0 B13R1.464 CCNC(=O)c1ccccc1C=O 1P01DZMF [0,0,0,0,0,0|3,0,0]=3 1 B13R1.464 CCOC(=O)c1ccccc1C#N 1P00EGC9 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.464 CCOC(=O)c1ccccc1C=C 1P00BYNX [0,0,0,0,0,0|1,0,1]=2 3 B13R1.464 CCOC(=O)c1ccccc1C=O 1P00I76W [0,0,0,0,0,0|2,0,0]=2 4 B13R1.464 CCOC(=O)c1ccccc1CBr 1P005L5N [0,0,0,0,0,0|2,0,0]=2 5 B13R1.464 CCOC(=O)c1ccccc1CCl 1P00HYKI [0,0,0,0,0,0|2,0,0]=2 6 B13R1.464 CCOC(=O)c1ccccc1NC 1P00CJ7M [0,0,0,0,0,0|0,0,0]=0 7 B13R1.464 CCOC(=O)c1ccccc1NC 1P028EAO [0,0,0,0,0,0|0,0,0]=0 8 B13R1.464 CCOC(=O)c1ccccc1OC 1P003QL8 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.464 CCOC(=O)c1cccnc1C#N 1P005MIY [0,0,0,0,0,0|3,0,0]=3 10 B13R1.464 CCOC(=O)c1cccnc1CCl 1P000N7P [0,0,0,0,0,0|3,0,0]=3 11 B13R1.464 CCOC(=O)c1cccnc1CN 1P00FHQZ [0,0,0,0,0,0|3,0,0]=3 12 B13R1.464 CCOC(=O)c1cccnc1CO 1P01K11B [0,0,0,0,0,0|3,0,0]=3 13 B13R1.464 CCOC(=O)c1cccnc1NC 1P019U2D [0,0,0,0,0,0|1,0,0]=1 14 B13R1.464 CCOC(=O)c1cccnc1NN 1P002Y7C [0,0,0,0,0,0|2,0,0]=2 15 B13R1.464 CCOC(=O)c1ncccc1CN 1P028B8D [0,0,0,0,0,0|3,0,0]=3 16 B13R1.464 CCOC(=O)c1ncncc1SC 1P00ELBG [0,0,0,0,0,0|3,0,0]=3 17 B13R1.464 N#CCC(=O)c1ccccc1OC 1P003I0J [0,0,0,0,0,0|3,0,1]=4 18 B12R1.77 BrCC(=O)c1ccccc1C#N 1P005ROV [1,0,0,0,0,0|3,0,0]=4 19 B12R1.77 BrCC(=O)c1ccccc1OC 1P003H30 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.77 CCC(=O)c1ccccc1CC 1P001YD3 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.77 CCC(c1ccccc1OC)N 1P0004MG [1,0,0,0,0,0|2,0,1]=4 22 B12R1.77 CCC(c1ccccc1OC)N 1P024UPL [1,0,0,0,0,0|2,0,1]=4 23 B12R1.77 CC[C@H](c1ccccc1OC)N 1P00E9MK [1,0,0,0,0,0|2,0,1]=4 24 B12R1.77 CNC(=O)c1ccccc1C=O 1P000EDL [1,0,0,0,0,0|3,0,0]=4 25 B12R1.77 CNC(=O)c1ccccc1CO 1P00I8AZ [1,0,0,0,0,0|3,0,0]=4 26 B12R1.77 CNC(=O)c1ccccc1NC 1P01BJ4F [1,0,0,0,0,0|1,0,0]=2 27 B12R1.77 CNC(=O)c1cccnc1OC 1P01DYYO [1,0,0,0,0,0|3,0,0]=4 28 B12R1.77 CNC(=O)c1ccncc1NC 1P028VZD [1,0,0,0,0,0|2,0,0]=3 29 B12R1.77 COC(=O)c1cccc[n+]1OC 1P01EWY0 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.77 COC(=O)c1ccccc1C#C 1P003999 [1,0,0,0,0,0|1,0,1]=3 31 B12R1.77 COC(=O)c1ccccc1C#N 1P003S4C [1,0,0,0,0,0|2,0,0]=3 32 B12R1.77 COC(=O)c1ccccc1C=C 1P00BFT9 [1,0,0,0,0,0|1,0,1]=3 33 B12R1.77 COC(=O)c1ccccc1C=O 1P003A3B [1,0,0,0,0,0|2,0,0]=3 34 B12R1.77 COC(=O)c1ccccc1CBr 1P007OKT [1,0,0,0,0,0|2,0,0]=3 35 B12R1.77 COC(=O)c1ccccc1CC 1P00DUHC [1,0,0,0,0,0|1,0,0]=2 36 B12R1.77 COC(=O)c1ccccc1CCl 1P003S48 [1,0,0,0,0,0|2,0,0]=3 37 B12R1.77 COC(=O)c1ccccc1CN 1P00G4Z9 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.77 COC(=O)c1ccccc1CS 1P01C64T [1,0,0,0,0,0|2,0,0]=3 39 B12R1.77 COC(=O)c1ccccc1NC 1P004R73 [1,0,0,0,0,0|0,0,0]=1 40 B12R1.77 COC(=O)c1ccccc1NN 1P00BEI6 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.77 COC(=O)c1ccccc1OC 1P003S56 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.77 COC(=O)c1ccccc1SC 1P007CSX [1,0,0,0,0,0|1,0,0]=2 43 B12R1.77 COC(=O)c1ccccc1[N+]#[C-] 1P00FAYC [1,0,0,0,0,0|0,0,2]=3 44 B12R1.77 COC(=O)c1cccnc1C#N 1P003S4D [1,0,0,0,0,0|3,0,0]=4 45 B12R1.77 COC(=O)c1cccnc1C=O 1P00BJDW [1,0,0,0,0,0|3,0,0]=4 46 B12R1.77 COC(=O)c1cccnc1CBr 1P000DX6 [1,0,0,0,0,0|3,0,0]=4 47 B12R1.77 COC(=O)c1cccnc1CC 1P01K0MX [1,0,0,0,0,0|2,0,0]=3 48 B12R1.77 COC(=O)c1cccnc1CCl 1P002604 [1,0,0,0,0,0|3,0,0]=4 49 B12R1.77 COC(=O)c1cccnc1CN 1P00AMH7 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.77 COC(=O)c1cccnc1OC 1P003S57 [1,0,0,0,0,0|2,0,0]=3 51 B12R1.77 COC(=O)c1ccncc1C#C 1P028I88 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.77 COC(=O)c1ccncc1C#N 1P007BUP [1,0,0,0,0,0|3,0,0]=4 53 B12R1.77 COC(=O)c1ccncc1C=C 1P01EMK4 [1,0,0,0,0,0|2,0,1]=4 54 B12R1.77 COC(=O)c1ccncc1C=O 1P01KKMP [1,0,0,0,0,0|3,0,0]=4 55 B12R1.77 COC(=O)c1ccncc1CBr 1P01KKX7 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.77 COC(=O)c1cnccc1CCl 1P000HTC [1,0,0,0,0,0|3,0,0]=4 57 B12R1.77 COC(=O)c1cnccc1OC 1P0005WM [1,0,0,0,0,0|2,0,0]=3 58 B12R1.77 COC(=O)c1cnncc1NC 1P028EFR [1,0,0,0,0,0|2,0,0]=3 59 B12R1.77 COC(=O)c1ncccc1C#C 1P000PT9 [1,0,0,0,0,0|2,0,1]=4 60 B12R1.77 COC(=O)c1ncccc1C#N 1P00DEEI [1,0,0,0,0,0|3,0,0]=4 61 B12R1.77 COC(=O)c1ncccc1C=O 1P0014TI [1,0,0,0,0,0|3,0,0]=4 62 B12R1.77 COC(=O)c1ncccc1CBr 1P000DX5 [1,0,0,0,0,0|3,0,0]=4 63 B12R1.77 COC(=O)c1ncccc1CN 1P01ECSB [1,0,0,0,0,0|3,0,0]=4 64 B12R1.77 COC(=O)c1ncccc1OC 1P00C297 [1,0,0,0,0,0|2,0,0]=3 65 B12R1.77 COC(=O)c1nccnc1OC 1P00CJWM [1,0,0,0,0,0|3,0,0]=4 66 B12R1.77 COC(=O)c1ncncc1OC 1P018I4I [1,0,0,0,0,0|3,0,0]=4 67 B12R1.77 COc1ncccc1C(=O)CBr 1P01BA86 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.77 FCC(=O)c1ccccc1OC 1P00C5J9 [1,0,0,0,0,0|2,0,0]=3 69 B12R1.77 N#CC(=O)c1ccccc1OC 1P0067OG [1,0,0,0,0,0|2,0,1]=4 70 B12R1.77 NCC(=O)c1ccccc1CC 1P0280NB [1,0,0,0,0,0|2,0,0]=3 71 B12R1.77 NCC(=O)c1ccccc1OC 1P00CNEI [1,0,0,0,0,0|2,0,0]=3 72 B12R1.77 NCc1ncccc1C(=O)OC 1P028E5R [1,0,0,0,0,0|3,0,0]=4 73 B12R1.77 NNC(=O)c1ccccc1NC 1P00E2Z6 [1,0,0,0,0,0|2,0,0]=3 74 B12R1.77 NNC(=O)c1ccccc1NC 1P01FJKX [1,0,0,0,0,0|2,0,0]=3 75 B12R1.77 NNC(=O)c1ccccc1OC 1P003I0G [1,0,0,0,0,0|3,0,0]=4 76 B12R1.77 O=CC(=O)c1ccccc1OC 1P003I16 [1,0,0,0,0,0|2,0,1]=4 77 B12R1.77 OCC(=C)c1ccccc1OC 1P027Y0N [1,0,0,0,0,0|3,0,0]=4 78 B12R1.77 OCC(=O)c1ccccc1OC 1P006YFY [1,0,0,0,0,0|2,0,0]=3 79 B12R1.121 CCCNc1ccccc1OC 1P01BUD5 [1,0,0,0,0,0|3,0,0]=4 80 B12R1.121 CCCOc1ccccc1NC 1P01JMG4 [1,0,0,0,0,0|2,0,0]=3 81 B12R1.121 CCNCc1ccccc1OC 1P00J27P [1,0,0,0,0,0|2,0,1]=4 82 B12R1.121 CCOCc1ccccc1C#N 1P019M3M [1,0,0,0,0,0|2,0,1]=4 83 B12R1.121 CCOCc1ccccc1CN 1P019MEY [1,0,0,0,0,0|2,0,1]=4 84 B12R1.308 C=COC(=O)c1ccccc1Cl 1P001PRS [1,0,0,0,0,0|1,0,2]=4 85 B12R1.308 CCCC(=O)c1ccccc1Cl 1P01DWP9 [1,0,0,0,0,0|2,0,0]=3 86 B12R1.308 CCCC(=O)c1ccccc1O 1P002XD6 [1,0,0,0,0,0|2,0,0]=3 87 B12R1.308 CCCC(c1ccccc1C)N 1P01AT9E [1,0,0,0,0,0|2,0,1]=4 88 B12R1.308 CCCN(c1ccccc1N)C 1P01BY8N [1,0,0,0,0,0|3,0,0]=4 89 B12R1.308 CCC[C@H](c1ccccc1C)N 1P001TCR [1,0,0,0,0,0|2,0,1]=4 90 B12R1.308 CCC[C@H](c1ccccc1C)N 1P00FAMU [1,0,0,0,0,0|2,0,1]=4 91 B12R1.308 CCNC(=O)c1ccccc1Br 1P005E2H [1,0,0,0,0,0|2,0,0]=3 92 B12R1.308 CCNC(=O)c1ccccc1N 1P00CHT6 [1,0,0,0,0,0|1,0,0]=2 93 B12R1.308 CCNC(=O)c1ccccc1O 1P00DDNV [1,0,0,0,0,0|2,0,0]=3 94 B12R1.308 CCNC(=O)c1cccnc1Cl 1P00DD6L [1,0,0,0,0,0|3,0,0]=4 95 B12R1.308 CCNC(=O)c1cccnc1N 1P018VC7 [1,0,0,0,0,0|2,0,0]=3 96 B12R1.308 CCNC(=O)c1ccncc1N 1P01XC1O [1,0,0,0,0,0|2,0,0]=3 97 B12R1.308 CCNC(=S)c1ccccc1S 1P003WTO [1,0,0,0,0,0|2,1,0]=4 98 B12R1.308 CCOC(=N)c1ccccc1Cl 1P028G0J [1,0,0,0,0,0|2,0,0]=3 99 B12R1.308 CCOC(=O)c1ccc[nH]c1=O 1P002V97 [1,0,0,0,0,0|2,0,0]=3 100 B12R1.308 CCOC(=O)c1ccccc1Br 1P003QKA [1,0,0,0,0,0|1,0,0]=2 101 B12R1.308 CCOC(=O)c1ccccc1C 1P0035BA [1,0,0,0,0,0|0,0,0]=1 102 B12R1.308 CCOC(=O)c1ccccc1Cl 1P003QKF [1,0,0,0,0,0|1,0,0]=2 103 B12R1.308 CCOC(=O)c1ccccc1F 1P003HS7 [1,0,0,0,0,0|1,0,0]=2 104 B12R1.308 CCOC(=O)c1ccccc1I 1P0024OX [1,0,0,0,0,0|1,0,0]=2 105 B12R1.308 CCOC(=O)c1ccccc1O 1P0033TD [1,0,0,0,0,0|1,0,0]=2 106 B12R1.308 CCOC(=O)c1cccnc1Br 1P00DC70 [1,0,0,0,0,0|2,0,0]=3 107 B12R1.308 CCOC(=O)c1cccnc1Cl 1P0035B7 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.308 CCOC(=O)c1cccnc1F 1P000AHN [1,0,0,0,0,0|2,0,0]=3 109 B12R1.308 CCOC(=O)c1cccnc1N 1P003QK3 [1,0,0,0,0,0|1,0,0]=2 110 B12R1.308 CCOC(=O)c1cccnc1S 1P019MY2 [1,0,0,0,0,0|2,0,0]=3 111 B12R1.308 CCOC(=O)c1ccn[nH]c1=O 1P001K42 [1,0,0,0,0,0|3,0,0]=4 112 B12R1.308 CCOC(=O)c1ccncc1Br 1P001BSJ [1,0,0,0,0,0|2,0,0]=3 113 B12R1.308 CCOC(=O)c1ccncc1Cl 1P00C4NJ [1,0,0,0,0,0|2,0,0]=3 114 B12R1.308 CCOC(=O)c1ccncc1N 1P001I6S [1,0,0,0,0,0|1,0,0]=2 115 B12R1.308 CCOC(=O)c1ccncc1O 1P00280S [1,0,0,0,0,0|2,0,0]=3 116 B12R1.308 CCOC(=O)c1ccnnc1Cl 1P001K43 [1,0,0,0,0,0|3,0,0]=4 117 B12R1.308 CCOC(=O)c1cnc[nH]c1=O 1P003QRQ [1,0,0,0,0,0|3,0,0]=4 118 B12R1.308 CCOC(=O)c1cnccc1Cl 1P00205S [1,0,0,0,0,0|2,0,0]=3 119 B12R1.308 CCOC(=O)c1cnccc1N 1P00AQA3 [1,0,0,0,0,0|1,0,0]=2 120 B12R1.308 CCOC(=O)c1cncnc1C 1P003QS5 [1,0,0,0,0,0|2,0,0]=3 121 B12R1.308 CCOC(=O)c1cncnc1Cl 1P003QQU [1,0,0,0,0,0|3,0,0]=4 122 B12R1.308 CCOC(=O)c1cncnc1N 1P003QQF [1,0,0,0,0,0|2,0,0]=3 123 B12R1.308 CCOC(=O)c1cncnc1O 1P00FH3N [1,0,0,0,0,0|3,0,0]=4 124 B12R1.308 CCOC(=O)c1ncccc1Br 1P00I8SC [1,0,0,0,0,0|2,0,0]=3 125 B12R1.308 CCOC(=O)c1ncccc1C 1P003QOV [1,0,0,0,0,0|1,0,0]=2 126 B12R1.308 CCOC(=O)c1ncccc1Cl 1P009DDO [1,0,0,0,0,0|2,0,0]=3 127 B12R1.308 CCOC(=O)c1ncccc1F 1P008UF6 [1,0,0,0,0,0|2,0,0]=3 128 B12R1.308 CCOC(=O)c1ncccc1N 1P002UFI [1,0,0,0,0,0|1,0,0]=2 129 B12R1.308 CCOC(=O)c1ncccc1O 1P00FEVV [1,0,0,0,0,0|2,0,0]=3 130 B12R1.308 CCOC(=O)c1nccnc1Cl 1P006PXP [1,0,0,0,0,0|3,0,0]=4 131 B12R1.308 CCOC(=O)c1nccnc1N 1P003QNV [1,0,0,0,0,0|2,0,0]=3 132 B12R1.308 CCOC(=O)c1ncncc1Br 1P003QT0 [1,0,0,0,0,0|3,0,0]=4 133 B12R1.308 CCOC(=O)c1ncncc1I 1P0291WS [1,0,0,0,0,0|3,0,0]=4 134 B12R1.308 CCOC(=O)c1ncncc1N 1P00F2ZQ [1,0,0,0,0,0|2,0,0]=3 135 B12R1.308 CCOC(=O)c1ncnnc1N 1P028PZF [1,0,0,0,0,0|3,0,0]=4 136 B12R1.308 CNCC(=O)c1ccccc1Cl 1P01BILJ [1,0,0,0,0,0|3,0,0]=4 137 B12R1.308 COCC(=O)c1ccccc1Cl 1P028NT2 [1,0,0,0,0,0|3,0,0]=4 138 B12R1.308 COCC(=O)c1ccccc1F 1P0285IF [1,0,0,0,0,0|3,0,0]=4 139 B12R1.308 CONC(=O)c1ccccc1N 1P01DUJU [1,0,0,0,0,0|2,0,0]=3 140 B12R1.308 Cc1ccncc1C(=O)OCC 1P00DIJF [1,0,0,0,0,0|1,0,0]=2 141 B12R1.308 Cc1cnncc1C(=O)OCC 1P006KI8 [1,0,0,0,0,0|2,0,0]=3 142 B12R1.308 Cc1ncccc1C(=O)OCC 1P003QLI [1,0,0,0,0,0|1,0,0]=2 143 B12R1.308 Cc1nccnc1C(=O)OCC 1P006UJF [1,0,0,0,0,0|2,0,0]=3 144 B12R1.308 Cc1nnccc1C(=O)OCC 1P00IKMY [1,0,0,0,0,0|2,0,0]=3 145 B12R1.308 ClCCC(=O)c1ccccc1F 1P00GTV0 [1,0,0,0,0,0|3,0,0]=4 146 B12R1.308 ClCCC(=O)c1ccccc1O 1P00I7LN [1,0,0,0,0,0|3,0,0]=4 147 B12R1.308 N#CCC(=O)c1ccccc1C 1P007EE7 [1,0,0,0,0,0|2,0,1]=4 148 B12R1.308 NCCC(=O)c1ccccc1N 1P0030GO [1,0,0,0,0,0|2,0,0]=3 149 B12R1.308 NCCC(=O)c1ccccc1N 1P01BAEY [1,0,0,0,0,0|2,0,0]=3 150 B14R1.95 CNC(C(=O)c1ccccc1CC)C 1P01EPPZ [0,1,0,0,0,0|3,0,0]=4 151 B14R1.95 COC(=O)C(=O)c1ccccc1OC 1P01ECJ1 [0,1,0,0,0,0|3,0,0]=4 152 B14R1.95 CON(C(=O)c1ccccc1OC)C 1P0071S4 [0,1,0,0,0,0|3,0,0]=4 153 B14R1.263 BrCCc1ccccc1C(=O)OCC 1P00220U [0,1,0,0,0,0|1,0,0]=2 154 B14R1.263 CCCC(=O)c1cnccc1CCC 1P01KA3L [0,1,0,0,0,0|3,0,0]=4 155 B14R1.263 CCCC(=O)c1cnccc1OCC 1P00I29W [0,1,0,0,0,0|3,0,0]=4 156 B14R1.263 CCOC(=O)c1ccccc1CC#N 1P002BTQ [0,1,0,0,0,0|1,0,1]=3 157 B14R1.263 CCOC(=O)c1ccccc1N=C=O 1P003FIQ [0,1,0,0,0,0|0,0,2]=3 158 B14R1.263 CCOC(=O)c1ccccc1N=C=S 1P003FIR [0,1,0,0,0,0|0,0,2]=3 159 B14R1.263 CCOC(=O)c1ccccc1N=[N+]=[N-] 1P028RCP [0,1,0,0,0,0|1,0,1]=3 160 B14R1.263 CCOC(=O)c1ccccc1NCC 1P0037RY [0,1,0,0,0,0|0,0,0]=1 161 B14R1.263 CCOC(=O)c1ccccc1OCC 1P003QKM [0,1,0,0,0,0|1,0,0]=2 162 B14R1.263 CCOC(=O)c1cccnc1N=C=S 1P027TY4 [0,1,0,0,0,0|1,0,2]=4 163 B14R1.263 CCOC(=O)c1cnccc1OCC 1P00CATN [0,1,0,0,0,0|2,0,0]=3 164 B14R1.263 CCOC(=O)c1ncccc1CC#N 1P00BJL2 [0,1,0,0,0,0|2,0,1]=4 165 B14R1.599 CCNC(=O)c1cc(Br)cnc1OC 1P01DIF7 [0,1,0,0,0,0|3,0,0]=4 166 B14R1.599 CCOC(=O)c1cc(Br)ccc1C#N 1P00MHPE [0,1,0,0,0,0|2,0,0]=3 167 B14R1.599 CCOC(=O)c1cc(Br)ccc1CBr 1P00IJ6M [0,1,0,0,0,0|2,0,0]=3 168 B14R1.599 CCOC(=O)c1cc(C)cnc1CCl 1P000N7R [0,1,0,0,0,0|3,0,0]=4 169 B14R1.599 CCOC(=O)c1cc(Cl)cnc1CCl 1P01B668 [0,1,0,0,0,0|3,0,0]=4 170 B14R1.599 CCOC(=O)c1cc(F)ccc1C#N 1P000RKI [0,1,0,0,0,0|2,0,0]=3 171 B14R1.623 CCOC(=O)c1ccccc1B(O)O 1P00BYX8 [0,1,0,0,0,0|2,0,0]=3 172 B14R1.623 CCOC(=O)c1ccccc1C(=O)C 1P0038PY [0,1,0,0,0,0|1,0,0]=2 173 B14R1.623 CCOC(=O)c1ccccc1N(C)C 1P00IACM [0,1,0,0,0,0|0,0,0]=1 174 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] 1P003QLO [0,1,0,0,0,0|1,0,1]=3 175 B14R1.623 CCOC(=O)c1cccnc1C(=O)C 1P00I953 [0,1,0,0,0,0|2,0,0]=3 176 B14R1.623 CCOC(=O)c1cccnc1C(F)F 1P01FSND [0,1,0,0,0,0|3,0,0]=4 177 B14R1.623 CCOC(=O)c1ncccc1C(=O)O 1P024TY5 [0,1,0,0,0,0|3,0,0]=4 178 B14R1.623 CCOC(=O)c1ncccc1C(C)C 1P01KLPH [0,1,0,0,0,0|2,0,0]=3 179 B14R1.623 CCOC(=O)c1ncccc1[N+](=O)[O-] 1P002M14 [0,1,0,0,0,0|2,0,1]=4 180 B14R1.840 CNc1ccccc1C(=O)OC(C)C 1P003W1I [0,1,0,0,0,0|0,0,0]=1 181 B14R1.840 COc1ccccc1C(=O)CC(=O)C 1P00F0JO [0,1,0,0,0,0|2,0,1]=4 182 B14R1.939 CCCCC(=O)c1ccccc1C#N 1P020274 [0,1,0,0,0,0|3,0,0]=4 183 B14R1.939 N#CCCC(=O)c1ccccc1OC 1P0009C7 [0,1,0,0,0,0|2,0,1]=4 184 B14R1.3188 CCNS(=O)(=O)c1ccccc1OC 1P01A8HX [0,1,0,0,0,0|3,0,0]=4 185 B14R1.7233 CCOC(=O)c1ccc(cc1OC)N 1P001FYJ [0,1,0,0,0,0|1,0,0]=2 186 B14R1.7233 CCOC(=O)c1ncc(cc1CBr)Br 1P0281PP [0,1,0,0,0,0|3,0,0]=4 187 B14R1.7233 CCOC(=O)c1ncc(cc1OC)N 1P01KKUD [0,1,0,0,0,0|2,0,0]=3 188 B14R1.7255 CCOC(=O)c1cc[nH]c(=O)c1OC 1P00HX7B [0,1,0,0,0,0|2,0,0]=3 189 B14R1.7255 CCOC(=O)c1cccc(c1CBr)Br 1P00HYX4 [0,1,0,0,0,0|2,0,0]=3 190 B14R1.7255 CCOC(=O)c1ccnc(c1OC)C 1P01C0NG [0,1,0,0,0,0|2,0,0]=3 191 B14R1.7276 CCOC(=O)c1c(Br)cccc1CBr 1P00HJN0 [0,1,0,0,0,0|2,0,0]=3 192 B14R1.7276 CCOC(=O)c1c(C)cccc1OC 1P003QL7 [0,1,0,0,0,0|1,0,0]=2 193 B14R1.7276 CCOC(=O)c1c(C)ccnc1CCl 1P01BS59 [0,1,0,0,0,0|3,0,0]=4 194 B14R1.7276 CCOC(=O)c1c(C)ccnc1CCl 1P01C11E [0,1,0,0,0,0|3,0,0]=4 195 B14R1.7276 CCOC(=O)c1c(Cl)cncc1OC 1P027UO1 [0,1,0,0,0,0|2,0,0]=3 196 B14R1.7276 CCOC(=O)c1c(F)cccc1OC 1P00G4ID [0,1,0,0,0,0|1,0,0]=2 197 B14R1.7276 CCOC(=O)c1c(OC)ccnc1Cl 1P01K1QT [0,1,0,0,0,0|2,0,0]=3 198 B14R2.52 CC1CNc2c(C(=O)N1)cccc2 1P01A4RP [0,0,0,1,0,0|1,0,0]=2 199 B14R2.52 CC1CNc2c(N(C1)C)cccc2 1P019W1L [0,0,0,1,0,0|3,0,0]=4 200 B14R2.52 CC1CSc2c(C(=O)N1)cccc2 1P01ADJZ [0,0,0,1,0,0|2,0,0]=3 201 B14R2.52 O=C1CNc2c(C(=O)N1)cccc2 1P01A4A9 [0,0,0,1,0,0|2,0,1]=4 202 B14R2.92 CCC1CCc2c(C1=O)cccc2 1P024HJW [0,0,0,1,0,0|2,0,0]=3 203 B14R2.92 CCN1CCc2c(C1=O)cccc2 1P028S4A [0,0,0,1,0,0|2,0,0]=3 204 B14R2.215 CCN1C(=O)c2c(C1=O)cccc2 1P003THD [0,0,0,1,0,0|3,0,0]=4 205 B14R2.215 NCc1c(C)c2c(n1C)cccc2 1P028Y14 [0,0,0,1,0,0|3,0,0]=4 206 B14R2.510 BrCCc1cn(c2c1cccc2)C 1P01IFUS [0,0,0,1,0,0|3,0,0]=4 207 B14R2.510 NCCc1cn(c2c1cccc2)C 1P005EAJ [0,0,0,1,0,0|3,0,0]=4 208 B14R2.510 NCCc1cn(c2c1cccc2)C 1P00BDVV [0,0,0,1,0,0|3,0,0]=4 209 B14R2.510 NCCc1nn(c2c1cccc2)C 1P01ADIW [0,0,0,1,0,0|3,0,0]=4 210 B14R2.510 OCCc1cn(c2c1cccc2)C 1P00BJ31 [0,0,0,1,0,0|3,0,0]=4 211 B14R2.3348 COc1ccccc1C(=O)C2CC2 1P0076BD [0,0,0,1,0,0|2,0,0]=3 212 B14R2.3348 O=Cc1ccccc1C(=O)C2CC2 1P028QMK [0,0,0,1,0,0|3,0,0]=4 213 B14R2.4510 CN1CCCC(c2c1cccc2)N 1P01FKRU [0,0,0,1,0,0|2,0,1]=4 214 B14R2.4510 O=C1CCCC(c2c1cccc2)Br 1P01EME3 [0,0,0,1,0,0|3,0,0]=4 215 B14R2.4510 O=C1CCCN(c2c1cccc2)C 1P00CKVD [0,0,0,1,0,0|1,0,0]=2 216 B14R2.7150 CCOc1cccc2c1cccc2 1P003BIA [0,0,0,1,0,0|2,0,1]=4 217 B14R2.7150 CCOc1cncc2c1cccc2 1P0282AX [0,0,0,1,0,0|3,0,0]=4 218 B14R2.7150 CCSC1CCNc2c1cccc2 1P01BBQO [0,0,0,1,0,0|1,1,1]=4 219 B14R2.7724 O=C1CC(=O)c2c(N1C)cccc2 1P00EAV5 [0,0,0,1,0,0|2,0,1]=4 220 B14R2.7724 O=c1[nH]c(=O)n(c2c1cccc2)C 1P00EEFT [0,0,0,1,0,0|2,0,1]=4 221 B14R2.7724 O=c1oc(=O)n(c2c1cccc2)C 1P003EXQ [0,0,0,1,0,0|1,0,1]=3 222 B14R2.9718 CCOP1(=O)OCc2c1cccc2 1P028VBB [0,0,0,1,0,0|3,0,0]=4 223 B14R2.9964 CCOC(=O)C1=CC2CCC1C=C2 1P00CO1S [0,0,0,1,0,0|1,0,2]=4 224 B14R2.11635 COc1cccc2c1C(=O)CCC2 1P0010AC [0,0,0,1,0,0|2,0,0]=3 225 B14R2.11635 COc1cccc2c1C(=O)NCC2 1P00GAIF [0,0,0,1,0,0|2,0,0]=3 226 B14R2.11635 N#Cc1cccc2c1C(=O)NCC2 1P01PYQR [0,0,0,1,0,0|3,0,0]=4 227 B14R2.11691 COc1cccc2c1C(=O)OC2=O 1P00AC9I [0,0,0,1,0,0|2,0,1]=4 228 B14R2.24101 O=C1CCCCCc2c1cccc2 1P0054RY [0,0,0,1,0,0|2,0,0]=3 229 B12R1.316 CCOC(=O)c1[nH]ccc1C#N 1P006ADC [0,0,0,0,1,0|3,0,0]=4 230 B12R1.316 CCOC(=O)c1[nH]ccc1C=O 1P00CL45 [0,0,0,0,1,0|3,0,0]=4 231 B12R1.316 CCOC(=O)c1[nH]ccc1CO 1P00G9ZC [0,0,0,0,1,0|3,0,0]=4 232 B12R1.316 CCOC(=O)c1c[nH]cc1C#N 1P01DW55 [0,0,0,0,1,0|3,0,0]=4 233 B12R1.316 CCOC(=O)c1c[nH]nc1CC 1P005VOQ [0,0,0,0,1,0|3,0,0]=4 234 B12R1.316 CCOC(=O)c1c[nH]nc1OC 1P00DMJO [0,0,0,0,1,0|3,0,0]=4 235 B12R1.316 CCOC(=O)c1cc[nH]c1C=O 1P01AKVL [0,0,0,0,1,0|3,0,0]=4 236 B12R1.316 CCOC(=O)c1ccoc1CCl 1P00DIWK [0,0,0,0,1,0|3,0,0]=4 237 B12R1.316 CCOC(=O)c1ccoc1CN 1P028BTX [0,0,0,0,1,0|3,0,0]=4 238 B12R1.316 CCOC(=O)c1ccsc1C=O 1P00FHNP [0,0,0,0,1,0|3,0,0]=4 239 B12R1.316 CCOC(=O)c1cscc1C=O 1P00FHNQ [0,0,0,0,1,0|3,0,0]=4 240 B12R1.316 CCOC(=O)c1nccn1CC 1P01I59N [0,0,0,0,1,0|3,0,0]=4 241 B12R1.316 CCOC(=O)c1ncoc1CC 1P00CM73 [0,0,0,0,1,0|3,0,0]=4 242 B12R1.316 CCOC(=O)c1ncsc1NC 1P01AIQA [0,0,0,0,1,0|2,0,0]=3 243 B12R1.316 CCOC(=O)c1sccc1CCl 1P00248F [0,0,0,0,1,0|3,0,0]=4 244 B12R1.316 CCOC(=O)c1sccc1CN 1P027ZTY [0,0,0,0,1,0|3,0,0]=4 245 B14R1.965 CCOC(=O)Cc1ccccc1C#N 1P005QDJ [0,0,0,0,0,1|2,0,0]=3 246 B14R1.965 CCOC(=O)Cc1ccccc1OC 1P00ETVN [0,0,0,0,0,1|1,0,0]=2 247 B14R1.965 CCOC(=O)Cc1ncccc1C#N 1P004MFJ [0,0,0,0,0,1|3,0,0]=4 248 B14R1.965 CCOC(=O)Nc1ccccc1C#N 1P0072B6 [0,0,0,0,0,1|2,0,0]=3 249 B14R1.965 CNCC(=O)Nc1ccccc1CC 1P019K0U [0,0,0,0,0,1|3,0,0]=4 250 B14R1.965 CNCC(=O)Nc1ccccc1SC 1P019JAO [0,0,0,0,0,1|3,0,0]=4 251 B14R1.965 CNCC(=O)Nc1ccccc1SC 1P019MIT [0,0,0,0,0,1|3,0,0]=4 252 B14R1.965 ClCCC(=O)Nc1ccccc1CC 1P00C8PF [0,0,0,0,0,1|3,0,0]=4 253 B14R1.965 ClCCC(=O)Nc1ccccc1OC 1P00DD5I [0,0,0,0,0,1|3,0,0]=4 254 B14R1.965 ClCCC(=O)Nc1ccccc1SC 1P00EEBY [0,0,0,0,0,1|3,0,0]=4 255 B14R1.965 NCCC(=O)Nc1ccccc1CC 1P00J2BM [0,0,0,0,0,1|3,0,0]=4 256 B14R1.965 NCCC(=O)Nc1ccccc1OC 1P00J2B9 [0,0,0,0,0,1|3,0,0]=4 257 B11R1.41 CCNc1ccccc1OC 1P007JUU [2,0,0,0,0,0|2,0,0]=4 258 B11R1.41 CCOc1ccccc1C#C 1P00GYWX [2,0,0,0,0,0|1,0,1]=4 259 B11R1.41 CCOc1ccccc1C#N 1P003HMY [2,0,0,0,0,0|2,0,0]=4 260 B11R1.41 CCOc1ccccc1C=O 1P00IBAS [2,0,0,0,0,0|2,0,0]=4 261 B11R1.41 CCOc1ccccc1CBr 1P00C45G [2,0,0,0,0,0|2,0,0]=4 262 B11R1.41 CCOc1ccccc1CCl 1P00EJBF [2,0,0,0,0,0|2,0,0]=4 263 B11R1.41 CCOc1ccccc1CN 1P003DAX [2,0,0,0,0,0|2,0,0]=4 264 B11R1.41 CCOc1ccccc1CN 1P01AGYW [2,0,0,0,0,0|2,0,0]=4 265 B11R1.41 CCOc1ccccc1CO 1P003BOG [2,0,0,0,0,0|2,0,0]=4 266 B11R1.41 CCOc1ccccc1NC 1P01A33R [2,0,0,0,0,0|0,0,0]=2 267 B11R1.41 CCOc1ccccc1OC 1P0021UL [2,0,0,0,0,0|1,0,0]=3 268 B11R1.41 CCSc1ccccc1CC 1P01EZGR [2,0,0,0,0,0|1,1,0]=4 269 B11R1.41 OCCc1ccccc1NC 1P028OK7 [2,0,0,0,0,0|1,0,1]=4 270 B11R1.53 BrCc1ccccc1C(=O)O 1P003FGO [2,0,0,0,0,0|2,0,0]=4 271 B11R1.53 C#Cc1ccccc1C(=O)C 1P0095DR [2,0,0,0,0,0|1,0,1]=4 272 B11R1.53 C#Cc1ccccc1C(=O)O 1P00C16W [2,0,0,0,0,0|1,0,1]=4 273 B11R1.53 C=Cc1ccccc1C(=O)C 1P00DTOA [2,0,0,0,0,0|1,0,1]=4 274 B11R1.53 CCc1ccccc1C(=O)C 1P0039TF [2,0,0,0,0,0|1,0,0]=3 275 B11R1.53 CCc1ccccc1C(=O)N 1P006JB8 [2,0,0,0,0,0|2,0,0]=4 276 B11R1.53 CCc1ccccc1C(=O)O 1P0036IN [2,0,0,0,0,0|1,0,0]=3 277 B11R1.53 CCc1ccccc1S(=O)C 1P002U15 [2,0,0,0,0,0|2,0,0]=4 278 B11R1.53 CCc1cccnc1C(=O)C 1P01A4AN [2,0,0,0,0,0|2,0,0]=4 279 B11R1.53 CCc1cccnc1C(=O)O 1P01A48I [2,0,0,0,0,0|2,0,0]=4 280 B11R1.53 CCc1ccncc1C(=O)O 1P00E364 [2,0,0,0,0,0|2,0,0]=4 281 B11R1.53 CCc1cnccc1C(=O)C 1P00CU65 [2,0,0,0,0,0|2,0,0]=4 282 B11R1.53 CCc1cnccc1C(=O)O 1P00CIEU [2,0,0,0,0,0|2,0,0]=4 283 B11R1.53 CCc1cnccc1C(=O)O 1P01A3UL [2,0,0,0,0,0|2,0,0]=4 284 B11R1.53 CCc1ncccc1C(=O)O 1P003KCW [2,0,0,0,0,0|2,0,0]=4 285 B11R1.53 CCc1ncccc1C(=O)O 1P028FW1 [2,0,0,0,0,0|2,0,0]=4 286 B11R1.53 CNc1ccccc1C(=O)C 1P00AM66 [2,0,0,0,0,0|0,0,0]=2 287 B11R1.53 CNc1ccccc1C(=O)N 1P005F2G [2,0,0,0,0,0|1,0,0]=3 288 B11R1.53 CNc1ccccc1C(=O)O 1P000PGJ [2,0,0,0,0,0|0,0,0]=2 289 B11R1.53 CNc1ccccc1C(C)C 1P01BC9V [2,0,0,0,0,0|1,0,1]=4 290 B11R1.53 CNc1ccccc1C(C)C 1P01XC41 [2,0,0,0,0,0|1,0,1]=4 291 B11R1.53 CNc1ccccc1[N+](=O)[O-] 1P00E9IB [2,0,0,0,0,0|1,0,1]=4 292 B11R1.53 CNc1cnccc1C(=O)O 1P001E7S [2,0,0,0,0,0|1,0,0]=3 293 B11R1.53 CNc1cnncc1C(=O)O 1P028GMI [2,0,0,0,0,0|2,0,0]=4 294 B11R1.53 CNc1ncccc1C(=O)N 1P009T1Y [2,0,0,0,0,0|2,0,0]=4 295 B11R1.53 CNc1ncccc1C(=O)O 1P00C64E [2,0,0,0,0,0|1,0,0]=3 296 B11R1.53 COc1ccccc1C(=C)C 1P02495N [2,0,0,0,0,0|2,0,0]=4 297 B11R1.53 COc1ccccc1C(=O)C 1P0032QL [2,0,0,0,0,0|1,0,0]=3 298 B11R1.53 COc1ccccc1C(=O)Cl 1P003TWC [2,0,0,0,0,0|2,0,0]=4 299 B11R1.53 COc1ccccc1C(=O)N 1P003I0E [2,0,0,0,0,0|2,0,0]=4 300 B11R1.53 COc1ccccc1C(=O)O 1P0035VZ [2,0,0,0,0,0|1,0,0]=3 301 B11R1.53 COc1ccccc1S(=O)O 1P00AJN2 [2,0,0,0,0,0|2,0,0]=4 302 B11R1.53 COc1cccnc1C(=O)C 1P00CJ7A [2,0,0,0,0,0|2,0,0]=4 303 B11R1.53 COc1cccnc1C(=O)O 1P001VJY [2,0,0,0,0,0|2,0,0]=4 304 B11R1.53 COc1ccncc1C(=O)C 1P002FW4 [2,0,0,0,0,0|2,0,0]=4 305 B11R1.53 COc1ccncc1C(=O)O 1P0005WN [2,0,0,0,0,0|2,0,0]=4 306 B11R1.53 COc1cnccc1C(=O)C 1P008I9M [2,0,0,0,0,0|2,0,0]=4 307 B11R1.53 COc1cnccc1C(=O)O 1P00347E [2,0,0,0,0,0|2,0,0]=4 308 B11R1.53 COc1ncccc1C(=O)C 1P00100M [2,0,0,0,0,0|2,0,0]=4 309 B11R1.53 COc1ncccc1C(=O)O 1P001VO2 [2,0,0,0,0,0|2,0,0]=4 310 B11R1.53 CSc1ccccc1C(=O)C 1P001JET [2,0,0,0,0,0|1,0,0]=3 311 B11R1.53 CSc1ccccc1C(=O)O 1P003FK5 [2,0,0,0,0,0|1,0,0]=3 312 B11R1.53 CSc1cccnc1C(=O)O 1P01C5LN [2,0,0,0,0,0|2,0,0]=4 313 B11R1.53 CSc1ncccc1C(=O)O 1P003FKD [2,0,0,0,0,0|2,0,0]=4 314 B11R1.53 ClCc1ccccc1C(=O)O 1P008GQF [2,0,0,0,0,0|2,0,0]=4 315 B11R1.53 FCc1ccccc1C(=O)O 1P01BCSG [2,0,0,0,0,0|2,0,0]=4 316 B11R1.53 N#Cc1ccccc1C(=O)C 1P00GS4B [2,0,0,0,0,0|2,0,0]=4 317 B11R1.53 N#Cc1ccccc1C(=O)O 1P0033QN [2,0,0,0,0,0|2,0,0]=4 318 B11R1.53 NCc1ccccc1C(=O)O 1P0001MC [2,0,0,0,0,0|2,0,0]=4 319 B11R1.53 NNc1ccccc1C(=O)N 1P01BDPR [2,0,0,0,0,0|2,0,0]=4 320 B11R1.53 NNc1ccccc1C(=O)O 1P0033SQ [2,0,0,0,0,0|1,0,0]=3 321 B11R1.53 O=Cc1ccccc1C(=O)C 1P003GRZ [2,0,0,0,0,0|2,0,0]=4 322 B11R1.53 O=Cc1ccccc1C(=O)O 1P000PGK [2,0,0,0,0,0|2,0,0]=4 323 B11R1.53 O=[I]c1ccccc1C(=O)O 1P0030GH [2,0,0,0,0,0|2,0,0]=4 324 B11R1.222 BrCC(=O)c1ccccc1Br 1P00DAWM [2,0,0,0,0,0|2,0,0]=4 325 B11R1.222 BrCC(=O)c1ccccc1C 1P00DEAM [2,0,0,0,0,0|1,0,0]=3 326 B11R1.222 BrCC(=O)c1ccccc1Cl 1P003H2D [2,0,0,0,0,0|2,0,0]=4 327 B11R1.222 BrCC(=O)c1ccccc1F 1P003H2Z [2,0,0,0,0,0|2,0,0]=4 328 B11R1.222 BrCC(=O)c1ccccc1O 1P002QB5 [2,0,0,0,0,0|2,0,0]=4 329 B11R1.222 C(=O)(CC)c1c(Br)cccn1 1P01FWJT [2,0,0,0,0,0|2,0,0]=4 330 B11R1.222 CCC(=O)c1ccccc1Br 1P00EK76 [2,0,0,0,0,0|1,0,0]=3 331 B11R1.222 CCC(=O)c1ccccc1C 1P0029P4 [2,0,0,0,0,0|0,0,0]=2 332 B11R1.222 CCC(=O)c1ccccc1Cl 1P00EB73 [2,0,0,0,0,0|1,0,0]=3 333 B11R1.222 CCC(=O)c1ccccc1F 1P003DB2 [2,0,0,0,0,0|1,0,0]=3 334 B11R1.222 CCC(=O)c1ccccc1N 1P000PPD [2,0,0,0,0,0|0,0,0]=2 335 B11R1.222 CCC(=O)c1ccccc1O 1P003BP5 [2,0,0,0,0,0|1,0,0]=3 336 B11R1.222 CCC(=O)c1cnccc1N 1P01A5EL [2,0,0,0,0,0|1,0,0]=3 337 B11R1.222 CCC(=O)c1cnccc1N 1P028XZG [2,0,0,0,0,0|1,0,0]=3 338 B11R1.222 CCC(=O)c1ncccc1C 1P00IHC7 [2,0,0,0,0,0|1,0,0]=3 339 B11R1.222 CCC(c1ccccc1C)N 1P00DLYR [2,0,0,0,0,0|1,0,1]=4 340 B11R1.222 CCC(c1ccccc1N)C 1P00D8X4 [2,0,0,0,0,0|1,0,1]=4 341 B11R1.222 CCN(c1ccccc1N)C 1P00C5P0 [2,0,0,0,0,0|2,0,0]=4 342 B11R1.222 CCN(c1ccccc1N)C 1P0285MY [2,0,0,0,0,0|2,0,0]=4 343 B11R1.222 CCS(=O)c1ccccc1N 1P019SID [2,0,0,0,0,0|1,0,0]=3 344 B11R1.222 CC[C@H](c1ccccc1C)N 1P004QN9 [2,0,0,0,0,0|1,0,1]=4 345 B11R1.222 CNC(=O)c1ccccc1Br 1P00EAJD [2,0,0,0,0,0|2,0,0]=4 346 B11R1.222 CNC(=O)c1ccccc1Cl 1P007ICE [2,0,0,0,0,0|2,0,0]=4 347 B11R1.222 CNC(=O)c1ccccc1F 1P00DJ9S [2,0,0,0,0,0|2,0,0]=4 348 B11R1.222 CNC(=O)c1ccccc1I 1P00IASP [2,0,0,0,0,0|2,0,0]=4 349 B11R1.222 CNC(=O)c1ccccc1N 1P003H0C [2,0,0,0,0,0|1,0,0]=3 350 B11R1.222 CNC(=O)c1ccccc1O 1P00AC9J [2,0,0,0,0,0|2,0,0]=4 351 B11R1.222 CNC(=O)c1ccccc1S 1P002DAW [2,0,0,0,0,0|2,0,0]=4 352 B11R1.222 CNC(=O)c1cccnc1N 1P004VCL [2,0,0,0,0,0|2,0,0]=4 353 B11R1.222 CNC(=O)c1ccncc1N 1P01XD5J [2,0,0,0,0,0|2,0,0]=4 354 B11R1.222 CNC(=O)c1cnccc1N 1P00H57Q [2,0,0,0,0,0|2,0,0]=4 355 B11R1.222 COC(=O)c1c[nH]ccc1=O 1P00FZ4E [2,0,0,0,0,0|2,0,0]=4 356 B11R1.222 COC(=O)c1ccc[nH]c1=O 1P0004LA [2,0,0,0,0,0|2,0,0]=4 357 B11R1.222 COC(=O)c1ccc[nH]c1=S 1P005BW3 [2,0,0,0,0,0|2,0,0]=4 358 B11R1.222 COC(=O)c1ccccc1Br 1P0035MK [2,0,0,0,0,0|1,0,0]=3 359 B11R1.222 COC(=O)c1ccccc1C 1P0036QP [2,0,0,0,0,0|0,0,0]=2 360 B11R1.222 COC(=O)c1ccccc1Cl 1P003S46 [2,0,0,0,0,0|1,0,0]=3 361 B11R1.222 COC(=O)c1ccccc1F 1P00I87W [2,0,0,0,0,0|1,0,0]=3 362 B11R1.222 COC(=O)c1ccccc1I 1P0033TT [2,0,0,0,0,0|1,0,0]=3 363 B11R1.222 COC(=O)c1ccccc1N 1P0035P7 [2,0,0,0,0,0|0,0,0]=2 364 B11R1.222 COC(=O)c1ccccc1O 1P003SJ9 [2,0,0,0,0,0|1,0,0]=3 365 B11R1.222 COC(=O)c1ccccc1S 1P0035PV [2,0,0,0,0,0|1,0,0]=3 366 B11R1.222 COC(=O)c1cccnc1Br 1P00I9W4 [2,0,0,0,0,0|2,0,0]=4 367 B11R1.222 COC(=O)c1cccnc1Cl 1P003S49 [2,0,0,0,0,0|2,0,0]=4 368 B11R1.222 COC(=O)c1cccnc1F 1P00I8WP [2,0,0,0,0,0|2,0,0]=4 369 B11R1.222 COC(=O)c1cccnc1N 1P001EOQ [2,0,0,0,0,0|1,0,0]=3 370 B11R1.222 COC(=O)c1cccnc1O 1P0037A5 [2,0,0,0,0,0|2,0,0]=4 371 B11R1.222 COC(=O)c1cccoc1=O 1P002RRT [2,0,0,0,0,0|2,0,0]=4 372 B11R1.222 COC(=O)c1ccncc1Br 1P00392F [2,0,0,0,0,0|2,0,0]=4 373 B11R1.222 COC(=O)c1ccncc1C 1P000DX7 [2,0,0,0,0,0|1,0,0]=3 374 B11R1.222 COC(=O)c1ccncc1Cl 1P005W3M [2,0,0,0,0,0|2,0,0]=4 375 B11R1.222 COC(=O)c1ccncc1F 1P00H03J [2,0,0,0,0,0|2,0,0]=4 376 B11R1.222 COC(=O)c1ccncc1I 1P002HKX [2,0,0,0,0,0|2,0,0]=4 377 B11R1.222 COC(=O)c1ccncc1N 1P003423 [2,0,0,0,0,0|1,0,0]=3 378 B11R1.222 COC(=O)c1ccncc1O 1P0004LC [2,0,0,0,0,0|2,0,0]=4 379 B11R1.222 COC(=O)c1ccncc1O 1P01BFLN [2,0,0,0,0,0|2,0,0]=4 380 B11R1.222 COC(=O)c1ccnnc1N 1P000OQZ [2,0,0,0,0,0|2,0,0]=4 381 B11R1.222 COC(=O)c1cnccc1Br 1P007YLN [2,0,0,0,0,0|2,0,0]=4 382 B11R1.222 COC(=O)c1cnccc1Br 1P01DDZN [2,0,0,0,0,0|2,0,0]=4 383 B11R1.222 COC(=O)c1cnccc1Cl 1P006ZTR [2,0,0,0,0,0|2,0,0]=4 384 B11R1.222 COC(=O)c1cnccc1F 1P0015DS [2,0,0,0,0,0|2,0,0]=4 385 B11R1.222 COC(=O)c1cnccc1N 1P001SUN [2,0,0,0,0,0|1,0,0]=3 386 B11R1.222 COC(=O)c1cnccc1O 1P00FAQW [2,0,0,0,0,0|2,0,0]=4 387 B11R1.222 COC(=O)c1cnccc1S 1P028YCW [2,0,0,0,0,0|2,0,0]=4 388 B11R1.222 COC(=O)c1cncnc1C 1P00AMKM [2,0,0,0,0,0|2,0,0]=4 389 B11R1.222 COC(=O)c1cncnc1N 1P00670W [2,0,0,0,0,0|2,0,0]=4 390 B11R1.222 COC(=O)c1cnncc1N 1P028U4I [2,0,0,0,0,0|2,0,0]=4 391 B11R1.222 COC(=O)c1ncccc1Br 1P0035NC [2,0,0,0,0,0|2,0,0]=4 392 B11R1.222 COC(=O)c1ncccc1C 1P003S9R [2,0,0,0,0,0|1,0,0]=3 393 B11R1.222 COC(=O)c1ncccc1C 1P00HVC1 [2,0,0,0,0,0|1,0,0]=3 394 B11R1.222 COC(=O)c1ncccc1Cl 1P000CU1 [2,0,0,0,0,0|2,0,0]=4 395 B11R1.222 COC(=O)c1ncccc1F 1P0035NK [2,0,0,0,0,0|2,0,0]=4 396 B11R1.222 COC(=O)c1ncccc1I 1P0038X7 [2,0,0,0,0,0|2,0,0]=4 397 B11R1.222 COC(=O)c1ncccc1N 1P0035NA [2,0,0,0,0,0|1,0,0]=3 398 B11R1.222 COC(=O)c1ncccc1O 1P0037MQ [2,0,0,0,0,0|2,0,0]=4 399 B11R1.222 COC(=O)c1nccnc1N 1P001U23 [2,0,0,0,0,0|2,0,0]=4 400 B11R1.222 COC(=O)c1ncncc1C 1P021LAO [2,0,0,0,0,0|2,0,0]=4 401 B11R1.222 COC(=O)c1ncncc1N 1P01JUGJ [2,0,0,0,0,0|2,0,0]=4 402 B11R1.222 Cc1ccncc1C(=O)CBr 1P028ZS9 [2,0,0,0,0,0|2,0,0]=4 403 B11R1.222 Cc1ccncc1C(=O)OC 1P00BZYE [2,0,0,0,0,0|1,0,0]=3 404 B11R1.222 Cc1ccnnc1C(=O)OC 1P01P5OJ [2,0,0,0,0,0|2,0,0]=4 405 B11R1.222 Cc1cnncc1C(=O)OC 1P00127C [2,0,0,0,0,0|2,0,0]=4 406 B11R1.222 Cc1ncccc1C(=O)CBr 1P00EIIO [2,0,0,0,0,0|2,0,0]=4 407 B11R1.222 Cc1ncccc1C(=O)CBr 1P01ANK5 [2,0,0,0,0,0|2,0,0]=4 408 B11R1.222 Cc1ncccc1C(=O)OC 1P003S5I [2,0,0,0,0,0|1,0,0]=3 409 B11R1.222 Cc1nccnc1C(=O)OC 1P00C7EX [2,0,0,0,0,0|2,0,0]=4 410 B11R1.222 ClCC(=O)c1ccccc1Cl 1P01A092 [2,0,0,0,0,0|2,0,0]=4 411 B11R1.222 ClCC(=O)c1ccccc1F 1P00DE1J [2,0,0,0,0,0|2,0,0]=4 412 B11R1.222 FCC(=O)c1ccccc1Br 1P009XTQ [2,0,0,0,0,0|2,0,0]=4 413 B11R1.222 FCC(=O)c1ccccc1C 1P01DW8K [2,0,0,0,0,0|1,0,0]=3 414 B11R1.222 FCC(=O)c1ccccc1F 1P001CNY [2,0,0,0,0,0|2,0,0]=4 415 B11R1.222 N#CC(=O)c1ccccc1C 1P00EA75 [2,0,0,0,0,0|1,0,1]=4 416 B11R1.222 NCC(=O)c1ccccc1Br 1P01ALG9 [2,0,0,0,0,0|2,0,0]=4 417 B11R1.222 NCC(=O)c1ccccc1C 1P00FC2T [2,0,0,0,0,0|1,0,0]=3 418 B11R1.222 NCC(=O)c1ccccc1Cl 1P00AR76 [2,0,0,0,0,0|2,0,0]=4 419 B11R1.222 NCC(=O)c1ccccc1F 1P00GW1J [2,0,0,0,0,0|2,0,0]=4 420 B11R1.222 NCC(=O)c1ccccc1O 1P01C4S3 [2,0,0,0,0,0|2,0,0]=4 421 B11R1.222 NNC(=O)c1ccccc1C 1P008QFS [2,0,0,0,0,0|2,0,0]=4 422 B11R1.222 NNC(=O)c1ccccc1N 1P002F0J [2,0,0,0,0,0|2,0,0]=4 423 B11R1.222 O=CC(=O)c1ccccc1C 1P00EJ1Q [2,0,0,0,0,0|1,0,1]=4 424 B11R1.222 O=CC(=O)c1ccccc1C 1P01XC2I [2,0,0,0,0,0|1,0,1]=4 425 B11R1.222 OCC(=C)c1ccccc1C 1P027Y44 [2,0,0,0,0,0|2,0,0]=4 426 B11R1.222 OCC(=O)c1ccccc1Br 1P01DFAD [2,0,0,0,0,0|2,0,0]=4 427 B11R1.222 OCC(=O)c1ccccc1Cl 1P003GQ7 [2,0,0,0,0,0|2,0,0]=4 428 B11R1.17 CCCCc1ccccc1N 1P003I8I [2,0,0,0,0,0|1,0,1]=4 429 B11R1.17 CCCNc1ccccc1N 1P00DO1P [2,0,0,0,0,0|2,0,0]=4 430 B11R1.17 CCCOc1ccccc1N 1P003ID7 [2,0,0,0,0,0|2,0,0]=4 431 B11R1.17 CCCOc1ccccc1N 1P0071Y7 [2,0,0,0,0,0|2,0,0]=4 432 B11R1.17 CCCSc1ccccc1N 1P00J4GQ [2,0,0,0,0,0|2,0,0]=4 433 B11R1.17 CCNCc1ccccc1C 1P00EL3S [2,0,0,0,0,0|1,0,1]=4 434 B11R1.17 CCNCc1ccccc1C 1P00J2C5 [2,0,0,0,0,0|1,0,1]=4 435 B11R1.17 CCNCc1ccccc1N 1P01C4DL [2,0,0,0,0,0|1,0,1]=4 436 B11R1.17 CCOCc1ccccc1N 1P019VHZ [2,0,0,0,0,0|0,0,1]=3 437 B11R1.17 CO\N=C\c1ccccc1N 1P00BLHN [2,0,0,0,0,0|2,0,0]=4 438 B11R1.16 C=COC(=O)c1ccccc1 1P003VRK [2,0,0,0,0,0|0,0,2]=4 439 B11R1.16 CC#CC(=O)c1ccccc1 1P00FHQS [2,0,0,0,0,0|1,0,1]=4 440 B11R1.16 CC=CC(=O)c1ccccc1 1P003F2O [2,0,0,0,0,0|1,0,1]=4 441 B11R1.16 CCCC(=O)c1ccccc1 1P003P38 [2,0,0,0,0,0|1,0,0]=3 442 B11R1.16 CCCC(=O)c1ccccn1 1P002M7D [2,0,0,0,0,0|2,0,0]=4 443 B11R1.16 CCCC(=O)c1cccnc1 1P00ARKR [2,0,0,0,0,0|2,0,0]=4 444 B11R1.16 CCCC(=O)c1ccncc1 1P00ARKS [2,0,0,0,0,0|2,0,0]=4 445 B11R1.16 CCNC(=O)c1ccccc1 1P00EFY2 [2,0,0,0,0,0|1,0,0]=3 446 B11R1.16 CCNC(=O)c1cccnc1 1P003TH9 [2,0,0,0,0,0|2,0,0]=4 447 B11R1.16 CCOC(=N)c1ccccc1 1P003QV0 [2,0,0,0,0,0|1,0,0]=3 448 B11R1.16 CCOC(=N)c1ccncc1 1P00C13H [2,0,0,0,0,0|2,0,0]=4 449 B11R1.16 CCOC(=O)C1=CC=CCC1 1P01E8XZ [2,0,0,0,0,0|0,0,2]=4 450 B11R1.16 CCOC(=O)c1ccccc1 1P003QV1 [2,0,0,0,0,0|0,0,0]=2 451 B11R1.16 CCOC(=O)c1ccccn1 1P007OC8 [2,0,0,0,0,0|1,0,0]=3 452 B11R1.16 CCOC(=O)c1cccnc1 1P003QWQ [2,0,0,0,0,0|1,0,0]=3 453 B11R1.16 CCOC(=O)c1cccnn1 1P0082MH [2,0,0,0,0,0|2,0,0]=4 454 B11R1.16 CCOC(=O)c1ccncc1 1P0035D0 [2,0,0,0,0,0|1,0,0]=3 455 B11R1.16 CCOC(=O)c1ccncn1 1P00EAYJ [2,0,0,0,0,0|2,0,0]=4 456 B11R1.16 CCOC(=O)c1ccnnc1 1P003QXJ [2,0,0,0,0,0|2,0,0]=4 457 B11R1.16 CCOC(=O)c1cnccn1 1P006AWS [2,0,0,0,0,0|2,0,0]=4 458 B11R1.16 CCOC(=O)c1cncnc1 1P003QTM [2,0,0,0,0,0|2,0,0]=4 459 B11R1.16 CCOC(=O)c1ncccn1 1P003QM1 [2,0,0,0,0,0|2,0,0]=4 460 B11R1.16 CCOP(=O)c1ccccc1 1P002QZM [2,0,0,0,0,0|1,0,0]=3 461 B11R1.16 CNNC(=O)c1ccccc1 1P00AVBP [2,0,0,0,0,0|2,0,0]=4 462 B11R1.16 COCC(=O)c1ccccc1 1P003I0C [2,0,0,0,0,0|2,0,0]=4 463 B11R1.16 CONC(=O)c1ccccc1 1P007NK5 [2,0,0,0,0,0|2,0,0]=4 464 B11R1.16 CSCC(=O)c1ccccc1 1P01A91B [2,0,0,0,0,0|2,0,0]=4 465 B11R1.16 C\C=C\C(=O)c1ccccc1 1P003VC7 [2,0,0,0,0,0|1,0,1]=4 466 B11R1.16 ClCCC(=O)c1ccccc1 1P003JS2 [2,0,0,0,0,0|2,0,0]=4 467 B11R1.16 ClCOC(=O)c1ccccc1 1P00DA2O [2,0,0,0,0,0|1,0,0]=3 468 B11R1.16 ICOC(=O)c1ccccc1 1P001BHI [2,0,0,0,0,0|1,0,0]=3 469 B11R1.16 NCCC(=O)c1ccccc1 1P01KXES [2,0,0,0,0,0|2,0,0]=4 470 B11R1.16 O=C(c1ccccc1)O[NH2+]C 1P003TWD [2,0,0,0,0,0|1,0,0]=3 471 B11R1.16 OCCC(=O)c1ccccc1 1P0036LN [2,0,0,0,0,0|2,0,0]=4 472 B11R1.16 OCNC(=O)c1ccccc1 1P003SV5 [2,0,0,0,0,0|2,0,0]=4 473 B13R1.89 COc1ccccc1C(=O)N(C)C 1P00604X [1,1,0,0,0,0|2,0,0]=4 474 B13R1.89 O=Cc1ccccc1C(=O)C(C)C 1P0288KV [1,1,0,0,0,0|2,0,0]=4 475 B13R1.107 COC(=O)c1cccc(c1C#N)Br 1P000SEF [1,1,0,0,0,0|2,0,0]=4 476 B13R1.107 COC(=O)c1cccc(c1C#N)C 1P00DLST [1,1,0,0,0,0|2,0,0]=4 477 B13R1.107 COC(=O)c1cccc(c1C#N)F 1P000S8G [1,1,0,0,0,0|2,0,0]=4 478 B13R1.107 COC(=O)c1cccc(c1C=O)F 1P01BO3F [1,1,0,0,0,0|2,0,0]=4 479 B13R1.107 COC(=O)c1cccc(c1C=O)O 1P000ZSG [1,1,0,0,0,0|2,0,0]=4 480 B13R1.107 COC(=O)c1cccc(c1CBr)Br 1P00C6NM [1,1,0,0,0,0|2,0,0]=4 481 B13R1.107 COC(=O)c1cccc(c1CBr)Cl 1P002H76 [1,1,0,0,0,0|2,0,0]=4 482 B13R1.107 COC(=O)c1cccc(c1CBr)F 1P009KD0 [1,1,0,0,0,0|2,0,0]=4 483 B13R1.107 COC(=O)c1cccc(c1CC)C 1P028SBJ [1,1,0,0,0,0|1,0,0]=3 484 B13R1.107 COC(=O)c1cccc(c1CC)O 1P0024UM [1,1,0,0,0,0|1,0,0]=3 485 B13R1.107 COC(=O)c1cccc(c1NC)N 1P01C9FP [1,1,0,0,0,0|0,0,0]=2 486 B13R1.107 COC(=O)c1cccc(c1OC)Br 1P002S24 [1,1,0,0,0,0|1,0,0]=3 487 B13R1.107 COC(=O)c1cccc(c1OC)Cl 1P00IHVX [1,1,0,0,0,0|1,0,0]=3 488 B13R1.107 COC(=O)c1cccc(c1OC)N 1P0092XI [1,1,0,0,0,0|1,0,0]=3 489 B13R1.107 COC(=O)c1cccc(c1OC)N 1P00DK8S [1,1,0,0,0,0|1,0,0]=3 490 B13R1.107 COC(=O)c1cccc(c1OC)O 1P0039CJ [1,1,0,0,0,0|1,0,0]=3 491 B13R1.107 COC(=O)c1ccnc(c1OC)C 1P024VOR [1,1,0,0,0,0|2,0,0]=4 492 B13R1.107 COC(=O)c1ccnc(c1OC)Cl 1P009I4H [1,1,0,0,0,0|2,0,0]=4 493 B13R1.107 COC(=O)c1ccnc(c1OC)O 1P01JRRP [1,1,0,0,0,0|2,0,0]=4 494 B13R1.382 BrCCc1ccccc1C(=O)OC 1P002QYE [1,1,0,0,0,0|1,0,0]=3 495 B13R1.382 C=COc1ccccc1C(=O)OC 1P01BGN5 [1,1,0,0,0,0|1,0,1]=4 496 B13R1.382 CCNc1ccccc1C(=O)OC 1P01AJCA [1,1,0,0,0,0|0,0,0]=2 497 B13R1.382 CCOc1ccccc1C(=O)CBr 1P00AQLF [1,1,0,0,0,0|2,0,0]=4 498 B13R1.382 CCOc1ccccc1C(=O)CN 1P028A2W [1,1,0,0,0,0|2,0,0]=4 499 B13R1.382 CCOc1ccccc1C(=O)NC 1P01EM6U [1,1,0,0,0,0|2,0,0]=4 500 B13R1.382 CCOc1ccccc1C(=O)OC 1P003S4F [1,1,0,0,0,0|1,0,0]=3 501 B13R1.382 CNCc1ccccc1C(=O)OC 1P01AJF6 [1,1,0,0,0,0|0,0,0]=2 502 B13R1.382 ClCCc1ccccc1C(=O)OC 1P01ADLB [1,1,0,0,0,0|1,0,0]=3 503 B13R1.382 N#CCc1ccccc1C(=O)OC 1P003HL3 [1,1,0,0,0,0|1,0,1]=4 504 B13R1.382 NCCc1ccccc1C(=O)OC 1P00970D [1,1,0,0,0,0|1,0,0]=3 505 B13R1.382 O=C=Nc1ccccc1C(=O)OC 1P0027DY [1,1,0,0,0,0|0,0,2]=4 506 B13R1.382 O=CNc1ccccc1C(=O)OC 1P003SI0 [1,1,0,0,0,0|0,0,1]=3 507 B13R1.382 S=C=Nc1ccccc1C(=O)OC 1P001S9E [1,1,0,0,0,0|0,0,2]=4 508 B13R1.382 [N-]=[N+]=Nc1ccccc1C(=O)OC 1P001XMY [1,1,0,0,0,0|1,0,1]=4 509 B13R1.547 CCC(=O)c1ccccc1C(=O)O 1P002OBQ [1,1,0,0,0,0|2,0,0]=4 510 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1P001ZWM [1,1,0,0,0,0|1,0,1]=4 511 B13R1.547 COC(=O)c1ccccc1B(O)O 1P003I0M [1,1,0,0,0,0|2,0,0]=4 512 B13R1.547 COC(=O)c1ccccc1C(=O)C 1P0097A7 [1,1,0,0,0,0|1,0,0]=3 513 B13R1.547 COC(=O)c1ccccc1C(=O)Cl 1P00DD8D [1,1,0,0,0,0|2,0,0]=4 514 B13R1.547 COC(=O)c1ccccc1C(=O)N 1P00IGNZ [1,1,0,0,0,0|2,0,0]=4 515 B13R1.547 COC(=O)c1ccccc1C(=O)O 1P003SMF [1,1,0,0,0,0|2,0,0]=4 516 B13R1.547 COC(=O)c1ccccc1C(C)C 1P00IC1H [1,1,0,0,0,0|1,0,0]=3 517 B13R1.547 COC(=O)c1ccccc1N(C)C 1P00036J [1,1,0,0,0,0|0,0,0]=2 518 B13R1.547 COC(=O)c1ccccc1[C@H](N)C 1P01DTYR [1,1,0,0,0,0|1,0,0]=3 519 B13R1.547 COC(=O)c1ccccc1[N+](=O)[O-] 1P003S5L [1,1,0,0,0,0|1,0,1]=4 520 B13R1.547 COC(=O)c1cccnc1C(=O)C 1P01BVZJ [1,1,0,0,0,0|2,0,0]=4 521 B13R1.2065 BrCC(=O)c1ccc(cc1OC)C 1P001E1B [1,1,0,0,0,0|2,0,0]=4 522 B13R1.2065 BrCC(=O)c1ccc(cc1OC)Cl 1P00EK9X [1,1,0,0,0,0|2,0,0]=4 523 B13R1.2065 CCC(=O)c1ccc(cc1OC)Cl 1P01DMYL [1,1,0,0,0,0|1,0,0]=3 524 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 1P01DTOF [1,1,0,0,0,0|2,0,0]=4 525 B13R1.2065 COC(=O)c1ccc(cc1C#C)Br 1P028X0B [1,1,0,0,0,0|1,0,1]=4 526 B13R1.2065 COC(=O)c1ccc(cc1C#C)C 1P028HV3 [1,1,0,0,0,0|1,0,1]=4 527 B13R1.2065 COC(=O)c1ccc(cc1C#C)Cl 1P028X1O [1,1,0,0,0,0|1,0,1]=4 528 B13R1.2065 COC(=O)c1ccc(cc1C#C)F 1P027U2Y [1,1,0,0,0,0|1,0,1]=4 529 B13R1.2065 COC(=O)c1ccc(cc1C#N)Br 1P0017KZ [1,1,0,0,0,0|2,0,0]=4 530 B13R1.2065 COC(=O)c1ccc(cc1C#N)C 1P009Z48 [1,1,0,0,0,0|2,0,0]=4 531 B13R1.2065 COC(=O)c1ccc(cc1C#N)Cl 1P00E9OH [1,1,0,0,0,0|2,0,0]=4 532 B13R1.2065 COC(=O)c1ccc(cc1C#N)F 1P000XL5 [1,1,0,0,0,0|2,0,0]=4 533 B13R1.2065 COC(=O)c1ccc(cc1C#N)N 1P001TXH [1,1,0,0,0,0|2,0,0]=4 534 B13R1.2065 COC(=O)c1ccc(cc1C#N)O 1P000SJV [1,1,0,0,0,0|2,0,0]=4 535 B13R1.2065 COC(=O)c1ccc(cc1C=O)Br 1P01AGFR [1,1,0,0,0,0|2,0,0]=4 536 B13R1.2065 COC(=O)c1ccc(cc1C=O)Cl 1P01A54M [1,1,0,0,0,0|2,0,0]=4 537 B13R1.2065 COC(=O)c1ccc(cc1C=O)F 1P01BUE3 [1,1,0,0,0,0|2,0,0]=4 538 B13R1.2065 COC(=O)c1ccc(cc1C=O)O 1P01C2BS [1,1,0,0,0,0|2,0,0]=4 539 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br 1P008N2J [1,1,0,0,0,0|2,0,0]=4 540 B13R1.2065 COC(=O)c1ccc(cc1CBr)C 1P00IBGR [1,1,0,0,0,0|2,0,0]=4 541 B13R1.2065 COC(=O)c1ccc(cc1CBr)Cl 1P001DYG [1,1,0,0,0,0|2,0,0]=4 542 B13R1.2065 COC(=O)c1ccc(cc1CBr)F 1P001Q2M [1,1,0,0,0,0|2,0,0]=4 543 B13R1.2065 COC(=O)c1ccc(cc1CC)N 1P01FM0H [1,1,0,0,0,0|1,0,0]=3 544 B13R1.2065 COC(=O)c1ccc(cc1CN)F 1P027UC0 [1,1,0,0,0,0|2,0,0]=4 545 B13R1.2065 COC(=O)c1ccc(cc1NC)Br 1P0220QE [1,1,0,0,0,0|0,0,0]=2 546 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 1P001AQ6 [1,1,0,0,0,0|1,0,0]=3 547 B13R1.2065 COC(=O)c1ccc(cc1OC)C 1P0055C0 [1,1,0,0,0,0|1,0,0]=3 548 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 1P008NTS [1,1,0,0,0,0|1,0,0]=3 549 B13R1.2065 COC(=O)c1ccc(cc1OC)F 1P002A4R [1,1,0,0,0,0|1,0,0]=3 550 B13R1.2065 COC(=O)c1ccc(cc1OC)I 1P001LF3 [1,1,0,0,0,0|1,0,0]=3 551 B13R1.2065 COC(=O)c1ccc(cc1OC)N 1P002UEB [1,1,0,0,0,0|1,0,0]=3 552 B13R1.2065 COC(=O)c1ccc(cc1OC)O 1P002VX9 [1,1,0,0,0,0|1,0,0]=3 553 B13R1.2065 COC(=O)c1ccc(cc1SC)Br 1P01DIID [1,1,0,0,0,0|1,0,0]=3 554 B13R1.2065 COC(=O)c1ccc(nc1OC)Br 1P0003TD [1,1,0,0,0,0|2,0,0]=4 555 B13R1.2065 COC(=O)c1ccc(nc1OC)C 1P00A17T [1,1,0,0,0,0|2,0,0]=4 556 B13R1.2065 COC(=O)c1ccc(nc1OC)Cl 1P006QDZ [1,1,0,0,0,0|2,0,0]=4 557 B13R1.2065 COC(=O)c1ccc(nc1OC)N 1P001M9C [1,1,0,0,0,0|2,0,0]=4 558 B13R1.2065 COC(=O)c1cnc(cc1NC)F 1P01JL4M [1,1,0,0,0,0|1,0,0]=3 559 B13R1.2065 COC(=O)c1cnc(cc1OC)C 1P01EI9M [1,1,0,0,0,0|2,0,0]=4 560 B13R1.2065 COC(=O)c1cnc(cc1OC)Cl 1P00G7H0 [1,1,0,0,0,0|2,0,0]=4 561 B13R1.2065 COC(=O)c1cnc(cc1OC)N 1P0292RE [1,1,0,0,0,0|2,0,0]=4 562 B13R1.2065 COC(=O)c1ncc(cc1NC)Br 1P021WJO [1,1,0,0,0,0|1,0,0]=3 563 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 1P000BBA [1,1,0,0,0,0|2,0,0]=4 564 B13R1.2065 NCC(=O)c1ccc(cc1OC)C 1P028D4N [1,1,0,0,0,0|2,0,0]=4 565 B13R1.2129 CNc1ccccc1S(=O)(=O)CC 1P019TQZ [1,1,0,0,0,0|1,0,0]=3 566 B13R1.2209 BrCC(=O)c1cc(C)ccc1OC 1P00FBHT [1,1,0,0,0,0|2,0,0]=4 567 B13R1.2209 CCC(=O)c1cc(C)ccc1OC 1P01A4US [1,1,0,0,0,0|1,0,0]=3 568 B13R1.2209 CCC(=O)c1cc(Cl)ccc1OC 1P005PPR [1,1,0,0,0,0|1,0,0]=3 569 B13R1.2209 CCC(=O)c1cc(F)ccc1OC 1P01EX9G [1,1,0,0,0,0|1,0,0]=3 570 B13R1.2209 COC(=O)c1cc(Br)ccc1C#N 1P0068PZ [1,1,0,0,0,0|2,0,0]=4 571 B13R1.2209 COC(=O)c1cc(Br)ccc1C=O 1P0005FS [1,1,0,0,0,0|2,0,0]=4 572 B13R1.2209 COC(=O)c1cc(Br)ccc1CBr 1P0036X0 [1,1,0,0,0,0|2,0,0]=4 573 B13R1.2209 COC(=O)c1cc(Br)ccc1CC 1P00DQ9K [1,1,0,0,0,0|1,0,0]=3 574 B13R1.2209 COC(=O)c1cc(Br)ccc1CN 1P001UWE [1,1,0,0,0,0|2,0,0]=4 575 B13R1.2209 COC(=O)c1cc(Br)ccc1NC 1P00C6JC [1,1,0,0,0,0|0,0,0]=2 576 B13R1.2209 COC(=O)c1cc(Br)ccc1OC 1P00371Z [1,1,0,0,0,0|1,0,0]=3 577 B13R1.2209 COC(=O)c1cc(Br)ccc1SC 1P006KTJ [1,1,0,0,0,0|1,0,0]=3 578 B13R1.2209 COC(=O)c1cc(Br)cnc1OC 1P0017OL [1,1,0,0,0,0|2,0,0]=4 579 B13R1.2209 COC(=O)c1cc(C)ccc1C#C 1P028QNN [1,1,0,0,0,0|1,0,1]=4 580 B13R1.2209 COC(=O)c1cc(C)ccc1C#N 1P009Z8P [1,1,0,0,0,0|2,0,0]=4 581 B13R1.2209 COC(=O)c1cc(C)ccc1CC 1P028YSP [1,1,0,0,0,0|1,0,0]=3 582 B13R1.2209 COC(=O)c1cc(C)ccc1NC 1P00DLHF [1,1,0,0,0,0|0,0,0]=2 583 B13R1.2209 COC(=O)c1cc(C)ccc1OC 1P003S51 [1,1,0,0,0,0|1,0,0]=3 584 B13R1.2209 COC(=O)c1cc(Cl)ccc1C#C 1P01R294 [1,1,0,0,0,0|1,0,1]=4 585 B13R1.2209 COC(=O)c1cc(Cl)ccc1C#N 1P0073CC [1,1,0,0,0,0|2,0,0]=4 586 B13R1.2209 COC(=O)c1cc(Cl)ccc1C=O 1P008UZP [1,1,0,0,0,0|2,0,0]=4 587 B13R1.2209 COC(=O)c1cc(Cl)ccc1CBr 1P00FEFY [1,1,0,0,0,0|2,0,0]=4 588 B13R1.2209 COC(=O)c1cc(Cl)ccc1NC 1P00DMJP [1,1,0,0,0,0|0,0,0]=2 589 B13R1.2209 COC(=O)c1cc(Cl)ccc1NN 1P000S3R [1,1,0,0,0,0|1,0,0]=3 590 B13R1.2209 COC(=O)c1cc(Cl)ccc1OC 1P003SE9 [1,1,0,0,0,0|1,0,0]=3 591 B13R1.2209 COC(=O)c1cc(Cl)cnc1OC 1P00G5M1 [1,1,0,0,0,0|2,0,0]=4 592 B13R1.2209 COC(=O)c1cc(F)ccc1C#N 1P00ELTY [1,1,0,0,0,0|2,0,0]=4 593 B13R1.2209 COC(=O)c1cc(F)ccc1C=O 1P00930P [1,1,0,0,0,0|2,0,0]=4 594 B13R1.2209 COC(=O)c1cc(F)ccc1CBr 1P001A0R [1,1,0,0,0,0|2,0,0]=4 595 B13R1.2209 COC(=O)c1cc(F)ccc1NC 1P00IHM7 [1,1,0,0,0,0|0,0,0]=2 596 B13R1.2209 COC(=O)c1cc(F)ccc1OC 1P00ACCK [1,1,0,0,0,0|1,0,0]=3 597 B13R1.2209 COC(=O)c1cc(F)cnc1OC 1P0017OI [1,1,0,0,0,0|2,0,0]=4 598 B13R1.2209 COC(=O)c1cc(I)ccc1C#N 1P01QSWV [1,1,0,0,0,0|2,0,0]=4 599 B13R1.2209 COC(=O)c1cc(I)ccc1CBr 1P01KKFH [1,1,0,0,0,0|2,0,0]=4 600 B13R1.2209 COC(=O)c1cc(I)ccc1OC 1P00CI6Q [1,1,0,0,0,0|1,0,0]=3 601 B13R1.2209 COC(=O)c1cc(N)ccc1C#N 1P00IIYU [1,1,0,0,0,0|2,0,0]=4 602 B13R1.2209 COC(=O)c1cc(N)ccc1OC 1P006WXK [1,1,0,0,0,0|1,0,0]=3 603 B13R1.2209 COC(=O)c1cc(N)ccc1SC 1P00AVOC [1,1,0,0,0,0|1,0,0]=3 604 B13R1.2209 COC(=O)c1cc(N)cnc1OC 1P0017OJ [1,1,0,0,0,0|2,0,0]=4 605 B13R1.2209 COC(=O)c1cc(N)cnc1OC 1P0287IO [1,1,0,0,0,0|2,0,0]=4 606 B13R1.2209 COC(=O)c1cc(O)ccc1C=O 1P01DWDY [1,1,0,0,0,0|2,0,0]=4 607 B13R1.2209 COC(=O)c1cc(O)cnc1OC 1P01DLD8 [1,1,0,0,0,0|2,0,0]=4 608 B13R1.2209 COC(=O)c1nc(Br)ccc1OC 1P00H691 [1,1,0,0,0,0|2,0,0]=4 609 B13R1.2209 COC(=O)c1nc(Br)cnc1NC 1P00HTT2 [1,1,0,0,0,0|2,0,0]=4 610 B13R1.2209 COC(=O)c1nc(C)ccc1NC 1P01KKIO [1,1,0,0,0,0|1,0,0]=3 611 B13R1.2209 COC(=O)c1nc(Cl)ccc1OC 1P01DJJX [1,1,0,0,0,0|2,0,0]=4 612 B13R1.2209 COc1ccc(cc1C(=O)CBr)Cl 1P00793Q [1,1,0,0,0,0|2,0,0]=4 613 B13R1.2209 COc1ccc(cc1C(=O)CBr)F 1P00399K [1,1,0,0,0,0|2,0,0]=4 614 B13R1.2209 COc1ccc(cc1C(=O)CCl)F 1P019KG7 [1,1,0,0,0,0|2,0,0]=4 615 B13R1.2209 COc1ccc(cc1C(=O)CN)F 1P028DKM [1,1,0,0,0,0|2,0,0]=4 616 B13R1.2357 BrCC(=O)c1c(Cl)cccc1OC 1P009I44 [1,1,0,0,0,0|2,0,0]=4 617 B13R1.2357 COC(=O)c1c(Br)cccc1C#N 1P000SIB [1,1,0,0,0,0|2,0,0]=4 618 B13R1.2357 COC(=O)c1c(Br)cccc1CBr 1P00G497 [1,1,0,0,0,0|2,0,0]=4 619 B13R1.2357 COC(=O)c1c(Br)cccc1OC 1P00C1G5 [1,1,0,0,0,0|1,0,0]=3 620 B13R1.2357 COC(=O)c1c(C)cccc1C#N 1P000XME [1,1,0,0,0,0|2,0,0]=4 621 B13R1.2357 COC(=O)c1c(C)cccc1NC 1P027UED [1,1,0,0,0,0|0,0,0]=2 622 B13R1.2357 COC(=O)c1c(C)cccc1OC 1P0059BZ [1,1,0,0,0,0|1,0,0]=3 623 B13R1.2357 COC(=O)c1c(Cl)cccc1C#C 1P0280NL [1,1,0,0,0,0|1,0,1]=4 624 B13R1.2357 COC(=O)c1c(Cl)cccc1C#N 1P01KKO1 [1,1,0,0,0,0|2,0,0]=4 625 B13R1.2357 COC(=O)c1c(Cl)cccc1CBr 1P006XF1 [1,1,0,0,0,0|2,0,0]=4 626 B13R1.2357 COC(=O)c1c(Cl)cccc1NC 1P009WNA [1,1,0,0,0,0|0,0,0]=2 627 B13R1.2357 COC(=O)c1c(Cl)cccc1OC 1P00H1IT [1,1,0,0,0,0|1,0,0]=3 628 B13R1.2357 COC(=O)c1c(Cl)ccnc1OC 1P000OXC [1,1,0,0,0,0|2,0,0]=4 629 B13R1.2357 COC(=O)c1c(F)cccc1C#C 1P028GWD [1,1,0,0,0,0|1,0,1]=4 630 B13R1.2357 COC(=O)c1c(F)cccc1C#N 1P00EGCB [1,1,0,0,0,0|2,0,0]=4 631 B13R1.2357 COC(=O)c1c(F)cccc1C=O 1P01KLPV [1,1,0,0,0,0|2,0,0]=4 632 B13R1.2357 COC(=O)c1c(F)cccc1CBr 1P00AO2L [1,1,0,0,0,0|2,0,0]=4 633 B13R1.2357 COC(=O)c1c(F)cccc1NN 1P01B99K [1,1,0,0,0,0|1,0,0]=3 634 B13R1.2357 COC(=O)c1c(F)cccc1OC 1P0026R1 [1,1,0,0,0,0|1,0,0]=3 635 B13R1.2357 COC(=O)c1c(I)cccc1CBr 1P004TZK [1,1,0,0,0,0|2,0,0]=4 636 B13R1.2357 COC(=O)c1c(N)cccc1C#N 1P000FJ8 [1,1,0,0,0,0|2,0,0]=4 637 B13R1.2357 COC(=O)c1c(N)cccc1OC 1P003859 [1,1,0,0,0,0|1,0,0]=3 638 B13R1.2357 COC(=O)c1c(N)cccc1OC 1P01FSKE [1,1,0,0,0,0|1,0,0]=3 639 B13R1.2357 COC(=O)c1c(N)cncc1OC 1P005CPX [1,1,0,0,0,0|2,0,0]=4 640 B13R1.2357 COC(=O)c1c(O)cccc1C=O 1P028WZJ [1,1,0,0,0,0|2,0,0]=4 641 B13R1.2357 COC(=O)c1c(O)cccc1OC 1P007PVZ [1,1,0,0,0,0|1,0,0]=3 642 B13R1.2357 COC(=O)c1c(O)ccnc1OC 1P000IIA [1,1,0,0,0,0|2,0,0]=4 643 B13R1.2357 COC(=O)c1c(OC)cc[nH]c1=O 1P021UIW [1,1,0,0,0,0|2,0,0]=4 644 B13R1.2357 COC(=O)c1c(OC)ccnc1Cl 1P00C002 [1,1,0,0,0,0|2,0,0]=4 645 B13R1.84 NCCOCc1ccccc1OC 1P01A341 [1,1,0,0,0,0|1,0,1]=4 646 B13R1.12 CCNC(=O)c1cccc(c1O)C 1P019X1V [1,1,0,0,0,0|2,0,0]=4 647 B13R1.12 CCOC(=O)c1c[nH]cc(c1=O)C 1P00JSBE [1,1,0,0,0,0|2,0,0]=4 648 B13R1.12 CCOC(=O)c1cc[nH]c(=O)c1O 1P00I9E8 [1,1,0,0,0,0|2,0,0]=4 649 B13R1.12 CCOC(=O)c1cccc(c1Br)Cl 1P01FFHB [1,1,0,0,0,0|1,0,0]=3 650 B13R1.12 CCOC(=O)c1cccc(c1Br)F 1P01AMAL [1,1,0,0,0,0|1,0,0]=3 651 B13R1.12 CCOC(=O)c1cccc(c1Cl)Br 1P01A6TE [1,1,0,0,0,0|1,0,0]=3 652 B13R1.12 CCOC(=O)c1cccc(c1F)Br 1P00CMEO [1,1,0,0,0,0|1,0,0]=3 653 B13R1.12 CCOC(=O)c1cccc(c1F)Cl 1P005CGA [1,1,0,0,0,0|1,0,0]=3 654 B13R1.12 CCOC(=O)c1cccc(c1F)F 1P0054OG [1,1,0,0,0,0|1,0,0]=3 655 B13R1.12 CCOC(=O)c1cccc(c1F)S 1P01JWSS [1,1,0,0,0,0|1,0,0]=3 656 B13R1.12 CCOC(=O)c1cccc(c1N)Br 1P00ORGK [1,1,0,0,0,0|0,0,0]=2 657 B13R1.12 CCOC(=O)c1cccc(c1N)N 1P00CN70 [1,1,0,0,0,0|0,0,0]=2 658 B13R1.12 CCOC(=O)c1cccc(c1O)C 1P00E90X [1,1,0,0,0,0|1,0,0]=3 659 B13R1.12 CCOC(=O)c1cccc(c1O)O 1P00BZ81 [1,1,0,0,0,0|1,0,0]=3 660 B13R1.12 CCOC(=O)c1ccnc(c1Cl)Cl 1P008YB0 [1,1,0,0,0,0|2,0,0]=4 661 B13R1.12 CCOC(=O)c1ccnc(c1Cl)N 1P01B5YH [1,1,0,0,0,0|2,0,0]=4 662 B13R1.12 CCOC(=O)c1ccnc(c1Cl)O 1P01DYZA [1,1,0,0,0,0|2,0,0]=4 663 B13R1.12 CCOC(=O)c1ccnc(c1N)Br 1P0297EK [1,1,0,0,0,0|1,0,0]=3 664 B13R1.12 CCOC(=O)c1cncc(c1N)Br 1P000LXV [1,1,0,0,0,0|1,0,0]=3 665 B13R1.12 CCOC(=O)c1cncc(c1N)N 1P00HFUC [1,1,0,0,0,0|1,0,0]=3 666 B13R1.12 CCOC(=O)c1nccc(c1F)Cl 1P000RPB [1,1,0,0,0,0|2,0,0]=4 667 B13R1.12 CCOC(=O)c1nccc(c1N)F 1P01JWO3 [1,1,0,0,0,0|1,0,0]=3 668 B13R1.12 Cc1c(cccc1Br)C(=O)OCC 1P009KUH [1,1,0,0,0,0|0,0,0]=2 669 B13R1.12 Cc1c(cccc1F)C(=O)OCC 1P000BIP [1,1,0,0,0,0|0,0,0]=2 670 B13R1.12 Cc1c(cccc1N)C(=O)NCC 1P006GI8 [1,1,0,0,0,0|1,0,0]=3 671 B13R1.12 Cc1c(cccc1N)C(=O)OCC 1P003QNO [1,1,0,0,0,0|0,0,0]=2 672 B13R1.12 Cc1c(cccc1O)C(=O)OCC 1P01DU13 [1,1,0,0,0,0|0,0,0]=2 673 B13R1.12 Cc1c(ccnc1Cl)C(=O)OCC 1P007JRM [1,1,0,0,0,0|1,0,0]=3 674 B13R1.12 Cc1c(cncc1Br)C(=O)OCC 1P01B8OX [1,1,0,0,0,0|1,0,0]=3 675 B13R1.12 Cc1c(ncnc1Cl)C(=O)OCC 1P000KMG [1,1,0,0,0,0|2,0,0]=4 676 B13R1.12 NCCC(=O)c1cccc(c1N)O 1P01FI9N [1,1,0,0,0,0|2,0,0]=4 677 B13R1.12 [O-][n+]1cccc(c1C)C(=O)OCC 1P00BHV2 [1,1,0,0,0,0|1,0,0]=3 678 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1P00EG6G [1,1,0,0,0,0|1,0,1]=4 679 B13R1.201 CC(CC(=O)c1ccccc1C)C 1P01AHRT [1,1,0,0,0,0|1,0,0]=3 680 B13R1.201 CC(NC(=O)c1ccccc1Br)C 1P00EC3H [1,1,0,0,0,0|2,0,0]=4 681 B13R1.201 CC(NC(=O)c1ccccc1N)C 1P0030G7 [1,1,0,0,0,0|1,0,0]=3 682 B13R1.201 CC(NC(=O)c1cccnc1N)C 1P01K191 [1,1,0,0,0,0|2,0,0]=4 683 B13R1.201 CC(NC(=O)c1ccncc1N)C 1P01XC80 [1,1,0,0,0,0|2,0,0]=4 684 B13R1.201 CC(OC(=O)c1ccccc1Br)C 1P00EBHF [1,1,0,0,0,0|1,0,0]=3 685 B13R1.201 CC(OC(=O)c1ccccc1O)C 1P003RLV [1,1,0,0,0,0|1,0,0]=3 686 B13R1.201 CC(OC(=O)c1cccnc1Cl)C 1P01A72A [1,1,0,0,0,0|2,0,0]=4 687 B13R1.446 CCCC(=O)c1cc(N)ccc1F 1P01DZMR [1,1,0,0,0,0|2,0,0]=4 688 B13R1.446 CCNC(=O)c1cc(Br)ccc1F 1P00HA0I [1,1,0,0,0,0|2,0,0]=4 689 B13R1.446 CCNC(=O)c1cc(Cl)ccc1N 1P01AHDC [1,1,0,0,0,0|1,0,0]=3 690 B13R1.446 CCNC(=O)c1cc(N)ccc1Cl 1P00J28Q [1,1,0,0,0,0|2,0,0]=4 691 B13R1.446 CCOC(=O)c1cc(Br)c[nH]c1=O 1P01X65B [1,1,0,0,0,0|2,0,0]=4 692 B13R1.446 CCOC(=O)c1cc(Br)ccc1Cl 1P005SVJ [1,1,0,0,0,0|1,0,0]=3 693 B13R1.446 CCOC(=O)c1cc(Br)ccc1F 1P00EU8V [1,1,0,0,0,0|1,0,0]=3 694 B13R1.446 CCOC(=O)c1cc(Br)ccc1I 1P00DM2G [1,1,0,0,0,0|1,0,0]=3 695 B13R1.446 CCOC(=O)c1cc(Br)ccc1N 1P00EDQ3 [1,1,0,0,0,0|0,0,0]=2 696 B13R1.446 CCOC(=O)c1cc(Br)ccc1O 1P00C7YQ [1,1,0,0,0,0|1,0,0]=3 697 B13R1.446 CCOC(=O)c1cc(Br)cnc1Cl 1P00159U [1,1,0,0,0,0|2,0,0]=4 698 B13R1.446 CCOC(=O)c1cc(Br)cnc1N 1P00DD3T [1,1,0,0,0,0|1,0,0]=3 699 B13R1.446 CCOC(=O)c1cc(Br)ncc1Cl 1P01ADBS [1,1,0,0,0,0|2,0,0]=4 700 B13R1.446 CCOC(=O)c1cc(Br)ncc1F 1P01KLDB [1,1,0,0,0,0|2,0,0]=4 701 B13R1.446 CCOC(=O)c1cc(Br)ncc1N 1P00I0MB [1,1,0,0,0,0|1,0,0]=3 702 B13R1.446 CCOC(=O)c1cc(C)ccc1C 1P00BZRF [1,1,0,0,0,0|0,0,0]=2 703 B13R1.446 CCOC(=O)c1cc(C)ccc1F 1P003QKR [1,1,0,0,0,0|1,0,0]=3 704 B13R1.446 CCOC(=O)c1cc(C)ccc1I 1P006HA6 [1,1,0,0,0,0|1,0,0]=3 705 B13R1.446 CCOC(=O)c1cc(C)ccc1N 1P00IAW0 [1,1,0,0,0,0|0,0,0]=2 706 B13R1.446 CCOC(=O)c1cc(C)cnc1Cl 1P003WEJ [1,1,0,0,0,0|2,0,0]=4 707 B13R1.446 CCOC(=O)c1cc(C)nnc1C 1P01A46G [1,1,0,0,0,0|2,0,0]=4 708 B13R1.446 CCOC(=O)c1cc(Cl)ccc1Br 1P00FFUS [1,1,0,0,0,0|1,0,0]=3 709 B13R1.446 CCOC(=O)c1cc(Cl)ccc1Cl 1P003QJ6 [1,1,0,0,0,0|1,0,0]=3 710 B13R1.446 CCOC(=O)c1cc(Cl)ccc1F 1P00GALG [1,1,0,0,0,0|1,0,0]=3 711 B13R1.446 CCOC(=O)c1cc(Cl)ccc1I 1P008UJZ [1,1,0,0,0,0|1,0,0]=3 712 B13R1.446 CCOC(=O)c1cc(Cl)cnc1Cl 1P001FVA [1,1,0,0,0,0|2,0,0]=4 713 B13R1.446 CCOC(=O)c1cc(Cl)cnc1F 1P0015AW [1,1,0,0,0,0|2,0,0]=4 714 B13R1.446 CCOC(=O)c1cc(Cl)cnc1N 1P00AOC7 [1,1,0,0,0,0|1,0,0]=3 715 B13R1.446 CCOC(=O)c1cc(Cl)ncc1Br 1P0015C4 [1,1,0,0,0,0|2,0,0]=4 716 B13R1.446 CCOC(=O)c1cc(Cl)ncc1Cl 1P00EJFV [1,1,0,0,0,0|2,0,0]=4 717 B13R1.446 CCOC(=O)c1cc(Cl)nnc1N 1P01C2NW [1,1,0,0,0,0|2,0,0]=4 718 B13R1.446 CCOC(=O)c1cc(F)ccc1Br 1P003QK8 [1,1,0,0,0,0|1,0,0]=3 719 B13R1.446 CCOC(=O)c1cc(F)ccc1F 1P00FID1 [1,1,0,0,0,0|1,0,0]=3 720 B13R1.446 CCOC(=O)c1cc(F)ccc1N 1P00CJIX [1,1,0,0,0,0|0,0,0]=2 721 B13R1.446 CCOC(=O)c1cc(F)cnc1Cl 1P009AYT [1,1,0,0,0,0|2,0,0]=4 722 B13R1.446 CCOC(=O)c1cc(F)cnc1N 1P01KLII [1,1,0,0,0,0|1,0,0]=3 723 B13R1.446 CCOC(=O)c1cc(I)ccc1Br 1P003QK9 [1,1,0,0,0,0|1,0,0]=3 724 B13R1.446 CCOC(=O)c1cc(I)ccc1F 1P00G62I [1,1,0,0,0,0|1,0,0]=3 725 B13R1.446 CCOC(=O)c1cc(I)ccc1N 1P003QJZ [1,1,0,0,0,0|0,0,0]=2 726 B13R1.446 CCOC(=O)c1cc(I)ccc1O 1P00ACBI [1,1,0,0,0,0|1,0,0]=3 727 B13R1.446 CCOC(=O)c1cc(I)cnc1N 1P00GAYQ [1,1,0,0,0,0|1,0,0]=3 728 B13R1.446 CCOC(=O)c1cc(N)ccc1Cl 1P00EEPY [1,1,0,0,0,0|1,0,0]=3 729 B13R1.446 CCOC(=O)c1cc(N)ccc1Cl 1P01EJQW [1,1,0,0,0,0|1,0,0]=3 730 B13R1.446 CCOC(=O)c1cc(N)ccc1F 1P000KMQ [1,1,0,0,0,0|1,0,0]=3 731 B13R1.446 CCOC(=O)c1cc(N)ccc1O 1P01ANFI [1,1,0,0,0,0|1,0,0]=3 732 B13R1.446 CCOC(=O)c1cc(N)cnc1Cl 1P0034NF [1,1,0,0,0,0|2,0,0]=4 733 B13R1.446 CCOC(=O)c1cc(O)ccc1F 1P009DDP [1,1,0,0,0,0|1,0,0]=3 734 B13R1.446 CCOC(=O)c1cc(O)ccc1O 1P003QJ7 [1,1,0,0,0,0|1,0,0]=3 735 B13R1.446 CCOC(=O)c1nc(Br)ccc1Br 1P0015DO [1,1,0,0,0,0|2,0,0]=4 736 B13R1.446 CCOC(=O)c1nc(Br)ccc1N 1P003JDL [1,1,0,0,0,0|1,0,0]=3 737 B13R1.446 CCOC(=O)c1nc(C)ccc1N 1P00IGSC [1,1,0,0,0,0|1,0,0]=3 738 B13R1.446 CCOC(=O)c1nc(Cl)ccc1Br 1P003QO1 [1,1,0,0,0,0|2,0,0]=4 739 B13R1.446 CCOC(=O)c1nc(Cl)ccc1F 1P01KL1A [1,1,0,0,0,0|2,0,0]=4 740 B13R1.446 CCOC(=O)c1nc(Cl)ccc1N 1P009XX6 [1,1,0,0,0,0|1,0,0]=3 741 B13R1.446 CCOC(=O)c1nc(Cl)ncc1N 1P0037YB [1,1,0,0,0,0|2,0,0]=4 742 B13R1.446 CCOC(=O)c1nc(F)ccc1Br 1P01B68L [1,1,0,0,0,0|2,0,0]=4 743 B13R1.446 CCOC(=O)c1nc(I)ccc1Cl 1P01DF0H [1,1,0,0,0,0|2,0,0]=4 744 B13R1.446 CCOC(=O)c1nc(N)ccc1Br 1P0015A1 [1,1,0,0,0,0|2,0,0]=4 745 B13R1.446 Cc1ccc(cc1C(=O)OCC)Br 1P00CJIY [1,1,0,0,0,0|0,0,0]=2 746 B13R1.446 Cc1ccc(cc1C(=O)OCC)Cl 1P00EQS1 [1,1,0,0,0,0|0,0,0]=2 747 B13R1.446 Cc1ccc(cc1C(=O)OCC)F 1P00EGD9 [1,1,0,0,0,0|0,0,0]=2 748 B13R1.446 Cc1ccc(cc1C(=O)OCC)I 1P00ED59 [1,1,0,0,0,0|0,0,0]=2 749 B13R1.446 Cc1ccc(cc1C(=O)OCC)N 1P00FES5 [1,1,0,0,0,0|0,0,0]=2 750 B13R1.446 Cc1ccc(nc1C(=O)OCC)Cl 1P00GMDR [1,1,0,0,0,0|1,0,0]=3 751 B13R1.446 Cc1cnc(cc1C(=O)OCC)Cl 1P004TV5 [1,1,0,0,0,0|1,0,0]=3 752 B13R1.446 Cc1cnc(cc1C(=O)OCC)O 1P01BUQV [1,1,0,0,0,0|1,0,0]=3 753 B13R1.446 Cc1cnc(nc1C(=O)OCC)N 1P01B8Y6 [1,1,0,0,0,0|2,0,0]=4 754 B13R1.446 Cc1ncc(cc1C(=O)OCC)Br 1P000ZM7 [1,1,0,0,0,0|1,0,0]=3 755 B13R1.446 Cc1ncc(cc1C(=O)OCC)N 1P00EKH4 [1,1,0,0,0,0|1,0,0]=3 756 B13R1.446 Cc1ncc(cc1C(=O)OCC)O 1P00EL0X [1,1,0,0,0,0|1,0,0]=3 757 B13R1.446 Nc1ccc(cc1C(=O)CCN)O 1P003BBP [1,1,0,0,0,0|2,0,0]=4 758 B13R1.674 C#CCNC(=O)c1ccccc1N 1P00D99J [1,1,0,0,0,0|1,0,1]=4 759 B13R1.674 C#CCNC(=O)c1ccccc1N 1P019VTN [1,1,0,0,0,0|1,0,1]=4 760 B13R1.674 C=CCNC(=O)c1ccccc1N 1P00DIWY [1,1,0,0,0,0|1,0,1]=4 761 B13R1.674 CCCCC(=O)c1ccccc1Cl 1P02519O [1,1,0,0,0,0|2,0,0]=4 762 B13R1.674 CCCCC(=O)c1ccccc1F 1P01RB8X [1,1,0,0,0,0|2,0,0]=4 763 B13R1.674 CCCNC(=O)c1ccccc1Br 1P00C1F6 [1,1,0,0,0,0|2,0,0]=4 764 B13R1.674 CCCNC(=O)c1ccccc1N 1P00EBP8 [1,1,0,0,0,0|1,0,0]=3 765 B13R1.674 CCCOC(=O)c1ccccc1Cl 1P018SS0 [1,1,0,0,0,0|1,0,0]=3 766 B13R1.674 CCCOC(=O)c1ccccc1O 1P003UNG [1,1,0,0,0,0|1,0,0]=3 767 B13R1.674 CCOCC(=O)c1ccccc1F 1P0285MV [1,1,0,0,0,0|1,0,0]=3 768 B13R1.674 ClCCCC(=O)c1ccccc1F 1P00386B [1,1,0,0,0,0|2,0,0]=4 769 B13R1.674 N#CCNC(=O)c1ccccc1N 1P01AHBE [1,1,0,0,0,0|1,0,1]=4 770 B13R1.674 NCCNC(=O)c1ccccc1Cl 1P019MME [1,1,0,0,0,0|2,0,0]=4 771 B13R1.674 NCCNC(=O)c1ccccc1F 1P01A1QR [1,1,0,0,0,0|2,0,0]=4 772 B13R1.674 NCCNC(=O)c1ccccc1N 1P01BFZ2 [1,1,0,0,0,0|1,0,0]=3 773 B13R1.674 NCCNC(=O)c1ccccc1N 1P028UX3 [1,1,0,0,0,0|1,0,0]=3 774 B13R1.674 NCCNC(=O)c1ccccc1O 1P027W8S [1,1,0,0,0,0|2,0,0]=4 775 B13R1.674 OCCNC(=O)c1ccccc1N 1P00DNI2 [1,1,0,0,0,0|1,0,0]=3 776 B13R1.674 OCCNC(=O)c1ccccc1N 1P01AGZ0 [1,1,0,0,0,0|1,0,0]=3 777 B13R1.674 OCCOC(=O)c1ccccc1O 1P004M9J [1,1,0,0,0,0|1,0,0]=3 778 B13R1.696 COC(=O)C(=O)c1ccccc1C 1P00CL6C [1,1,0,0,0,0|2,0,0]=4 779 B13R1.696 CON(C(=O)c1ccccc1C)C 1P009B5P [1,1,0,0,0,0|2,0,0]=4 780 B13R1.696 CON(C(=O)c1ccccc1N)C 1P0080QW [1,1,0,0,0,0|2,0,0]=4 781 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)Cl 1P003G7Y [1,1,0,0,0,0|2,0,0]=4 782 B13R1.1511 CCCC(=O)c1ccc(cc1F)Br 1P000W0E [1,1,0,0,0,0|2,0,0]=4 783 B13R1.1511 CCCC(=O)c1ccc(cc1O)O 1P00DACZ [1,1,0,0,0,0|2,0,0]=4 784 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F 1P019V8O [1,1,0,0,0,0|2,0,0]=4 785 B13R1.1511 CCNC(=O)c1ccc(cc1C)C 1P01DJCZ [1,1,0,0,0,0|1,0,0]=3 786 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)N 1P00J28V [1,1,0,0,0,0|2,0,0]=4 787 B13R1.1511 CCNC(=O)c1ccc(cc1N)Cl 1P019VRH [1,1,0,0,0,0|1,0,0]=3 788 B13R1.1511 CCOC(=N)c1ccc(cc1Cl)Cl 1P01EC3T [1,1,0,0,0,0|2,0,0]=4 789 B13R1.1511 CCOC(=O)c1c[nH]c(=O)cc1O 1P0034B1 [1,1,0,0,0,0|2,0,0]=4 790 B13R1.1511 CCOC(=O)c1ccc([nH]c1=O)C 1P00DGR3 [1,1,0,0,0,0|2,0,0]=4 791 B13R1.1511 CCOC(=O)c1ccc(cc1Br)Br 1P01FFZG [1,1,0,0,0,0|1,0,0]=3 792 B13R1.1511 CCOC(=O)c1ccc(cc1Br)C 1P001OKM [1,1,0,0,0,0|1,0,0]=3 793 B13R1.1511 CCOC(=O)c1ccc(cc1Br)Cl 1P005ZMX [1,1,0,0,0,0|1,0,0]=3 794 B13R1.1511 CCOC(=O)c1ccc(cc1Br)F 1P00EM2Y [1,1,0,0,0,0|1,0,0]=3 795 B13R1.1511 CCOC(=O)c1ccc(cc1C)Br 1P00BGQY [1,1,0,0,0,0|0,0,0]=2 796 B13R1.1511 CCOC(=O)c1ccc(cc1C)C 1P003QJ2 [1,1,0,0,0,0|0,0,0]=2 797 B13R1.1511 CCOC(=O)c1ccc(cc1C)Cl 1P00HYNF [1,1,0,0,0,0|0,0,0]=2 798 B13R1.1511 CCOC(=O)c1ccc(cc1C)F 1P001Y1H [1,1,0,0,0,0|0,0,0]=2 799 B13R1.1511 CCOC(=O)c1ccc(cc1C)N 1P00ICZJ [1,1,0,0,0,0|0,0,0]=2 800 B13R1.1511 CCOC(=O)c1ccc(cc1C)O 1P00IANB [1,1,0,0,0,0|0,0,0]=2 801 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Br 1P00ID5F [1,1,0,0,0,0|1,0,0]=3 802 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)C 1P00IKRD [1,1,0,0,0,0|1,0,0]=3 803 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Cl 1P00EACB [1,1,0,0,0,0|1,0,0]=3 804 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)F 1P00ASK0 [1,1,0,0,0,0|1,0,0]=3 805 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)I 1P00GVWQ [1,1,0,0,0,0|1,0,0]=3 806 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)N 1P001S6K [1,1,0,0,0,0|1,0,0]=3 807 B13R1.1511 CCOC(=O)c1ccc(cc1F)Br 1P0070WS [1,1,0,0,0,0|1,0,0]=3 808 B13R1.1511 CCOC(=O)c1ccc(cc1F)C 1P00DGIY [1,1,0,0,0,0|1,0,0]=3 809 B13R1.1511 CCOC(=O)c1ccc(cc1F)Cl 1P00DDAW [1,1,0,0,0,0|1,0,0]=3 810 B13R1.1511 CCOC(=O)c1ccc(cc1F)F 1P003QIY [1,1,0,0,0,0|1,0,0]=3 811 B13R1.1511 CCOC(=O)c1ccc(cc1F)I 1P002ASN [1,1,0,0,0,0|1,0,0]=3 812 B13R1.1511 CCOC(=O)c1ccc(cc1F)N 1P005KYJ [1,1,0,0,0,0|1,0,0]=3 813 B13R1.1511 CCOC(=O)c1ccc(cc1I)Cl 1P00HA6K [1,1,0,0,0,0|1,0,0]=3 814 B13R1.1511 CCOC(=O)c1ccc(cc1N)Br 1P009KTS [1,1,0,0,0,0|0,0,0]=2 815 B13R1.1511 CCOC(=O)c1ccc(cc1N)C 1P01J7NB [1,1,0,0,0,0|0,0,0]=2 816 B13R1.1511 CCOC(=O)c1ccc(cc1N)Cl 1P00EC3P [1,1,0,0,0,0|0,0,0]=2 817 B13R1.1511 CCOC(=O)c1ccc(cc1N)F 1P000EKQ [1,1,0,0,0,0|0,0,0]=2 818 B13R1.1511 CCOC(=O)c1ccc(cc1O)F 1P001ZL4 [1,1,0,0,0,0|1,0,0]=3 819 B13R1.1511 CCOC(=O)c1ccc(cc1O)O 1P003QJ0 [1,1,0,0,0,0|1,0,0]=3 820 B13R1.1511 CCOC(=O)c1ccc(nc1C)C 1P00APM6 [1,1,0,0,0,0|1,0,0]=3 821 B13R1.1511 CCOC(=O)c1ccc(nc1Cl)Br 1P0015AR [1,1,0,0,0,0|2,0,0]=4 822 B13R1.1511 CCOC(=O)c1ccc(nc1Cl)C 1P00CLNX [1,1,0,0,0,0|2,0,0]=4 823 B13R1.1511 CCOC(=O)c1ccc(nc1Cl)Cl 1P00ED67 [1,1,0,0,0,0|2,0,0]=4 824 B13R1.1511 CCOC(=O)c1ccc(nc1N)C 1P005QHC [1,1,0,0,0,0|1,0,0]=3 825 B13R1.1511 CCOC(=O)c1cnc(=O)[nH]c1N 1P0028DF [1,1,0,0,0,0|2,0,0]=4 826 B13R1.1511 CCOC(=O)c1cnc(=S)[nH]c1N 1P003QTT [1,1,0,0,0,0|2,0,0]=4 827 B13R1.1511 CCOC(=O)c1cnc(cc1Br)Cl 1P01FSJN [1,1,0,0,0,0|2,0,0]=4 828 B13R1.1511 CCOC(=O)c1cnc(cc1C)C 1P00DGTC [1,1,0,0,0,0|1,0,0]=3 829 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl 1P0035BR [1,1,0,0,0,0|2,0,0]=4 830 B13R1.1511 CCOC(=O)c1cnc(cc1N)Cl 1P00CJ8Z [1,1,0,0,0,0|1,0,0]=3 831 B13R1.1511 CCOC(=O)c1cnc(nc1C)Br 1P0201BA [1,1,0,0,0,0|2,0,0]=4 832 B13R1.1511 CCOC(=O)c1cnc(nc1C)C 1P007PFL [1,1,0,0,0,0|2,0,0]=4 833 B13R1.1511 CCOC(=O)c1cnc(nc1C)Cl 1P002HS5 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.1511 CCOC(=O)c1cnc(nc1C)N 1P0058UE [1,1,0,0,0,0|2,0,0]=4 835 B13R1.1511 CCOC(=O)c1cnc(nc1C)O 1P00IBG3 [1,1,0,0,0,0|2,0,0]=4 836 B13R1.1511 CCOC(=O)c1cnc(nc1C)S 1P00IDNS [1,1,0,0,0,0|2,0,0]=4 837 B13R1.1511 CCOC(=O)c1cnc(nc1N)C 1P00DJ2N [1,1,0,0,0,0|2,0,0]=4 838 B13R1.1511 CCOC(=O)c1cnc(nc1N)Cl 1P00371P [1,1,0,0,0,0|2,0,0]=4 839 B13R1.1511 CCOC(=O)c1cnc(nc1N)N 1P00AQDR [1,1,0,0,0,0|2,0,0]=4 840 B13R1.1511 CCOC(=O)c1cnc(nc1N)[S-] 1P01EIPJ [1,1,0,0,0,0|2,0,0]=4 841 B13R1.1511 CCOC(=O)c1ncc(cc1Br)C 1P01JWL7 [1,1,0,0,0,0|2,0,0]=4 842 B13R1.1511 CCOC(=O)c1ncc(cc1C)Br 1P01DNZ9 [1,1,0,0,0,0|1,0,0]=3 843 B13R1.1511 CCOC(=O)c1ncc(cc1Cl)N 1P003MUE [1,1,0,0,0,0|2,0,0]=4 844 B13R1.1511 CCOC(=O)c1ncc(cc1F)F 1P0095WA [1,1,0,0,0,0|2,0,0]=4 845 B13R1.1511 CCOC(=O)c1ncc(cc1N)Br 1P009D5F [1,1,0,0,0,0|1,0,0]=3 846 B13R1.1511 CCOC(=O)c1ncc(cc1N)Cl 1P00BI6Y [1,1,0,0,0,0|1,0,0]=3 847 B13R1.1511 CCOC(=O)c1ncc(cc1O)Br 1P01K27S [1,1,0,0,0,0|2,0,0]=4 848 B13R1.1511 CCOC(=O)c1ncc(nc1N)Cl 1P001BA9 [1,1,0,0,0,0|2,0,0]=4 849 B13R1.1511 Cc1c(ccc(=O)[nH]1)C(=O)OCC 1P00CJ8Y [1,1,0,0,0,0|1,0,0]=3 850 B13R1.1511 Cc1nc(Br)ccc1C(=O)OCC 1P01DT8L [1,1,0,0,0,0|1,0,0]=3 851 B13R1.1511 Cc1nc(Cl)ccc1C(=O)OCC 1P007IXH [1,1,0,0,0,0|1,0,0]=3 852 B13R1.1511 ClCOC(=O)c1ccc(cc1Cl)Cl 1P0039HA [1,1,0,0,0,0|2,0,0]=4 853 B13R1.2819 CCNS(=O)(=O)c1ccccc1C 1P003THK [1,1,0,0,0,0|2,0,0]=4 854 B13R1.2819 CCNS(=O)(=O)c1ccccc1C 1P008RGD [1,1,0,0,0,0|2,0,0]=4 855 B13R1.2819 CCNS(=O)(=O)c1ccccc1N 1P0068JX [1,1,0,0,0,0|2,0,0]=4 856 B13R1.2819 CCOS(=O)(=O)c1ccccc1C 1P00EV51 [1,1,0,0,0,0|1,0,0]=3 857 B13R1.4453 CCCC(=O)c1c(F)cccc1F 1P01CUOM [1,1,0,0,0,0|2,0,0]=4 858 B13R1.4453 CCNC(=O)c1c(F)cccc1F 1P01DWVC [1,1,0,0,0,0|2,0,0]=4 859 B13R1.4453 CCOC(=O)c1c(Br)cncc1Br 1P0015DP [1,1,0,0,0,0|2,0,0]=4 860 B13R1.4453 CCOC(=O)c1c(C)cccc1C 1P003QJF [1,1,0,0,0,0|0,0,0]=2 861 B13R1.4453 CCOC(=O)c1c(C)cccc1N 1P01DPBA [1,1,0,0,0,0|0,0,0]=2 862 B13R1.4453 CCOC(=O)c1c(C)cccc1O 1P0033TB [1,1,0,0,0,0|0,0,0]=2 863 B13R1.4453 CCOC(=O)c1c(C)ccnc1Br 1P00FLTJ [1,1,0,0,0,0|1,0,0]=3 864 B13R1.4453 CCOC(=O)c1c(C)ccnc1C 1P003QJ3 [1,1,0,0,0,0|1,0,0]=3 865 B13R1.4453 CCOC(=O)c1c(C)ccnc1Cl 1P00DK2W [1,1,0,0,0,0|1,0,0]=3 866 B13R1.4453 CCOC(=O)c1c(C)cncc1Cl 1P0280XC [1,1,0,0,0,0|1,0,0]=3 867 B13R1.4453 CCOC(=O)c1c(C)cnnc1Cl 1P0290A5 [1,1,0,0,0,0|2,0,0]=4 868 B13R1.4453 CCOC(=O)c1c(C)cnnc1O 1P0288SK [1,1,0,0,0,0|2,0,0]=4 869 B13R1.4453 CCOC(=O)c1c(C)ncnc1Cl 1P001QBQ [1,1,0,0,0,0|2,0,0]=4 870 B13R1.4453 CCOC(=O)c1c(Cl)cccc1Br 1P01EEC9 [1,1,0,0,0,0|1,0,0]=3 871 B13R1.4453 CCOC(=O)c1c(Cl)cccc1Cl 1P003QJC [1,1,0,0,0,0|1,0,0]=3 872 B13R1.4453 CCOC(=O)c1c(Cl)ccnc1Br 1P000OQ9 [1,1,0,0,0,0|2,0,0]=4 873 B13R1.4453 CCOC(=O)c1c(Cl)ccnc1C 1P001VBO [1,1,0,0,0,0|1,0,0]=3 874 B13R1.4453 CCOC(=O)c1c(Cl)ccnc1Cl 1P00EIT4 [1,1,0,0,0,0|2,0,0]=4 875 B13R1.4453 CCOC(=O)c1c(F)cccc1Br 1P0015DI [1,1,0,0,0,0|1,0,0]=3 876 B13R1.4453 CCOC(=O)c1c(F)cccc1Cl 1P00G7H6 [1,1,0,0,0,0|1,0,0]=3 877 B13R1.4453 CCOC(=O)c1c(F)cccc1F 1P002F5T [1,1,0,0,0,0|1,0,0]=3 878 B13R1.4453 CCOC(=O)c1c(F)cncc1Br 1P0015AQ [1,1,0,0,0,0|2,0,0]=4 879 B13R1.4453 CCOC(=O)c1c(N)cccc1Cl 1P00AP0P [1,1,0,0,0,0|0,0,0]=2 880 B13R1.4453 CCOC(=O)c1c(N)cccc1F 1P01A5CP [1,1,0,0,0,0|0,0,0]=2 881 B13R1.4453 CCOC(=O)c1c(N)ccnc1Cl 1P01K2A4 [1,1,0,0,0,0|1,0,0]=3 882 B13R1.4453 CCOC(=O)c1c(N)ncnc1Cl 1P029010 [1,1,0,0,0,0|2,0,0]=4 883 B13R1.4453 CCOC(=O)c1c(O)cccc1Cl 1P007C8X [1,1,0,0,0,0|1,0,0]=3 884 B13R1.4453 CCOC(=O)c1c(O)cccc1F 1P01FF7X [1,1,0,0,0,0|1,0,0]=3 885 B13R1.4453 CCOC(=O)c1c(O)cccc1O 1P003QJE [1,1,0,0,0,0|1,0,0]=3 886 B13R1.208 COCc1cc[nH]c1C(=O)OCC 1P028TWC [0,1,0,0,1,0|2,0,0]=4 887 B13R1.454 CCOC(=O)c1nc(sc1NC)Br 1P01AJN2 [0,1,0,0,1,0|2,0,0]=4 888 B13R1.1508 CCOC(=O)c1[nH]cc(c1CC)C 1P01DJM9 [0,1,0,0,1,0|2,0,0]=4 889 B13R1.1524 CCOC(=O)c1c(NC)onc1C 1P01AMCI [0,1,0,0,1,0|2,0,0]=4 890 B15R1.1274 CCOC(=O)Cc1ccccc1[N+](=O)[O-] 1P003QLQ [0,1,0,0,0,1|1,0,1]=4 891 B15R1.1274 CCOC(=O)Nc1ccccc1C(=O)C 1P00IBBP [0,1,0,0,0,1|1,0,0]=3 892 B15R1.3880 OCCc1ccccc1CC(=O)OCC 1P01B9NM [0,1,0,0,0,1|1,0,0]=3 893 B15R1.5925 CCCCC(=O)Oc1ccccc1CC 1P00FB0I [0,1,0,0,0,1|2,0,0]=4 894 B15R1.5925 CCNCC(=O)Nc1ccccc1OC 1P019J5D [0,1,0,0,0,1|2,0,0]=4 895 B15R1.5925 CCNCC(=O)Nc1ccccc1OC 1P019MKN [0,1,0,0,0,1|2,0,0]=4 896 B15R1.9725 CCCC(=O)Nc1ccc(cc1OC)N 1P00J23R [0,1,0,0,0,1|2,0,0]=4 897 B15R1.9725 CCNC(=O)Nc1ccc(cc1OC)Br 1P0202FG [0,1,0,0,0,1|2,0,0]=4 898 B15R1.9725 CCOC(=O)Nc1ccc(cc1C#N)Br 1P0071GD [0,1,0,0,0,1|2,0,0]=4 899 B15R1.9725 CCOC(=O)Nc1ccc(cc1C#N)N 1P01A0ND [0,1,0,0,0,1|2,0,0]=4 900 B15R1.810 CCOC(=O)c1ccccc1OC(=O)C 1P003QJI [0,2,0,0,0,0|1,0,0]=3 901 B15R1.810 CCOC(=O)c1ccccc1OC(=O)N 1P01C3AX [0,2,0,0,0,0|1,0,1]=4 902 B15R1.5618 CCOC(=O)c1cc(Cl)ccc1OCC 1P016FC8 [0,2,0,0,0,0|1,0,0]=3 903 B15R1.9231 CCOC(=O)c1ccc(cc1OCC)C 1P0089TQ [0,2,0,0,0,0|1,0,0]=3 904 B15R1.9231 CCOC(=O)c1cnc(cc1OCC)Cl 1P00C92G [0,2,0,0,0,0|2,0,0]=4 905 B15R1.16518 CCOC(=O)c1c(OCC)cc[nH]c1=O 1P000EPO [0,2,0,0,0,0|2,0,0]=4 906 B15R1.16518 CCOC(=O)c1c(OCC)ccnc1Cl 1P008U7C [0,2,0,0,0,0|2,0,0]=4 907 B15R1.765 CCOC(=O)c1cc(C)ccc1[N+](=O)[O-] 1P01CUJS [0,2,0,0,0,0|1,0,1]=4 908 B15R1.765 CCOC(=O)c1cc(Cl)ccc1B(O)O 1P004SYJ [0,2,0,0,0,0|2,0,0]=4 909 B15R1.765 CCOC(=O)c1cc(F)ccc1B(O)O 1P003C0T [0,2,0,0,0,0|2,0,0]=4 910 B15R1.765 [O-][N+](=O)c1ccc(cc1C(=O)OCC)Cl 1P00I9NF [0,2,0,0,0,0|1,0,1]=4 911 B15R1.765 [O-][N+](=O)c1ccc(cc1C(=O)OCC)F 1P00CJJ0 [0,2,0,0,0,0|1,0,1]=4 912 B15R1.3762 COc1ccc(cc1C(=O)CC(C)C)Cl 1P01AJZ0 [0,2,0,0,0,0|2,0,0]=4 913 B15R1.811 CCOC(=O)c1ccccc1C(F)(F)F 1P00E9OV [0,2,0,0,0,0|2,0,0]=4 914 B15R1.811 CCOC(=O)c1ccccc1S(=O)(=O)Cl 1P009KZO [0,2,0,0,0,0|2,0,0]=4 915 B15R1.811 CCOC(=O)c1ccccc1S(=O)(=O)N 1P00IB2H [0,2,0,0,0,0|2,0,0]=4 916 B15R1.811 CCOC(=O)c1ccccc1S(=O)(=O)[O-] 1P01FAM3 [0,2,0,0,0,0|2,0,0]=4 917 B15R1.811 CCOC(=O)c1ccccc1[B-](F)(F)F 1P004YV5 [0,2,0,0,0,0|2,0,0]=4 918 B15R1.1239 OCCOC(=O)c1ccccc1C(=O)[O-] 1P0025EV [0,2,0,0,0,0|2,0,0]=4 919 B15R1.5509 CC(OC(=O)c1ccccc1B(O)O)C 1P0251H7 [0,2,0,0,0,0|2,0,0]=4 920 B15R1.5509 CC(OC(=O)c1ccccc1C(=O)O)C 1P007G88 [0,2,0,0,0,0|2,0,0]=4 921 B15R1.10569 CCOC(=O)c1ccc(cc1B(O)O)Cl 1P004UCA [0,2,0,0,0,0|2,0,0]=4 922 B15R1.10569 CCOC(=O)c1ccc(cc1B(O)O)F 1P00H8KB [0,2,0,0,0,0|2,0,0]=4 923 B15R1.10569 CCOC(=O)c1ccc(cc1C(=O)C)Br 1P028X77 [0,2,0,0,0,0|1,0,0]=3 924 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])Br 1P00I9WR [0,2,0,0,0,0|1,0,1]=4 925 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])F 1P009OH2 [0,2,0,0,0,0|1,0,1]=4 926 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])N 1P004S07 [0,2,0,0,0,0|1,0,1]=4 927 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])O 1P007YLH [0,2,0,0,0,0|1,0,1]=4 928 B15R1.10602 CCOC(=O)c1cccc(c1[N+](=O)[O-])C 1P00E4GI [0,2,0,0,0,0|1,0,1]=4 929 B15R1.10602 [O-][N+](=O)c1c(cccc1Cl)C(=O)OCC 1P01ACXF [0,2,0,0,0,0|1,0,1]=4 930 B15R1.10602 [O-][N+](=O)c1c(cccc1F)C(=O)OCC 1P001U4K [0,2,0,0,0,0|1,0,1]=4 931 B15R1.10602 [O-][N+](=O)c1c(cccc1N)C(=O)OCC 1P00AMN3 [0,2,0,0,0,0|1,0,1]=4 932 B15R1.10602 [O-][N+](=O)c1c(cccc1O)C(=O)OCC 1P00GQ4J [0,2,0,0,0,0|1,0,1]=4 933 B15R1.10616 CCOC(=O)c1c(F)cccc1[N+](=O)[O-] 1P000GGQ [0,2,0,0,0,0|1,0,1]=4 934 B15R1.4541 BrCc1ccccc1C(=O)OC(C)(C)C 1P007FBI [0,2,0,0,0,0|2,0,0]=4 935 B15R1.4541 CNc1ccccc1C(=O)OC(C)(C)C 1P028QRD [0,2,0,0,0,0|0,0,0]=2 936 B15R1.4541 CNc1cnccc1C(=O)OC(C)(C)C 1P0283RP [0,2,0,0,0,0|1,0,0]=3 937 B15R1.4541 NCc1ccccc1C(=O)OC(C)(C)C 1P01BRXT [0,2,0,0,0,0|2,0,0]=4 938 B15R1.4541 O=Cc1ccccc1C(=O)OC(C)(C)C 1P01FFW7 [0,2,0,0,0,0|2,0,0]=4 939 B15R1.86 CNc1ccccc1C(=O)OCC(C)C 1P003RJ3 [0,2,0,0,0,0|0,0,0]=2 940 B15R1.10554 CCOC(=O)c1ccc(cc1CBr)OC 1P00IAJ9 [0,2,0,0,0,0|2,0,0]=4 941 B15R1.10554 CCOC(=O)c1ccc(cc1OC)OC 1P01FFW6 [0,2,0,0,0,0|1,0,0]=3 942 B15R1.10554 CCOC(=O)c1cnc(nc1NC)SC 1P003QPV [0,2,0,0,0,0|2,0,0]=4 943 B15R1.36563 CCOC(=O)c1c(C)cc(nc1OC)C 1P0082Y4 [0,2,0,0,0,0|2,0,0]=4 944 B13R1.42 CCOC(=O)C=Cc1ccccc1 1P00CJEE [0,0,1,1,0,0|1,0,1]=4 945 B13R1.42 CCOC(=O)\C=C\c1ccccc1 1P003QV8 [0,0,1,1,0,0|1,0,1]=4 946 B13R1.42 CCOC(=O)\C=C\c1ccccn1 1P005UNS [0,0,1,1,0,0|2,0,0]=4 947 B13R1.42 CCOC(=O)\C=C\c1cccnc1 1P007L23 [0,0,1,1,0,0|0,0,2]=4 948 B13R1.470 CCOC(=O)Cc1ccccc1C 1P003QWY [0,0,1,1,0,0|1,0,1]=4 949 B13R1.460 CCOC(=O)c1cccc(c1)C=C 1P00C7CJ [0,0,1,1,0,0|1,0,1]=4 950 B13R1.466 CCOC(=O)c1ccc(c(c1)C)Br 1P001SAH [0,0,1,1,0,0|2,0,0]=4 951 B13R1.466 CCOC(=O)c1ccc(c(c1)C)C 1P00D1UQ [0,0,1,1,0,0|1,0,1]=4 952 B13R1.466 CCOC(=O)c1ccc(c(c1)C)I 1P00HAGL [0,0,1,1,0,0|2,0,0]=4 953 B13R1.466 CCOC(=O)c1ccc(c(c1)C)N 1P00I8GH [0,0,1,1,0,0|2,0,0]=4 954 B13R1.47 CCOC(=O)C(=C)c1ccccc1 1P003QUX [0,0,1,1,0,0|1,0,1]=4 955 B13R1.2909 CCOC(=O)C(=O)c1nccn1C 1P00EDR2 [0,0,1,1,0,0|2,0,0]=4 956 B13R2.32 BrC1CCc2c(C1=O)cccc2 1P0012R0 [1,0,0,1,0,0|2,0,0]=4 957 B13R2.32 BrC1COc2c(C1=O)cccc2 1P0025VS [1,0,0,1,0,0|2,0,0]=4 958 B13R2.32 CC1CCc2c(C1=O)cccc2 1P001RJZ [1,0,0,1,0,0|1,0,0]=3 959 B13R2.32 CC1CNc2c(C1=O)cccc2 1P01SQQK [1,0,0,1,0,0|0,0,0]=2 960 B13R2.32 CC1COc2c(C1=O)cccc2 1P00ANNP [1,0,0,1,0,0|1,0,0]=3 961 B13R2.32 CC1CSc2c(C1=O)cccc2 1P00GQ3B [1,0,0,1,0,0|1,0,0]=3 962 B13R2.32 ClC1CCc2c(C1=O)cccc2 1P01A1Y7 [1,0,0,1,0,0|2,0,0]=4 963 B13R2.32 FC1CCc2c(C1=O)cccc2 1P0061ZS [1,0,0,1,0,0|2,0,0]=4 964 B13R2.32 FC1COc2c(C1=O)cccc2 1P00DWV6 [1,0,0,1,0,0|2,0,0]=4 965 B13R2.32 NC1CCc2c(C1=O)cccc2 1P00EI2Y [1,0,0,1,0,0|2,0,0]=4 966 B13R2.32 NC1COc2c(C1=O)cccc2 1P01A3G1 [1,0,0,1,0,0|2,0,0]=4 967 B13R2.32 NC1CSc2c(C1=O)cccc2 1P028H1H [1,0,0,1,0,0|2,0,0]=4 968 B13R2.32 OC1CCc2c(C1=O)cccc2 1P00H67T [1,0,0,1,0,0|2,0,0]=4 969 B13R2.32 OC1COc2c(C1=O)cccc2 1P01DX3V [1,0,0,1,0,0|2,0,0]=4 970 B13R2.371 C=C1CCC(c2c1cccc2)C 1P023Q6I [1,0,0,1,0,0|2,0,0]=4 971 B13R2.371 CN1CCC(c2c1cccc2)N 1P00G9J2 [1,0,0,1,0,0|1,0,1]=4 972 B13R2.371 CN1CCC(c2c1cccc2)N 1P024H9L [1,0,0,1,0,0|1,0,1]=4 973 B13R2.371 Cn1ccc(=O)c2c1cccc2 1P00503X [1,0,0,1,0,0|0,0,2]=4 974 B13R2.371 Cn1ncc(=O)c2c1cccc2 1P001OIA [1,0,0,1,0,0|1,0,1]=4 975 B13R2.371 O=C1CCC(c2c1cccc2)C 1P002BW9 [1,0,0,1,0,0|1,0,0]=3 976 B13R2.371 O=C1CCC(c2c1cccc2)N 1P00F5R0 [1,0,0,1,0,0|2,0,0]=4 977 B13R2.371 O=C1CCC(c2c1cccc2)O 1P002L65 [1,0,0,1,0,0|2,0,0]=4 978 B13R2.371 O=C1CCN(c2c1cccc2)C 1P01A2JS [1,0,0,1,0,0|0,0,0]=2 979 B13R2.371 O=C1OCC(=O)c2c1cccc2 1P00EWTJ [1,0,0,1,0,0|2,0,0]=4 980 B13R2.582 CCc1cccc2c1C(=O)CC2 1P00DXTI [1,0,0,1,0,0|1,0,0]=3 981 B13R2.582 COc1cccc2c1C(=O)CC2 1P0034V3 [1,0,0,1,0,0|1,0,0]=3 982 B13R2.582 COc1cccc2c1C(=O)CO2 1P005R6B [1,0,0,1,0,0|2,0,0]=4 983 B13R2.582 COc1cccc2c1C(=O)NC2 1P00II2W [1,0,0,1,0,0|2,0,0]=4 984 B13R2.582 COc1cccc2c1C(=O)OC2 1P00CF8K [1,0,0,1,0,0|1,0,0]=3 985 B13R2.582 N#Cc1cccc2c1C(=O)CC2 1P007QKV [1,0,0,1,0,0|2,0,0]=4 986 B13R2.582 NCc1cccc2c1C(=O)OC2 1P027W0C [1,0,0,1,0,0|2,0,0]=4 987 B13R2.582 O=Cc1cccc2c1C(=O)OC2 1P027V2Y [1,0,0,1,0,0|2,0,0]=4 988 B13R2.582 OCc1cccc2c1C(=O)OC2 1P027VHH [1,0,0,1,0,0|2,0,0]=4 989 B13R2.1613 CCC1=NCCc2c1cccc2 1P01FPDQ [1,0,0,1,0,0|2,0,0]=4 990 B13R2.1613 CCC1CCNc2c1cccc2 1P01DWPJ [1,0,0,1,0,0|1,0,1]=4 991 B13R2.1613 CCN1CCNc2c1cccc2 1P005KRN [1,0,0,1,0,0|2,0,0]=4 992 B13R2.2931 BrCc1nn(c2c1cccc2)C 1P00I03I [1,0,0,1,0,0|2,0,0]=4 993 B13R2.2931 CNc1cn(c2c1cccc2)C 1P027YS7 [1,0,0,1,0,0|2,0,0]=4 994 B13R2.2931 ClCc1nn(c2c1cccc2)C 1P001Q6D [1,0,0,1,0,0|2,0,0]=4 995 B13R2.2931 NCc1cn(c2c1cccc2)C 1P001HH0 [1,0,0,1,0,0|2,0,0]=4 996 B13R2.2931 NCc1cn(c2c1cccc2)C 1P007RIP [1,0,0,1,0,0|2,0,0]=4 997 B13R2.2931 NCc1nn(c2c1cccc2)C 1P0082X3 [1,0,0,1,0,0|2,0,0]=4 998 B13R2.2931 NCc1nn(c2c1cccc2)C 1P008Q1Y [1,0,0,1,0,0|2,0,0]=4 999 B13R2.2931 OCc1cn(c2c1cccc2)C 1P00ICF8 [1,0,0,1,0,0|2,0,0]=4 1000 B13R2.2931 OCc1nn(c2c1cccc2)C 1P001Q6E [1,0,0,1,0,0|2,0,0]=4 1001 B13R2.3085 Cn1c2ccccc2c(c1C)Br 1P0057EC [1,0,0,1,0,0|1,0,1]=4 1002 B13R2.3085 O=C1c2ccccc2N(C1=O)C 1P002AU5 [1,0,0,1,0,0|1,0,1]=4 1003 B13R2.5252 C=C1CCCOc2c1cccc2 1P0029US [1,0,0,1,0,0|2,0,0]=4 1004 B13R2.5252 CC1CCCNc2c1cccc2 1P01A7HU [1,0,0,1,0,0|1,0,1]=4 1005 B13R2.5252 CN1CCCNc2c1cccc2 1P00C9I1 [1,0,0,1,0,0|2,0,0]=4 1006 B13R2.5252 O=C1CCCCc2c1cccc2 1P008KEV [1,0,0,1,0,0|1,0,0]=3 1007 B13R2.5252 O=C1CCCNc2c1cccc2 1P003DQU [1,0,0,1,0,0|0,0,0]=2 1008 B13R2.5252 O=C1CCCOc2c1cccc2 1P005POS [1,0,0,1,0,0|1,0,0]=3 1009 B13R2.5252 O=C1CCCSc2c1cccc2 1P00BI6V [1,0,0,1,0,0|1,0,0]=3 1010 B13R2.5252 O=C1CCNCc2c1cccc2 1P009D2A [1,0,0,1,0,0|2,0,0]=4 1011 B13R2.5252 O=C1CSCCc2c1cccc2 1P006UV1 [1,0,0,1,0,0|2,0,0]=4 1012 B13R2.5252 O=C1NCCCc2c1cccc2 1P00FBCB [1,0,0,1,0,0|2,0,0]=4 1013 B13R2.5252 O=C1NCCNc2c1cccc2 1P002W4X [1,0,0,1,0,0|1,0,0]=3 1014 B13R2.5252 O=C1NCCOc2c1cccc2 1P00FEL2 [1,0,0,1,0,0|2,0,0]=4 1015 B13R2.5252 O=C1NCCSc2c1cccc2 1P001M6J [1,0,0,1,0,0|2,0,0]=4 1016 B13R2.5252 O=S1CCCNc2c1cccc2 1P019SU5 [1,0,0,1,0,0|1,0,0]=3 1017 B13R2.1 CCOc1nsc2c1cccc2 1P01EARH [1,0,0,1,0,0|2,0,0]=4 1018 B13R2.33 CC1CNc2c(CC1)cccc2 1P028F4V [1,0,0,1,0,0|1,0,1]=4 1019 B13R2.33 CC1CNc2c(CN1)cccc2 1P028X8P [1,0,0,1,0,0|1,0,1]=4 1020 B13R2.33 CC1CNc2c(NC1)cccc2 1P0080ZR [1,0,0,1,0,0|2,0,0]=4 1021 B13R2.33 CC1CSc2c(NC1)cccc2 1P01A2W2 [1,0,0,1,0,0|2,0,0]=4 1022 B13R2.45 NCc1cc2c(n1C)cccc2 1P00DKA5 [1,0,0,1,0,0|2,0,0]=4 1023 B13R2.45 OCc1cc2c(n1C)cccc2 1P001LFF [1,0,0,1,0,0|2,0,0]=4 1024 B13R2.57 CCC1CNc2c(O1)cccc2 1P007VCM [1,0,0,1,0,0|2,0,0]=4 1025 B13R2.67 C1CCNc2c(CC1)cccc2 1P019SFP [1,0,0,1,0,0|1,0,1]=4 1026 B13R2.67 C1CCNc2c(CC1)cccc2 1P019SLP [1,0,0,1,0,0|1,0,1]=4 1027 B13R2.67 C1CCNc2c(CN1)cccc2 1P00HU97 [1,0,0,1,0,0|1,0,1]=4 1028 B13R2.18 Nc1ccccc1C2OCCO2 1P00BJ6R [1,0,0,1,0,0|0,0,2]=4 1029 B13R2.18 Oc1ccccc1C2=NCCO2 1P0028NM [1,0,0,1,0,0|2,0,0]=4 1030 B13R2.328 CC1CC(=O)c2c(N1)cccc2 1P0030MC [1,0,0,1,0,0|1,0,0]=3 1031 B13R2.328 CC1CC(=O)c2c(S1)cccc2 1P005BPY [1,0,0,1,0,0|2,0,0]=4 1032 B13R2.328 CC1Cc2cccnc2C(=O)C1 1P028BUF [1,0,0,1,0,0|2,0,0]=4 1033 B13R2.328 CN1CC(=O)c2c(C1)cccc2 1P00BWK4 [1,0,0,1,0,0|2,0,0]=4 1034 B13R2.328 Cc1cc(=O)c2c([nH]1)cccc2 1P00EGLB [1,0,0,1,0,0|1,0,1]=4 1035 B13R2.328 Cc1nc2ccccc2c(=O)o1 1P00DF1O [1,0,0,1,0,0|0,0,2]=4 1036 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 1P0035GP [1,0,0,1,0,0|1,0,1]=4 1037 B13R2.328 O=c1oc(=O)c2c([nH]1)cccc2 1P0035I4 [1,0,0,1,0,0|1,0,1]=4 1038 B13R2.3097 O=C(c1ccccc1C)C2CC2 1P0078KL [1,0,0,1,0,0|1,0,0]=3 1039 B13R2.3097 O=C(c1ccccc1O)C2CC2 1P009ZB6 [1,0,0,1,0,0|2,0,0]=4 1040 B13R2.3097 O=C(c1cnccc1N)C2CC2 1P01AFX6 [1,0,0,1,0,0|2,0,0]=4 1041 B13R2.3097 O=C(c1cnccc1N)C2CC2 1P01AGIP [1,0,0,1,0,0|2,0,0]=4 1042 B13R2.4818 O=C1CCCc2c1c(Br)ccc2 1P00IBXH [1,0,0,1,0,0|2,0,0]=4 1043 B13R2.4818 O=C1CCCc2c1c(C)ccc2 1P00DLB0 [1,0,0,1,0,0|1,0,0]=3 1044 B13R2.4818 O=C1CCCc2c1c(Cl)ccc2 1P00ICAV [1,0,0,1,0,0|2,0,0]=4 1045 B13R2.4818 O=C1CCCc2c1c(F)ccc2 1P00EAVT [1,0,0,1,0,0|2,0,0]=4 1046 B13R2.4818 O=C1CCCc2c1c(N)ccc2 1P002L6K [1,0,0,1,0,0|1,0,0]=3 1047 B13R2.4818 O=C1CCCc2c1c(O)ccc2 1P005S87 [1,0,0,1,0,0|2,0,0]=4 1048 B13R2.4818 O=C1CCNc2c1c(C)ccc2 1P00CMTJ [1,0,0,1,0,0|2,0,0]=4 1049 B13R2.4818 O=C1CCOc2c1c(C)ccc2 1P00384N [1,0,0,1,0,0|2,0,0]=4 1050 B13R2.4818 O=C1NCCc2c1c(Br)ccc2 1P008Y7F [1,0,0,1,0,0|2,0,0]=4 1051 B13R2.4818 O=C1NCCc2c1c(C)ccc2 1P0091IO [1,0,0,1,0,0|1,0,0]=3 1052 B13R2.4818 O=C1NCCc2c1c(F)ccc2 1P01V85D [1,0,0,1,0,0|2,0,0]=4 1053 B13R2.4818 O=C1NCCc2c1c(N)ccc2 1P01XD8Y [1,0,0,1,0,0|1,0,0]=3 1054 B13R2.4857 O=C1OC(=O)c2c1c(C)ccc2 1P0034KL [1,0,0,1,0,0|1,0,1]=4 1055 B13R2.4857 O=C1OC(=O)c2c1c(N)ccc2 1P001ZRW [1,0,0,1,0,0|1,0,1]=4 1056 B15R2.73 CCOC(=O)C1CNc2c1cccc2 1P000HIQ [0,0,0,1,0,1|0,0,0]=2 1057 B15R2.73 CCOC(=O)C1COc2c1cccc2 1P01A3I3 [0,0,0,1,0,1|1,0,0]=3 1058 B15R2.73 CCOC(=O)c1c[nH]c2c1cccc2 1P003QW5 [0,0,0,1,0,1|0,0,1]=3 1059 B15R2.73 CCOC(=O)c1c[nH]c2c1ccnc2 1P0064UF [0,0,0,1,0,1|1,0,1]=4 1060 B15R2.73 CCOC(=O)c1c[nH]c2c1cncc2 1P0021YI [0,0,0,1,0,1|1,0,1]=4 1061 B15R2.73 CCOC(=O)c1c[nH]c2c1nccc2 1P0026XR [0,0,0,1,0,1|1,0,1]=4 1062 B15R2.73 CCOC(=O)c1csc2c1cccc2 1P00AEJZ [0,0,0,1,0,1|1,0,1]=4 1063 B15R2.73 CCOC(=O)c1n[nH]c2c1cccc2 1P003EUZ [0,0,0,1,0,1|1,0,0]=3 1064 B15R2.73 CCOC(=O)c1n[nH]c2c1ccnc2 1P0085JA [0,0,0,1,0,1|2,0,0]=4 1065 B15R2.73 CCOC(=O)c1n[nH]c2c1cncc2 1P028225 [0,0,0,1,0,1|2,0,0]=4 1066 B15R2.73 CCOC(=O)c1n[nH]c2c1nccc2 1P000L3E [0,0,0,1,0,1|2,0,0]=4 1067 B15R2.73 CCOC(=O)c1noc2c1cccc2 1P00EEQN [0,0,0,1,0,1|2,0,0]=4 1068 B15R2.73 CCOC(=O)n1nnc2c1cccc2 1P01EY1C [0,0,0,1,0,1|1,0,1]=4 1069 B15R2.2114 CCC1CNc2c(NC1=O)ccnc2 1P01EJN9 [0,0,0,1,0,1|2,0,0]=4 1070 B15R2.7340 O=C1CNC(=O)c2c(N1C)cccc2 1P0082FB [0,1,0,1,0,0|1,0,1]=4 1071 B15R2.4804 CCN1CCCC(=O)c2c1cccc2 1P01DT9K [0,1,0,1,0,0|1,0,0]=3 1072 B15R2.6124 CCn1c(C)cc(=O)c2c1cccc2 1P01KLCB [0,1,0,1,0,0|1,0,1]=4 1073 B15R2.13167 O=C1Nc2ccccc2C(=O)NC1C 1P002QBD [0,1,0,1,0,0|1,0,1]=4 1074 B15R2.17340 CCOC(=O)c1cccc2c1CNC2 1P000W1I [0,1,0,1,0,0|0,0,0]=2 1075 B15R2.17340 CCOC(=O)c1cccc2c1[nH]cc2 1P002AUJ [0,1,0,1,0,0|0,0,1]=3 1076 B15R2.17340 CCOC(=O)c1cccc2c1[nH]cn2 1P001XVF [0,1,0,1,0,0|0,0,1]=3 1077 B15R2.17340 CCOC(=O)c1cccc2c1[nH]nc2 1P0045VX [0,1,0,1,0,0|0,0,1]=3 1078 B15R2.17340 CCOC(=O)c1cccc2c1cc[nH]2 1P00DATH [0,1,0,1,0,0|1,0,1]=4 1079 B15R2.17340 CCOC(=O)c1cccc2c1cn[nH]2 1P0046BF [0,1,0,1,0,0|1,0,1]=4 1080 B15R2.17340 CCOC(=O)c1cccc2c1non2 1P01BVGK [0,1,0,1,0,0|1,0,1]=4 1081 B15R2.17340 CCOC(=O)c1nccc2c1[nH]nc2 1P01E42W [0,1,0,1,0,0|1,0,1]=4 1082 B15R2.42587 Brc1ccc2c(c1)N(C)CCNC2=O 1P025GIC [0,1,0,1,0,0|1,0,0]=3 1083 B15R2.63814 Brc1ccc2c(c1)c(=O)oc(=O)n2C 1P00BOAB [0,1,0,1,0,0|1,0,1]=4 1084 B15R2.63814 Clc1ccc2c(c1)c(=O)oc(=O)n2C 1P001L7U [0,1,0,1,0,0|1,0,1]=4 1085 B15R2.89207 COc1ccc(cc1C(=O)C2CC2)Br 1P028SYL [0,1,0,1,0,0|2,0,0]=4 1086 B15R2.89207 COc1ccc(cc1C(=O)C2CC2)F 1P028V28 [0,1,0,1,0,0|2,0,0]=4 1087 B15R2.627 CC(C1CCc2c(C1=O)cccc2)C 1P01A7GP [0,1,0,1,0,0|2,0,0]=4 1088 B15R2.20946 COc1cccc2c1C(=O)CC2(C)C 1P01DUN5 [0,1,0,1,0,0|2,0,0]=4 1089 B15R2.53147 CC(=O)Oc1cn(c2c1cccc2)C 1P00CB97 [0,1,0,1,0,0|1,0,1]=4 1090 B15R2.53147 CC(Cc1cn(c2c1cccc2)C)N 1P01E7J2 [0,1,0,1,0,0|2,0,0]=4 1091 B15R2.156784 O=C1CC(C)(C)CCc2c1cccc2 1P01BI42 [0,1,0,1,0,0|2,0,0]=4 1092 B15R2.156784 O=C1NC(C)(C)CNc2c1cccc2 1P028BCT [0,1,0,1,0,0|1,0,0]=3 1093 B15R2.2220 CNCC1CCc2c(C1=O)cccc2 1P01EPQZ [0,1,0,1,0,0|2,0,0]=4 1094 B15R2.2220 NCCN1CCc2c(C1=O)cccc2 1P01B1TV [0,1,0,1,0,0|2,0,0]=4 1095 B15R2.4778 CCN1CCc2c(C1=O)ccc(c2)Br 1P01JQCM [0,1,0,1,0,0|2,0,0]=4 1096 B15R2.7182 CC1CNc2c(C(=O)N1)ccc(c2)F 1P01A4GC [0,1,0,1,0,0|1,0,0]=3 1097 B15R2.63927 Fc1ccc2c(c1)n(C)c(=O)oc2=O 1P01C2TD [0,1,0,1,0,0|1,0,1]=4 1098 B15R2.89947 COc1cc(F)cc2c1C(=O)CCC2 1P01XD46 [0,1,0,1,0,0|2,0,0]=4 1099 B15R2.13626 Clc1cccc2c1c(=O)oc(=O)n2C 1P00C6TO [0,1,0,1,0,0|1,0,1]=4 1100 B15R3.172 O=C1[C@@H]2CC[C@@H]2Cc3c1cccc3 1P0285T8 [0,0,0,2,0,0|2,0,0]=4 1101 B15R3.3722 O=C1C2CCC(C2)c3c1cccc3 1P028GBW [0,0,0,2,0,0|2,0,0]=4 1102 B15R3.11936 O=C1c2ccccc2NCC13CC3 1P0293SU [0,0,0,2,0,0|1,0,0]=3 1103 B15R3.11936 O=C1c2ccccc2OCC13CC3 1P0283XT [0,0,0,2,0,0|2,0,0]=4 1104 B11R1.59 COC(=O)c1cc[nH]c1CC 1P00IFA8 [1,0,0,0,1,0|2,0,0]=4 1105 B11R1.59 COC(=O)c1ccsc1NC 1P023J25 [1,0,0,0,1,0|1,0,0]=3 1106 B11R1.59 COC(=O)c1sccc1OC 1P003S9J [1,0,0,0,1,0|2,0,0]=4 1107 B11R1.199 CCCC(=O)c1cscc1C 1P0284K2 [1,0,0,0,1,0|2,0,0]=4 1108 B11R1.199 CCOC(=O)c1[nH]ccc1C 1P00CB7F [1,0,0,0,1,0|1,0,0]=3 1109 B11R1.199 CCOC(=O)c1[nH]ccc1F 1P001Y9M [1,0,0,0,1,0|2,0,0]=4 1110 B11R1.199 CCOC(=O)c1[nH]ccc1N 1P0038LX [1,0,0,0,1,0|1,0,0]=3 1111 B11R1.199 CCOC(=O)c1[nH]ccc1N 1P003QNX [1,0,0,0,1,0|1,0,0]=3 1112 B11R1.199 CCOC(=O)c1[nH]ncc1C 1P00G60A [1,0,0,0,1,0|2,0,0]=4 1113 B11R1.199 CCOC(=O)c1c(N)cn[nH]1 1P009KLA [1,0,0,0,1,0|2,0,0]=4 1114 B11R1.199 CCOC(=O)c1c(N)nc[nH]1 1P0038ME [1,0,0,0,1,0|2,0,0]=4 1115 B11R1.199 CCOC(=O)c1c[nH]cc1C 1P003QRZ [1,0,0,0,1,0|1,0,0]=3 1116 B11R1.199 CCOC(=O)c1c[nH]nc1C 1P003QOU [1,0,0,0,1,0|2,0,0]=4 1117 B11R1.199 CCOC(=O)c1c[nH]nc1N 1P0035BG [1,0,0,0,1,0|2,0,0]=4 1118 B11R1.199 CCOC(=O)c1cc[nH]c1C 1P003QLK [1,0,0,0,1,0|1,0,0]=3 1119 B11R1.199 CCOC(=O)c1cc[nH]c1N 1P003AGD [1,0,0,0,1,0|1,0,0]=3 1120 B11R1.199 CCOC(=O)c1cccn1C 1P006XKT [1,0,0,0,1,0|1,0,0]=3 1121 B11R1.199 CCOC(=O)c1cccn1N 1P000HSI [1,0,0,0,1,0|1,0,0]=3 1122 B11R1.199 CCOC(=O)c1ccnn1C 1P003AR9 [1,0,0,0,1,0|2,0,0]=4 1123 B11R1.199 CCOC(=O)c1ccoc1C 1P002XJG [1,0,0,0,1,0|1,0,0]=3 1124 B11R1.199 CCOC(=O)c1ccsc1Br 1P003A7O [1,0,0,0,1,0|2,0,0]=4 1125 B11R1.199 CCOC(=O)c1ccsc1C 1P0038NZ [1,0,0,0,1,0|1,0,0]=3 1126 B11R1.199 CCOC(=O)c1ccsc1N 1P003QK5 [1,0,0,0,1,0|1,0,0]=3 1127 B11R1.199 CCOC(=O)c1cn[nH]c1N 1P0036J1 [1,0,0,0,1,0|2,0,0]=4 1128 B11R1.199 CCOC(=O)c1cncn1C 1P003QHN [1,0,0,0,1,0|2,0,0]=4 1129 B11R1.199 CCOC(=O)c1cncn1N 1P003QH3 [1,0,0,0,1,0|2,0,0]=4 1130 B11R1.199 CCOC(=O)c1cnoc1C 1P003QTJ [1,0,0,0,1,0|2,0,0]=4 1131 B11R1.199 CCOC(=O)c1cnoc1N 1P003QSW [1,0,0,0,1,0|2,0,0]=4 1132 B11R1.199 CCOC(=O)c1conc1C 1P00298Q [1,0,0,0,1,0|2,0,0]=4 1133 B11R1.199 CCOC(=O)c1conc1N 1P00B4JE [1,0,0,0,1,0|2,0,0]=4 1134 B11R1.199 CCOC(=O)c1cscc1Br 1P00I4W8 [1,0,0,0,1,0|2,0,0]=4 1135 B11R1.199 CCOC(=O)c1csnc1C 1P001QUY [1,0,0,0,1,0|2,0,0]=4 1136 B11R1.199 CCOC(=O)c1n[nH]cc1C 1P003QS4 [1,0,0,0,1,0|2,0,0]=4 1137 B11R1.199 CCOC(=O)c1n[nH]cc1N 1P003A5L [1,0,0,0,1,0|2,0,0]=4 1138 B11R1.199 CCOC(=O)c1nc[nH]c1C 1P0037LO [1,0,0,0,1,0|2,0,0]=4 1139 B11R1.199 CCOC(=O)c1nc[nH]c1N 1P008YKJ [1,0,0,0,1,0|2,0,0]=4 1140 B11R1.199 CCOC(=O)c1nccn1C 1P003QHH [1,0,0,0,1,0|2,0,0]=4 1141 B11R1.199 CCOC(=O)c1ncoc1C 1P00CKGJ [1,0,0,0,1,0|2,0,0]=4 1142 B11R1.199 CCOC(=O)c1ncsc1C 1P00EAGC [1,0,0,0,1,0|2,0,0]=4 1143 B11R1.199 CCOC(=O)c1ncsc1N 1P002I7C [1,0,0,0,1,0|2,0,0]=4 1144 B11R1.199 CCOC(=O)c1nocc1C 1P00CB82 [1,0,0,0,1,0|2,0,0]=4 1145 B11R1.199 CCOC(=O)c1nocc1N 1P027XRI [1,0,0,0,1,0|2,0,0]=4 1146 B11R1.199 CCOC(=O)c1occc1Br 1P00CMKF [1,0,0,0,1,0|2,0,0]=4 1147 B11R1.199 CCOC(=O)c1occc1C 1P01C62Z [1,0,0,0,1,0|1,0,0]=3 1148 B11R1.199 CCOC(=O)c1occc1N 1P01KWJY [1,0,0,0,1,0|1,0,0]=3 1149 B11R1.199 CCOC(=O)c1ocnc1C 1P002A70 [1,0,0,0,1,0|2,0,0]=4 1150 B11R1.199 CCOC(=O)c1sccc1N 1P007IW3 [1,0,0,0,1,0|1,0,0]=3 1151 B11R1.199 CCOC(=O)c1scnc1C 1P003A59 [1,0,0,0,1,0|2,0,0]=4 1152 B11R1.199 CCOC(=O)c1scnc1N 1P0039E7 [1,0,0,0,1,0|2,0,0]=4 1153 B15R1.768 CCOC(=O)CNc1ccccc1C#N 1P003QI0 [0,0,0,0,0,2|2,0,0]=4 1154 B15R1.768 CCOC(=O)COc1ccccc1C#N 1P00C8U4 [0,0,0,0,0,2|2,0,0]=4 1155 B15R1.768 CCOC(=O)COc1ccccc1C=O 1P003QI1 [0,0,0,0,0,2|2,0,0]=4 1156 B15R1.768 CCOC(=O)COc1ccccc1OC 1P007PBJ [0,0,0,0,0,2|1,0,0]=3 1157 B15R1.768 CCOC(=O)\C=C\c1ccccc1C#N 1P00I4VC [0,0,0,0,0,2|2,0,0]=4 1158 B15R1.768 CCOC(=O)\C=C\c1ccccc1OC 1P00BQQT [0,0,0,0,0,2|1,0,0]=3