,1,0,0,1,0|1,0,1]=4 1972 B11R1.22 CNC(=O)c1ccc(cc1)I 1P00IGDD [0,1,0,0,1,0|1,0,1]=4 1973 B11R1.22 CNC(=O)c1ccc(cc1)N 1P00E9GG [0,1,0,0,1,0|1,0,1]=4 1974 B11R1.22 CNC(=O)c1ccc(cc1)O 1P002URV [0,1,0,0,1,0|1,0,1]=4 1975 B11R1.22 CNC(=O)c1ccc(cc1)S 1P01DWIY [0,1,0,0,1,0|1,0,1]=4 1976 B11R1.22 CNC(c1ccc(cc1)Br)C 1P01KXN7 [0,1,0,0,1,0|0,0,0]=2 1977 B11R1.22 CNC(c1ccc(cc1)C)C 1P019MEB [0,1,0,0,1,0|0,0,0]=2 1978 B11R1.22 CNC(c1ccc(cc1)Cl)C 1P00CNEG [0,1,0,0,1,0|0,0,0]=2 1979 B11R1.22 CNC(c1ccc(cc1)Cl)C 1P00DD5O [0,1,0,0,1,0|0,0,0]=2 1980 B11R1.22 CNC(c1ccc(cc1)F)C 1P00EEPX [0,1,0,0,1,0|0,0,0]=2 1981 B11R1.22 CNC(c1ccc(cc1)F)C 1P00J2DO [0,1,0,0,1,0|0,0,0]=2 1982 B11R1.22 CNC(c1ccc(cc1)O)C 1P019LPK [0,1,0,0,1,0|0,0,0]=2 1983 B11R1.22 CNC(c1ncc(cn1)Br)C 1P027X1M [0,1,0,0,1,0|2,0,0]=4 1984 B11R1.22 CN[C@@H](c1ccc(cc1)Br)C 1P0289KJ [0,1,0,0,1,0|0,0,0]=2 1985 B11R1.22 CN[C@@H](c1ccc(cc1)Cl)C 1P00BJTZ [0,1,0,0,1,0|0,0,0]=2 1986 B11R1.22 CN[C@@H](c1ccc(cc1)F)C 1P006J4B [0,1,0,0,1,0|0,0,0]=2 1987 B11R1.22 CN[C@@H](c1ccc(cc1)F)C 1P01XDH6 [0,1,0,0,1,0|0,0,0]=2 1988 B11R1.22 CN[C@H](c1ccc(cc1)Br)C 1P00232G [0,1,0,0,1,0|0,0,0]=2 1989 B11R1.22 CN[C@H](c1ccc(cc1)Br)C 1P01DUMF [0,1,0,0,1,0|0,0,0]=2 1990 B11R1.22 CN[C@H](c1ccc(cc1)Cl)C 1P01BSMG [0,1,0,0,1,0|0,0,0]=2 1991 B11R1.22 CN[C@H](c1ccc(cc1)Cl)C 1P01DE94 [0,1,0,0,1,0|0,0,0]=2 1992 B11R1.22 CN[C@H](c1ccc(cc1)F)C 1P027X0Q [0,1,0,0,1,0|0,0,0]=2 1993 B11R1.22 COC(c1ccc(cc1)Br)C 1P00EJP8 [0,1,0,0,1,0|1,0,0]=3 1994 B11R1.22 COC(c1ccc(cc1)N)C 1P01EILJ [0,1,0,0,1,0|1,0,0]=3 1995 B11R1.22 COC(c1ccc(cc1)O)C 1P01GDS9 [0,1,0,0,1,0|1,0,0]=3 1996 B11R1.22 NCC(c1ccc(cc1)Br)C 1P00BNUD [0,1,0,0,1,0|2,0,0]=4 1997 B11R1.22 NCC(c1ccc(cc1)Br)C 1P00I5CR [0,1,0,0,1,0|2,0,0]=4 1998 B11R1.22 NCC(c1ccc(cc1)C)C 1P01AK9Z [0,1,0,0,1,0|2,0,0]=4 1999 B11R1.22 NCC(c1ccc(cc1)F)C 1P019XO4 [0,1,0,0,1,0|2,0,0]=4 2000 B11R1.22 NNC(c1ccc(cc1)Br)C 1P0170AG [0,1,0,0,1,0|1,0,0]=3 2001 B11R1.22 NNC(c1ccc(cc1)Br)C 1P01A800 [0,1,0,0,1,0|1,0,0]=3 2002 B11R1.22 NNC(c1ccc(cc1)Cl)C 1P01A9KK [0,1,0,0,1,0|1,0,0]=3 2003 B11R1.22 NNC(c1ccc(cc1)Cl)C 1P01E17P [0,1,0,0,1,0|1,0,0]=3 2004 B11R1.22 O=CC(c1ccc(cc1)Br)C 1P01C728 [0,1,0,0,1,0|2,0,0]=4 2005 B11R1.22 O=CC(c1ccc(cc1)C)C 1P01BY6R [0,1,0,0,1,0|2,0,0]=4 2006 B11R1.22 O=CC(c1ccc(cc1)F)C 1P01A39H [0,1,0,0,1,0|2,0,0]=4 2007 B11R1.22 O=CC(c1ccc(cc1)I)C 1P01DDJW [0,1,0,0,1,0|2,0,0]=4 2008 B11R1.22 OCC(c1ccc(cc1)Br)C 1P01BDW6 [0,1,0,0,1,0|2,0,0]=4 2009 B11R1.22 OCC(c1ccc(cc1)F)C 1P01DWZF [0,1,0,0,1,0|2,0,0]=4 2010 B11R1.22 ONC(c1ccc(cc1)C)C 1P00ATXM [0,1,0,0,1,0|1,0,0]=3 2011 B11R1.22 ONC(c1ccc(cc1)F)C 1P01A40W [0,1,0,0,1,0|1,0,0]=3 2012 B11R1.23 BrCC(c1cccc(c1)Cl)C 1P01BCLB [0,1,0,0,1,0|2,0,0]=4 2013 B11R1.23 BrCC(c1cccc(c1)F)C 1P01BLO7 [0,1,0,0,1,0|2,0,0]=4 2014 B11R1.23 CCC(c1cccc(c1)Br)O 1P00FF2T [0,1,0,0,1,0|2,0,0]=4 2015 B11R1.23 CCC(c1cccc(c1)C)N 1P0096O8 [0,1,0,0,1,0|2,0,0]=4 2016 B11R1.23 CCC(c1cccc(c1)C)N 1P01ASWV [0,1,0,0,1,0|2,0,0]=4 2017 B11R1.23 CCC(c1cccc(c1)Cl)N 1P00CJA3 [0,1,0,0,1,0|2,0,0]=4 2018 B11R1.23 CCC(c1cccc(c1)Cl)O 1P00CS7V [0,1,0,0,1,0|2,0,0]=4 2019 B11R1.23 CCC(c1cccc(c1)F)N 1P01KZ3R [0,1,0,0,1,0|2,0,0]=4 2020 B11R1.23 CCC(c1cccc(c1)I)O 1P021UEN [0,1,0,0,1,0|2,0,0]=4 2021 B11R1.23 CCC(c1cccc(c1)N)C 1P01BVDJ [0,1,0,0,1,0|1,0,0]=3 2022 B11R1.23 CCC(c1cccc(c1)N)O 1P01QU9R [0,1,0,0,1,0|2,0,0]=4 2023 B11R1.23 CCC(c1cccc(c1)O)N 1P01XCRJ [0,1,0,0,1,0|2,0,0]=4 2024 B11R1.23 CCC(c1cccc(c1)O)N 1P024H08 [0,1,0,0,1,0|2,0,0]=4 2025 B11R1.23 CCN(c1cccc(c1)N)C 1P00HBVW [0,1,0,0,1,0|2,0,0]=4 2026 B11R1.23 CC[C@@H](c1cccc(c1)Br)N 1P00EM0Y [0,1,0,0,1,0|2,0,0]=4 2027 B11R1.23 CC[C@@H](c1cccc(c1)Br)N 1P00GAOA [0,1,0,0,1,0|2,0,0]=4 2028 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N 1P024FXL [0,1,0,0,1,0|2,0,0]=4 2029 B11R1.23 CC[C@@H](c1cccc(c1)Cl)O 1P00AKPZ [0,1,0,0,1,0|2,0,0]=4 2030 B11R1.23 CC[C@@H](c1cccc(c1)F)N 1P000VZ1 [0,1,0,0,1,0|2,0,0]=4 2031 B11R1.23 CC[C@@H](c1cccc(c1)O)N 1P01JV6A [0,1,0,0,1,0|2,0,0]=4 2032 B11R1.23 CC[C@@H](c1cccc(c1)O)O 1P007S3H [0,1,0,0,1,0|2,0,0]=4 2033 B11R1.23 CC[C@H](c1cccc(c1)Br)N 1P00EM0X [0,1,0,0,1,0|2,0,0]=4 2034 B11R1.23 CC[C@H](c1cccc(c1)C)N 1P001ATM [0,1,0,0,1,0|2,0,0]=4 2035 B11R1.23 CC[C@H](c1cccc(c1)Cl)N 1P000DPS [0,1,0,0,1,0|2,0,0]=4 2036 B11R1.23 CC[C@H](c1cccc(c1)F)N 1P000DP4 [0,1,0,0,1,0|2,0,0]=4 2037 B11R1.23 CNC(=O)c1cccc(c1)Br 1P00DASY [0,1,0,0,1,0|1,0,1]=4 2038 B11R1.23 CNC(=O)c1cccc(c1)I 1P00H50M [0,1,0,0,1,0|1,0,1]=4 2039 B11R1.23 CNC(=O)c1cccc(c1)N 1P006VNV [0,1,0,0,1,0|1,0,1]=4 2040 B11R1.23 CNC(=O)c1cccc(c1)O 1P001Q9H [0,1,0,0,1,0|1,0,1]=4 2041 B11R1.23 CNC(c1cccc(c1)Br)C 1P0095Z7 [0,1,0,0,1,0|0,0,0]=2 2042 B11R1.23 CNC(c1cccc(c1)Br)C 1P01K54U [0,1,0,0,1,0|0,0,0]=2 2043 B11R1.23 CNC(c1cccc(c1)Cl)C 1P00CNEC [0,1,0,0,1,0|0,0,0]=2 2044 B11R1.23 CNC(c1cccc(c1)F)C 1P008L4O [0,1,0,0,1,0|0,0,0]=2 2045 B11R1.23 CNC(c1cccc(c1)O)C 1P01AH7Y [0,1,0,0,1,0|0,0,0]=2 2046 B11R1.23 CN[C@@H](c1cccc(c1)F)C 1P009ZOZ [0,1,0,0,1,0|0,0,0]=2 2047 B11R1.23 CN[C@@H](c1cccc(c1)F)C 1P01KKPT [0,1,0,0,1,0|0,0,0]=2 2048 B11R1.23 CN[C@H](c1cccc(c1)C)C 1P01KLGP [0,1,0,0,1,0|0,0,0]=2 2049 B11R1.23 CN[C@H](c1cccc(c1)F)C 1P009GXB [0,1,0,0,1,0|0,0,0]=2 2050 B11R1.23 CN[C@H](c1cccc(c1)F)C 1P01KL8K [0,1,0,0,1,0|0,0,0]=2 2051 B11R1.23 COC(c1cccc(c1)N)C 1P01AA5Y [0,1,0,0,1,0|1,0,0]=3 2052 B11R1.23 CSC(c1cccc(c1)N)C 1P01AHKM [0,1,0,0,1,0|1,0,0]=3 2053 B11R1.23 N#CC(c1cccc(c1)C)C 1P01EK7W [0,1,0,0,1,0|2,0,0]=4 2054 B11R1.23 N#CC(c1cccc(c1)Cl)C 1P028ZTR [0,1,0,0,1,0|2,0,0]=4 2055 B11R1.23 NCC(c1cccc(c1)Br)C 1P0281OG [0,1,0,0,1,0|2,0,0]=4 2056 B11R1.23 NCC(c1cccc(c1)C)C 1P01AL01 [0,1,0,0,1,0|2,0,0]=4 2057 B11R1.23 NCC(c1cccc(c1)Cl)C 1P024PZY [0,1,0,0,1,0|2,0,0]=4 2058 B11R1.23 NCC(c1cccc(c1)F)C 1P019YF2 [0,1,0,0,1,0|2,0,0]=4 2059 B11R1.23 NCC(c1cccc(c1)F)C 1P019YGD [0,1,0,0,1,0|2,0,0]=4 2060 B11R1.23 NOC(c1cccc(c1)Br)C 1P0287UF [0,1,0,0,1,0|2,0,0]=4 2061 B11R1.23 O=CC(c1cccc(c1)Br)C 1P00IB0O [0,1,0,0,1,0|2,0,0]=4 2062 B11R1.23 O=CC(c1cccc(c1)C)C 1P01FDAY [0,1,0,0,1,0|2,0,0]=4 2063 B11R1.23 O=CC(c1cccc(c1)F)C 1P00DO6C [0,1,0,0,1,0|2,0,0]=4 2064 B11R1.23 O=CC(c1cccc(c1)I)C 1P028GJY [0,1,0,0,1,0|2,0,0]=4 2065 B11R1.23 OCC(c1cccc(c1)Cl)C 1P01A3Y3 [0,1,0,0,1,0|2,0,0]=4 2066 B11R1.222 CCC(c1ccccc1Br)N 1P009ZWX [0,1,0,0,1,0|2,0,0]=4 2067 B11R1.222 CCC(c1ccccc1Br)O 1P00FH1T [0,1,0,0,1,0|2,0,0]=4 2068 B11R1.222 CCC(c1ccccc1C)N 1P00DLYR [0,1,0,0,1,0|2,0,0]=4 2069 B11R1.222 CCC(c1ccccc1Cl)N 1P00CMK0 [0,1,0,0,1,0|2,0,0]=4 2070 B11R1.222 CCC(c1ccccc1F)N 1P00I3UW [0,1,0,0,1,0|2,0,0]=4 2071 B11R1.222 CCC(c1ccccc1N)C 1P00D8X4 [0,1,0,0,1,0|1,0,0]=3 2072 B11R1.222 CCC(c1ccccc1O)C 1P0042T9 [0,1,0,0,1,0|1,0,0]=3 2073 B11R1.222 CCC(c1ccccc1O)N 1P01AHNC [0,1,0,0,1,0|2,0,0]=4 2074 B11R1.222 CCN(c1ccccc1N)C 1P00C5P0 [0,1,0,0,1,0|2,0,0]=4 2075 B11R1.222 CCN(c1ccccc1N)C 1P0285MY [0,1,0,0,1,0|2,0,0]=4 2076 B11R1.222 CC[C@@H](c1ccccc1Cl)N 1P003BYO [0,1,0,0,1,0|2,0,0]=4 2077 B11R1.222 CC[C@@H](c1ccccc1F)N 1P000VZ2 [0,1,0,0,1,0|2,0,0]=4 2078 B11R1.222 CC[C@@H](c1ccccc1F)N 1P0090C3 [0,1,0,0,1,0|2,0,0]=4 2079 B11R1.222 CC[C@@H](c1ccccc1O)N 1P00A0AB [0,1,0,0,1,0|2,0,0]=4 2080 B11R1.222 CC[C@H](c1ccccc1Br)N 1P02029L [0,1,0,0,1,0|2,0,0]=4 2081 B11R1.222 CC[C@H](c1ccccc1C)N 1P004QN9 [0,1,0,0,1,0|2,0,0]=4 2082 B11R1.222 CC[C@H](c1ccccc1F)N 1P000DPV [0,1,0,0,1,0|2,0,0]=4 2083 B11R1.222 CNC(=N)c1ccccc1Cl 1P01BA7J [0,1,0,0,1,0|1,0,1]=4 2084 B11R1.222 CNC(=O)c1ccccc1Br 1P00EAJD [0,1,0,0,1,0|1,0,1]=4 2085 B11R1.222 CNC(=O)c1ccccc1Cl 1P007ICE [0,1,0,0,1,0|1,0,1]=4 2086 B11R1.222 CNC(=O)c1ccccc1F 1P00DJ9S [0,1,0,0,1,0|1,0,1]=4 2087 B11R1.222 CNC(=O)c1ccccc1I 1P00IASP [0,1,0,0,1,0|1,0,1]=4 2088 B11R1.222 CNC(=O)c1ccccc1N 1P003H0C [0,1,0,0,1,0|1,0,1]=4 2089 B11R1.222 CNC(=O)c1ccccc1O 1P00AC9J [0,1,0,0,1,0|1,0,1]=4 2090 B11R1.222 CNC(=O)c1ccccc1S 1P002DAW [0,1,0,0,1,0|1,0,1]=4 2091 B11R1.222 CNC(c1ccccc1Br)C 1P00A09X [0,1,0,0,1,0|0,0,0]=2 2092 B11R1.222 CNC(c1ccccc1C)C 1P00CNDY [0,1,0,0,1,0|0,0,0]=2 2093 B11R1.222 CNC(c1ccccc1Cl)C 1P00DIDW [0,1,0,0,1,0|0,0,0]=2 2094 B11R1.222 CNC(c1ccccc1F)C 1P006G9Q [0,1,0,0,1,0|0,0,0]=2 2095 B11R1.222 CNC(c1ccccc1O)C 1P0096TK [0,1,0,0,1,0|0,0,0]=2 2096 B11R1.222 CNC(c1ccccc1O)C 1P019LPL [0,1,0,0,1,0|0,0,0]=2 2097 B11R1.222 CNC(c1cccnc1N)C 1P027TYU [0,1,0,0,1,0|1,0,0]=3 2098 B11R1.222 CNC(c1ncccc1Cl)C 1P028X11 [0,1,0,0,1,0|1,0,0]=3 2099 B11R1.222 CN[C@@H](c1ccccc1C)C 1P01BS4Q [0,1,0,0,1,0|0,0,0]=2 2100 B11R1.222 CN[C@@H](c1ccccc1Cl)C 1P0220O2 [0,1,0,0,1,0|0,0,0]=2 2101 B11R1.222 CN[C@H](c1ccccc1C)C 1P01BS6G [0,1,0,0,1,0|0,0,0]=2 2102 B11R1.222 CN[C@H](c1ccccc1Cl)C 1P01DE5S [0,1,0,0,1,0|0,0,0]=2 2103 B11R1.222 CN[C@H](c1ccccc1Cl)C 1P01DULO [0,1,0,0,1,0|0,0,0]=2 2104 B11R1.222 COC(c1ccccc1Br)C 1P0283AX [0,1,0,0,1,0|1,0,0]=3 2105 B11R1.222 CO[C@H](c1ncccc1Br)C 1P01XGLJ [0,1,0,0,1,0|2,0,0]=4 2106 B11R1.222 N#CC(c1ccccc1C)C 1P00EM68 [0,1,0,0,1,0|2,0,0]=4 2107 B11R1.222 N#CC(c1ccccc1Cl)C 1P0059NE [0,1,0,0,1,0|2,0,0]=4 2108 B11R1.222 O=CC(c1ccccc1Br)C 1P0288HD [0,1,0,0,1,0|2,0,0]=4 2109 B11R1.222 O=CC(c1ccccc1C)C 1P028W93 [0,1,0,0,1,0|2,0,0]=4 2110 B11R1.222 O=CC(c1ccccc1Cl)C 1P02892X [0,1,0,0,1,0|2,0,0]=4 2111 B11R1.222 O=CC(c1ccccc1F)C 1P024Q0P [0,1,0,0,1,0|2,0,0]=4 2112 B11R1.222 O=CC(c1ccccc1I)C 1P028ELW [0,1,0,0,1,0|2,0,0]=4 2113 B11R1.30 CCNC(Cc1cccs1)C 1P01XHUD [0,1,0,0,1,0|1,0,0]=3 2114 B11R1.30 CCNC(Cc1cscc1)C 1P01AG8U [0,1,0,0,1,0|1,0,0]=3 2115 B11R1.30 NCCC(Cc1cccs1)C 1P027XXV [0,1,0,0,1,0|2,0,0]=4 2116 B11R1.31 CNC(C(=O)c1cocc1)C 1P028S87 [0,1,0,0,1,0|1,0,1]=4 2117 B11R1.39 CNC(Cc1ccc(s1)C)C 1P01XHUZ [0,1,0,0,1,0|1,0,0]=3 2118 B13R1.11 CC(CC(=O)c1ccccc1)C#N 1P01BAF3 [0,1,0,0,0,1|2,0,0]=4 2119 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1P002BKI [0,1,0,0,0,1|1,0,1]=4 2120 B13R1.11 CNC(=O)CC(c1ccccc1)N 1P027UEL [0,1,0,0,0,1|1,0,1]=4 2121 B13R1.14 CCC(NCc1ccc(cc1)Br)C 1P00J238 [0,1,0,0,0,1|1,0,0]=3 2122 B13R1.14 CCC(NCc1ccc(cc1)C)C 1P0091DB [0,1,0,0,0,1|1,0,0]=3 2123 B13R1.14 CCC(NCc1ccc(cc1)Cl)C 1P00J23F [0,1,0,0,0,1|1,0,0]=3 2124 B13R1.14 CCC(NCc1ccc(cc1)F)C 1P00J25A [0,1,0,0,0,1|1,0,0]=3 2125 B13R1.14 CNC(=O)CCc1ccc(cc1)N 1P00FDOQ [0,1,0,0,0,1|1,0,1]=4 2126 B13R1.14 CNC(=O)COc1ccc(cc1)Br 1P008FCS [0,1,0,0,0,1|1,0,1]=4 2127 B13R1.14 CNC(=O)COc1ccc(cc1)N 1P01ABI9 [0,1,0,0,0,1|1,0,1]=4 2128 B13R1.14 CNC(=O)COc1ccc(cc1)O 1P01AIX0 [0,1,0,0,0,1|1,0,1]=4 2129 B13R1.14 CNC(CCc1ccc(cc1)O)C 1P01FI9V [0,1,0,0,0,1|0,0,0]=2 2130 B13R1.14 COC(COc1ccc(cc1)N)C 1P027TW8 [0,1,0,0,0,1|1,0,0]=3 2131 B13R1.15 CCC(NCc1cccc(c1)Br)C 1P00J4H5 [0,1,0,0,0,1|1,0,0]=3 2132 B13R1.15 CCC(NCc1cccc(c1)Cl)C 1P00J4JO [0,1,0,0,0,1|1,0,0]=3 2133 B13R1.15 CNC(=O)CCc1cccc(c1)N 1P0091EZ [0,1,0,0,0,1|1,0,1]=4 2134 B13R1.15 CNC(=O)CNc1cccc(c1)F 1P01AAES [0,1,0,0,0,1|1,0,1]=4 2135 B13R1.15 CNC(=O)COc1cccc(c1)Br 1P019V9L [0,1,0,0,0,1|1,0,1]=4 2136 B13R1.15 CNC(=O)COc1cccc(c1)N 1P019N6H [0,1,0,0,0,1|1,0,1]=4 2137 B13R1.15 CNC(=O)COc1cccc(c1)O 1P01A4B6 [0,1,0,0,0,1|1,0,1]=4 2138 B13R1.15 N#CC(CNc1cccc(c1)C)C 1P01C0KU [0,1,0,0,0,1|2,0,0]=4 2139 B13R1.15 OCC(NCc1cccc(c1)Br)C 1P01AZ9K [0,1,0,0,0,1|2,0,0]=4 2140 B13R1.42 C=CCC(NCc1ccccc1)C 1P028ZH0 [0,1,0,0,0,1|1,0,1]=4 2141 B13R1.42 CCCC(CCc1ccccc1)N 1P01AL95 [0,1,0,0,0,1|2,0,0]=4 2142 B13R1.42 CCCC(NCc1ccccc1)C 1P00EEGN [0,1,0,0,0,1|1,0,0]=3 2143 B13R1.42 CCCC(SCc1ccccc1)C 1P01FG0B [0,1,0,0,0,1|1,0,0]=3 2144 B13R1.42 CCNC(=O)OCc1ccccc1 1P006MWN [0,1,0,0,0,1|1,0,1]=4 2145 B13R1.42 CNCC(=O)NCc1ccccc1 1P01AK8A [0,1,0,0,0,1|1,0,1]=4 2146 B13R1.42 CNCC(=O)NCc1ccccc1 1P01C411 [0,1,0,0,0,1|1,0,1]=4 2147 B13R1.42 CNCC(=O)OCc1ccccc1 1P00BY4N [0,1,0,0,0,1|1,0,1]=4 2148 B13R1.42 CNCC(=O)OCc1ccccc1 1P00DBF3 [0,1,0,0,0,1|1,0,1]=4 2149 B13R1.42 CNNC(=O)OCc1ccccc1 1P01BVUI [0,1,0,0,0,1|1,0,1]=4 2150 B13R1.42 ClCCC(OCc1ccccc1)C 1P00H53W [0,1,0,0,0,1|1,0,0]=3 2151 B13R1.42 NCCN(CCc1ccccc1)C 1P001TZY [0,1,0,0,0,1|2,0,0]=4 2152 B13R1.42 OCCC(CCc1ccccc1)C 1P00DEIU [0,1,0,0,0,1|1,0,0]=3 2153 B13R1.42 OCCC(NCc1ccccc1)C 1P01A4R6 [0,1,0,0,0,1|1,0,0]=3 2154 B13R1.42 OCCC(OCc1ccccc1)C 1P01B283 [0,1,0,0,0,1|1,0,0]=3 2155 B13R1.135 CNC(=O)C(Cc1ccccc1)N 1P00A2VS [0,1,0,0,0,1|1,0,1]=4 2156 B13R1.135 CNC(=O)N(Cc1ccccc1)C 1P00EB3T [0,1,0,0,0,1|1,0,1]=4 2157 B13R1.135 CNC(=O)[C@@H](Cc1ccccc1)N 1P00HXOX [0,1,0,0,0,1|1,0,1]=4 2158 B13R1.135 CNC(=O)[C@@H](Cc1ccccc1)N 1P01JLY2 [0,1,0,0,0,1|1,0,1]=4 2159 B13R1.135 CNC(=O)[C@H](Cc1ccccc1)N 1P003CX3 [0,1,0,0,0,1|1,0,1]=4 2160 B13R1.135 CON(C(=O)Cc1ccccc1)C 1P005TVV [0,1,0,0,0,1|2,0,0]=4 2161 B13R1.135 NCC(N(Cc1ccccc1)C)C 1P01AHNP [0,1,0,0,0,1|2,0,0]=4 2162 B13R1.254 BrCC(OCc1ccccc1)(C)C 1P0291VD [0,1,0,0,0,1|2,0,0]=4 2163 B13R1.254 C#CC(OCc1ccccc1)(C)C 1P00I9IP [0,1,0,0,0,1|1,0,1]=4 2164 B13R1.254 CCC(CCc1ccccc1)(O)C 1P003F2V [0,1,0,0,0,1|1,0,0]=3 2165 B13R1.254 N#CC(CCc1ccccc1)(N)C 1P019NRT [0,1,0,0,0,1|2,0,0]=4 2166 B13R1.254 O=CC(OCc1ccccc1)(C)C 1P028M9V [0,1,0,0,0,1|2,0,0]=4 2167 B13R1.254 OCC(COc1ccccc1)(C)C 1P01B9R5 [0,1,0,0,0,1|2,0,0]=4 2168 B13R1.254 OCC(COc1ccccc1)(N)C 1P01EMV2 [0,1,0,0,0,1|2,0,0]=4 2169 B13R1.254 OCC(NCc1ccccc1)(C)C 1P000829 [0,1,0,0,0,1|2,0,0]=4 2170 B13R1.254 OCC(NCc1ccccc1)(C)C 1P00J4G5 [0,1,0,0,0,1|2,0,0]=4 2171 B13R1.254 OCC(OCc1ccccc1)(C)C 1P003H1X [0,1,0,0,0,1|2,0,0]=4 2172 B13R1.351 CC(C(=O)C)OCc1ccccc1 1P00HCXZ [0,1,0,0,0,1|1,0,0]=3 2173 B13R1.351 CC(C(=O)N)OCc1ccccc1 1P006Q2E [0,1,0,0,0,1|2,0,0]=4 2174 B13R1.351 CC(C(=O)O)CCc1ccccc1 1P00AMJK [0,1,0,0,0,1|2,0,0]=4 2175 B13R1.351 CC(C(=O)O)COc1ccccc1 1P007YAE [0,1,0,0,0,1|2,0,0]=4 2176 B13R1.351 CC(C(=O)O)CSc1ccccc1 1P01AHRV [0,1,0,0,0,1|2,0,0]=4 2177 B13R1.351 CC(C(=O)O)NCc1ccccc1 1P00J4AP [0,1,0,0,0,1|2,0,0]=4 2178 B13R1.351 CC(C(=O)O)OCc1ccccc1 1P00FCF1 [0,1,0,0,0,1|2,0,0]=4 2179 B13R1.351 CC(C(C)C)NCc1ccccc1 1P00J2DK [0,1,0,0,0,1|1,0,0]=3 2180 B13R1.351 CC(C(O)C)NCc1ccccc1 1P02028F [0,1,0,0,0,1|1,0,0]=3 2181 B13R1.351 CC(C(O)C)OCc1ccccc1 1P005O6Q [0,1,0,0,0,1|1,0,0]=3 2182 B13R1.351 CN(C(=O)CNc1ccccc1)C 1P019TOB [0,1,0,0,0,1|1,0,1]=4 2183 B13R1.351 CN(C(=O)OCc1ccccc1)C 1P0085UB [0,1,0,0,0,1|1,0,1]=4 2184 B13R1.351 CN(C(=O)OCc1ccccc1)N 1P007A13 [0,1,0,0,0,1|1,0,1]=4 2185 B13R1.351 CN(C(=O)OCc1ccccc1)O 1P0293VD [0,1,0,0,0,1|1,0,1]=4 2186 B13R1.351 CN(C(=S)NCc1ccccc1)C 1P019MN6 [0,1,0,0,0,1|1,0,1]=4 2187 B13R1.351 CN(C(=S)NCc1ccccc1)N 1P002LFM [0,1,0,0,0,1|1,0,1]=4 2188 B13R1.351 CN(C(=S)SCc1ccccc1)C 1P003OLR [0,1,0,0,0,1|1,0,1]=4 2189 B13R1.351 C[C@@H](C(=O)O)NCc1ccccc1 1P005IJS [0,1,0,0,0,1|2,0,0]=4 2190 B13R1.351 C[C@@H](C(=O)O)OCc1ccccc1 1P00C6Y4 [0,1,0,0,0,1|2,0,0]=4 2191 B13R1.351 C[C@H](C(=O)O)NCc1ccccc1 1P00ED5E [0,1,0,0,0,1|2,0,0]=4 2192 B13R1.351 C[C@H](C(=O)O)OCc1ccccc1 1P0003FL [0,1,0,0,0,1|2,0,0]=4 2193 B13R1.351 C[C@H]([C@H](O)C)OCc1ccccc1 1P000MCR [0,1,0,0,0,1|1,0,0]=3 2194 B13R1.351 OC(C(C)C)CCc1ccccc1 1P006KB8 [0,1,0,0,0,1|2,0,0]=4 2195 B13R1.351 OC(C(C)C)CSc1ccccc1 1P01A5JX [0,1,0,0,0,1|2,0,0]=4 2196 B13R1.417 BrCC(OCc1ccccc1)CBr 1P00C71R [0,1,0,0,0,1|2,0,0]=4 2197 B13R1.417 CCC(NCc1ccccc1)CO 1P01AZYD [0,1,0,0,0,1|1,0,0]=3 2198 B13R1.417 CCC(NCc1ccccn1)CO 1P0088DD [0,1,0,0,0,1|2,0,0]=4 2199 B13R1.417 CCC(NCc1ccccn1)CO 1P00J4ED [0,1,0,0,0,1|2,0,0]=4 2200 B13R1.417 CCC(NCc1cccnc1)CO 1P00J4DR [0,1,0,0,0,1|2,0,0]=4 2201 B13R1.417 CCC(NCc1ccncc1)CO 1P004OD7 [0,1,0,0,0,1|2,0,0]=4 2202 B13R1.417 CCC(NCc1ccncc1)CO 1P00J4DF [0,1,0,0,0,1|2,0,0]=4 2203 B13R1.417 CC[C@@H](NCc1ccccc1)CO 1P003CJD [0,1,0,0,0,1|1,0,0]=3 2204 B13R1.417 CC[C@H](NCc1ccccc1)CO 1P002SLU [0,1,0,0,0,1|1,0,0]=3 2205 B13R1.417 COC(CNc1ccccc1)OC 1P00BJI9 [0,1,0,0,0,1|1,0,0]=3 2206 B13R1.417 OCC(OCc1ccccc1)CO 1P001EVZ [0,1,0,0,0,1|2,0,0]=4 2207 B13R1.528 CCC(COc1ccccc1F)N 1P01AJ2S [0,1,0,0,0,1|2,0,0]=4 2208 B13R1.528 CCC(NCc1ccccc1Br)C 1P00J24V [0,1,0,0,0,1|1,0,0]=3 2209 B13R1.528 CCC(NCc1ccccc1C)C 1P00J24Z [0,1,0,0,0,1|1,0,0]=3 2210 B13R1.528 CCC(NCc1ccccc1Cl)C 1P00909W [0,1,0,0,0,1|1,0,0]=3 2211 B13R1.528 CNC(=O)CCc1ccccc1N 1P008VO8 [0,1,0,0,0,1|1,0,1]=4 2212 B13R1.528 CNC(=O)CNc1ccccc1C 1P01A95Z [0,1,0,0,0,1|1,0,1]=4 2213 B13R1.528 CNC(=O)COc1ccccc1Br 1P004JBD [0,1,0,0,0,1|1,0,1]=4 2214 B13R1.528 N#CC(CSc1ccccc1N)C 1P01AH9W [0,1,0,0,0,1|2,0,0]=4 2215 B13R1.528 OCC(NCc1ccccc1Cl)C 1P019V1V [0,1,0,0,0,1|2,0,0]=4 2216 B13R1.528 OCC(NCc1ccccc1Cl)C 1P0293JD [0,1,0,0,0,1|2,0,0]=4 2217 B13R1.19 CC(Cc1ccc(cc1)Br)N=C=O 1P01A42S [0,2,0,0,0,0|0,0,2]=4 2218 B13R1.19 CCCC(Cc1ccc(cc1)F)N 1P01WALI [0,2,0,0,0,0|2,0,0]=4 2219 B13R1.19 CCNC(=O)Cc1ccc(cc1)N 1P019MGR [0,2,0,0,0,0|1,0,1]=4 2220 B13R1.19 CCNC(Cc1ccc(cc1)Cl)C 1P027T1N [0,2,0,0,0,0|0,0,0]=2 2221 B13R1.19 CCOC(Oc1ccc(cc1)Br)C 1P01E37W [0,2,0,0,0,0|2,0,0]=4 2222 B13R1.19 ClCCN(Cc1ccc(cc1)F)C 1P01C0SI [0,2,0,0,0,0|2,0,0]=4 2223 B13R1.19 NCCN(Cc1ccc(cc1)F)C 1P019UGP [0,2,0,0,0,0|2,0,0]=4 2224 B13R1.20 CCCC(Oc1cccc(c1)N)C 1P019U77 [0,2,0,0,0,0|2,0,0]=4 2225 B13R1.20 OCCN(Cc1cccc(c1)N)C 1P00J2GZ [0,2,0,0,0,0|2,0,0]=4 2226 B13R1.44 CC(Cc1ccccc1)NCC#C 1P002IEE [0,2,0,0,0,0|0,0,0]=2 2227 B13R1.44 CC(Cc1ccccc1)NCC#C 1P019SIY [0,2,0,0,0,0|0,0,0]=2 2228 B13R1.44 CN(Cc1ccccc1)CCC#C 1P028TBB [0,2,0,0,0,0|2,0,0]=4 2229 B13R1.44 CNCCN(Cc1ccccc1)C 1P0006OR [0,2,0,0,0,0|1,0,0]=3 2230 B13R1.44 ClCCCN(Cc1ccccc1)C 1P007JAU [0,2,0,0,0,0|2,0,0]=4 2231 B13R1.44 NCCCN(Cc1ccccc1)C 1P001AQK [0,2,0,0,0,0|2,0,0]=4 2232 B13R1.44 NCCNC(=O)Cc1ccccc1 1P01A8X1 [0,2,0,0,0,0|1,0,1]=4 2233 B13R1.44 NCCNC(=O)Cc1ccccc1 1P028K6U [0,2,0,0,0,0|1,0,1]=4 2234 B13R1.44 OCCCC(Cc1ccccc1)N 1P00GBUB [0,2,0,0,0,0|2,0,0]=4 2235 B13R1.47 CCCC(C(c1ccccc1)O)N 1P01BGVD [0,2,0,0,0,0|2,0,0]=4 2236 B13R1.47 CCNC(C(c1ccccc1)O)C 1P01ALKS [0,2,0,0,0,0|0,0,0]=2 2237 B13R1.79 CCC(Cc1ccccc1)NCC 1P01A067 [0,2,0,0,0,0|0,0,0]=2 2238 B13R1.79 CNC(Cc1ccccc1)CC#C 1P01BBHX [0,2,0,0,0,0|0,0,0]=2 2239 B13R1.79 CNC(Cc1ccccc1)COC 1P01BD9Y [0,2,0,0,0,0|0,0,0]=2 2240 B13R1.79 NCCN(Cc1ccccc1)CC 1P00I61A [0,2,0,0,0,0|2,0,0]=4 2241 B13R1.348 CC(Cc1ccccc1)NC(=O)C 1P001IX1 [0,2,0,0,0,0|0,0,0]=2 2242 B13R1.348 CC(Cc1ccccc1)OC(=O)C 1P002LSM [0,2,0,0,0,0|1,0,0]=3 2243 B13R1.348 CC(Nc1ccccc1)CC(C)C 1P01AY2J [0,2,0,0,0,0|2,0,0]=4 2244 B13R1.348 CN(CC(=O)Cc1ccccc1)C 1P01C1NO [0,2,0,0,0,0|1,0,1]=4 2245 B13R1.348 C[C@H](CN(Cc1ccccc1)C)N 1P01BBYH [0,2,0,0,0,0|2,0,0]=4 2246 B13R1.348 FC(CN(Cc1ccccc1)C)F 1P008PPN [0,2,0,0,0,0|2,0,0]=4 2247 B13R1.348 NC(Cc1ccccc1)CC(=C)C 1P0288EN [0,2,0,0,0,0|2,0,0]=4 2248 B13R1.348 NC(Cc1ccccc1)CC(C)C 1P028JFU [0,2,0,0,0,0|2,0,0]=4 2249 B13R1.348 NC(Cc1ccccc1)CN(C)C 1P00CFS2 [0,2,0,0,0,0|1,0,0]=3 2250 B13R1.348 N[C@@H](Cc1ccccc1)CN(C)C 1P00BHRI [0,2,0,0,0,0|1,0,0]=3 2251 B13R1.348 OC(Cc1ccccc1)CC(C)C 1P003M6G [0,2,0,0,0,0|2,0,0]=4 2252 B13R1.348 O[C@H](Cc1ccccc1)CN(C)C 1P027Y8E [0,2,0,0,0,0|1,0,0]=3 2253 B13R1.470 CCOC(Oc1ccccc1O)C 1P00D8OC [0,2,0,0,0,0|2,0,0]=4 2254 B13R1.470 COCC(Nc1ccccc1N)C 1P01BHND [0,2,0,0,0,0|2,0,0]=4 2255 B13R1.470 O=C=NC(Cc1ccccc1Br)C 1P019YRD [0,2,0,0,0,0|0,0,2]=4 2256 B13R1.1327 NCCC(Cc1ccccc1)(O)C 1P028GIO [0,2,0,0,0,0|1,0,0]=3 2257 B13R1.1327 OCC[N+](Cc1ccccc1)(C)C 1P0069JB [0,2,0,0,0,0|2,0,0]=4 2258 B13R1.21 CCC(C(c1ccc(cc1)Cl)N)C 1P019Q9U [0,2,0,0,0,0|1,0,0]=3 2259 B13R1.21 CCC(C(c1ccc(cc1)Cl)O)N 1P01B774 [0,2,0,0,0,0|2,0,0]=4 2260 B13R1.21 CNC(=O)C(c1ccc(cc1)C)N 1P028IPG [0,2,0,0,0,0|1,0,1]=4 2261 B13R1.21 CNC(C(=O)c1ccc(cc1)Cl)C 1P01EPPF [0,2,0,0,0,0|0,0,1]=3 2262 B13R1.21 CNC(C(=O)c1ccc(cc1)N)C 1P0282DK [0,2,0,0,0,0|0,0,1]=3 2263 B13R1.21 CNC(C(=O)c1ccc(cn1)Br)C 1P02831X [0,2,0,0,0,0|1,0,1]=4 2264 B13R1.21 CNC(C(=O)c1ccc(cn1)C)C 1P0285T1 [0,2,0,0,0,0|1,0,1]=4 2265 B13R1.21 CNC(C(=O)c1ccc(nc1)C)C 1P0283V9 [0,2,0,0,0,0|1,0,1]=4 2266 B13R1.21 CNC(C(c1ccc(cc1)Cl)C)C 1P019U3M [0,2,0,0,0,0|0,0,0]=2 2267 B13R1.21 CN[C@H]([C@@H](c1ccc(cc1)F)O)C 1P00GB4X [0,2,0,0,0,0|0,0,0]=2 2268 B13R1.21 OC(C(C#N)C)c1ccc(cc1)Cl 1P01C2YV [0,2,0,0,0,0|2,0,0]=4 2269 B13R1.21 OCC(C(c1ccc(cc1)Br)N)C 1P01BG2G [0,2,0,0,0,0|2,0,0]=4 2270 B13R1.22 CCC(C(c1cccc(c1)Br)C)N 1P01DVTP [0,2,0,0,0,0|2,0,0]=4 2271 B13R1.86 CCC(C(c1ccccc1)N)CC 1P00IC3C [0,2,0,0,0,0|1,0,0]=3 2272 B13R1.86 COC(C(c1ccccc1)N)OC 1P01BI5Y [0,2,0,0,0,0|1,0,0]=3 2273 B13R1.86 COC(C(c1cccnc1)N)OC 1P01ACLA [0,2,0,0,0,0|2,0,0]=4 2274 B13R1.86 NCC(C(c1ccccc1)C)CO 1P01BHLZ [0,2,0,0,0,0|2,0,0]=4 2275 B13R1.152 CC(C(=O)c1ccccc1)C(=O)C 1P00FAR0 [0,2,0,0,0,0|1,0,1]=4 2276 B13R1.152 ClC(C(=O)N(C)C)c1ccccc1 1P00EJBV [0,2,0,0,0,0|1,0,1]=4 2277 B13R1.152 NC(C(=O)N(C)C)c1ccccc1 1P00J2JT [0,2,0,0,0,0|1,0,1]=4 2278 B13R1.152 NC(C(C(=O)O)C)c1ccccc1 1P019T7T [0,2,0,0,0,0|2,0,0]=4 2279 B13R1.152 NC(c1ccccc1)C(C(C)C)O 1P01B6X0 [0,2,0,0,0,0|2,0,0]=4 2280 B13R1.152 N[C@H](C(=O)N(C)C)c1ccccc1 1P00AC3R [0,2,0,0,0,0|1,0,1]=4 2281 B13R1.152 OC(C(=O)N(C)C)c1ccccc1 1P01FPBL [0,2,0,0,0,0|1,0,1]=4 2282 B13R1.152 OC(c1ccccc1)C(C(C)C)N 1P01BGHU [0,2,0,0,0,0|2,0,0]=4 2283 B13R1.152 OC(c1ccccc1)C(C(N)C)N 1P01BRYI [0,2,0,0,0,0|2,0,0]=4 2284 B13R1.152 O[C@@H](C(=O)N(C)C)c1ccccc1 1P01K0VK [0,2,0,0,0,0|1,0,1]=4 2285 B13R1.152 O[C@H](c1ccccc1)[C@H](C(C)C)N 1P002ISC [0,2,0,0,0,0|2,0,0]=4 2286 B13R1.263 CCC(C(c1ccccc1)N)(C)C 1P028KC4 [0,2,0,0,0,0|1,0,0]=3 2287 B13R1.263 CNS(=O)(=O)C(c1ccccc1)C 1P01BC9J [0,2,0,0,0,0|2,0,0]=4 2288 B13R1.263 CNS(=O)(=O)[C@@H](c1ccccc1)C 1P028540 [0,2,0,0,0,0|2,0,0]=4 2289 B13R1.263 COC(C(c1ccccc1)N)(C)C 1P027WOY [0,2,0,0,0,0|1,0,0]=3 2290 B13R1.263 OCC(C(c1ccccc1)N)(C)C 1P00B9IK [0,2,0,0,0,0|2,0,0]=4 2291 B13R1.696 CCC(C(c1ccccc1F)O)N 1P019T3A [0,2,0,0,0,0|2,0,0]=4 2292 B13R1.696 CNC(=O)C(c1ccccc1C)N 1P028T6R [0,2,0,0,0,0|1,0,1]=4 2293 B13R1.696 CNC(=O)C(c1ccccc1F)N 1P028SU6 [0,2,0,0,0,0|1,0,1]=4 2294 B13R1.708 CCC(C(c1ccccc1)(C)C)N 1P01AL2K [0,2,0,0,0,0|2,0,0]=4 2295 B13R1.708 CCC(C(c1ccccc1)(C)C)O 1P01AKNV [0,2,0,0,0,0|2,0,0]=4 2296 B13R1.708 CNC(=O)C(c1ccccc1)(C)C 1P01EM2D [0,2,0,0,0,0|1,0,1]=4 2297 B13R1.133 CC(C(=O)N)Cc1ccc(cc1)Br 1P028D8C [0,2,0,0,0,0|2,0,0]=4 2298 B13R1.133 CC(C(=O)O)Cc1ccc(cc1)Br 1P00FGV0 [0,2,0,0,0,0|2,0,0]=4 2299 B13R1.133 CC(C(=O)O)Cc1ccc(cc1)C 1P01A5PZ [0,2,0,0,0,0|2,0,0]=4 2300 B13R1.133 CC(C(=O)O)Cc1ccc(cc1)Cl 1P008SRD [0,2,0,0,0,0|2,0,0]=4 2301 B13R1.133 CC(C(=O)O)Cc1ccc(cc1)F 1P00BCD1 [0,2,0,0,0,0|2,0,0]=4 2302 B13R1.133 CC(N(C)C)Cc1ccc(cc1)N 1P027V36 [0,2,0,0,0,0|0,0,0]=2 2303 B13R1.133 CC(N(Cc1ccc(cc1)N)C)C 1P01C67E [0,2,0,0,0,0|2,0,0]=4 2304 B13R1.133 CN(C(=O)Cc1ccc(cc1)Br)C 1P002B2X [0,2,0,0,0,0|1,0,1]=4 2305 B13R1.133 CN(C(=O)Cc1ccc(cc1)N)C 1P005JH9 [0,2,0,0,0,0|1,0,1]=4 2306 B13R1.133 C[C@@H](C(=O)O)Cc1ccc(cc1)C 1P028OKS [0,2,0,0,0,0|2,0,0]=4 2307 B13R1.133 C[C@@H](C(=O)O)Cc1ccc(cc1)F 1P028P3U [0,2,0,0,0,0|2,0,0]=4 2308 B13R1.133 C[C@H](C(=O)O)Cc1ccc(cc1)C 1P028PRH [0,2,0,0,0,0|2,0,0]=4 2309 B13R1.133 C[C@H](C(=O)O)Cc1ccc(cc1)F 1P028ORT [0,2,0,0,0,0|2,0,0]=4 2310 B13R1.133 NC(C(=O)C)Cc1ccc(cc1)O 1P0291AI [0,2,0,0,0,0|2,0,0]=4 2311 B13R1.133 NC(C(C)C)Cc1ccc(cc1)Cl 1P01AAN0 [0,2,0,0,0,0|2,0,0]=4 2312 B13R1.133 NC(C(C)C)Cc1ccc(cc1)F 1P019TEB [0,2,0,0,0,0|2,0,0]=4 2313 B13R1.133 OC(=O)C(Cc1ccc(cc1)O)C 1P01NX3T [0,2,0,0,0,0|2,0,0]=4 2314 B13R1.133 OC(C(C)C)Cc1ccc(cc1)Cl 1P003ATZ [0,2,0,0,0,0|2,0,0]=4 2315 B13R1.133 OC(C(C)C)Cc1ccc(cc1)F 1P019STE [0,2,0,0,0,0|2,0,0]=4 2316 B13R1.148 CC(=O)C(Sc1cccc(c1)Cl)C 1P01C0JR [0,2,0,0,0,0|2,0,0]=4 2317 B13R1.148 CC(C(Cc1cccc(c1)Br)O)N 1P0284GN [0,2,0,0,0,0|2,0,0]=4 2318 B13R1.148 CC(C(Cc1cccc(c1)C)O)O 1P027X5P [0,2,0,0,0,0|2,0,0]=4 2319 B13R1.148 Nc1cccc(c1)CC(=O)N(C)C 1P00EE81 [0,2,0,0,0,0|1,0,1]=4 2320 B13R1.148 Nc1cccc(c1)CN(C(=O)C)C 1P019N3Y [0,2,0,0,0,0|2,0,0]=4 2321 B13R1.148 OC(=O)C(Cc1cccc(c1)Br)C 1P009MCU [0,2,0,0,0,0|2,0,0]=4 2322 B13R1.148 OC(=O)C(Cc1cccc(c1)Cl)C 1P01A37K [0,2,0,0,0,0|2,0,0]=4 2323 B13R1.148 OC(=O)C(Cc1cccc(c1)F)C 1P019YGT [0,2,0,0,0,0|2,0,0]=4 2324 B13R1.148 OC(=O)C(Cc1cccc(c1)O)C 1P028W9W [0,2,0,0,0,0|2,0,0]=4 2325 B13R1.202 CC(=O)C(Cc1ccccc1F)Br 1P01BEZ8 [0,2,0,0,0,0|2,0,0]=4 2326 B13R1.202 CC(=O)N(Cc1ccccc1N)C 1P019MW3 [0,2,0,0,0,0|2,0,0]=4 2327 B13R1.202 CC(C(Cc1ccccc1Br)O)C 1P01AJS8 [0,2,0,0,0,0|2,0,0]=4 2328 B13R1.202 CC(C(Oc1ccccc1F)C)N 1P01AIRN [0,2,0,0,0,0|2,0,0]=4 2329 B13R1.202 CC(C(Oc1ccccc1F)C)N 1P028CAD [0,2,0,0,0,0|2,0,0]=4 2330 B13R1.202 O=C(N(C)C)Cc1ccccc1N 1P00GVU6 [0,2,0,0,0,0|1,0,1]=4 2331 B13R1.202 OC(=O)C(Cc1ccccc1C)C 1P01BVDW [0,2,0,0,0,0|2,0,0]=4 2332 B13R1.202 OC(=O)C(Cc1ccccc1Cl)C 1P00GTAI [0,2,0,0,0,0|2,0,0]=4 2333 B13R1.202 OC(=O)C(Cc1ccccc1F)C 1P00VSXU [0,2,0,0,0,0|2,0,0]=4 2334 B13R1.202 OC(=O)[C@@H](Cc1ccccc1F)C 1P028OBL [0,2,0,0,0,0|2,0,0]=4 2335 B13R1.202 OC(=O)[C@H](Cc1ccccc1F)C 1P028OET [0,2,0,0,0,0|2,0,0]=4 2336 B13R1.353 CC(C(F)(F)F)Cc1ccccc1 1P00H8AB [0,2,0,0,0,0|2,0,0]=4 2337 B13R1.353 CC(S(=O)(=O)Cl)Cc1ccccc1 1P01B3IK [0,2,0,0,0,0|2,0,0]=4 2338 B13R1.353 NC(C(C)(C)C)Cc1ccccc1 1P00634D [0,2,0,0,0,0|2,0,0]=4 2339 B13R1.353 NC(C(C)(C)C)Cc1ccccc1 1P01AJBO [0,2,0,0,0,0|2,0,0]=4 2340 B13R1.353 OC(C(C)(C)C)Cc1ccccc1 1P01AAA1 [0,2,0,0,0,0|2,0,0]=4 2341 B13R1.418 CCC(C(=O)O)Cc1ccccc1 1P00EIYY [0,2,0,0,0,0|1,0,1]=4 2342 B13R1.418 CNC(C(=O)O)Cc1ccccc1 1P01AFYG [0,2,0,0,0,0|0,0,1]=3 2343 B13R1.418 CN[C@@H](C(=O)O)Cc1ccccc1 1P003AN5 [0,2,0,0,0,0|0,0,1]=3 2344 B13R1.418 CN[C@H](C(=O)O)Cc1ccccc1 1P00BDXQ [0,2,0,0,0,0|0,0,1]=3 2345 B13R1.418 CN[C@H](C(=O)O)Cc1ccccc1 1P00C1NN [0,2,0,0,0,0|0,0,1]=3 2346 B13R1.418 COC(C(=O)O)Cc1ccccc1 1P018Y6W [0,2,0,0,0,0|1,0,1]=4 2347 B13R1.418 NCC(C(=O)O)Cc1ccccc1 1P003FFK [0,2,0,0,0,0|2,0,0]=4 2348 B13R1.418 NCC(C(=O)O)Cc1ccccc1 1P01AL6Q [0,2,0,0,0,0|2,0,0]=4 2349 B13R1.418 NCC(C(C)C)Cc1ccccc1 1P01B254 [0,2,0,0,0,0|1,0,0]=3 2350 B13R1.418 NCC(C(C)C)Nc1ccccc1 1P019L1B [0,2,0,0,0,0|2,0,0]=4 2351 B13R1.418 NCC(N(C)C)Cc1ccccc1 1P019KDO [0,2,0,0,0,0|0,0,0]=2 2352 B13R1.418 NC[C@@H](C(=O)O)Cc1ccccc1 1P0092JM [0,2,0,0,0,0|2,0,0]=4 2353 B13R1.418 NC[C@@H](N(C)C)Cc1ccccc1 1P0281B9 [0,2,0,0,0,0|0,0,0]=2 2354 B13R1.418 NC[C@H](C(=O)O)Cc1ccccc1 1P000XNX [0,2,0,0,0,0|2,0,0]=4 2355 B13R1.418 NC[C@H](C(=O)O)Cc1ccccc1 1P0027UK [0,2,0,0,0,0|2,0,0]=4 2356 B13R1.418 NC[C@H](N(C)C)Cc1ccccc1 1P0289LE [0,2,0,0,0,0|0,0,0]=2 2357 B13R1.418 NNC(C(C)C)Cc1ccccc1 1P01AGE2 [0,2,0,0,0,0|1,0,0]=3 2358 B13R1.418 OCC(N(C)C)Cc1ccccc1 1P01DQLF [0,2,0,0,0,0|0,0,0]=2 2359 B13R1.418 OC[C@@H](N(C)C)Cc1ccccc1 1P027YEU [0,2,0,0,0,0|0,0,0]=2 2360 B13R1.418 OC[C@H](C(=O)O)Cc1ccccc1 1P000LK9 [0,2,0,0,0,0|2,0,0]=4 2361 B13R1.418 ONC(C(=O)O)Cc1ccccc1 1P01DZBK [0,2,0,0,0,0|1,0,1]=4 2362 B13R1.418 ON[C@@H](C(=O)O)Cc1ccccc1 1P01Q8H9 [0,2,0,0,0,0|1,0,1]=4 2363 B13R1.418 ON[C@H](C(=O)O)Cc1ccccc1 1P028YCX [0,2,0,0,0,0|1,0,1]=4 2364 B13R1.1073 CC(=O)C(Cc1ccccc1)(N)C 1P028JLC [0,2,0,0,0,0|1,0,0]=3 2365 B13R1.1073 CC(=O)C(Cc1ccccc1)(O)C 1P00DGHS [0,2,0,0,0,0|1,0,0]=3 2366 B13R1.1073 CC(C(Cc1ccccc1)(N)C)C 1P01C0GS [0,2,0,0,0,0|1,0,0]=3 2367 B13R1.1073 FC(C(Cc1ccccc1)(N)C)F 1P01EIQD [0,2,0,0,0,0|2,0,0]=4 2368 B13R1.1073 NC(=O)C(Cc1ccccc1)(N)C 1P01EIOE [0,2,0,0,0,0|2,0,0]=4 2369 B13R1.1073 OC(=O)C(Cc1ccccc1)(C)C 1P00EGQB [0,2,0,0,0,0|2,0,0]=4 2370 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C 1P003GT8 [0,2,0,0,0,0|2,0,0]=4 2371 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C 1P01BVVP [0,2,0,0,0,0|2,0,0]=4 2372 B13R1.1073 OC(=O)C(Cc1ccccc1)(O)C 1P01ALGG [0,2,0,0,0,0|2,0,0]=4 2373 B13R1.1073 OC(=O)[C@@](Cc1ccccc1)(N)C 1P001ZG7 [0,2,0,0,0,0|2,0,0]=4 2374 B13R1.1073 OC(=O)[C@@](Cc1ccccc1)(N)C 1P01EM4O [0,2,0,0,0,0|2,0,0]=4 2375 B13R1.1073 OC(=O)[C@](Cc1ccccc1)(N)C 1P002N3L [0,2,0,0,0,0|2,0,0]=4 2376 B13R1.1073 OC(=O)[C@](Cc1ccccc1)(O)C 1P001V9G [0,2,0,0,0,0|2,0,0]=4 2377 B13R1.5 CCC(Oc1ccc(cc1)C#N)C 1P00IEDO [0,2,0,0,0,0|2,0,0]=4 2378 B13R1.5 CCC(Oc1ccc(cc1)CN)C 1P00DE5U [0,2,0,0,0,0|2,0,0]=4 2379 B13R1.5 CCC(Sc1ccc(cc1)C#N)C 1P01C4YL [0,2,0,0,0,0|2,0,0]=4 2380 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 1P01C2RR [0,2,0,0,0,0|1,0,1]=4 2381 B13R1.5 NCC(Cc1ccc(cc1)OC)C 1P01A3JX [0,2,0,0,0,0|2,0,0]=4 2382 B13R1.145 BrCC(Cc1ccc(cc1)F)OC 1P01BVFT [0,2,0,0,0,0|1,0,0]=3 2383 B13R1.145 CCC(Cc1ccc(cc1)C)NC 1P019SK9 [0,2,0,0,0,0|0,0,0]=2 2384 B13R1.145 CCN(Cc1ccc(cc1)N)CC 1P0093OK [0,2,0,0,0,0|2,0,0]=4 2385 B13R1.145 CCN(Cc1ccc(cc1)N)CC 1P00EAN4 [0,2,0,0,0,0|2,0,0]=4 2386 B13R1.145 CNC(Cc1ccc(cc1)C)CF 1P028G31 [0,2,0,0,0,0|0,0,0]=2 2387 B13R1.145 CNC(Cc1ccc(cc1)F)C#C 1P01DVVD [0,2,0,0,0,0|0,0,1]=3 2388 B13R1.145 COC(Cc1ccc(cc1)C)CN 1P028BUG [0,2,0,0,0,0|1,0,0]=3 2389 B13R1.145 COC(Cc1ccc(cc1)F)OC 1P003LWN [0,2,0,0,0,0|1,0,0]=3 2390 B13R1.145 NCC(Cc1ccc(cc1)Br)CO 1P01BELL [0,2,0,0,0,0|2,0,0]=4 2391 B13R1.145 NCC(Cc1ccc(cc1)Br)OC 1P027XGS [0,2,0,0,0,0|1,0,0]=3 2392 B13R1.145 NCC(Cc1ccc(cc1)C)CO 1P01BDBR [0,2,0,0,0,0|2,0,0]=4 2393 B13R1.145 NCC(Cc1ccc(cc1)Cl)CO 1P019N8K [0,2,0,0,0,0|2,0,0]=4 2394 B13R1.145 NCC(Cc1ccc(cc1)Cl)CO 1P019TZE [0,2,0,0,0,0|2,0,0]=4 2395 B13R1.145 NCC(Cc1ccc(cc1)F)CO 1P019N8M [0,2,0,0,0,0|2,0,0]=4 2396 B13R1.145 NCC(Cc1ccc(cc1)F)CO 1P019SUU [0,2,0,0,0,0|2,0,0]=4 2397 B13R1.145 NCC(Cc1ccc(cc1)F)OC 1P02800E [0,2,0,0,0,0|1,0,0]=3 2398 B13R1.145 OCC(Cc1ccc(cc1)Br)C#N 1P01A5EA [0,2,0,0,0,0|2,0,0]=4 2399 B13R1.145 OCC(Cc1ccc(cc1)F)C#N 1P019YD4 [0,2,0,0,0,0|2,0,0]=4 2400 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)N 1P003L8F [0,2,0,0,0,0|2,0,0]=4 2401 B13R1.249 NCC(Cc1ccc(cc1)F)(C)C 1P01F7E0 [0,2,0,0,0,0|2,0,0]=4 2402 B13R1.249 OCC(Cc1ccc(cc1)Br)(N)C 1P01BS3V [0,2,0,0,0,0|2,0,0]=4 2403 B13R1.249 OCC(Cc1ccc(cc1)C)(N)C 1P0283GY [0,2,0,0,0,0|2,0,0]=4 2404 B13R1.249 OCC(Cc1ccc(cc1)Cl)(N)C 1P01BSHO [0,2,0,0,0,0|2,0,0]=4 2405 B13R1.249 OCC(Cc1ccc(cc1)F)(N)C 1P01BS3X [0,2,0,0,0,0|2,0,0]=4 2406 B13R1.2679 CCC(Cc1ccc(cc1Cl)Cl)N 1P0002FD [0,2,0,0,0,0|2,0,0]=4 2407 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 1P01FCK7 [0,2,0,0,0,0|1,0,1]=4 2408 B13R1.2679 CNC(Cc1ccc(cc1F)F)C 1P01DZ19 [0,2,0,0,0,0|0,0,0]=2 2409 B13R1.2679 CN[C@H](Cc1ccc(cc1F)F)C 1P027ZF6 [0,2,0,0,0,0|0,0,0]=2 2410 B13R1.2879 CCC(Sc1ccc(c(c1)C)N)C 1P01A8SF [0,2,0,0,0,0|2,0,0]=4 2411 B13R1.2879 CNC(Cc1ccc(c(c1)O)O)C 1P01EPFQ [0,2,0,0,0,0|0,0,0]=2 2412 B13R1.81 CCC(Oc1cccc(c1)C=O)C 1P00IH8Q [0,2,0,0,0,0|2,0,0]=4 2413 B13R1.81 CCC(Oc1cccc(c1)CN)C 1P00C8SA [0,2,0,0,0,0|2,0,0]=4 2414 B13R1.81 CCC(Oc1cccc(c1)CO)C 1P00GUA0 [0,2,0,0,0,0|2,0,0]=4 2415 B13R1.81 CCN(Cc1cccc(c1)CN)C 1P019XB5 [0,2,0,0,0,0|2,0,0]=4 2416 B13R1.146 CCC(Cc1cccc(c1)Br)CN 1P01AK1H [0,2,0,0,0,0|1,0,0]=3 2417 B13R1.146 CCC(Nc1cccc(c1)C)CC 1P01AY1X [0,2,0,0,0,0|2,0,0]=4 2418 B13R1.146 CCC(Oc1cccc(c1)C)CN 1P019YSE [0,2,0,0,0,0|2,0,0]=4 2419 B13R1.146 CCC(Oc1cccc(c1)Cl)CN 1P019ZG3 [0,2,0,0,0,0|2,0,0]=4 2420 B13R1.146 CCC(Oc1cccc(c1)F)CN 1P019ZBN [0,2,0,0,0,0|2,0,0]=4 2421 B13R1.146 CCN(Cc1cccc(c1)N)CC 1P00C2F5 [0,2,0,0,0,0|2,0,0]=4 2422 B13R1.146 CCN(Cc1cccc(c1)N)CC 1P01XDDT [0,2,0,0,0,0|2,0,0]=4 2423 B13R1.146 COC(Cc1cccc(c1)Cl)OC 1P01AHZU [0,2,0,0,0,0|1,0,0]=3 2424 B13R1.146 COC(Cc1cccc(c1)F)OC 1P01AH27 [0,2,0,0,0,0|1,0,0]=3 2425 B13R1.146 NCC(Cc1cccc(c1)Br)CO 1P01BELI [0,2,0,0,0,0|2,0,0]=4 2426 B13R1.146 NCC(Cc1cccc(c1)C)CO 1P019N8L [0,2,0,0,0,0|2,0,0]=4 2427 B13R1.146 NCC(Cc1cccc(c1)C)CO 1P0283XW [0,2,0,0,0,0|2,0,0]=4 2428 B13R1.146 NCC(Cc1cccc(c1)F)CO 1P019SV8 [0,2,0,0,0,0|2,0,0]=4 2429 B13R1.146 OCC(Cc1cccc(c1)Br)C#N 1P01BEAU [0,2,0,0,0,0|2,0,0]=4 2430 B13R1.250 NCC(Cc1cccc(c1)Br)(C)C 1P01AUYD [0,2,0,0,0,0|2,0,0]=4 2431 B13R1.250 NCC(Cc1cccc(c1)Cl)(C)C 1P019ZV8 [0,2,0,0,0,0|2,0,0]=4 2432 B13R1.250 OCC(Cc1cccc(c1)C)(C)C 1P0085WX [0,2,0,0,0,0|2,0,0]=4 2433 B13R1.2872 CN(CC)Cc1cc(F)ccc1N 1P01A724 [0,2,0,0,0,0|2,0,0]=4 2434 B13R1.335 CCC(Cc1ccccc1Br)NC 1P01AFSM [0,2,0,0,0,0|0,0,0]=2 2435 B13R1.335 CCC(Oc1ccccc1C)CN 1P019YSQ [0,2,0,0,0,0|2,0,0]=4 2436 B13R1.335 CCC(Oc1ccccc1Cl)CN 1P019UHQ [0,2,0,0,0,0|2,0,0]=4 2437 B13R1.335 CCC(Oc1ccccc1F)CN 1P019UIG [0,2,0,0,0,0|2,0,0]=4 2438 B13R1.335 CCN(Cc1ccccc1N)CC 1P019NH5 [0,2,0,0,0,0|2,0,0]=4 2439 B13R1.335 COC(Cc1ccccc1F)OC 1P01AH28 [0,2,0,0,0,0|1,0,0]=3 2440 B13R1.335 NCC(Cc1ccccc1Br)CO 1P01BELN [0,2,0,0,0,0|2,0,0]=4 2441 B13R1.335 NCC(Cc1ccccc1C)CO 1P019N8J [0,2,0,0,0,0|2,0,0]=4 2442 B13R1.335 NCC(Cc1ccccc1Cl)CO 1P019SV5 [0,2,0,0,0,0|2,0,0]=4 2443 B13R1.335 NCC(Cc1ccccc1F)CO 1P019SV6 [0,2,0,0,0,0|2,0,0]=4 2444 B13R1.335 OCC(Cc1ccccc1Br)C#N 1P01BEAV [0,2,0,0,0,0|2,0,0]=4 2445 B13R1.3080 COP(=O)(Cc1ccccc1)OC 1P00ID9X [0,2,0,0,0,0|2,0,0]=4 2446 B13R1.3080 NCC(Cc1ccccc1)(CO)C 1P01BDNN [0,2,0,0,0,0|2,0,0]=4 2447 B13R1.275 CC[N+](Cc1ccccc1Br)(C)C 1P00E9EO [0,2,0,0,0,0|2,0,0]=4 2448 B13R1.275 O=CC(Cc1ccccc1Br)(C)C 1P01C7JS [0,2,0,0,0,0|2,0,0]=4 2449 B13R1.275 OCC(Cc1ccccc1Br)(N)C 1P028WBX [0,2,0,0,0,0|2,0,0]=4 2450 B13R1.275 OCC(Cc1ccccc1F)(N)C 1P01BRYU [0,2,0,0,0,0|2,0,0]=4 2451 B13R1.91 CCC(Oc1ccccc1C=O)C 1P002LZ6 [0,2,0,0,0,0|2,0,0]=4 2452 B13R1.4928 CN[C@H](Cc1c(F)cccc1F)C 1P028QGC [0,2,0,0,0,0|0,0,0]=2 2453 B13R1.4928 OCC(Cc1c(Cl)cccc1Cl)C 1P01B1UB [0,2,0,0,0,0|2,0,0]=4 2454 B11R1.25 CNC(CCc1ccco1)C 1P00AQ8M [0,0,1,1,0,0|1,0,1]=4 2455 B11R2.1 C=C1CCc2c1cccc2 1P000J6F [1,0,0,1,0,0|1,0,1]=4 2456 B11R2.1 CC1=CCc2c1cccc2 1P005V74 [1,0,0,1,0,0|1,0,1]=4 2457 B11R2.1 CC1CCc2c1cccc2 1P003AUM [1,0,0,1,0,0|1,0,0]=3 2458 B11R2.1 CC1CNc2c1cccc2 1P0039RW [1,0,0,1,0,0|2,0,0]=4 2459 B11R2.1 CC1CNc2c1cccc2 1P0073LH [1,0,0,1,0,0|2,0,0]=4 2460 B11R2.1 CC1COc2c1cccc2 1P008041 [1,0,0,1,0,0|2,0,0]=4 2461 B11R2.1 CC1NCc2c1cccc2 1P01A6S1 [1,0,0,1,0,0|2,0,0]=4 2462 B11R2.1 CN1CCc2c1cccc2 1P00G9YK [1,0,0,1,0,0|0,0,0]=2 2463 B11R2.1 CN1CCc2c1ccnc2 1P00BHT0 [1,0,0,1,0,0|1,0,0]=3 2464 B11R2.1 C[C@@H]1NCc2c1cccc2 1P01B7VV [1,0,0,1,0,0|2,0,0]=4 2465 B11R2.1 C[C@H]1NCc2c1cccc2 1P01B7MO [1,0,0,1,0,0|2,0,0]=4 2466 B11R2.1 ClC1CCc2c1cccc2 1P00C7HS [1,0,0,1,0,0|2,0,0]=4 2467 B11R2.1 Cn1ccc2c1cccc2 1P003EZD [1,0,0,1,0,0|0,0,2]=4 2468 B11R2.1 Cn1cnc2c1cccc2 1P001UBI [1,0,0,1,0,0|1,0,1]=4 2469 B11R2.1 Cn1ncc2c1cccc2 1P007166 [1,0,0,1,0,0|1,0,1]=4 2470 B11R2.1 Cn1nnc2c1cccc2 1P003EXP [1,0,0,1,0,0|2,0,0]=4 2471 B11R2.1 NC1CCc2c1cccc2 1P003EEO [1,0,0,1,0,0|2,0,0]=4 2472 B11R2.1 NC1CCc2c1cccc2 1P003EEP [1,0,0,1,0,0|2,0,0]=4 2473 B11R2.1 NN1CCc2c1cccc2 1P00G2ST [1,0,0,1,0,0|1,0,0]=3 2474 B11R2.1 NN1CCc2c1cccc2 1P00GVUT [1,0,0,1,0,0|1,0,0]=3 2475 B11R2.1 N[C@@H]1CCc2c1cccc2 1P0008SL [1,0,0,1,0,0|2,0,0]=4 2476 B11R2.1 N[C@@H]1CCc2c1cccc2 1P0086LZ [1,0,0,1,0,0|2,0,0]=4 2477 B11R2.1 N[C@H]1CCc2c1cccc2 1P0032X1 [1,0,0,1,0,0|2,0,0]=4 2478 B11R2.1 N[C@H]1CCc2c1cccc2 1P00IBB5 [1,0,0,1,0,0|2,0,0]=4 2479 B11R2.1 OC1CCc2c1cccc2 1P003EVW [1,0,0,1,0,0|2,0,0]=4 2480 B11R2.1 O[C@@H]1CCc2c1cccc2 1P003CPA [1,0,0,1,0,0|2,0,0]=4 2481 B11R2.1 O[C@H]1CCc2c1cccc2 1P0032WK [1,0,0,1,0,0|2,0,0]=4 2482 B11R2.1 SC1CCc2c1cccc2 1P0015VF [1,0,0,1,0,0|2,0,0]=4 2483 B11R2.4 BrC1CC1c2ccccc2 1P00CRS3 [1,0,0,1,0,0|2,0,0]=4 2484 B11R2.4 Br[C@@H]1C[C@H]1c2ccccc2 1P01BA83 [1,0,0,1,0,0|2,0,0]=4 2485 B11R2.4 CC1CC1c2ccccc2 1P00QGSY [1,0,0,1,0,0|1,0,0]=3 2486 B11R2.4 CC1CC1c2ccncc2 1P01EYE6 [1,0,0,1,0,0|2,0,0]=4 2487 B11R2.4 CC1NC1c2ccccc2 1P005T2D [1,0,0,1,0,0|2,0,0]=4 2488 B11R2.4 CN1C[C@@H]1c2ccccc2 1P01EJ8O [1,0,0,1,0,0|0,0,0]=2 2489 B11R2.4 CN1C[C@H]1c2ccccc2 1P01EJ96 [1,0,0,1,0,0|0,0,0]=2 2490 B11R2.4 NC1CC1c2ccccc2 1P00E0CT [1,0,0,1,0,0|2,0,0]=4 2491 B11R2.4 NC1CC1c2ccccc2 1P00EKHZ [1,0,0,1,0,0|2,0,0]=4 2492 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 1P01JUMX [1,0,0,1,0,0|2,0,0]=4 2493 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P002C46 [1,0,0,1,0,0|2,0,0]=4 2494 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P0036EW [1,0,0,1,0,0|2,0,0]=4 2495 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P009AYV [1,0,0,1,0,0|2,0,0]=4 2496 B11R2.4 N[C@H]1CC1c2ccccc2 1P00DK73 [1,0,0,1,0,0|2,0,0]=4 2497 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 1P003AUO [1,0,0,1,0,0|2,0,0]=4 2498 B11R2.4 N[C@H]1C[C@H]1c2ccccc2 1P00DDXS [1,0,0,1,0,0|2,0,0]=4 2499 B11R2.20 C1=Cc2c(CC1)cccc2 1P003DV3 [1,0,0,1,0,0|1,0,1]=4 2500 B11R2.20 C1CCc2c(C1)cccc2 1P000PGN [1,0,0,1,0,0|1,0,0]=3 2501 B11R2.20 C1CCc2c(C1)cncc2 1P003MPY [1,0,0,1,0,0|2,0,0]=4 2502 B11R2.20 C1CCc2c(C1)nccc2 1P003MQ0 [1,0,0,1,0,0|2,0,0]=4 2503 B11R2.20 C1CCc2c(N1)cccc2 1P003DQY [1,0,0,1,0,0|2,0,0]=4 2504 B11R2.20 C1CCc2c(O1)cccc2 1P00DBP3 [1,0,0,1,0,0|2,0,0]=4 2505 B11R2.20 C1NCc2c(C1)cccn2 1P0038HV [1,0,0,1,0,0|1,0,0]=3 2506 B11R2.20 C1NCc2c(C1)cccn2 1P007N5A [1,0,0,1,0,0|1,0,0]=3 2507 B11R2.20 C1NCc2c(C1)cccn2 1P009D1X [1,0,0,1,0,0|1,0,0]=3 2508 B11R2.20 C1NCc2c(C1)cncn2 1P002GW2 [1,0,0,1,0,0|2,0,0]=4 2509 B11R2.20 C1NCc2c(C1)cncn2 1P005OZT [1,0,0,1,0,0|2,0,0]=4 2510 B11R2.20 C1NCc2c(C1)nccc2 1P003MPT [1,0,0,1,0,0|1,0,0]=3 2511 B11R2.20 C1NCc2c(C1)nccc2 1P00CLBZ [1,0,0,1,0,0|1,0,0]=3 2512 B11R2.20 C1NCc2c(C1)nccc2 1P00IDM2 [1,0,0,1,0,0|1,0,0]=3 2513 B11R2.20 C1NCc2c(C1)ncnc2 1P001PU5 [1,0,0,1,0,0|2,0,0]=4 2514 B11R2.20 C1NCc2c(C1)ncnc2 1P002GW5 [1,0,0,1,0,0|2,0,0]=4 2515 B11R2.20 C1NCc2c(C1)ncnc2 1P002LBC [1,0,0,1,0,0|2,0,0]=4 2516 B11R2.20 C1NCc2c(C1)nncc2 1P028LT7 [1,0,0,1,0,0|2,0,0]=4 2517 B11R2.20 N1CCc2c(C1)cccc2 1P003DQW [1,0,0,1,0,0|0,0,0]=2 2518 B11R2.20 N1CCc2c(C1)ccnc2 1P0038JA [1,0,0,1,0,0|1,0,0]=3 2519 B11R2.20 N1CCc2c(C1)ccnc2 1P0039KI [1,0,0,1,0,0|1,0,0]=3 2520 B11R2.20 N1CCc2c(C1)cncc2 1P00801F [1,0,0,1,0,0|1,0,0]=3 2521 B11R2.20 N1CCc2c(C1)cncc2 1P00DK7R [1,0,0,1,0,0|1,0,0]=3 2522 B11R2.20 N1CCc2c(C1)nccn2 1P00CJQG [1,0,0,1,0,0|2,0,0]=4 2523 B11R2.20 N1CCc2c(C1)nccn2 1P027WTT [1,0,0,1,0,0|2,0,0]=4 2524 B11R2.20 N1NCc2c(C1)cccc2 1P003DQX [1,0,0,1,0,0|1,0,0]=3 2525 B11R2.20 N1NCc2c(C1)cccc2 1P01AMTK [1,0,0,1,0,0|1,0,0]=3 2526 B11R2.20 O1CCc2c(C1)cccc2 1P003RK8 [1,0,0,1,0,0|1,0,0]=3 2527 B11R2.20 O1CCc2c(C1)cncc2 1P028XZB [1,0,0,1,0,0|2,0,0]=4 2528 B11R2.20 O1NCc2c(C1)cccc2 1P01BB40 [1,0,0,1,0,0|1,0,0]=3 2529 B11R2.20 c1ccc2c(c1)C=NCC2 1P00C0VZ [1,0,0,1,0,0|0,0,2]=4 2530 B11R2.238 C1CC1Cc2ccccc2 1P001XDJ [1,0,0,1,0,0|1,0,0]=3 2531 B11R2.238 C1CC1Nc2ccccc2 1P00CHSB [1,0,0,1,0,0|2,0,0]=4 2532 B11R2.238 C1CC1Sc2ccccc2 1P001EDN [1,0,0,1,0,0|2,0,0]=4 2533 B11R2.238 N1CC1Cc2ccccc2 1P001AL5 [1,0,0,1,0,0|0,0,0]=2 2534 B11R2.238 N1C[C@@H]1Cc2ccccc2 1P003D1R [1,0,0,1,0,0|0,0,0]=2 2535 B11R2.238 O1CC1Cc2ccccc2 1P00D8Y6 [1,0,0,1,0,0|1,0,0]=3 2536 B11R2.238 O1C[C@@H]1Cc2ccccc2 1P01IZ8T [1,0,0,1,0,0|1,0,0]=3 2537 B11R2.238 O1C[C@H]1Cc2ccccc2 1P006BHY [1,0,0,1,0,0|1,0,0]=3 2538 B11R2.239 C1CC(C1)c2ccccc2 1P00E02O [1,0,0,1,0,0|1,0,0]=3 2539 B11R2.239 C1CC(N1)c2ccccc2 1P007ONK [1,0,0,1,0,0|2,0,0]=4 2540 B11R2.239 C1CC(O1)c2ccccc2 1P00E03O [1,0,0,1,0,0|2,0,0]=4 2541 B11R2.239 C1C[C@H](N1)c2ccccc2 1P028F5A [1,0,0,1,0,0|2,0,0]=4 2542 B11R2.239 N1CC(C1)c2ccccc2 1P00D8JP [1,0,0,1,0,0|0,0,0]=2 2543 B11R2.239 N1CC(C1)c2ccccc2 1P00G7HV [1,0,0,1,0,0|0,0,0]=2 2544 B11R2.239 N1CC(C1)c2ccccn2 1P002IYO [1,0,0,1,0,0|1,0,0]=3 2545 B11R2.239 N1CC(C1)c2ccccn2 1P01BYCH [1,0,0,1,0,0|1,0,0]=3 2546 B11R2.239 N1CC(C1)c2cccnc2 1P000LDY [1,0,0,1,0,0|1,0,0]=3 2547 B11R2.239 N1CC(C1)c2ccncc2 1P000LDZ [1,0,0,1,0,0|1,0,0]=3 2548 B11R2.239 N1CC(C1)c2ccncn2 1P0019L8 [1,0,0,1,0,0|2,0,0]=4 2549 B11R2.239 N1CC(C1)c2cncnc2 1P01S2AH [1,0,0,1,0,0|2,0,0]=4 2550 B11R2.239 N1CC(C1)c2ncccn2 1P01DL9U [1,0,0,1,0,0|2,0,0]=4 2551 B11R2.239 N1CC(C1)c2ncccn2 1P020M8L [1,0,0,1,0,0|2,0,0]=4 2552 B11R2.239 N1CC(C1)c2nccnc2 1P00HHUI [1,0,0,1,0,0|2,0,0]=4 2553 B11R2.239 O1CC(C1)c2ccccc2 1P007YJ3 [1,0,0,1,0,0|1,0,0]=3 2554 B11R2.988 BrCC1Cc2c1cccc2 1P027V2N [1,0,0,1,0,0|2,0,0]=4 2555 B11R2.988 NCC1Cc2c1cccc2 1P0002MH [1,0,0,1,0,0|2,0,0]=4 2556 B11R2.988 O=CC1Cc2c1cccc2 1P005DML [1,0,0,1,0,0|2,0,0]=4 2557 B11R2.988 OCC1Cc2c1cccc2 1P001NH8 [1,0,0,1,0,0|2,0,0]=4 2558 B11R2.10 BrC1Cc2c(C1)cccc2 1P0024Z3 [1,0,0,1,0,0|1,0,0]=3 2559 B11R2.10 CC1=Cc2c(C1)cccc2 1P00BVKD [1,0,0,1,0,0|0,0,2]=4 2560 B11R2.10 CC1Cc2c(C1)cccc2 1P0036Z1 [1,0,0,1,0,0|0,0,0]=2 2561 B11R2.10 CC1Cc2c(N1)cccc2 1P003BPY [1,0,0,1,0,0|0,0,0]=2 2562 B11R2.10 CC1Cc2c(N1)ccnc2 1P01AMN5 [1,0,0,1,0,0|1,0,0]=3 2563 B11R2.10 CC1Cc2c(N1)nccc2 1P00GA8F [1,0,0,1,0,0|1,0,0]=3 2564 B11R2.10 CC1Cc2c(O1)cccc2 1P00209S [1,0,0,1,0,0|1,0,0]=3 2565 B11R2.10 C[C@@H]1Cc2c(N1)cccc2 1P00BJBQ [1,0,0,1,0,0|0,0,0]=2 2566 B11R2.10 C[C@H]1Cc2c(N1)cccc2 1P0070A1 [1,0,0,1,0,0|0,0,0]=2 2567 B11R2.10 Cc1cc2c([nH]1)cccc2 1P003I67 [1,0,0,1,0,0|0,0,2]=4 2568 B11R2.10 Cc1nc2c([nH]1)cccc2 1P003I5B [1,0,0,1,0,0|1,0,1]=4 2569 B11R2.10 IC1Cc2c(C1)cccc2 1P00BJI6 [1,0,0,1,0,0|1,0,0]=3 2570 B11R2.10 NC1Cc2c(C1)cccc2 1P002NHZ [1,0,0,1,0,0|0,0,0]=2 2571 B11R2.10 NC1Cc2c(C1)cccc2 1P002ZR8 [1,0,0,1,0,0|0,0,0]=2 2572 B11R2.10 NC1Cc2c(C1)cccn2 1P01EIL9 [1,0,0,1,0,0|1,0,0]=3 2573 B11R2.10 NC1Cc2c(C1)ccnc2 1P01C2HM [1,0,0,1,0,0|1,0,0]=3 2574 B11R2.10 NC1Cc2c(C1)nccn2 1P0285HC [1,0,0,1,0,0|2,0,0]=4 2575 B11R2.10 NN1Cc2c(C1)cccc2 1P00DIHZ [1,0,0,1,0,0|1,0,0]=3 2576 B11R2.10 O=C1Cc2c(C1)cccc2 1P003HWU [1,0,0,1,0,0|1,0,1]=4 2577 B11R2.10 O=C1Cc2c(N1)cccc2 1P003RGZ [1,0,0,1,0,0|1,0,1]=4 2578 B11R2.10 OC1Cc2c(C1)cccc2 1P00I8P0 [1,0,0,1,0,0|1,0,0]=3 2579 B11R2.10 S=C1Cc2c(N1)cccc2 1P00DAOH [1,0,0,1,0,0|1,0,1]=4 2580 B11R2.10 SC1Cc2c(C1)cccc2 1P01ALGM [1,0,0,1,0,0|1,0,0]=3 2581 B11R2.59 CC1(N)Cc2c1cccc2 1P01B2EM [1,0,0,1,0,0|0,0,0]=2 2582 B11R2.40 BrC1(CC1)c2ccccc2 1P01A4ZK [0,0,0,1,1,0|2,0,0]=4 2583 B11R2.40 CC1(CC1)c2ccncc2 1P01EYET [0,0,0,1,1,0|2,0,0]=4 2584 B11R2.40 CC1(OC1)c2ccccc2 1P002K7B [0,0,0,1,1,0|1,0,0]=3 2585 B11R2.40 ClC1(CC1)c2ccccc2 1P000BTP [0,0,0,1,1,0|2,0,0]=4 2586 B11R2.40 NC1(CC1)c2ccccc2 1P003F32 [0,0,0,1,1,0|2,0,0]=4 2587 B11R2.40 NC1(CC1)c2ccccc2 1P00BZE5 [0,0,0,1,1,0|2,0,0]=4 2588 B11R2.40 OC1(CC1)c2ccccc2 1P002Z3X [0,0,0,1,1,0|2,0,0]=4 2589 B11R2.54 O=C1C(C)c2c1cccc2 1P005NMP [0,0,0,1,1,0|2,0,0]=4 2590 B11R2.36 CC1NCc2c(C1)[nH]cn2 1P029109 [0,0,0,1,1,0|2,0,0]=4 2591 B11R2.36 CC1NCc2n(C1)ccn2 1P01XFMU [0,0,0,1,1,0|2,0,0]=4 2592 B11R2.36 CC1NCc2n(C1)ncc2 1P01DWNP [0,0,0,1,1,0|2,0,0]=4 2593 B11R2.36 C[C@@H]1NCc2n(C1)ncc2 1P01DXXU [0,0,0,1,1,0|2,0,0]=4 2594 B11R2.36 C[C@H]1NCc2n(C1)ncc2 1P01XFIX [0,0,0,1,1,0|2,0,0]=4 2595 B13R2.10 CC1CN=C(C1)c2ccccc2 1P028DJW [0,0,0,1,0,1|2,0,0]=4 2596 B13R2.10 CC1CNC(C1)c2ccccc2 1P01BAOI [0,0,0,1,0,1|2,0,0]=4 2597 B13R2.10 CC1COC(O1)c2ccccc2 1P00I5D9 [0,0,0,1,0,1|2,0,0]=4 2598 B13R2.10 CC1NCC(C1)c2ccccc2 1P005YSV [0,0,0,1,0,1|0,0,0]=2 2599 B13R2.10 C[C@H]1CCC(N1)c2ccccc2 1P00IL8R [0,0,0,1,0,1|1,0,0]=3 2600 B13R2.10 NC1CCN(C1)c2ccccc2 1P0075EJ [0,0,0,1,0,1|2,0,0]=4 2601 B13R2.10 N[C@@H]1CC[C@@H](C1)c2ccccc2 1P01C2M4 [0,0,0,1,0,1|2,0,0]=4 2602 B13R2.10 N[C@H]1CCN(C1)c2ccccc2 1P01ALSS [0,0,0,1,0,1|2,0,0]=4 2603 B13R2.10 N[C@H]1CCN(C1)c2ccccc2 1P01C52J [0,0,0,1,0,1|2,0,0]=4 2604 B13R2.10 O=C1NCC(C1)c2ccccc2 1P000Q57 [0,0,0,1,0,1|1,0,1]=4 2605 B13R2.10 O=C1NCC(N1)c2ccccc2 1P00C3FD [0,0,0,1,0,1|1,0,1]=4 2606 B13R2.10 O=C1NCC(O1)c2ccccc2 1P00G49F [0,0,0,1,0,1|1,0,1]=4 2607 B13R2.10 O=C1NC[C@@H](C1)c2ccccc2 1P00IBIN [0,0,0,1,0,1|1,0,1]=4 2608 B13R2.10 O=C1NC[C@@H](O1)c2ccccc2 1P0285H0 [0,0,0,1,0,1|1,0,1]=4 2609 B13R2.10 O=C1NC[C@H](O1)c2ccccc2 1P01DUKE [0,0,0,1,0,1|1,0,1]=4 2610 B13R2.10 OC1CCC(C1)c2ccccc2 1P006WTX [0,0,0,1,0,1|2,0,0]=4 2611 B13R2.10 OC1CCN(C1)c2ccccc2 1P00JPV4 [0,0,0,1,0,1|2,0,0]=4 2612 B13R2.27 N[C@@H]1CC[C@@H]1Cc2ccccc2 1P028EH2 [0,0,0,1,0,1|2,0,0]=4 2613 B13R2.32 CC1CCc2c(C1=O)cccc2 1P001RJZ [0,0,0,1,0,1|2,0,0]=4 2614 B13R2.32 CC1CCc2c(C1N)cccc2 1P01A3VO [0,0,0,1,0,1|2,0,0]=4 2615 B13R2.32 CC1CCc2c(C1N)cccc2 1P01A5IW [0,0,0,1,0,1|2,0,0]=4 2616 B13R2.32 CC1CCc2c(N1C)cccc2 1P01XFNX [0,0,0,1,0,1|0,0,0]=2 2617 B13R2.32 CC1CNc2c(C1=O)cccc2 1P01SQQK [0,0,0,1,0,1|2,0,0]=4 2618 B13R2.32 CC1COc2c(C1=O)cccc2 1P00ANNP [0,0,0,1,0,1|2,0,0]=4 2619 B13R2.32 CC1COc2c(C1N)cccc2 1P01A6N4 [0,0,0,1,0,1|2,0,0]=4 2620 B13R2.32 CC1COc2c(C1O)cccc2 1P01A6EY [0,0,0,1,0,1|2,0,0]=4 2621 B13R2.32 CC1CSc2c(C1=O)cccc2 1P00GQ3B [0,0,0,1,0,1|2,0,0]=4 2622 B13R2.32 CN1CCc2c(C1C)cccc2 1P00B52U [0,0,0,1,0,1|2,0,0]=4 2623 B13R2.32 O=C1CCc2c(N1C)cccc2 1P0052UG [0,0,0,1,0,1|1,0,1]=4 2624 B13R2.32 O=C1CNc2c(N1C)cccc2 1P002KNO [0,0,0,1,0,1|1,0,1]=4 2625 B13R2.32 O=C1COc2c(N1C)cccc2 1P003M6P [0,0,0,1,0,1|1,0,1]=4 2626 B13R2.32 O=C1NCc2c(N1C)cccc2 1P00L5H5 [0,0,0,1,0,1|1,0,1]=4 2627 B13R2.33 CC1CNc2c(CC1)cccc2 1P028F4V [0,0,0,1,0,1|1,0,0]=3 2628 B13R2.33 CC1CNc2c(CN1)cccc2 1P028X8P [0,0,0,1,0,1|0,0,0]=2 2629 B13R2.33 CC1CNc2c(NC1)cccc2 1P0080ZR [0,0,0,1,0,1|2,0,0]=4 2630 B13R2.33 CC1CSc2c(CN1)cccc2 1P01AFRH [0,0,0,1,0,1|0,0,0]=2 2631 B13R2.33 CC1CSc2c(CN1)cccc2 1P02871W [0,0,0,1,0,1|0,0,0]=2 2632 B13R2.33 CC1CSc2c(NC1)cccc2 1P01A2W2 [0,0,0,1,0,1|2,0,0]=4 2633 B13R2.33 CC1NCc2c(CC1)cccc2 1P0293QA [0,0,0,1,0,1|0,0,0]=2 2634 B13R2.33 NC1CCc2c(CC1)cccc2 1P009314 [0,0,0,1,0,1|2,0,0]=4 2635 B13R2.33 NC1CCc2c(CC1)cccc2 1P00DK9R [0,0,0,1,0,1|2,0,0]=4 2636 B13R2.33 NC1COc2c(CC1)cccc2 1P01B9B6 [0,0,0,1,0,1|2,0,0]=4 2637 B13R2.33 NC1COc2c(CC1)cccc2 1P01B9B7 [0,0,0,1,0,1|2,0,0]=4 2638 B13R2.33 O=C1CNc2c(CN1)cccc2 1P001Y94 [0,0,0,1,0,1|1,0,1]=4 2639 B13R2.33 O=C1NCc2c(CC1)cccc2 1P0025NV [0,0,0,1,0,1|1,0,1]=4 2640 B13R2.33 OC1CNc2c(CC1)cccc2 1P028JWW [0,0,0,1,0,1|2,0,0]=4 2641 B13R2.33 OC1COc2c(CN1)cccc2 1P007HNO [0,0,0,1,0,1|1,0,0]=3 2642 B13R2.50 BrCC1CN1Cc2ccccc2 1P01C2NB [0,0,0,1,0,1|2,0,0]=4 2643 B13R2.50 OCC1CC1Cc2ccccc2 1P01CAOY [0,0,0,1,0,1|2,0,0]=4 2644 B13R2.52 CNC1CC(C1)c2cccnc2 1P01DVX2 [0,0,0,1,0,1|1,0,0]=3 2645 B13R2.52 CNC1CC(C1)c2ccncc2 1P01DW1J [0,0,0,1,0,1|1,0,0]=3 2646 B13R2.52 CN[C@@H]1C[C@H](C1)c2ccccc2 1P01FJYO [0,0,0,1,0,1|0,0,0]=2 2647 B13R2.52 NCC1CC(C1)c2ccccc2 1P01B9PN [0,0,0,1,0,1|2,0,0]=4 2648 B13R2.52 NC[C@@H]1C[C@@H](C1)c2ccccc2 1P01B7SU [0,0,0,1,0,1|2,0,0]=4 2649 B13R2.52 OCC1CC(C1)c2ccccc2 1P028VGA [0,0,0,1,0,1|2,0,0]=4 2650 B13R2.57 BrCC1CCc2c(C1)cccc2 1P005HPY [0,0,0,1,0,1|2,0,0]=4 2651 B13R2.57 BrCC1COc2c(C1)cccc2 1P028WZR [0,0,0,1,0,1|2,0,0]=4 2652 B13R2.57 BrC[C@@H]1OCc2c(C1)cccc2 1P0280LE [0,0,0,1,0,1|2,0,0]=4 2653 B13R2.57 BrC[C@H]1OCc2c(C1)cccc2 1P028YO9 [0,0,0,1,0,1|2,0,0]=4 2654 B13R2.57 C#CC1COc2c(C1)cccc2 1P027ODG [0,0,0,1,0,1|1,0,1]=4 2655 B13R2.57 CCC1CCc2c(N1)cccc2 1P019UIA [0,0,0,1,0,1|2,0,0]=4 2656 B13R2.57 CCC1CNc2c(O1)cccc2 1P007VCM [0,0,0,1,0,1|2,0,0]=4 2657 B13R2.57 CCC1NCc2c(C1)cccc2 1P007B1F [0,0,0,1,0,1|1,0,0]=3 2658 B13R2.57 CNC1CCc2c(C1)cccc2 1P007RW1 [0,0,0,1,0,1|0,0,0]=2 2659 B13R2.57 CNC1CCc2c(C1)cccc2 1P00BIJI [0,0,0,1,0,1|0,0,0]=2 2660 B13R2.57 COC1CNc2c(C1)cccc2 1P01B8T8 [0,0,0,1,0,1|1,0,0]=3 2661 B13R2.57 COC1CNc2c(C1)cccc2 1P028B81 [0,0,0,1,0,1|1,0,0]=3 2662 B13R2.57 N#CC1CCc2c(C1)cccc2 1P00DJQR [0,0,0,1,0,1|2,0,0]=4 2663 B13R2.57 NCC1CCc2c(C1)cccc2 1P000ZIE [0,0,0,1,0,1|2,0,0]=4 2664 B13R2.57 NCC1CCc2c(C1)cccc2 1P0012S3 [0,0,0,1,0,1|2,0,0]=4 2665 B13R2.57 NCC1COc2c(C1)cccc2 1P00066J [0,0,0,1,0,1|2,0,0]=4 2666 B13R2.57 NCC1COc2c(C1)cccc2 1P000A36 [0,0,0,1,0,1|2,0,0]=4 2667 B13R2.57 NCC1NCc2c(C1)cccc2 1P00DG0O [0,0,0,1,0,1|2,0,0]=4 2668 B13R2.57 NCC1OCc2c(C1)cccc2 1P00CHCG [0,0,0,1,0,1|2,0,0]=4 2669 B13R2.57 NC[C@@H]1OCc2c(C1)cccc2 1P02811D [0,0,0,1,0,1|2,0,0]=4 2670 B13R2.57 NC[C@H]1OCc2c(C1)cccc2 1P01BV98 [0,0,0,1,0,1|2,0,0]=4 2671 B13R2.57 O=CC1CCc2c(C1)cccc2 1P01BY7P [0,0,0,1,0,1|2,0,0]=4 2672 B13R2.57 O=CC1COc2c(C1)cccc2 1P01FGNL [0,0,0,1,0,1|2,0,0]=4 2673 B13R2.57 OCC1CNc2c(C1)cccc2 1P019WL1 [0,0,0,1,0,1|2,0,0]=4 2674 B13R2.57 OCC1COc2c(C1)cccc2 1P005IZH [0,0,0,1,0,1|2,0,0]=4 2675 B13R2.57 OCC1NCc2c(C1)cccc2 1P003CMY [0,0,0,1,0,1|2,0,0]=4 2676 B13R2.57 OC[C@@H]1NCc2c(C1)cccc2 1P027ZHC [0,0,0,1,0,1|2,0,0]=4 2677 B13R2.57 OC[C@H]1NCc2c(C1)cccc2 1P002HTL [0,0,0,1,0,1|2,0,0]=4 2678 B13R2.57 OC[C@H]1OCc2c(C1)cccc2 1P01BVEY [0,0,0,1,0,1|2,0,0]=4 2679 B13R2.98 CC[C@@]1(O)C[C@H]1c2ccccc2 1P028M6I [0,0,0,1,0,1|2,0,0]=4 2680 B13R2.98 NC[C@]1(C)C[C@H]1c2ccccc2 1P01AMMR [0,0,0,1,0,1|2,0,0]=4 2681 B13R2.98 O=C[C@@]1(C)C[C@@H]1c2ccccc2 1P01C36C [0,0,0,1,0,1|2,0,0]=4 2682 B13R2.373 CC1C(N)CC1c2ccccc2 1P01A0WZ [0,0,0,1,0,1|2,0,0]=4 2683 B13R2.2383 C1CC(C1)CNc2ccccc2 1P002FUU [0,0,0,1,0,1|1,0,0]=3 2684 B13R2.2383 C1CC(C1)NCc2ccccc2 1P007J2Z [0,0,0,1,0,1|1,0,0]=3 2685 B13R2.2383 C1CC(C1)NCc2ccccc2 1P008VMY [0,0,0,1,0,1|1,0,0]=3 2686 B13R2.2383 C1CC(N1)CCc2ccccc2 1P01DVUW [0,0,0,1,0,1|0,0,0]=2 2687 B13R2.2383 C1C[C@H](N1)COc2cccnc2 1P01E38P [0,0,0,1,0,1|1,0,0]=3 2688 B13R2.2383 N1CC(C1)CCc2ccccc2 1P024NPF [0,0,0,1,0,1|2,0,0]=4 2689 B13R2.2383 N1CC(C1)COc2ccccc2 1P01BBM1 [0,0,0,1,0,1|2,0,0]=4 2690 B13R2.2383 N1CC(C1)OCc2ccccc2 1P00IG9M [0,0,0,1,0,1|2,0,0]=4 2691 B13R2.2383 O1CC(C1)NCc2ccccc2 1P0005DO [0,0,0,1,0,1|2,0,0]=4 2692 B13R2.2383 O1CC(C1)NCc2ccccc2 1P00IN4J [0,0,0,1,0,1|2,0,0]=4 2693 B13R2.2531 BrCC1(C)COc2c1cccc2 1P01R480 [0,0,0,1,0,1|2,0,0]=4 2694 B13R2.2531 NCC1(C)COc2c1cccc2 1P0281AH [0,0,0,1,0,1|2,0,0]=4 2695 B13R2.2531 O=CC1(C)COc2c1cccc2 1P01BIHQ [0,0,0,1,0,1|2,0,0]=4 2696 B13R2.2531 OCC1(C)CNc2c1cccc2 1P024V3G [0,0,0,1,0,1|2,0,0]=4 2697 B13R2.3203 CC1(OC1)C#Cc2ccccc2 1P028BZI [0,0,0,1,0,1|1,0,1]=4 2698 B13R2.3203 NC1(CC1)COc2ccccc2 1P020E6B [0,0,0,1,0,1|2,0,0]=4 2699 B13R2.3203 NC1(CCc2ccccc2)CC1 1P01BSCC [0,0,0,1,0,1|2,0,0]=4 2700 B13R2.15272 CNC(C1Cc2c1cccc2)C 1P01B7MQ [0,0,0,1,0,1|0,0,0]=2 2701 B13R2.15 CC1CCNC1c2ccccc2 1P00DKMF [0,1,0,1,0,0|1,0,0]=3 2702 B13R2.15 CC1NCCC1c2ccccc2 1P019Z72 [0,1,0,1,0,0|0,0,0]=2 2703 B13R2.15 F[C@@H]1CNC[C@@H]1c2ccccc2 1P0290HM [0,1,0,1,0,0|1,0,0]=3 2704 B13R2.15 N=C1NCCC1c2ccccc2 1P028RW1 [0,1,0,1,0,0|1,0,1]=4 2705 B13R2.15 NC1CCCC1c2ccccc2 1P00DIJB [0,1,0,1,0,0|2,0,0]=4 2706 B13R2.15 NC1CCCC1c2ccccc2 1P00FHC3 [0,1,0,1,0,0|2,0,0]=4 2707 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 1P01C0RM [0,1,0,1,0,0|2,0,0]=4 2708 B13R2.15 N[C@@H]1CCO[C@H]1c2ccccc2 1P01BZ2R [0,1,0,1,0,0|2,0,0]=4 2709 B13R2.15 N[C@@H]1CNC[C@H]1c2ccccc2 1P028DIT [0,1,0,1,0,0|1,0,0]=3 2710 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P00748U [0,1,0,1,0,0|2,0,0]=4 2711 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P028LSU [0,1,0,1,0,0|2,0,0]=4 2712 B13R2.15 O=C1NCCC1c2ccccc2 1P0064IE [0,1,0,1,0,0|1,0,1]=4 2713 B13R2.15 OC1CCCC1c2ccccc2 1P01AIU1 [0,1,0,1,0,0|2,0,0]=4 2714 B13R2.15 OC1COCC1c2ccccc2 1P01DL7W [0,1,0,1,0,0|2,0,0]=4 2715 B13R2.15 O[C@@H]1CCN[C@@H]1c2ccccc2 1P028ROY [0,1,0,1,0,0|2,0,0]=4 2716 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 1P027SDW [0,1,0,1,0,0|1,0,0]=3 2717 B13R2.15 O[C@@H]1COC[C@@H]1c2ccccc2 1P027UDY [0,1,0,1,0,0|2,0,0]=4 2718 B13R2.15 O[C@@H]1COC[C@H]1c2ccccc2 1P0289P9 [0,1,0,1,0,0|2,0,0]=4 2719 B13R2.15 O[C@H]1CCC[C@@H]1c2ccccc2 1P028OP4 [0,1,0,1,0,0|2,0,0]=4 2720 B13R2.15 O[C@H]1CNC[C@@H]1c2ccccc2 1P000M5F [0,1,0,1,0,0|1,0,0]=3 2721 B13R2.25 C=CC[C@@H]1C[C@H]1c2ccccc2 1P01B778 [0,1,0,1,0,0|1,0,1]=4 2722 B13R2.25 O=C=NC1CC1c2ccccc2 1P01AK28 [0,1,0,1,0,0|0,0,2]=4 2723 B13R2.26 BrCCN1Cc2c(C1)cccc2 1P019U93 [0,1,0,1,0,0|2,0,0]=4 2724 B13R2.26 COCC1Cc2c(N1)cccc2 1P00D5UK [0,1,0,1,0,0|2,0,0]=4 2725 B13R2.26 NCCC1Cc2c(C1)cccc2 1P01A34K [0,1,0,1,0,0|1,0,0]=3 2726 B13R2.26 NCCC1Cc2c(C1)cccc2 1P01BEM4 [0,1,0,1,0,0|1,0,0]=3 2727 B13R2.26 NCCC1Cc2c(N1)cccc2 1P0291KL [0,1,0,1,0,0|2,0,0]=4 2728 B13R2.26 NCCN1Cc2c(C1)cccc2 1P019XVY [0,1,0,1,0,0|2,0,0]=4 2729 B13R2.26 NCCN1Cc2c(C1)cccc2 1P01A7Y5 [0,1,0,1,0,0|2,0,0]=4 2730 B13R2.26 O=C=NC1Cc2c(C1)cccc2 1P023TX2 [0,1,0,1,0,0|0,0,2]=4 2731 B13R2.26 OCCN1Cc2c(C1)cccc2 1P00EUL0 [0,1,0,1,0,0|2,0,0]=4 2732 B13R2.26 OCCN1Cc2c(C1)cccc2 1P019SOO [0,1,0,1,0,0|2,0,0]=4 2733 B13R2.31 Br[C@@H]1C[C@@H](C1)Oc2ccccc2 1P01BVO5 [0,1,0,1,0,0|2,0,0]=4 2734 B13R2.31 Br[C@@H]1C[C@H](C1)Cc2ccccc2 1P027ZYF [0,1,0,1,0,0|1,0,0]=3 2735 B13R2.31 NC1CC(C1)Cc2ccccc2 1P027OVW [0,1,0,1,0,0|1,0,0]=3 2736 B13R2.31 NC1CN(C1)Cc2ccccc2 1P000VDV [0,1,0,1,0,0|2,0,0]=4 2737 B13R2.31 NC1CN(C1)Cc2ccccc2 1P007PBP [0,1,0,1,0,0|2,0,0]=4 2738 B13R2.31 N[C@@H]1C[C@@H](C1)Cc2ccccc2 1P027V9P [0,1,0,1,0,0|1,0,0]=3 2739 B13R2.31 N[C@@H]1C[C@@H](C1)Oc2ccccc2 1P01B354 [0,1,0,1,0,0|2,0,0]=4 2740 B13R2.31 N[C@@H]1C[C@H](C1)Cc2ccccc2 1P0290XJ [0,1,0,1,0,0|1,0,0]=3 2741 B13R2.31 N[C@@H]1C[C@H](C1)Oc2ccccc2 1P01B5UX [0,1,0,1,0,0|2,0,0]=4 2742 B13R2.31 N[C@@H]1C[C@H](C1)Sc2ccccc2 1P01BS16 [0,1,0,1,0,0|2,0,0]=4 2743 B13R2.31 O=C1CC(N1)Cc2ccccc2 1P00GAKO [0,1,0,1,0,0|0,0,1]=3 2744 B13R2.31 OC1CC(C1)Cc2ccccc2 1P002BFN [0,1,0,1,0,0|1,0,0]=3 2745 B13R2.31 OC1CN(C1)Cc2ccccc2 1P003EGY [0,1,0,1,0,0|2,0,0]=4 2746 B13R2.31 O[C@@H]1C[C@@H](C1)Cc2ccccc2 1P02901T [0,1,0,1,0,0|1,0,0]=3 2747 B13R2.31 O[C@@H]1C[C@@H](C1)Sc2ccccc2 1P01C0KN [0,1,0,1,0,0|2,0,0]=4 2748 B13R2.31 O[C@@H]1C[C@H](C1)Cc2ccccc2 1P027XTE [0,1,0,1,0,0|1,0,0]=3 2749 B13R2.31 O[C@@H]1C[C@H](C1)Oc2ccccc2 1P01B320 [0,1,0,1,0,0|2,0,0]=4 2750 B13R2.31 SC1CC(C1)Cc2ccccc2 1P027W46 [0,1,0,1,0,0|1,0,0]=3 2751 B13R2.31 S[C@@H]1C[C@H](C1)Cc2ccccc2 1P027VWH [0,1,0,1,0,0|1,0,0]=3 2752 B13R2.64 C1CCC(C1)Nc2ccccc2 1P019F2H [0,1,0,1,0,0|2,0,0]=4 2753 B13R2.64 C1CCC(C1)Oc2ccccc2 1P00C8RL [0,1,0,1,0,0|2,0,0]=4 2754 B13R2.64 C1CCN(C1)Cc2ccccc2 1P00BC5Z [0,1,0,1,0,0|2,0,0]=4 2755 B13R2.64 C1CC[S+](C1)Cc2ccccc2 1P004LYV [0,1,0,1,0,0|2,0,0]=4 2756 B13R2.64 C1CNC(C1)Cc2ccccc2 1P007ET1 [0,1,0,1,0,0|0,0,0]=2 2757 B13R2.64 C1CNC(C1)Cc2ccccn2 1P020LGP [0,1,0,1,0,0|1,0,0]=3 2758 B13R2.64 C1CNC(C1)Cc2ccncc2 1P01FKRX [0,1,0,1,0,0|1,0,0]=3 2759 B13R2.64 C1CN[C@@H](C1)Cc2ccccc2 1P006C8O [0,1,0,1,0,0|0,0,0]=2 2760 B13R2.64 C1CN[C@@H](C1)Cc2ccccc2 1P00HXPD [0,1,0,1,0,0|0,0,0]=2 2761 B13R2.64 C1CN[C@H](C1)Cc2ccccc2 1P00JO4B [0,1,0,1,0,0|0,0,0]=2 2762 B13R2.64 C1COC(O1)Cc2ccccc2 1P0003VX [0,1,0,1,0,0|1,0,0]=3 2763 B13R2.64 C1NCC(C1)Cc2ccccc2 1P00APV9 [0,1,0,1,0,0|0,0,0]=2 2764 B13R2.64 C1NCC(C1)Cc2ccccc2 1P01FMEC [0,1,0,1,0,0|0,0,0]=2 2765 B13R2.64 C1NCC(C1)Cc2ccccn2 1P000ZZ6 [0,1,0,1,0,0|1,0,0]=3 2766 B13R2.64 C1NCC(C1)Cc2cccnc2 1P01AUJP [0,1,0,1,0,0|1,0,0]=3 2767 B13R2.64 C1NCC(C1)Nc2ccccc2 1P0025SC [0,1,0,1,0,0|1,0,0]=3 2768 B13R2.64 C1NCC(C1)Nc2ccccn2 1P01B1MP [0,1,0,1,0,0|2,0,0]=4 2769 B13R2.64 C1NCC(C1)Oc2ccccc2 1P003KBU [0,1,0,1,0,0|1,0,0]=3 2770 B13R2.64 C1NCC(C1)Oc2ccccc2 1P00J7JO [0,1,0,1,0,0|1,0,0]=3 2771 B13R2.64 C1NCC(C1)Oc2ccccn2 1P00172H [0,1,0,1,0,0|2,0,0]=4 2772 B13R2.64 C1NCC(C1)Oc2ccccn2 1P006VRH [0,1,0,1,0,0|2,0,0]=4 2773 B13R2.64 C1NCC(C1)Oc2cccnc2 1P009A3R [0,1,0,1,0,0|2,0,0]=4 2774 B13R2.64 C1NCC(C1)Oc2ccncc2 1P009KL4 [0,1,0,1,0,0|2,0,0]=4 2775 B13R2.64 C1NC[C@@H](C1)Oc2ccccc2 1P009BTI [0,1,0,1,0,0|1,0,0]=3 2776 B13R2.64 C1NC[C@@H](C1)Oc2ccccc2 1P00GMNJ [0,1,0,1,0,0|1,0,0]=3 2777 B13R2.64 C1NC[C@@H](C1)Oc2ccccn2 1P000RCV [0,1,0,1,0,0|2,0,0]=4 2778 B13R2.64 C1NC[C@@H](C1)Oc2cccnc2 1P00I5ET [0,1,0,1,0,0|2,0,0]=4 2779 B13R2.64 C1NC[C@@H](C1)Oc2ccncc2 1P00HRYO [0,1,0,1,0,0|2,0,0]=4 2780 B13R2.64 C1NC[C@@H](C1)Oc2ccncc2 1P01BE7Q [0,1,0,1,0,0|2,0,0]=4 2781 B13R2.64 C1NC[C@@H](C1)Oc2ccncc2 1P028JLG [0,1,0,1,0,0|2,0,0]=4 2782 B13R2.64 C1NC[C@H](C1)Oc2ccccc2 1P00J3W3 [0,1,0,1,0,0|1,0,0]=3 2783 B13R2.64 C1NC[C@H](C1)Oc2ccccn2 1P0092SH [0,1,0,1,0,0|2,0,0]=4 2784 B13R2.64 C1NC[C@H](C1)Oc2ccccn2 1P01KKR3 [0,1,0,1,0,0|2,0,0]=4 2785 B13R2.64 C1OCC(C1)Nc2ccccc2 1P00B9Z8 [0,1,0,1,0,0|2,0,0]=4 2786 B13R2.64 C1SCC(C1)Nc2ccccc2 1P01AY2H [0,1,0,1,0,0|2,0,0]=4 2787 B13R2.64 c1ccc(cc1)CC2=NCCN2 1P003H1N [0,1,0,1,0,0|0,0,1]=3 2788 B13R2.64 c1ccc(cc1)CC2=NCCN2 1P00E97J [0,1,0,1,0,0|0,0,1]=3 2789 B13R2.64 c1ccc(cc1)CN2COCC2 1P0012K4 [0,1,0,1,0,0|2,0,0]=4 2790 B13R2.135 CCn1c(C)cc2c1cccc2 1P0074K4 [0,1,0,1,0,0|0,0,2]=4 2791 B13R2.135 CN[C@@H]1[C@@H](O)Cc2c1cccc2 1P0285QZ [0,1,0,1,0,0|1,0,0]=3 2792 B13R2.135 CN[C@@H]1[C@H](O)Cc2c1cccc2 1P028TO9 [0,1,0,1,0,0|1,0,0]=3 2793 B13R2.135 CO[C@@H]1[C@@H](Br)Cc2c1cccc2 1P01C2UJ [0,1,0,1,0,0|2,0,0]=4 2794 B13R2.135 NCC1C(N)Cc2c1cccc2 1P01BU8X [0,1,0,1,0,0|2,0,0]=4 2795 B13R2.135 NCC1N(C)Cc2c1cccc2 1P01BTZY [0,1,0,1,0,0|2,0,0]=4 2796 B13R2.163 CC1CCNc2c(N1)cccc2 1P00D6SC [0,1,0,1,0,0|2,0,0]=4 2797 B13R2.163 CC1CCNc2c(S1)cccc2 1P002G16 [0,1,0,1,0,0|2,0,0]=4 2798 B13R2.163 CC1CNCc2c(O1)cccc2 1P01AM33 [0,1,0,1,0,0|1,0,0]=3 2799 B13R2.163 CN1CCNc2c(C1)cccc2 1P01AB44 [0,1,0,1,0,0|2,0,0]=4 2800 B13R2.163 CN1CCNc2c(C1)cccc2 1P01ADNQ [0,1,0,1,0,0|2,0,0]=4 2801 B13R2.163 NC1CCCc2c(C1)cccc2 1P01DWYZ [0,1,0,1,0,0|2,0,0]=4 2802 B13R2.163 NC1CCOc2c(C1)cccc2 1P01DVME [0,1,0,1,0,0|2,0,0]=4 2803 B13R2.163 NC1CCOc2c(C1)cccc2 1P01KLBI [0,1,0,1,0,0|2,0,0]=4 2804 B13R2.163 O=C1NCCc2c(C1)cccc2 1P001RXM [0,1,0,1,0,0|1,0,1]=4 2805 B13R2.197 C[C@@H]1C[C@@]1(N)Cc2ccccc2 1P028M9C [0,1,0,1,0,0|1,0,0]=3 2806 B13R2.221 CC1(CNC1)Cc2ccccc2 1P01BE3K [0,1,0,1,0,0|0,0,0]=2 2807 B13R2.221 CC1(CNC1)Oc2ccccc2 1P00AB1L [0,1,0,1,0,0|1,0,0]=3 2808 B13R2.221 NC1(CCC1)Cc2ccccc2 1P000O9L [0,1,0,1,0,0|1,0,0]=3 2809 B13R2.221 NC1(COC1)Cc2ccccc2 1P000TPJ [0,1,0,1,0,0|2,0,0]=4 2810 B13R2.221 NC1(COC1)Cc2ccccc2 1P001UXS [0,1,0,1,0,0|2,0,0]=4 2811 B13R2.221 OC1(CCC1)Cc2ccccc2 1P028BF4 [0,1,0,1,0,0|1,0,0]=3 2812 B13R2.221 OC1(CNC1)Cc2ccccc2 1P01DYB9 [0,1,0,1,0,0|1,0,0]=3 2813 B13R2.221 OC1(CNC1)Cc2ccccn2 1P01JURH [0,1,0,1,0,0|2,0,0]=4 2814 B13R2.328 CC1CC(C)c2c(N1)cccc2 1P0073JT [0,1,0,1,0,0|2,0,0]=4 2815 B13R2.328 CC1NC(C)c2c(C1)cccc2 1P028E2K [0,1,0,1,0,0|0,0,0]=2 2816 B13R2.328 CN1CC(N)c2c(C1)cccc2 1P01A3AP [0,1,0,1,0,0|2,0,0]=4 2817 B13R2.328 C[C@@H]1C[C@@H](N)c2c(O1)cccc2 1P01ANSN [0,1,0,1,0,0|2,0,0]=4 2818 B13R2.328 C[C@@H]1C[C@H](N)c2c(O1)cccc2 1P01ANVV [0,1,0,1,0,0|2,0,0]=4 2819 B13R2.328 C[C@@H]1C[C@H](O)c2c(O1)cccc2 1P00CSEA [0,1,0,1,0,0|2,0,0]=4 2820 B13R2.328 C[C@H]1C[C@H](O)c2c(O1)cccc2 1P00D11M [0,1,0,1,0,0|2,0,0]=4 2821 B13R2.328 NC1CN(C)c2c(C1)cccc2 1P01BXVR [0,1,0,1,0,0|1,0,0]=3 2822 B13R2.444 CC(C1CC1)Nc2ccccc2 1P01BYEE [0,1,0,1,0,0|2,0,0]=4 2823 B13R2.444 NC(C1CC1)Cc2ccccc2 1P01AK7A [0,1,0,1,0,0|2,0,0]=4 2824 B13R2.45 BrCc1nc2c(n1C)cccc2 1P006GE2 [0,1,0,1,0,0|1,0,1]=4 2825 B13R2.45 CCC1Cc2c(C1=O)cccc2 1P003HNG [0,1,0,1,0,0|1,0,1]=4 2826 B13R2.45 CNC1Cc2c(C1C)cccc2 1P028EVF [0,1,0,1,0,0|0,0,0]=2 2827 B13R2.45 CN[C@@H]1Cc2c([C@H]1O)cccc2 1P002OJQ [0,1,0,1,0,0|0,0,0]=2 2828 B13R2.45 CNc1nc2c(n1C)cccc2 1P00FREI [0,1,0,1,0,0|1,0,1]=4 2829 B13R2.45 CO[C@@H]1Cc2c([C@H]1N)cccc2 1P028D4E [0,1,0,1,0,0|1,0,0]=3 2830 B13R2.45 CSc1nc2c(n1C)cccc2 1P00DX18 [0,1,0,1,0,0|1,0,1]=4 2831 B13R2.45 ClCc1nc2c(n1C)cccc2 1P00DC9I [0,1,0,1,0,0|1,0,1]=4 2832 B13R2.45 ClCc1nc2c(n1C)cccc2 1P00J3XU [0,1,0,1,0,0|1,0,1]=4 2833 B13R2.45 NC[C@@H]1Oc2c([C@@H]1C)cccc2 1P01BU7J [0,1,0,1,0,0|2,0,0]=4 2834 B13R2.45 NCc1cc2c(n1C)cccc2 1P00DKA5 [0,1,0,1,0,0|0,0,2]=4 2835 B13R2.45 NCc1nc2c(n1C)cccc2 1P002D42 [0,1,0,1,0,0|1,0,1]=4 2836 B13R2.45 NCc1nc2c(n1C)cccc2 1P00J3RO [0,1,0,1,0,0|1,0,1]=4 2837 B13R2.45 OC[C@@H]1Cc2c([C@@H]1N)cccc2 1P00DAIJ [0,1,0,1,0,0|2,0,0]=4 2838 B13R2.45 OC[C@@H]1Oc2c([C@@H]1C)cccc2 1P0290YU [0,1,0,1,0,0|2,0,0]=4 2839 B13R2.45 OCc1cc2c(n1C)cccc2 1P001LFF [0,1,0,1,0,0|0,0,2]=4 2840 B13R2.45 OCc1nc2c(n1C)cccc2 1P005AN4 [0,1,0,1,0,0|1,0,1]=4 2841 B13R2.56 NCC1CCC1c2ccccc2 1P028KYT [0,1,0,1,0,0|1,0,0]=3 2842 B13R2.56 OCC1CCC1c2ccccc2 1P028HTF [0,1,0,1,0,0|1,0,0]=3 2843 B13R2.56 OC[C@@H]1NC[C@H]1c2ccccc2 1P0293CC [0,1,0,1,0,0|0,0,0]=2 2844 B13R2.382 NC(c1ccccc1)C2CC2C 1P01AJ60 [0,1,0,1,0,0|1,0,0]=3 2845 B13R2.413 NC1CCC1(C)c2ccccc2 1P02833N [0,1,0,1,0,0|2,0,0]=4 2846 B13R2.3085 Cn1c2ccccc2c(c1C)Br 1P0057EC [0,1,0,1,0,0|0,0,2]=4 2847 B13R2.3085 O=C1C(Cl)c2c(N1C)cccc2 1P0287RM [0,1,0,1,0,0|1,0,1]=4 2848 B13R2.3085 O=C1C(N)c2c(N1C)cccc2 1P001WE7 [0,1,0,1,0,0|1,0,1]=4 2849 B13R2.8137 CC(c1ccccc1)C2CNC2 1P028X1L [0,1,0,1,0,0|2,0,0]=4 2850 B13R2.8137 NC(c1ccccc1)C2CCC2 1P00DLLS [0,1,0,1,0,0|1,0,0]=3 2851 B13R2.8137 NC(c1ccccc1)C2CCC2 1P00IATY [0,1,0,1,0,0|1,0,0]=3 2852 B13R2.8137 NC(c1ccccc1)C2COC2 1P01WUU6 [0,1,0,1,0,0|2,0,0]=4 2853 B13R2.8137 N[C@@H](c1ccccc1)C2CCC2 1P00I40A [0,1,0,1,0,0|1,0,0]=3 2854 B13R2.8137 N[C@@H](c1ccccc1)C2COC2 1P01XA9H [0,1,0,1,0,0|2,0,0]=4 2855 B13R2.8137 N[C@@H](c1cccnc1)C2CCC2 1P028OI3 [0,1,0,1,0,0|2,0,0]=4 2856 B13R2.8137 N[C@H](c1ccccc1)C2CCC2 1P0095XV [0,1,0,1,0,0|1,0,0]=3 2857 B13R2.8137 N[C@H](c1ccccc1)C2COC2 1P01Z9OK [0,1,0,1,0,0|2,0,0]=4 2858 B13R2.8137 O=C(c1ccccc1)C2CCC2 1P003PKH [0,1,0,1,0,0|1,0,1]=4 2859 B13R2.8137 OC(c1ccccc1)C2CNC2 1P027NBU [0,1,0,1,0,0|2,0,0]=4 2860 B13R2.8138 CC(C1(N)CC1)c2ccccc2 1P028JZI [0,1,0,1,0,0|2,0,0]=4 2861 B13R2.8138 NC(C1(O)CC1)c2ccccc2 1P00A20N [0,1,0,1,0,0|2,0,0]=4 2862 B13R2.8138 OC(C1(N)CC1)c2ccccc2 1P00FJYP [0,1,0,1,0,0|2,0,0]=4 2863 B13R2.359 CC1Nc2c(C1(C)C)cccc2 1P002GZF [0,1,0,1,0,0|2,0,0]=4 2864 B13R2.359 NC1Cc2c(C1(C)C)cccc2 1P0281D1 [0,1,0,1,0,0|2,0,0]=4 2865 B13R2.369 CC1Cc2ccccc2NC1C 1P01BJYC [0,1,0,1,0,0|1,0,0]=3 2866 B13R2.369 CC1Nc2ccccc2NC1C 1P0014QL [0,1,0,1,0,0|2,0,0]=4 2867 B13R2.369 CC1Nc2ccccc2SC1C 1P019YY2 [0,1,0,1,0,0|2,0,0]=4 2868 B13R2.369 CN1Cc2ccccc2CC1=O 1P00FGNN [0,1,0,1,0,0|1,0,1]=4 2869 B13R2.369 NC1Cc2ccccc2OC1C 1P028NJZ [0,1,0,1,0,0|2,0,0]=4 2870 B13R2.423 CC(C1CC1c2ccccc2)N 1P019XM2 [0,1,0,1,0,0|1,0,0]=3 2871 B13R2.423 CC([C@@H]1C[C@H]1c2ccccc2)N 1P01B9JG [0,1,0,1,0,0|1,0,0]=3 2872 B13R2.423 ClC(=O)[C@@H]1C[C@H]1c2ccccc2 1P003VDF [0,1,0,1,0,0|2,0,0]=4 2873 B13R2.423 OC(=O)C1CC1c2ccccc2 1P00EC5Y [0,1,0,1,0,0|2,0,0]=4 2874 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccccc2 1P006AHI [0,1,0,1,0,0|2,0,0]=4 2875 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 1P00366E [0,1,0,1,0,0|2,0,0]=4 2876 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccc2 1P002MD0 [0,1,0,1,0,0|2,0,0]=4 2877 B13R2.423 OC(=O)[C@H]1C[C@H]1c2ccccc2 1P00CCIK [0,1,0,1,0,0|2,0,0]=4 2878 B13R2.435 CC(=O)C1Cc2c(C1)cccc2 1P00C18O [0,1,0,1,0,0|1,0,0]=3 2879 B13R2.435 CC(=O)N1Cc2c(C1)cccc2 1P00B2QH [0,1,0,1,0,0|2,0,0]=4 2880 B13R2.435 OC(=O)C1Cc2c(C1)cccc2 1P002R87 [0,1,0,1,0,0|2,0,0]=4 2881 B13R2.435 [O-]C(=O)C1Cc2c(C1)cccc2 1P01ALSA [0,1,0,1,0,0|2,0,0]=4 2882 B13R2.3080 N[C@@H]1[C@H](C1(C)C)c2ccccc2 1P01B8OH [0,1,0,1,0,0|2,0,0]=4 2883 B13R2.5517 OC(=O)C1(C)Cc2c1cccc2 1P020A1I [0,1,0,1,0,0|2,0,0]=4 2884 B13R2.42 NCC1CC1c2ccc(cc2)F 1P019SYJ [0,1,0,1,0,0|2,0,0]=4 2885 B13R2.42 O=CC1CC1c2ccc(cc2)F 1P01B6NN [0,1,0,1,0,0|2,0,0]=4 2886 B13R2.42 O=C[C@@H]1C[C@H]1c2ccc(cc2)F 1P00CSN9 [0,1,0,1,0,0|2,0,0]=4 2887 B13R2.42 OCC1CC1c2ccc(cc2)Cl 1P01R6AX [0,1,0,1,0,0|2,0,0]=4 2888 B13R2.42 OC[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01XAD4 [0,1,0,1,0,0|2,0,0]=4 2889 B13R2.42 OC[C@@H]1C[C@H]1c2ccc(cc2)F 1P01B6R2 [0,1,0,1,0,0|2,0,0]=4 2890 B13R2.42 OC[C@H]1C[C@@H]1c2ccc(cc2)Cl 1P01XA5E [0,1,0,1,0,0|2,0,0]=4 2891 B13R2.43 CCN1Cc2c(C1)ccc(c2)N 1P01BF5X [0,1,0,1,0,0|2,0,0]=4 2892 B13R2.43 CCN1Cc2c(C1)ccc(c2)O 1P00DXWR [0,1,0,1,0,0|2,0,0]=4 2893 B13R2.43 CNC1Cc2c(C1)ccc(c2)C 1P02818C [0,1,0,1,0,0|0,0,0]=2 2894 B13R2.43 CNC1Cc2c(C1)ccc(c2)Cl 1P01QCFD [0,1,0,1,0,0|0,0,0]=2 2895 B13R2.146 CC1CCN1c2ccc(cc2)Br 1P028HTJ [0,1,0,1,0,0|2,0,0]=4 2896 B13R2.146 CC1CNC1c2ccc(cc2)C 1P01DVYE [0,1,0,1,0,0|2,0,0]=4 2897 B13R2.146 OC1CCC1c2ccc(cc2)Cl 1P0290QH [0,1,0,1,0,0|2,0,0]=4 2898 B13R2.148 NC1(CC1)Cc2ccc(cc2)Br 1P01A6T1 [0,1,0,1,0,0|2,0,0]=4 2899 B13R2.148 NC1(CC1)Cc2ccc(cc2)C 1P00C2KT [0,1,0,1,0,0|2,0,0]=4 2900 B13R2.148 NC1(CC1)Cc2ccc(cc2)Cl 1P00C2JH [0,1,0,1,0,0|2,0,0]=4 2901 B13R2.148 NC1(CC1)Cc2ccc(cc2)Cl 1P00J2K8 [0,1,0,1,0,0|2,0,0]=4 2902 B13R2.148 NC1(CC1)Cc2ccc(cc2)F 1P01C1SX [0,1,0,1,0,0|2,0,0]=4 2903 B13R2.148 OC1(CC1)Cc2ccc(cc2)Br 1P028WSG [0,1,0,1,0,0|2,0,0]=4 2904 B13R2.148 OC1(CC1)Cc2ccc(cc2)F 1P01AGS7 [0,1,0,1,0,0|2,0,0]=4 2905 B13R2.1069 Brc1ccc(cc1)CC2CNC2 1P01B7QG [0,1,0,1,0,0|2,0,0]=4 2906 B13R2.1069 Brc1ccc(cc1)CC2COC2 1P016PT9 [0,1,0,1,0,0|2,0,0]=4 2907 B13R2.1069 Brc1ccc(cc1)CN2CCC2 1P003DEX [0,1,0,1,0,0|2,0,0]=4 2908 B13R2.1069 Brc1ccc(cc1)NC2CCC2 1P01FJ4U [0,1,0,1,0,0|2,0,0]=4 2909 B13R2.1069 Brc1ccc(cc1)OC2CCC2 1P009WM6 [0,1,0,1,0,0|2,0,0]=4 2910 B13R2.1069 Cc1ccc(cc1)CC2CNC2 1P01B6RM [0,1,0,1,0,0|2,0,0]=4 2911 B13R2.1069 Cc1ccc(cc1)NC2CCC2 1P01B0MV [0,1,0,1,0,0|2,0,0]=4 2912 B13R2.1069 Clc1ccc(cc1)CC2CNC2 1P019U9K [0,1,0,1,0,0|2,0,0]=4 2913 B13R2.1069 Fc1ccc(cc1)CC2CNC2 1P006ESD [0,1,0,1,0,0|2,0,0]=4 2914 B13R2.1069 Fc1ccc(cc1)CC2CNC2 1P019TKJ [0,1,0,1,0,0|2,0,0]=4 2915 B13R2.1069 Fc1ccc(cc1)NC2CCC2 1P01B0MD [0,1,0,1,0,0|2,0,0]=4 2916 B13R2.1069 Fc1ccc(cc1)NC2CCC2 1P01FKR7 [0,1,0,1,0,0|2,0,0]=4 2917 B13R2.1069 Ic1ccc(cc1)OC2CCC2 1P009WM7 [0,1,0,1,0,0|2,0,0]=4 2918 B13R2.1069 Nc1ccc(cc1)OC2CCC2 1P01BZTW [0,1,0,1,0,0|2,0,0]=4 2919 B13R2.1069 Oc1ccc(cc1)CC2CCC2 1P028KNA [0,1,0,1,0,0|1,0,0]=3 2920 B13R2.1069 Oc1ccc(cc1)OC2CCC2 1P01B5PQ [0,1,0,1,0,0|2,0,0]=4 2921 B13R2.3028 Brc1ccc2c(c1)C(=O)C(C2)C 1P0021VC [0,1,0,1,0,0|2,0,0]=4 2922 B13R2.3028 Brc1ccc2c(c1)N(C)C(=O)C2 1P003AQX [0,1,0,1,0,0|1,0,1]=4 2923 B13R2.3028 Brc1ccc2c(c1)n(C)c(n2)C 1P00IKRF [0,1,0,1,0,0|1,0,1]=4 2924 B13R2.3028 CC1Cc2c(C1N)cc(cc2)C 1P01A5SX [0,1,0,1,0,0|2,0,0]=4 2925 B13R2.3028 CC1Cc2c(C1N)cc(cc2)F 1P019ZG4 [0,1,0,1,0,0|2,0,0]=4 2926 B13R2.3028 CC1Oc2c(C1C)cc(cc2)Br 1P01FIZY [0,1,0,1,0,0|2,0,0]=4 2927 B13R2.3028 C[C@H]1Cc2c([C@@H]1N)cc(cc2)C 1P01C5CS [0,1,0,1,0,0|2,0,0]=4 2928 B13R2.3028 C[C@H]1Cc2c([C@H]1O)cc(cc2)C 1P01B75K [0,1,0,1,0,0|2,0,0]=4 2929 B13R2.3028 Cc1ccc2c(c1)C(=O)C(C2)C 1P00FHCC [0,1,0,1,0,0|2,0,0]=4 2930 B13R2.3028 Cc1ccc2c(c1)C(=O)[C@@H](C2)C 1P0293MV [0,1,0,1,0,0|2,0,0]=4 2931 B13R2.3028 Cc1ccc2c(c1)C(=O)[C@H](C2)C 1P027V8X [0,1,0,1,0,0|2,0,0]=4 2932 B13R2.3028 Clc1ccc2c(c1)C(=O)C(C2)C 1P00CAS8 [0,1,0,1,0,0|2,0,0]=4 2933 B13R2.3028 Clc1ccc2c(c1)N(C)C(=O)C2 1P01QJ0L [0,1,0,1,0,0|1,0,1]=4 2934 B13R2.3028 Clc1ccc2c(c1)N(C)C(=S)C2 1P01AJBW [0,1,0,1,0,0|1,0,1]=4 2935 B13R2.3028 Clc1ccc2c(c1)n(C)c(n2)C 1P00B1RM [0,1,0,1,0,0|1,0,1]=4 2936 B13R2.3028 Fc1ccc2c(c1)C(=O)C(C2)C 1P0037RA [0,1,0,1,0,0|2,0,0]=4 2937 B13R2.3028 Fc1ccc2c(c1)N(C)C(=O)C2 1P00M7B7 [0,1,0,1,0,0|1,0,1]=4 2938 B13R2.3028 Fc1ccc2c(c1)n(C)c(c2)C 1P027W6B [0,1,0,1,0,0|0,0,2]=4 2939 B13R2.3028 Ic1ccc2c(c1)C(=O)C(C2)C 1P02237P [0,1,0,1,0,0|2,0,0]=4 2940 B13R2.3028 Nc1ccc2c(c1)N(C)C(=O)C2 1P00GAQX [0,1,0,1,0,0|1,0,1]=4 2941 B13R2.3028 Nc1ccc2c(c1)n(C)c(n2)C 1P00CX0A [0,1,0,1,0,0|1,0,1]=4 2942 B13R2.3683 CC1CCc2c(C1)ccc(c2)N 1P028UEV [0,1,0,1,0,0|1,0,0]=3 2943 B13R2.3683 CC1CCc2c(C1)cnc(c2)N 1P02925G [0,1,0,1,0,0|2,0,0]=4 2944 B13R2.3683 CC1CCc2c(N1)ccc(c2)Br 1P00CRD9 [0,1,0,1,0,0|2,0,0]=4 2945 B13R2.3683 CC1CCc2c(N1)ccc(c2)C 1P001VT0 [0,1,0,1,0,0|2,0,0]=4 2946 B13R2.3683 CC1CCc2c(N1)ccc(c2)F 1P00I8Q4 [0,1,0,1,0,0|2,0,0]=4 2947 B13R2.3683 CC1CCc2c(N1)ccc(c2)N 1P00IBW1 [0,1,0,1,0,0|2,0,0]=4 2948 B13R2.3683 CC1NCc2c(C1)ccc(c2)Br 1P00G8PM [0,1,0,1,0,0|0,0,0]=2 2949 B13R2.3683 CC1NCc2c(C1)ccc(c2)Br 1P01A49U [0,1,0,1,0,0|0,0,0]=2 2950 B13R2.3683 CC1NCc2c(C1)ccc(c2)F 1P01FKR0 [0,1,0,1,0,0|0,0,0]=2 2951 B13R2.3683 CN1CCc2c(C1)ccc(c2)Br 1P00EKHD [0,1,0,1,0,0|2,0,0]=4 2952 B13R2.3683 CN1CCc2c(C1)ccc(c2)N 1P001G5X [0,1,0,1,0,0|2,0,0]=4 2953 B13R2.3683 CN1CCc2c(C1)ccc(c2)N 1P01FSZ6 [0,1,0,1,0,0|2,0,0]=4 2954 B13R2.3683 CN1CCc2c(C1)ccc(c2)O 1P001G5W [0,1,0,1,0,0|2,0,0]=4 2955 B13R2.3683 NC1CCc2c(C1)ccc(c2)Br 1P0014ZH [0,1,0,1,0,0|2,0,0]=4 2956 B13R2.3683 NC1CCc2c(C1)ccc(c2)Br 1P001XSN [0,1,0,1,0,0|2,0,0]=4 2957 B13R2.3683 NC1CCc2c(C1)ccc(c2)C 1P028C9F [0,1,0,1,0,0|2,0,0]=4 2958 B13R2.3683 NC1CCc2c(C1)ccc(c2)Cl 1P006TKS [0,1,0,1,0,0|2,0,0]=4 2959 B13R2.3683 NC1CCc2c(C1)ccc(c2)N 1P01BBYF [0,1,0,1,0,0|2,0,0]=4 2960 B13R2.3683 NC1CCc2c(C1)ccc(c2)O 1P01A6YL [0,1,0,1,0,0|2,0,0]=4 2961 B13R2.3683 O=C1NCc2c(C1)ccc(c2)Br 1P005Y05 [0,1,0,1,0,0|1,0,1]=4 2962 B13R2.3683 O=C1NCc2c(C1)ccc(c2)O 1P00DFMM [0,1,0,1,0,0|1,0,1]=4 2963 B13R2.3683 OC1CCc2c(C1)ccc(c2)Br 1P001ZSU [0,1,0,1,0,0|2,0,0]=4 2964 B13R2.3683 OC1CCc2c(C1)ccc(c2)F 1P00G5S2 [0,1,0,1,0,0|2,0,0]=4 2965 B13R2.54 CCN1Cc2c(C1)cccc2N 1P01A598 [0,1,0,1,0,0|2,0,0]=4 2966 B13R2.54 CNC1Cc2c(C1)cccc2C 1P0280TU [0,1,0,1,0,0|0,0,0]=2 2967 B13R2.54 CNC1Cc2c(C1)cccc2Cl 1P028MYJ [0,1,0,1,0,0|0,0,0]=2 2968 B13R2.136 NC[C@@H]1C[C@H]1c2cccc(c2)F 1P01XA6O [0,1,0,1,0,0|2,0,0]=4 2969 B13R2.150 CC1CNC1c2cccc(c2)C 1P01DWIR [0,1,0,1,0,0|2,0,0]=4 2970 B13R2.152 Brc1cccc(c1)CC2(N)CC2 1P01C83F [0,1,0,1,0,0|2,0,0]=4 2971 B13R2.152 Clc1cccc(c1)CC2(N)CC2 1P01C53E [0,1,0,1,0,0|2,0,0]=4 2972 B13R2.152 Fc1cccc(c1)CC2(C)CO2 1P028JYZ [0,1,0,1,0,0|1,0,0]=3 2973 B13R2.152 Fc1cccc(c1)CC2(N)CC2 1P0288MM [0,1,0,1,0,0|2,0,0]=4 2974 B13R2.155 Brc1cc2CC(=O)NCc2cc1 1P019F4E [0,1,0,1,0,0|1,0,1]=4 2975 B13R2.155 CC1CCc2c(N1)cc(cc2)F 1P00E8UI [0,1,0,1,0,0|2,0,0]=4 2976 B13R2.155 CC1Cc2cc(Br)ccc2CN1 1P00GSMS [0,1,0,1,0,0|0,0,0]=2 2977 B13R2.155 CC1Cc2cc(F)ccc2CN1 1P01DWCB [0,1,0,1,0,0|0,0,0]=2 2978 B13R2.155 CC1Cc2cc(F)ccc2NC1 1P0281UQ [0,1,0,1,0,0|2,0,0]=4 2979 B13R2.155 CC1Cc2cc(N)cnc2CC1 1P027TP3 [0,1,0,1,0,0|2,0,0]=4 2980 B13R2.155 CC1NCc2c(C1)cc(cc2)C 1P0288S8 [0,1,0,1,0,0|0,0,0]=2 2981 B13R2.155 CC1NCc2c(C1)cc(cc2)N 1P028BYX [0,1,0,1,0,0|0,0,0]=2 2982 B13R2.155 CN1Cc2cc(Br)ccc2CC1 1P007O16 [0,1,0,1,0,0|2,0,0]=4 2983 B13R2.155 CN1Cc2cc(N)ccc2CC1 1P001G5V [0,1,0,1,0,0|2,0,0]=4 2984 B13R2.155 NC1CCc2c(C1)cc(cc2)N 1P01BAEH [0,1,0,1,0,0|2,0,0]=4 2985 B13R2.155 NC1Cc2cc(Br)ccc2CC1 1P004789 [0,1,0,1,0,0|2,0,0]=4 2986 B13R2.155 NC1Cc2cc(Br)ccc2CC1 1P009320 [0,1,0,1,0,0|2,0,0]=4 2987 B13R2.155 NC1Cc2cc(Cl)ccc2CC1 1P000HSC [0,1,0,1,0,0|2,0,0]=4 2988 B13R2.155 NC1Cc2cc(F)ccc2CC1 1P001ZTP [0,1,0,1,0,0|2,0,0]=4 2989 B13R2.155 OC1CCc2c(C1)cc(cc2)O 1P028RFG [0,1,0,1,0,0|2,0,0]=4 2990 B13R2.155 OC1Cc2cc(Br)ccc2CC1 1P01DWAH [0,1,0,1,0,0|2,0,0]=4 2991 B13R2.3021 Brc1cccc(c1)CC2CCC2 1P01BVOW [0,1,0,1,0,0|1,0,0]=3 2992 B13R2.3021 Brc1cccc(c1)CC2CNC2 1P01BW74 [0,1,0,1,0,0|2,0,0]=4 2993 B13R2.3021 Brc1cccc(c1)NC2CCC2 1P01B0MC [0,1,0,1,0,0|2,0,0]=4 2994 B13R2.3021 Brc1cccc(c1)NC2CCC2 1P01FJ4T [0,1,0,1,0,0|2,0,0]=4 2995 B13R2.3021 Brc1cccc(c1)OC2CCC2 1P009WMB [0,1,0,1,0,0|2,0,0]=4 2996 B13R2.3021 Cc1cccc(c1)CC2CNC2 1P01B74N [0,1,0,1,0,0|2,0,0]=4 2997 B13R2.3021 Clc1cccc(c1)CC2CNC2 1P01JM7I [0,1,0,1,0,0|2,0,0]=4 2998 B13R2.3021 Fc1cccc(c1)CC2CNC2 1P019TLA [0,1,0,1,0,0|2,0,0]=4 2999 B13R2.3021 Fc1cccc(c1)NC2CCC2 1P01B0M8 [0,1,0,1,0,0|2,0,0]=4 3000 B13R2.3021 Nc1cccc(c1)OC2CCC2 1P027ZFZ [0,1,0,1,0,0|2,0,0]=4 3001 B13R2.3021 Nc1cccc(c1)OC2CCC2 1P028VCK [0,1,0,1,0,0|2,0,0]=4 3002 B13R2.4856 CC1Cc2c(C1=O)c(Br)ccc2 1P00BK78 [0,1,0,1,0,0|2,0,0]=4 3003 B13R2.4856 CC1Cc2c(C1=O)c(Cl)ccc2 1P00BK79 [0,1,0,1,0,0|2,0,0]=4 3004 B13R2.4856 O=C1Cc2c(N1C)c(Br)ccc2 1P01DMJQ [0,1,0,1,0,0|1,0,1]=4 3005 B13R2.4856 O=C1Cc2c(N1C)c(C)ccc2 1P0062SW [0,1,0,1,0,0|1,0,1]=4 3006 B13R2.5179 CC1CCc2c(N1)cccc2O 1P01DVF9 [0,1,0,1,0,0|2,0,0]=4 3007 B13R2.5179 CC1CCc2c(N1)cccc2O 1P028YQQ [0,1,0,1,0,0|2,0,0]=4 3008 B13R2.5179 CC1Cc2cccc(c2NC1)O 1P01DR7A [0,1,0,1,0,0|2,0,0]=4 3009 B13R2.5179 CN1CCc2c(C1)cccc2Br 1P021MP3 [0,1,0,1,0,0|2,0,0]=4 3010 B13R2.5179 CN1CCc2c(C1)cccc2N 1P019XK0 [0,1,0,1,0,0|2,0,0]=4 3011 B13R2.5179 CN1CCc2c(C1)cccc2N 1P01A7WD [0,1,0,1,0,0|2,0,0]=4 3012 B13R2.5179 CN1CCc2c(C1)cccc2O 1P001G5U [0,1,0,1,0,0|2,0,0]=4 3013 B13R2.5179 NC1CCc2c(C1)cccc2C 1P02858Y [0,1,0,1,0,0|2,0,0]=4 3014 B13R2.5179 O=C1NCc2c(C1)cccc2Br 1P00LJ01 [0,1,0,1,0,0|1,0,1]=4 3015 B13R2.5179 O=C1NCc2c(C1)cccc2F 1P0289QU [0,1,0,1,0,0|1,0,1]=4 3016 B13R2.5190 Brc1ccc2c(c1)CC(=O)N2C 1P002KBA [0,1,0,1,0,0|1,0,1]=4 3017 B13R2.5190 Brc1ccc2c(c1)CC(C2=O)C 1P00930E [0,1,0,1,0,0|2,0,0]=4 3018 B13R2.5190 Brc1ccc2c(c1)nc(n2C)C 1P00IKRH [0,1,0,1,0,0|1,0,1]=4 3019 B13R2.5190 CC1Cc2c(C1N)ccc(c2)Br 1P027ZXK [0,1,0,1,0,0|2,0,0]=4 3020 B13R2.5190 Cc1ccc2c(c1)CC(=O)N2C 1P01BD0H [0,1,0,1,0,0|1,0,1]=4 3021 B13R2.5190 Cc1ccc2c(c1)CC(=S)N2C 1P01AJBU [0,1,0,1,0,0|1,0,1]=4 3022 B13R2.5190 Clc1ccc2c(c1)CC(=O)N2C 1P01B8IN [0,1,0,1,0,0|1,0,1]=4 3023 B13R2.5190 Clc1ccc2c(c1)CC(C2=O)C 1P00EL0O [0,1,0,1,0,0|2,0,0]=4 3024 B13R2.5190 Fc1ccc2c(c1)CC(C2=O)C 1P00BXTT [0,1,0,1,0,0|2,0,0]=4 3025 B13R2.5190 Nc1ccc2c(c1)CC(=O)N2C 1P002KB9 [0,1,0,1,0,0|1,0,1]=4 3026 B13R2.5190 Nc1ccc2c(c1)CC(=O)N2C 1P01BG8K [0,1,0,1,0,0|1,0,1]=4 3027 B13R2.5190 Nc1ccc2c(c1)cc(n2C)C 1P00G50D [0,1,0,1,0,0|0,0,2]=4 3028 B13R2.5190 Nc1ccc2c(c1)cc(n2C)C 1P00J1NE [0,1,0,1,0,0|0,0,2]=4 3029 B13R2.5190 Nc1ccc2c(c1)nc(n2C)C 1P00C8NZ [0,1,0,1,0,0|1,0,1]=4 3030 B13R2.5190 Nc1ccc2c(c1)nc(n2C)C 1P01DXOL [0,1,0,1,0,0|1,0,1]=4 3031 B13R2.5190 Oc1ccc2c(c1)CC(=O)N2C 1P00EJJL [0,1,0,1,0,0|1,0,1]=4 3032 B13R2.5190 Oc1ccc2c(c1)CC(C2C)C 1P01BU4F [0,1,0,1,0,0|1,0,0]=3 3033 B13R2.5190 Oc1ccc2c(c1)cc(n2C)C 1P007NZQ [0,1,0,1,0,0|0,0,2]=4 3034 B13R2.5190 Oc1ccc2c(c1)nc(n2C)C 1P00CX14 [0,1,0,1,0,0|1,0,1]=4 3035 B13R2.5190 Sc1ccc2c(c1)CC(=O)N2C 1P001XFQ [0,1,0,1,0,0|1,0,1]=4 3036 B13R2.101 BrCC1(CC1)Cc2ccccc2 1P01BLVJ [0,1,0,1,0,0|1,0,0]=3 3037 B13R2.101 NCC1(CC1)Sc2ccccc2 1P01AHMW [0,1,0,1,0,0|2,0,0]=4 3038 B13R2.101 OCC1(CC1)Cc2ccccc2 1P01DXQW [0,1,0,1,0,0|1,0,0]=3 3039 B13R2.103 CCC1(N)Cc2c(C1)cccc2 1P027U6Q [0,1,0,1,0,0|1,0,0]=3 3040 B13R2.103 CNC1(C)Cc2c(C1)cccc2 1P029145 [0,1,0,1,0,0|0,0,0]=2 3041 B13R2.103 NCC1(C)Cc2c(C1)cccc2 1P01A4KP [0,1,0,1,0,0|2,0,0]=4 3042 B13R2.103 NCC1(O)Cc2c(C1)cccc2 1P00AHYF [0,1,0,1,0,0|2,0,0]=4 3043 B13R2.103 NCC1(O)Cc2c(C1)cccc2 1P028Y10 [0,1,0,1,0,0|2,0,0]=4 3044 B13R2.103 O=CC1(C)Cc2c(C1)cccc2 1P01DX8K [0,1,0,1,0,0|2,0,0]=4 3045 B13R2.103 OCC1(C)Cc2c(C1)cccc2 1P01DX3P [0,1,0,1,0,0|2,0,0]=4 3046 B13R2.103 OCC1(C)Cc2c(N1)cccc2 1P01ANVF [0,1,0,1,0,0|2,0,0]=4 3047 B13R2.103 OCC1(N)Cc2c(C1)cccc2 1P0012WX [0,1,0,1,0,0|2,0,0]=4 3048 B13R2.103 OCC1(N)Cc2c(C1)cccc2 1P0092QG [0,1,0,1,0,0|2,0,0]=4 3049 B13R2.219 CC1(C)CNC1c2ccccc2 1P019XK8 [0,1,0,1,0,0|2,0,0]=4 3050 B13R2.222 CC1(C)CCc2c(C1)cccn2 1P028JCG [0,1,0,1,0,0|2,0,0]=4 3051 B13R2.222 CC1(C)CCc2c(N1)cccc2 1P00BH4W [0,1,0,1,0,0|2,0,0]=4 3052 B13R2.222 CC1(C)CCc2c(N1)cccc2 1P028O5S [0,1,0,1,0,0|2,0,0]=4 3053 B13R2.222 CC1(C)CCc2c(O1)cccc2 1P000Q58 [0,1,0,1,0,0|2,0,0]=4 3054 B13R2.222 CC1(C)CNc2c(C1)cccc2 1P007TED [0,1,0,1,0,0|2,0,0]=4 3055 B13R2.222 CC1(C)CNc2c(C1)cccc2 1P028IZ0 [0,1,0,1,0,0|2,0,0]=4 3056 B13R2.222 CC1(C)NCc2c(C1)cccc2 1P00HYLA [0,1,0,1,0,0|0,0,0]=2 3057 B13R2.222 CC1(N)CCc2c(C1)cccc2 1P019QCG [0,1,0,1,0,0|1,0,0]=3 3058 B13R2.222 CC1(N)CCc2c(C1)cccc2 1P027WUO [0,1,0,1,0,0|1,0,0]=3 3059 B13R2.222 CC1(O)CCc2c(C1)cccc2 1P01AIT0 [0,1,0,1,0,0|1,0,0]=3 3060 B13R2.222 O=S1(=O)NCc2c(C1)cccc2 1P01X9Z7 [0,1,0,1,0,0|2,0,0]=4 3061 B13R2.243 NC1c2ccccc2CC1(C)C 1P028V78 [0,1,0,1,0,0|2,0,0]=4 3062 B13R2.243 O=C1c2ccccc2CC1(C)C 1P007GKO [0,1,0,1,0,0|2,0,0]=4 3063 B13R2.243 OC1c2ccccc2CC1(C)C 1P00I04E [0,1,0,1,0,0|2,0,0]=4 3064 B13R2.162 CC1CCc2c(N1)c(Br)ccc2 1P0291FQ [0,1,0,1,0,0|2,0,0]=4 3065 B13R2.162 CC1CCc2c(N1)c(O)ccc2 1P0059KP [0,1,0,1,0,0|2,0,0]=4 3066 B13R2.162 CC1NCc2c(C1)c(Br)ccc2 1P028S1U [0,1,0,1,0,0|0,0,0]=2 3067 B13R2.162 CC1NCc2c(C1)c(N)ccc2 1P01B1V7 [0,1,0,1,0,0|0,0,0]=2 3068 B13R2.162 CN1CCc2c(C1)c(O)ccc2 1P01K1YS [0,1,0,1,0,0|2,0,0]=4 3069 B13R2.162 NC1CCc2c(C1)c(Br)ccc2 1P0280NO [0,1,0,1,0,0|2,0,0]=4 3070 B13R2.162 OC1CCc2c(C1)c(N)ccc2 1P00ECTA [0,1,0,1,0,0|2,0,0]=4 3071 B13R2.215 NC1CCC1c2ccccc2Cl 1P01A380 [0,1,0,1,0,0|2,0,0]=4 3072 B13R2.215 NC1CCC1c2ccccc2Cl 1P01AJWL [0,1,0,1,0,0|2,0,0]=4 3073 B13R2.217 Brc1ccccc1CC2(N)CC2 1P01AM1J [0,1,0,1,0,0|2,0,0]=4 3074 B13R2.217 Cc1ccccc1CC2(N)CC2 1P00J2JL [0,1,0,1,0,0|2,0,0]=4 3075 B13R2.217 Clc1ccccc1CC2(O)CC2 1P00HIB9 [0,1,0,1,0,0|2,0,0]=4 3076 B13R2.567 OC[C@@H]1C[C@H]1c2ccccc2C 1P01WK6N [0,1,0,1,0,0|2,0,0]=4 3077 B13R2.4825 Brc1cccc2c1nc(n2C)C 1P01ENLV [0,1,0,1,0,0|1,0,1]=4 3078 B13R2.4825 CC1Cc2c(C1=O)cccc2Br 1P0020CP [0,1,0,1,0,0|2,0,0]=4 3079 B13R2.4825 CC1Cc2c(C1=O)cccc2Cl 1P002P0Q [0,1,0,1,0,0|2,0,0]=4 3080 B13R2.4825 CC1Cc2c(C1=O)cccc2F 1P00DMC0 [0,1,0,1,0,0|2,0,0]=4 3081 B13R2.4825 CC1Cc2c(C1N)cccc2Cl 1P01FJP9 [0,1,0,1,0,0|2,0,0]=4 3082 B13R2.4825 O=C1Cc2c(N1C)cccc2Br 1P00GVV2 [0,1,0,1,0,0|1,0,1]=4 3083 B13R2.4825 O=C1Cc2c(N1C)cccc2Cl 1P01XCN1 [0,1,0,1,0,0|1,0,1]=4 3084 B13R2.4825 O=C1Cc2c(N1C)cccc2N 1P00G8D9 [0,1,0,1,0,0|1,0,1]=4 3085 B13R2.5225 Brc1ccccc1CC2CNC2 1P01BY89 [0,1,0,1,0,0|2,0,0]=4 3086 B13R2.5225 Brc1ccccc1CC2COC2 1P016PT7 [0,1,0,1,0,0|2,0,0]=4 3087 B13R2.5225 Brc1ccccc1NC2CCC2 1P01A6ZV [0,1,0,1,0,0|2,0,0]=4 3088 B13R2.5225 Brc1ccccc1NC2CCC2 1P01FJ4V [0,1,0,1,0,0|2,0,0]=4 3089 B13R2.5225 Cc1ccccc1CC2CNC2 1P01B6YQ [0,1,0,1,0,0|2,0,0]=4 3090 B13R2.5225 Clc1ccccc1CC2CNC2 1P019TFD [0,1,0,1,0,0|2,0,0]=4 3091 B13R2.5225 Fc1ccccc1CC2CNC2 1P019TEM [0,1,0,1,0,0|2,0,0]=4 3092 B13R2.5225 Fc1ccccc1NC2CCC2 1P01B0MF [0,1,0,1,0,0|2,0,0]=4 3093 B13R2.5225 Ic1ccccc1NC2CCC2 1P028IGL [0,1,0,1,0,0|2,0,0]=4 3094 B13R2.5225 Nc1ccccc1NC2CCC2 1P01C4BN [0,1,0,1,0,0|2,0,0]=4 3095 B13R2.5225 Nc1ccccc1OC2CCC2 1P027ZQQ [0,1,0,1,0,0|2,0,0]=4 3096 B13R3.1970 c1ccc2c(c1)CN3[C@@H](C2)C3 1P0285EZ [0,0,0,2,0,0|0,0,0]=2 3097 B13R3.1970 c1ccc2c(c1)CN3[C@H](C2)C3 1P0285JZ [0,0,0,2,0,0|0,0,0]=2 3098 B13R3.25 c1ccc2c(c1)[C@@H]3NC[C@@H]3C2 1P027ZOJ [0,0,0,2,0,0|2,0,0]=4 3099 B13R3.28 c1ccc2c(c1)C3OC3CC2 1P002P7X [0,0,0,2,0,0|2,0,0]=4 3100 B9R1.12 CCCCc1ccco1 1P003HAJ [1,0,0,0,1,0|2,0,0]=4 3101 B9R1.12 CCCCc1cccs1 1P001DL3 [1,0,0,0,1,0|2,0,0]=4 3102 B9R1.12 CCCCc1cscc1 1P003JMD [1,0,0,0,1,0|2,0,0]=4 3103 B9R1.12 CNCCc1[nH]cnc1 1P001VOS [1,0,0,0,1,0|2,0,0]=4 3104 B9R1.12 CNCCc1c[nH]nc1 1P005ZGX [1,0,0,0,1,0|2,0,0]=4 3105 B9R1.12 CNCCc1c[nH]nc1 1P00J3TC [1,0,0,0,1,0|2,0,0]=4 3106 B9R1.12 CNCCc1cc[nH]n1 1P028QZ7 [1,0,0,0,1,0|2,0,0]=4 3107 B9R1.12 CNCCc1cccs1 1P0083BL [1,0,0,0,1,0|1,0,0]=3 3108 B9R1.12 CNCCc1nccs1 1P01A2UB [1,0,0,0,1,0|2,0,0]=4 3109 B9R1.12 CNCCn1cccn1 1P01AHTQ [1,0,0,0,1,0|2,0,0]=4 3110 B9R1.12 CNCCn1cncc1 1P00J3M1 [1,0,0,0,1,0|2,0,0]=4 3111 B9R1.12 COCCc1cccs1 1P0284DO [1,0,0,0,1,0|2,0,0]=4 3112 B9R1.6 CC(=O)c1ccccc1 1P0036AX [1,0,0,0,1,0|1,0,1]=4 3113 B9R1.6 CC([n+]1ccccc1)C 1P01ERR5 [1,0,0,0,1,0|1,0,0]=3 3114 B9R1.6 CC(c1ccccc1)Br 1P003BVV [1,0,0,0,1,0|1,0,0]=3 3115 B9R1.6 CC(c1ccccc1)C 1P0032S0 [1,0,0,0,1,0|0,0,0]=2 3116 B9R1.6 CC(c1ccccc1)Cl 1P003ENS [1,0,0,0,1,0|1,0,0]=3 3117 B9R1.6 CC(c1ccccc1)N 1P00369W [1,0,0,0,1,0|0,0,0]=2 3118 B9R1.6 CC(c1ccccc1)N 1P009X79 [1,0,0,0,1,0|0,0,0]=2 3119 B9R1.6 CC(c1ccccc1)S 1P003COW [1,0,0,0,1,0|1,0,0]=3 3120 B9R1.6 CC(c1ccccn1)Br 1P005XKU [1,0,0,0,1,0|2,0,0]=4 3121 B9R1.6 CC(c1ccccn1)Br 1P019XVD [1,0,0,0,1,0|2,0,0]=4 3122 B9R1.6 CC(c1ccccn1)C 1P00E98K [1,0,0,0,1,0|1,0,0]=3 3123 B9R1.6 CC(c1ccccn1)Cl 1P00AO5F [1,0,0,0,1,0|2,0,0]=4 3124 B9R1.6 CC(c1ccccn1)N 1P0039UO [1,0,0,0,1,0|1,0,0]=3 3125 B9R1.6 CC(c1ccccn1)N 1P003DC9 [1,0,0,0,1,0|1,0,0]=3 3126 B9R1.6 CC(c1ccccn1)O 1P003F63 [1,0,0,0,1,0|2,0,0]=4 3127 B9R1.6 CC(c1cccnc1)Br 1P019XJX [1,0,0,0,1,0|2,0,0]=4 3128 B9R1.6 CC(c1cccnc1)Cl 1P0169EF [1,0,0,0,1,0|2,0,0]=4 3129 B9R1.6 CC(c1cccnc1)N 1P000HRO [1,0,0,0,1,0|1,0,0]=3 3130 B9R1.6 CC(c1cccnc1)N 1P003DEG [1,0,0,0,1,0|1,0,0]=3 3131 B9R1.6 CC(c1cccnc1)O 1P003IG7 [1,0,0,0,1,0|2,0,0]=4 3132 B9R1.6 CC(c1cccnn1)N 1P01KX69 [1,0,0,0,1,0|2,0,0]=4 3133 B9R1.6 CC(c1ccncc1)Br 1P019XJY [1,0,0,0,1,0|2,0,0]=4 3134 B9R1.6 CC(c1ccncc1)C 1P003M2H [1,0,0,0,1,0|1,0,0]=3 3135 B9R1.6 CC(c1ccncc1)Cl 1P0169EG [1,0,0,0,1,0|2,0,0]=4 3136 B9R1.6 CC(c1ccncc1)N 1P001ZXP [1,0,0,0,1,0|1,0,0]=3 3137 B9R1.6 CC(c1ccncc1)N 1P003DHP [1,0,0,0,1,0|1,0,0]=3 3138 B9R1.6 CC(c1ccncc1)N 1P01C1JO [1,0,0,0,1,0|1,0,0]=3 3139 B9R1.6 CC(c1ccncc1)O 1P002NIX [1,0,0,0,1,0|2,0,0]=4 3140 B9R1.6 CC(c1ccncn1)N 1P000P00 [1,0,0,0,1,0|2,0,0]=4 3141 B9R1.6 CC(c1ccnnc1)N 1P0003H4 [1,0,0,0,1,0|2,0,0]=4 3142 B9R1.6 CC(c1ccnnc1)N 1P00HDEA [1,0,0,0,1,0|2,0,0]=4 3143 B9R1.6 CC(c1cnccn1)N 1P0027E6 [1,0,0,0,1,0|2,0,0]=4 3144 B9R1.6 CC(c1cncnc1)N 1P01K4D6 [1,0,0,0,1,0|2,0,0]=4 3145 B9R1.6 CC(c1ncccn1)N 1P001W91 [1,0,0,0,1,0|2,0,0]=4 3146 B9R1.6 CC(c1ncccn1)N 1P01EIIZ [1,0,0,0,1,0|2,0,0]=4 3147 B9R1.6 CC(c1nccnc1)N 1P01EII2 [1,0,0,0,1,0|2,0,0]=4 3148 B9R1.6 CN(c1ccccc1)C 1P003T1K [1,0,0,0,1,0|1,0,0]=3 3149 B9R1.6 CN(c1ccccc1)N 1P003EY0 [1,0,0,0,1,0|1,0,0]=3 3150 B9R1.6 CN(c1ccccc1)N 1P00EKZW [1,0,0,0,1,0|1,0,0]=3 3151 B9R1.6 CN(c1ccccn1)C 1P003BOB [1,0,0,0,1,0|2,0,0]=4 3152 B9R1.6 CN(c1ccccn1)N 1P00736N [1,0,0,0,1,0|2,0,0]=4 3153 B9R1.6 CN(c1cccnc1)C 1P0075WN [1,0,0,0,1,0|2,0,0]=4 3154 B9R1.6 CN(c1ccncc1)C 1P0034HE [1,0,0,0,1,0|2,0,0]=4 3155 B9R1.6 CN(c1ccncc1)C 1P003LRE [1,0,0,0,1,0|2,0,0]=4 3156 B9R1.6 CN(c1ccncc1)N 1P01E1AT [1,0,0,0,1,0|2,0,0]=4 3157 B9R1.6 CP(c1ccccc1)C 1P003Q45 [1,0,0,0,1,0|1,0,0]=3 3158 B9R1.6 CP(c1ccccc1)C 1P00BHDQ [1,0,0,0,1,0|1,0,0]=3 3159 B9R1.6 CP(c1ccncc1)C 1P028LIG [1,0,0,0,1,0|2,0,0]=4 3160 B9R1.6 CS(=O)c1ccccc1 1P000J0D [1,0,0,0,1,0|2,0,0]=4 3161 B9R1.6 C[C@@H](c1ccccc1)N 1P0032WG [1,0,0,0,1,0|0,0,0]=2 3162 B9R1.6 C[C@@H](c1ccccc1)O 1P00HXJL [1,0,0,0,1,0|1,0,0]=3 3163 B9R1.6 C[C@@H](c1ccccc1)S 1P01BVUY [1,0,0,0,1,0|1,0,0]=3 3164 B9R1.6 C[C@@H](c1ccccn1)N 1P002VEV [1,0,0,0,1,0|1,0,0]=3 3165 B9R1.6 C[C@@H](c1ccccn1)N 1P00CJBI [1,0,0,0,1,0|1,0,0]=3 3166 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [1,0,0,0,1,0|2,0,0]=4 3167 B9R1.6 C[C@@H](c1cccnc1)N 1P002VEU [1,0,0,0,1,0|1,0,0]=3 3168 B9R1.6 C[C@@H](c1cccnc1)N 1P00I8C2 [1,0,0,0,1,0|1,0,0]=3 3169 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [1,0,0,0,1,0|2,0,0]=4 3170 B9R1.6 C[C@@H](c1ccncc1)N 1P002VET [1,0,0,0,1,0|1,0,0]=3 3171 B9R1.6 C[C@@H](c1ccncc1)N 1P00CNEB [1,0,0,0,1,0|1,0,0]=3 3172 B9R1.6 C[C@@H](c1ccncc1)O 1P003CZI [1,0,0,0,1,0|2,0,0]=4 3173 B9R1.6 C[C@@H](c1ncccn1)N 1P01JVFK [1,0,0,0,1,0|2,0,0]=4 3174 B9R1.6 C[C@@H](c1nccnc1)N 1P01B2Z8 [1,0,0,0,1,0|2,0,0]=4 3175 B9R1.6 C[C@H](c1ccccc1)N 1P0032UU [1,0,0,0,1,0|0,0,0]=2 3176 B9R1.6 C[C@H](c1ccccc1)N 1P00BC58 [1,0,0,0,1,0|0,0,0]=2 3177 B9R1.6 C[C@H](c1ccccc1)O 1P0032UN [1,0,0,0,1,0|1,0,0]=3 3178 B9R1.6 C[C@H](c1ccccc1)S 1P01DWTD [1,0,0,0,1,0|1,0,0]=3 3179 B9R1.6 C[C@H](c1ccccn1)N 1P009I22 [1,0,0,0,1,0|1,0,0]=3 3180 B9R1.6 C[C@H](c1ccccn1)N 1P00DBIS [1,0,0,0,1,0|1,0,0]=3 3181 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [1,0,0,0,1,0|2,0,0]=4 3182 B9R1.6 C[C@H](c1cccnc1)N 1P000DVB [1,0,0,0,1,0|1,0,0]=3 3183 B9R1.6 C[C@H](c1cccnc1)N 1P00CKTS [1,0,0,0,1,0|1,0,0]=3 3184 B9R1.6 C[C@H](c1cccnc1)N 1P00I8C1 [1,0,0,0,1,0|1,0,0]=3 3185 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [1,0,0,0,1,0|2,0,0]=4 3186 B9R1.6 C[C@H](c1ccncc1)N 1P0004FL [1,0,0,0,1,0|1,0,0]=3 3187 B9R1.6 C[C@H](c1ccncc1)N 1P00DLCH [1,0,0,0,1,0|1,0,0]=3 3188 B9R1.6 C[C@H](c1ccncc1)O 1P002VEW [1,0,0,0,1,0|2,0,0]=4 3189 B9R1.6 C[C@H](c1cnccn1)N 1P000X0F [1,0,0,0,1,0|2,0,0]=4 3190 B9R1.6 C[C@H](c1ncccn1)N 1P01JV18 [1,0,0,0,1,0|2,0,0]=4 3191 B9R1.6 C[C@H](c1nccnc1)N 1P01C72C [1,0,0,0,1,0|2,0,0]=4 3192 B9R1.6 C[Si](c1ccccc1)C 1P00358B [1,0,0,0,1,0|0,1,0]=3 3193 B9R1.6 ClC(c1ccccc1)Cl 1P00IKXY [1,0,0,0,1,0|2,0,0]=4 3194 B9R1.6 FC(c1ccccc1)Br 1P020M24 [1,0,0,0,1,0|2,0,0]=4 3195 B9R1.6 FC(c1ccccc1)F 1P00DCHS [1,0,0,0,1,0|2,0,0]=4 3196 B9R1.6 NC(=N)c1ccccc1 1P002J4G [1,0,0,0,1,0|1,0,1]=4 3197 B9R1.6 NC(=N)c1ccccc1 1P0034Y8 [1,0,0,0,1,0|1,0,1]=4 3198 B9R1.6 NC(=N)c1ccccc1 1P003OH8 [1,0,0,0,1,0|1,0,1]=4 3199 B9R1.6 NC(=N)c1ccccc1 1P00FJIS [1,0,0,0,1,0|1,0,1]=4 3200 B9R1.6 NC(=O)c1ccccc1 1P00DOQ9 [1,0,0,0,1,0|1,0,1]=4 3201 B9R1.6 NC(=S)c1ccccc1 1P00365I [1,0,0,0,1,0|1,0,1]=4 3202 B9R1.6 NS(=O)c1ccccc1 1P001SKC [1,0,0,0,1,0|2,0,0]=4 3203 B9R1.13 CC(Cc1c[nH]cc1)N 1P01DVNP [1,0,0,0,1,0|1,0,0]=3 3204 B9R1.13 CC(Cc1c[nH]nc1)C 1P028VW1 [1,0,0,0,1,0|2,0,0]=4 3205 B9R1.13 CC(Cc1c[nH]nc1)N 1P0281LL [1,0,0,0,1,0|2,0,0]=4 3206 B9R1.13 CC(Cc1cc[nH]n1)N 1P01FJWX [1,0,0,0,1,0|2,0,0]=4 3207 B9R1.13 CC(Cc1ccco1)N 1P00EAVK [1,0,0,0,1,0|1,0,0]=3 3208 B9R1.13 CC(Cc1ccco1)O 1P003O8Y [1,0,0,0,1,0|2,0,0]=4 3209 B9R1.13 CC(Cc1cccs1)C 1P00CB7B [1,0,0,0,1,0|1,0,0]=3 3210 B9R1.13 CC(Cc1cccs1)N 1P01AAV0 [1,0,0,0,1,0|1,0,0]=3 3211 B9R1.13 CC(Cc1cocc1)N 1P019ZJ8 [1,0,0,0,1,0|1,0,0]=3 3212 B9R1.13 CC(Cc1cscc1)N 1P00IEEW [1,0,0,0,1,0|1,0,0]=3 3213 B9R1.13 CC(Cc1cscc1)N 1P019WY2 [1,0,0,0,1,0|1,0,0]=3 3214 B9R1.13 CC(Cc1cscc1)O 1P01A4LR [1,0,0,0,1,0|2,0,0]=4 3215 B9R1.13 CC(Cc1nc[nH]c1)N 1P00D351 [1,0,0,0,1,0|2,0,0]=4 3216 B9R1.13 CC(Cc1ncc[nH]1)C 1P00EERW [1,0,0,0,1,0|2,0,0]=4 3217 B9R1.13 CC(Cc1nccs1)C 1P003BP9 [1,0,0,0,1,0|2,0,0]=4 3218 B9R1.13 CC(Cn1cccn1)C 1P00ICQU [1,0,0,0,1,0|2,0,0]=4 3219 B9R1.13 CC(Cn1cncc1)N 1P0065TX [1,0,0,0,1,0|2,0,0]=4 3220 B9R1.13 CC(Cn1cncc1)N 1P0099YG [1,0,0,0,1,0|2,0,0]=4 3221 B9R1.13 CN(C=C1C=CC=C1)C 1P0069DX [1,0,0,0,1,0|1,0,1]=4 3222 B9R1.13 CN(C[C-]1C=CC=C1)C 1P000X4Q [1,0,0,0,1,0|1,0,1]=4 3223 B9R1.13 CN(Cc1ccc[nH]1)C 1P00AL1G [1,0,0,0,1,0|2,0,0]=4 3224 B9R1.13 CN(Cc1ccco1)C 1P001KUW [1,0,0,0,1,0|2,0,0]=4 3225 B9R1.13 C[C@@H](Cc1cscc1)N 1P023NMT [1,0,0,0,1,0|1,0,0]=3 3226 B9R1.13 C[C@@H](Cc1cscc1)O 1P001IXV [1,0,0,0,1,0|2,0,0]=4 3227 B9R1.13 C[C@H](Cc1cscc1)N 1P01PIYF [1,0,0,0,1,0|1,0,0]=3 3228 B9R1.13 C[C@H](Cc1cscc1)O 1P028WK6 [1,0,0,0,1,0|2,0,0]=4 3229 B9R1.13 C[C@H](Cc1nc[nH]c1)N 1P005JYD [1,0,0,0,1,0|2,0,0]=4 3230 B9R1.13 C[C@H](Cc1ncco1)N 1P0280J9 [1,0,0,0,1,0|2,0,0]=4 3231 B9R1.11 CC(c1ccon1)NC 1P00J1B9 [0,0,0,0,2,0|2,0,0]=4 3232 B9R1.11 CNC(c1ccco1)C 1P019MEE [0,0,0,0,2,0|1,0,0]=3 3233 B9R1.11 CNC(c1cccs1)C 1P00201P [0,0,0,0,2,0|1,0,0]=3 3234 B9R1.11 CNC(c1cccs1)C 1P00J3S0 [0,0,0,0,2,0|1,0,0]=3 3235 B9R1.11 CNC(c1nccs1)C 1P00J1AO [0,0,0,0,2,0|2,0,0]=4 3236 B9R1.11 CNC(c1nccs1)C 1P028A6W [0,0,0,0,2,0|2,0,0]=4 3237 B13R1.718 BrCC(COCc1ccccc1)C 1P00H2K4 [0,0,0,0,0,2|2,0,0]=4 3238 B13R1.718 CC(C#N)COCc1ccccc1 1P01GK6N [0,0,0,0,0,2|2,0,0]=4 3239 B13R1.718 CCC(CNCc1ccccc1)O 1P01A1ZZ [0,0,0,0,0,2|2,0,0]=4 3240 B13R1.718 CNC(=O)CCCc1ccccc1 1P01BI8C [0,0,0,0,0,2|1,0,1]=4 3241 B13R1.718 CNC(=O)CNCc1ccccc1 1P01BTWH [0,0,0,0,0,2|1,0,1]=4 3242 B13R1.718 CNC(=O)CNCc1ccccc1 1P01BTYI [0,0,0,0,0,2|1,0,1]=4 3243 B13R1.718 NCC(COCc1ccccc1)C 1P019XFL [0,0,0,0,0,2|2,0,0]=4 3244 B13R1.718 NCC(COCc1ccccc1)C 1P01A7YT [0,0,0,0,0,2|2,0,0]=4 3245 B13R1.718 OCC(CNCc1ccccc1)C 1P00J4EU [0,0,0,0,0,2|2,0,0]=4 3246 B13R1.718 OCC(COCc1ccccc1)C 1P00H6F1 [0,0,0,0,0,2|2,0,0]=4 3247 B13R1.718 OCC(OCCc1ccccc1)C 1P01AUZG [0,0,0,0,0,2|2,0,0]=4