0 B13R1.547 CCC(=O)c1ccccc1C(=O)O 1P002OBQ [0,0,0,0,0,0|4,0,0]=4 1 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1P001ZWM [0,0,0,0,0,0|3,0,1]=4 2 B13R1.547 CNC(=O)c1ccccc1B(O)O 1P00H25J [0,0,0,0,0,0|4,0,0]=4 3 B13R1.547 COC(=O)c1ccccc1B(O)O 1P003I0M [0,0,0,0,0,0|3,0,0]=3 4 B13R1.547 COC(=O)c1ccccc1C(=O)C 1P0097A7 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.547 COC(=O)c1ccccc1C(=O)Cl 1P00DD8D [0,0,0,0,0,0|3,0,0]=3 6 B13R1.547 COC(=O)c1ccccc1C(=O)N 1P00IGNZ [0,0,0,0,0,0|3,0,0]=3 7 B13R1.547 COC(=O)c1ccccc1C(=O)O 1P003SMF [0,0,0,0,0,0|3,0,0]=3 8 B13R1.547 COC(=O)c1ccccc1C(C)C 1P00IC1H [0,0,0,0,0,0|1,0,0]=1 9 B13R1.547 COC(=O)c1ccccc1N(C)C 1P00036J [0,0,0,0,0,0|0,0,0]=0 10 B13R1.547 COC(=O)c1ccccc1[C@H](N)C 1P01DTYR [0,0,0,0,0,0|2,0,0]=2 11 B13R1.547 COC(=O)c1ccccc1[N+](=O)[O-] 1P003S5L [0,0,0,0,0,0|2,0,1]=3 12 B13R1.547 COC(=O)c1cccnc1C(=O)C 1P01BVZJ [0,0,0,0,0,0|3,0,0]=3 13 B13R1.547 COC(=O)c1cccnc1C(=O)O 1P00BCRB [0,0,0,0,0,0|4,0,0]=4 14 B13R1.547 COC(=O)c1cccnc1C(F)F 1P028R3L [0,0,0,0,0,0|4,0,0]=4 15 B13R1.547 COC(=O)c1ccncc1C(=O)O 1P00BD9P [0,0,0,0,0,0|4,0,0]=4 16 B13R1.547 COC(=O)c1ccncc1[N+](=O)[O-] 1P003S9V [0,0,0,0,0,0|3,0,1]=4 17 B13R1.547 COC(=O)c1cnccc1C(=O)O 1P00C4SH [0,0,0,0,0,0|4,0,0]=4 18 B13R1.547 COC(=O)c1ncccc1C(=O)O 1P00BDOF [0,0,0,0,0,0|4,0,0]=4 19 B13R1.547 COC(=O)c1ncccc1C(Br)Br 1P0096U2 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.547 COC(=O)c1ncccc1[N+](=O)[O-] 1P0094AB [0,0,0,0,0,0|3,0,1]=4 21 B13R1.547 NNC(=O)c1ccccc1C(C)C 1P01XHVL [0,0,0,0,0,0|3,0,0]=3 22 B13R1.547 [O-]OC(=O)c1ccccc1C(=O)[O-] 1P000WJW [0,0,0,0,0,0|4,0,0]=4 23 B13R1.547 [O-]OC(=O)c1ccccc1C(=O)[O-] 1P008114 [0,0,0,0,0,0|4,0,0]=4 24 B13R1.547 [O-][N+](=O)c1ncccc1C(=O)OC 1P01K1SK [0,0,0,0,0,0|3,0,1]=4 25 B12R1.77 BrCC(=O)c1ccccc1OC 1P003H30 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.77 CCC(=O)c1ccccc1CC 1P001YD3 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.77 CNC(=O)c1ccccc1C=O 1P000EDL [1,0,0,0,0,0|3,0,0]=4 28 B12R1.77 CNC(=O)c1ccccc1CO 1P00I8AZ [1,0,0,0,0,0|3,0,0]=4 29 B12R1.77 CNC(=O)c1ccccc1NC 1P01BJ4F [1,0,0,0,0,0|1,0,0]=2 30 B12R1.77 CNC(=O)c1cccnc1OC 1P01DYYO [1,0,0,0,0,0|3,0,0]=4 31 B12R1.77 CNC(=O)c1ccncc1NC 1P028VZD [1,0,0,0,0,0|2,0,0]=3 32 B12R1.77 COC(=O)c1cccc[n+]1OC 1P01EWY0 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.77 COC(=O)c1ccccc1C#C 1P003999 [1,0,0,0,0,0|1,0,1]=3 34 B12R1.77 COC(=O)c1ccccc1C#N 1P003S4C [1,0,0,0,0,0|2,0,0]=3 35 B12R1.77 COC(=O)c1ccccc1C=C 1P00BFT9 [1,0,0,0,0,0|1,0,1]=3 36 B12R1.77 COC(=O)c1ccccc1C=O 1P003A3B [1,0,0,0,0,0|2,0,0]=3 37 B12R1.77 COC(=O)c1ccccc1CBr 1P007OKT [1,0,0,0,0,0|2,0,0]=3 38 B12R1.77 COC(=O)c1ccccc1CC 1P00DUHC [1,0,0,0,0,0|1,0,0]=2 39 B12R1.77 COC(=O)c1ccccc1CCl 1P003S48 [1,0,0,0,0,0|2,0,0]=3 40 B12R1.77 COC(=O)c1ccccc1CN 1P00G4Z9 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.77 COC(=O)c1ccccc1CS 1P01C64T [1,0,0,0,0,0|2,0,0]=3 42 B12R1.77 COC(=O)c1ccccc1NC 1P004R73 [1,0,0,0,0,0|0,0,0]=1 43 B12R1.77 COC(=O)c1ccccc1NN 1P00BEI6 [1,0,0,0,0,0|1,0,0]=2 44 B12R1.77 COC(=O)c1ccccc1OC 1P003S56 [1,0,0,0,0,0|1,0,0]=2 45 B12R1.77 COC(=O)c1ccccc1SC 1P007CSX [1,0,0,0,0,0|1,0,0]=2 46 B12R1.77 COC(=O)c1ccccc1[N+]#[C-] 1P00FAYC [1,0,0,0,0,0|0,0,2]=3 47 B12R1.77 COC(=O)c1cccnc1C#N 1P003S4D [1,0,0,0,0,0|3,0,0]=4 48 B12R1.77 COC(=O)c1cccnc1C=O 1P00BJDW [1,0,0,0,0,0|3,0,0]=4 49 B12R1.77 COC(=O)c1cccnc1CBr 1P000DX6 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.77 COC(=O)c1cccnc1CC 1P01K0MX [1,0,0,0,0,0|2,0,0]=3 51 B12R1.77 COC(=O)c1cccnc1CCl 1P002604 [1,0,0,0,0,0|3,0,0]=4 52 B12R1.77 COC(=O)c1cccnc1CN 1P00AMH7 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.77 COC(=O)c1cccnc1OC 1P003S57 [1,0,0,0,0,0|2,0,0]=3 54 B12R1.77 COC(=O)c1ccncc1C#C 1P028I88 [1,0,0,0,0,0|2,0,1]=4 55 B12R1.77 COC(=O)c1ccncc1C#N 1P007BUP [1,0,0,0,0,0|3,0,0]=4 56 B12R1.77 COC(=O)c1ccncc1C=C 1P01EMK4 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.77 COC(=O)c1ccncc1C=O 1P01KKMP [1,0,0,0,0,0|3,0,0]=4 58 B12R1.77 COC(=O)c1ccncc1CBr 1P01KKX7 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.77 COC(=O)c1cnccc1CCl 1P000HTC [1,0,0,0,0,0|3,0,0]=4 60 B12R1.77 COC(=O)c1cnccc1OC 1P0005WM [1,0,0,0,0,0|2,0,0]=3 61 B12R1.77 COC(=O)c1cnncc1NC 1P028EFR [1,0,0,0,0,0|2,0,0]=3 62 B12R1.77 COC(=O)c1ncccc1C#C 1P000PT9 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.77 COC(=O)c1ncccc1C#N 1P00DEEI [1,0,0,0,0,0|3,0,0]=4 64 B12R1.77 COC(=O)c1ncccc1C=O 1P0014TI [1,0,0,0,0,0|3,0,0]=4 65 B12R1.77 COC(=O)c1ncccc1CBr 1P000DX5 [1,0,0,0,0,0|3,0,0]=4 66 B12R1.77 COC(=O)c1ncccc1CN 1P01ECSB [1,0,0,0,0,0|3,0,0]=4 67 B12R1.77 COC(=O)c1ncccc1OC 1P00C297 [1,0,0,0,0,0|2,0,0]=3 68 B12R1.77 COC(=O)c1nccnc1OC 1P00CJWM [1,0,0,0,0,0|3,0,0]=4 69 B12R1.77 COC(=O)c1ncncc1OC 1P018I4I [1,0,0,0,0,0|3,0,0]=4 70 B12R1.77 FCC(=O)c1ccccc1OC 1P00C5J9 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.77 N#CC(=O)c1ccccc1OC 1P0067OG [1,0,0,0,0,0|3,0,0]=4 72 B12R1.77 NCC(=O)c1ccccc1CC 1P0280NB [1,0,0,0,0,0|3,0,0]=4 73 B12R1.77 NCC(=O)c1ccccc1OC 1P00CNEI [1,0,0,0,0,0|3,0,0]=4 74 B12R1.77 NCc1ncccc1C(=O)OC 1P028E5R [1,0,0,0,0,0|3,0,0]=4 75 B12R1.77 NNC(=O)c1ccccc1NC 1P00E2Z6 [1,0,0,0,0,0|2,0,0]=3 76 B12R1.77 NNC(=O)c1ccccc1NC 1P01FJKX [1,0,0,0,0,0|2,0,0]=3 77 B12R1.77 NNC(=O)c1ccccc1OC 1P003I0G [1,0,0,0,0,0|3,0,0]=4 78 B12R1.77 O=CC(=O)c1ccccc1OC 1P003I16 [1,0,0,0,0,0|3,0,0]=4 79 B12R1.77 OCC(=O)c1ccccc1OC 1P006YFY [1,0,0,0,0,0|3,0,0]=4 80 B12R1.261 CC(=O)c1ccccc1B(O)O 1P0031TX [1,0,0,0,0,0|3,0,0]=4 81 B12R1.261 CC(=O)c1ccccc1C(=O)C 1P003DTZ [1,0,0,0,0,0|2,0,0]=3 82 B12R1.261 CC(=O)c1ccccc1C(F)F 1P01DZ78 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.261 CC(=O)c1ccccc1N(C)C 1P0097HG [1,0,0,0,0,0|0,0,0]=1 84 B12R1.261 CC(=O)c1cccnc1C(=O)O 1P00FHGV [1,0,0,0,0,0|3,0,0]=4 85 B12R1.261 CC(c1ccccc1B(O)O)C 1P0040CT [1,0,0,0,0,0|2,0,1]=4 86 B12R1.261 CC(c1ccccc1C(C)C)C 1P003Q0T [1,0,0,0,0,0|2,0,1]=4 87 B12R1.261 CC(c1ccccc1C(C)C)N 1P028GZN [1,0,0,0,0,0|2,0,1]=4 88 B12R1.261 CC(c1ncncc1C(=O)O)C 1P019VM7 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.261 CN(c1ccccc1B(O)O)C 1P0041BJ [1,0,0,0,0,0|1,0,1]=3 90 B12R1.261 CN(c1ccccc1B(O)O)C 1P009Z2Z [1,0,0,0,0,0|1,0,1]=3 91 B12R1.261 CN(c1ccccc1C(N)C)C 1P01C4R8 [1,0,0,0,0,0|1,0,1]=3 92 B12R1.261 CN(c1cccnc1C(=O)O)C 1P01C2XP [1,0,0,0,0,0|1,0,0]=2 93 B12R1.261 CN(c1ccncc1C(=O)O)C 1P01A75I [1,0,0,0,0,0|1,0,0]=2 94 B12R1.261 CN(c1cnccc1C(=O)O)C 1P028HFL [1,0,0,0,0,0|1,0,0]=2 95 B12R1.261 CN(c1ncccc1C(=O)O)C 1P00GW74 [1,0,0,0,0,0|1,0,0]=2 96 B12R1.261 CN(c1ncccc1C(=O)O)C 1P00VSZF [1,0,0,0,0,0|1,0,0]=2 97 B12R1.261 CS(=O)c1ccccc1C(=O)O 1P002FEB [1,0,0,0,0,0|2,0,0]=3 98 B12R1.261 C[SiH](c1ccccc1[SiH](C)C)C 1P0027S9 [1,0,0,0,0,0|2,1,0]=4 99 B12R1.261 NC(=N)c1ccccc1C(C)C 1P028XI2 [1,0,0,0,0,0|3,0,0]=4 100 B12R1.261 O=[I](=O)c1ccccc1C(=O)O 1P0033TY [1,0,0,0,0,0|3,0,0]=4 101 B12R1.261 OC(=O)c1ccccc1B(O)O 1P001LUH [1,0,0,0,0,0|3,0,0]=4 102 B12R1.261 OC(=O)c1ccccc1B(O)O 1P01QZT8 [1,0,0,0,0,0|3,0,0]=4 103 B12R1.261 OC(=O)c1ccccc1C(=N)N 1P028BE7 [1,0,0,0,0,0|3,0,0]=4 104 B12R1.261 OC(=O)c1ccccc1C(=O)C 1P003GS2 [1,0,0,0,0,0|2,0,0]=3 105 B12R1.261 OC(=O)c1ccccc1C(=O)N 1P0045SR [1,0,0,0,0,0|3,0,0]=4 106 B12R1.261 OC(=O)c1ccccc1C(=O)O 1P0035WZ [1,0,0,0,0,0|3,0,0]=4 107 B12R1.261 OC(=O)c1ccccc1C(=O)O 1P003OD3 [1,0,0,0,0,0|3,0,0]=4 108 B12R1.261 OC(=O)c1ccccc1C(=O)[O-] 1P0035Z7 [1,0,0,0,0,0|3,0,0]=4 109 B12R1.261 OC(=O)c1ccccc1C(=O)[O-] 1P003U86 [1,0,0,0,0,0|3,0,0]=4 110 B12R1.261 OC(=O)c1ccccc1C(C)C 1P00C4V3 [1,0,0,0,0,0|1,0,0]=2 111 B12R1.261 OC(=O)c1ccccc1C(F)F 1P0054VI [1,0,0,0,0,0|3,0,0]=4 112 B12R1.261 OC(=O)c1ccccc1C(N)C 1P00FGXP [1,0,0,0,0,0|2,0,0]=3 113 B12R1.261 OC(=O)c1ccccc1N(C)C 1P002KQK [1,0,0,0,0,0|0,0,0]=1 114 B12R1.261 OC(=O)c1ccccc1N(C)C 1P003FIA [1,0,0,0,0,0|0,0,0]=1 115 B12R1.261 OC(=O)c1ccccc1[C@@H](N)C 1P024FXU [1,0,0,0,0,0|2,0,0]=3 116 B12R1.261 OC(=O)c1cccnc1C(=O)C 1P00390Q [1,0,0,0,0,0|3,0,0]=4 117 B12R1.261 OC(=O)c1cccnc1C(=O)C 1P027UQ0 [1,0,0,0,0,0|3,0,0]=4 118 B12R1.261 [O-]C(=O)c1ccccc1C(O)C 1P01C3LY [1,0,0,0,0,0|2,0,1]=4 119 B12R1.261 [O-][N+](=O)c1ccccc1C(=O)C 1P003GQT [1,0,0,0,0,0|2,0,1]=4 120 B12R1.261 [O-][N+](=O)c1ccccc1C(=O)O 1P003I94 [1,0,0,0,0,0|2,0,1]=4 121 B12R1.261 [O-][N+](=O)c1ccccc1C(C)C 1P003I98 [1,0,0,0,0,0|2,0,1]=4 122 B12R1.261 [O-][N+](=O)c1ccccc1N(C)C 1P00EDAM [1,0,0,0,0,0|1,0,1]=3 123 B12R1.283 CNCc1ccccc1C(C)C 1P028J56 [1,0,0,0,0,0|2,0,1]=4 124 B12R1.283 CNCc1ccccc1N(C)C 1P01BC3Y [1,0,0,0,0,0|1,0,1]=3 125 B12R1.283 N#CCc1ccccc1N(C)C 1P01EK84 [1,0,0,0,0,0|2,0,1]=4 126 B12R1.283 NNCc1ccccc1N(C)C 1P00G52D [1,0,0,0,0,0|2,0,1]=4 127 B14R1.623 CCOC(=O)c1ccccc1B(O)O 1P00BYX8 [0,1,0,0,0,0|3,0,0]=4 128 B14R1.623 CCOC(=O)c1ccccc1C(=O)C 1P0038PY [0,1,0,0,0,0|2,0,0]=3 129 B14R1.623 CCOC(=O)c1ccccc1N(C)C 1P00IACM [0,1,0,0,0,0|0,0,0]=1 130 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] 1P003QLO [0,1,0,0,0,0|2,0,1]=4 131 B14R1.623 CCOC(=O)c1cccnc1C(=O)C 1P00I953 [0,1,0,0,0,0|3,0,0]=4 132 B14R1.623 CCOC(=O)c1ncccc1C(C)C 1P01KLPH [0,1,0,0,0,0|2,0,0]=3 133 B14R1.707 COC(=O)c1cc(Br)ccc1C(Br)Br 1P009XGI [0,1,0,0,0,0|3,0,0]=4 134 B14R1.707 COC(=O)c1cc(Br)ccc1C(Br)C 1P001TVG [0,1,0,0,0,0|2,0,0]=3 135 B14R1.707 COC(=O)c1cc(Br)ccc1N(C)C 1P00HCYZ [0,1,0,0,0,0|0,0,0]=1 136 B14R1.707 COC(=O)c1cc(C)ccc1B(O)O 1P000OL3 [0,1,0,0,0,0|3,0,0]=4 137 B14R1.707 COC(=O)c1cc(C)ccc1[N+](=O)[O-] 1P002AV0 [0,1,0,0,0,0|2,0,1]=4 138 B14R1.707 COC(=O)c1cc(Cl)ccc1B(O)O 1P001SQ1 [0,1,0,0,0,0|3,0,0]=4 139 B14R1.707 COC(=O)c1cc(Cl)ccc1C(=O)C 1P01B1T0 [0,1,0,0,0,0|2,0,0]=3 140 B14R1.707 COC(=O)c1cc(Cl)ncc1C(=O)C 1P024VHP [0,1,0,0,0,0|3,0,0]=4 141 B14R1.707 COC(=O)c1cc(F)ccc1B(O)O 1P008FS5 [0,1,0,0,0,0|3,0,0]=4 142 B14R1.707 COC(=O)c1cc(F)ccc1C(=O)N 1P009Z9L [0,1,0,0,0,0|3,0,0]=4 143 B14R1.707 COC(=O)c1cc(F)ccc1C(Br)Br 1P01AQ4B [0,1,0,0,0,0|3,0,0]=4 144 B14R1.707 COC(=O)c1cc(O)ccc1C(=O)O 1P0281C7 [0,1,0,0,0,0|3,0,0]=4 145 B14R1.707 COC(=O)c1cc(O)ccc1C(C)C 1P028CFX [0,1,0,0,0,0|1,0,0]=2 146 B14R1.707 COC(=O)c1cc(O)ccc1N(C)C 1P01BTUE [0,1,0,0,0,0|0,0,0]=1 147 B14R1.707 [O-]C(=O)c1ccc(cc1C(=O)OC)N 1P0000ZN [0,1,0,0,0,0|3,0,0]=4 148 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)Br 1P00465L [0,1,0,0,0,0|2,0,1]=4 149 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)Cl 1P0035ON [0,1,0,0,0,0|2,0,1]=4 150 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)F 1P003SEG [0,1,0,0,0,0|2,0,1]=4 151 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)N 1P003SDP [0,1,0,0,0,0|2,0,1]=4 152 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)O 1P00EL6T [0,1,0,0,0,0|2,0,1]=4 153 B14R1.745 COC(=O)c1ccccc1C(F)(F)F 1P003S1T [0,1,0,0,0,0|3,0,0]=4 154 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)C 1P002CPH [0,1,0,0,0,0|2,0,0]=3 155 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)Cl 1P00BC8I [0,1,0,0,0,0|3,0,0]=4 156 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)F 1P01ANA9 [0,1,0,0,0,0|3,0,0]=4 157 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)N 1P0037NI [0,1,0,0,0,0|3,0,0]=4 158 B14R1.745 NCC(=O)c1ccccc1C(C)(C)C 1P01BIYO [0,1,0,0,0,0|3,0,0]=4 159 B14R1.746 CNC(=O)c1ccccc1C(=O)NC 1P00ANT8 [0,1,0,0,0,0|3,0,0]=4 160 B14R1.746 COC(=O)c1ccccc1C(=O)OC 1P000VR8 [0,1,0,0,0,0|2,0,0]=3 161 B14R1.746 COC(=O)c1cnccc1C(=O)OC 1P0027LA [0,1,0,0,0,0|3,0,0]=4 162 B14R1.746 COC(=O)c1ncccc1C(=O)OC 1P00357Z [0,1,0,0,0,0|3,0,0]=4 163 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)Cl 1P00H8KE [0,1,0,0,0,0|3,0,0]=4 164 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)F 1P004PSV [0,1,0,0,0,0|3,0,0]=4 165 B14R1.1126 COC(=O)c1ccc(cc1C(=O)O)Br 1P028RV4 [0,1,0,0,0,0|3,0,0]=4 166 B14R1.1126 COC(=O)c1ccc(cc1C(=O)O)Cl 1P027XMO [0,1,0,0,0,0|3,0,0]=4 167 B14R1.1126 COC(=O)c1ccc(cc1C(=O)O)F 1P01KKI1 [0,1,0,0,0,0|3,0,0]=4 168 B14R1.1126 COC(=O)c1ccc(cc1C(F)F)O 1P028GLX [0,1,0,0,0,0|3,0,0]=4 169 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])Br 1P001QRL [0,1,0,0,0,0|2,0,1]=4 170 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])Cl 1P00BZSY [0,1,0,0,0,0|2,0,1]=4 171 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])F 1P003SBV [0,1,0,0,0,0|2,0,1]=4 172 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])I 1P01FPEF [0,1,0,0,0,0|2,0,1]=4 173 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])N 1P00G7HA [0,1,0,0,0,0|2,0,1]=4 174 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])O 1P0026QU [0,1,0,0,0,0|2,0,1]=4 175 B14R1.1126 COC(=O)c1cnc(cc1N(C)C)Cl 1P01DEGP [0,1,0,0,0,0|1,0,0]=2 176 B14R1.1153 COC(=O)c1cccc(c1C(=O)C)O 1P028JX0 [0,1,0,0,0,0|2,0,0]=3 177 B14R1.1153 COC(=O)c1cccc(c1C(=O)O)Br 1P00IH0M [0,1,0,0,0,0|3,0,0]=4 178 B14R1.1153 COC(=O)c1cccc(c1C(=O)O)N 1P003GYJ [0,1,0,0,0,0|3,0,0]=4 179 B14R1.1153 COC(=O)c1cccc(c1[N+](=O)[O-])C 1P003S9L [0,1,0,0,0,0|2,0,1]=4 180 B14R1.1153 [O-][N+](=O)c1c(cccc1Br)C(=O)OC 1P00HAUI [0,1,0,0,0,0|2,0,1]=4 181 B14R1.1153 [O-][N+](=O)c1c(cccc1Cl)C(=O)OC 1P00C1G6 [0,1,0,0,0,0|2,0,1]=4 182 B14R1.1153 [O-][N+](=O)c1c(cccc1F)C(=O)OC 1P0015CO [0,1,0,0,0,0|2,0,1]=4 183 B14R1.1153 [O-][N+](=O)c1c(cccc1N)C(=O)OC 1P00A44Y [0,1,0,0,0,0|2,0,1]=4 184 B14R1.1153 [O-][N+](=O)c1c(cccc1O)C(=O)OC 1P0035NM [0,1,0,0,0,0|2,0,1]=4 185 B14R1.1164 COC(=O)c1c(Br)cccc1[N+](=O)[O-] 1P009J9I [0,1,0,0,0,0|2,0,1]=4 186 B14R1.1164 COC(=O)c1c(C)cccc1[N+](=O)[O-] 1P00EFNT [0,1,0,0,0,0|2,0,1]=4 187 B14R1.1164 COC(=O)c1c(Cl)cccc1[N+](=O)[O-] 1P00GB04 [0,1,0,0,0,0|2,0,1]=4 188 B14R1.1164 COC(=O)c1c(F)cccc1N(=O)=O 1P00BK4I [0,1,0,0,0,0|2,0,1]=4 189 B14R1.1164 COC(=O)c1c(N)cccc1[N+](=O)[O-] 1P003S3O [0,1,0,0,0,0|2,0,1]=4 190 B14R1.1164 COC(=O)c1c(O)cccc1[N+](=O)[O-] 1P000SA3 [0,1,0,0,0,0|2,0,1]=4 191 B14R2.4510 CN1CCCC(c2c1cccc2)N 1P01FKRU [0,0,0,1,0,0|2,0,1]=4 192 B14R2.4510 O=C1CCCC(c2c1cccc2)Br 1P01EME3 [0,0,0,1,0,0|3,0,0]=4 193 B14R2.4510 O=C1CCCN(c2c1cccc2)C 1P00CKVD [0,0,0,1,0,0|1,0,0]=2 194 B14R2.7724 O=c1c(N)cn(c2c1cccc2)C 1P01K1VG [0,0,0,1,0,0|2,0,1]=4 195 B14R2.10655 COC(=O)c1ccccc1C2CC2 1P00ATLJ [0,0,0,1,0,0|1,0,0]=2 196 B14R2.10655 COC(=O)c1cncnc1C2CC2 1P01C9H0 [0,0,0,1,0,0|3,0,0]=4 197 B14R2.24350 [O-][N+](=O)c1cccc2c1C(=O)OC2 1P019FAW [0,0,0,1,0,0|2,0,1]=4 198 B14R2.29285 O=C1CCC(c2c1cccc2)(C)C 1P00BDV8 [0,0,0,1,0,0|2,0,0]=3 199 B14R2.29285 O=C1CCC(c2c1cccn2)(C)C 1P028XPU [0,0,0,1,0,0|3,0,0]=4 200 B14R2.29285 O=C1NCC(c2c1cccc2)(C)C 1P01C4CK [0,0,0,1,0,0|2,0,0]=3 201 B14R2.29285 O=C1NC[Si](c2c1cccc2)(C)C 1P01DYPU [0,0,0,1,0,0|2,0,0]=3 202 B12R1.368 COC(=O)c1[nH]ccc1C(C)C 1P01JWEN [0,0,0,0,1,0|2,0,0]=3 203 B12R1.368 COC(=O)c1c[nH]cc1C(C)C 1P027UI2 [0,0,0,0,1,0|2,0,0]=3 204 B12R1.368 COC(=O)c1cc[nH]c1C(C)C 1P01B8QH [0,0,0,0,1,0|2,0,0]=3 205 B12R1.368 COC(=O)c1ccnn1C(C)C 1P00JFUY [0,0,0,0,1,0|3,0,0]=4 206 B12R1.368 COC(=O)c1cncn1C(C)C 1P01SKSS [0,0,0,0,1,0|3,0,0]=4 207 B12R1.368 COC(=O)c1cscc1C(C)C 1P027UON [0,0,0,0,1,0|2,0,0]=3 208 B14R1.744 COC(=O)c1ccccc1C=C(F)F 1P02878N [0,0,0,0,0,1|3,0,0]=4 209 B14R1.744 COC(=O)c1ccccc1CC(=O)O 1P001FBB [0,0,0,0,0,1|3,0,0]=4 210 B14R1.744 COC(=O)c1ccccc1CC(C)C 1P01EJ32 [0,0,0,0,0,1|1,0,0]=2 211 B14R1.744 COC(=O)c1ccccc1CN(C)C 1P003S2P [0,0,0,0,0,1|0,0,0]=1 212 B14R1.744 COC(=O)c1ccccc1NC(=O)C 1P003S2V [0,0,0,0,0,1|2,0,0]=3 213 B14R1.744 COC(=O)c1ccccc1OC(=O)C 1P003O4O [0,0,0,0,0,1|2,0,0]=3 214 B14R1.3302 CCC(=O)Nc1ccccc1C(O)C 1P01DYWX [0,0,0,0,0,1|3,0,0]=4 215 B14R1.3302 COC(=O)Cc1ccccc1C(=O)O 1P001FBA [0,0,0,0,0,1|3,0,0]=4 216 B14R1.3302 COC(=O)Cc1ccccc1[N+](=O)[O-] 1P003RZ1 [0,0,0,0,0,1|2,0,1]=4 217 B14R1.3302 COC(=O)Nc1ccccc1C(=O)O 1P01ABCJ [0,0,0,0,0,1|3,0,0]=4 218 B14R1.3302 ClCC(=O)Nc1ccccc1C(C)C 1P00ER40 [0,0,0,0,0,1|3,0,0]=4 219 B14R1.3302 NNC(=O)Nc1ccccc1C(C)C 1P027Z9E [0,0,0,0,0,1|3,0,0]=4 220 B14R1.3302 NNC(=O)Nc1ccccc1C(C)C 1P028EGW [0,0,0,0,0,1|3,0,0]=4 221 B11R1.41 CCOc1ccccc1NC 1P01A33R [2,0,0,0,0,0|2,0,0]=4 222 B11R1.53 BrCc1ccccc1C(=O)O 1P003FGO [2,0,0,0,0,0|2,0,0]=4 223 B11R1.53 C#Cc1ccccc1C(=O)C 1P0095DR [2,0,0,0,0,0|1,0,1]=4 224 B11R1.53 C#Cc1ccccc1C(=O)O 1P00C16W [2,0,0,0,0,0|1,0,1]=4 225 B11R1.53 C#Cc1ccccc1N(C)C 1P028J9R [2,0,0,0,0,0|0,0,2]=4 226 B11R1.53 C=Cc1ccccc1C(=O)C 1P00DTOA [2,0,0,0,0,0|1,0,1]=4 227 B11R1.53 CCc1ccccc1C(=O)C 1P0039TF [2,0,0,0,0,0|1,0,0]=3 228 B11R1.53 CCc1ccccc1C(=O)N 1P006JB8 [2,0,0,0,0,0|2,0,0]=4 229 B11R1.53 CCc1ccccc1C(=O)O 1P0036IN [2,0,0,0,0,0|1,0,0]=3 230 B11R1.53 CCc1ccccc1S(=O)C 1P002U15 [2,0,0,0,0,0|2,0,0]=4 231 B11R1.53 CCc1cccnc1C(=O)C 1P01A4AN [2,0,0,0,0,0|2,0,0]=4 232 B11R1.53 CCc1cccnc1C(=O)O 1P01A48I [2,0,0,0,0,0|2,0,0]=4 233 B11R1.53 CCc1ccncc1C(=O)O 1P00E364 [2,0,0,0,0,0|2,0,0]=4 234 B11R1.53 CCc1cnccc1C(=O)C 1P00CU65 [2,0,0,0,0,0|2,0,0]=4 235 B11R1.53 CCc1cnccc1C(=O)O 1P00CIEU [2,0,0,0,0,0|2,0,0]=4 236 B11R1.53 CCc1cnccc1C(=O)O 1P01A3UL [2,0,0,0,0,0|2,0,0]=4 237 B11R1.53 CCc1ncccc1C(=O)O 1P003KCW [2,0,0,0,0,0|2,0,0]=4 238 B11R1.53 CCc1ncccc1C(=O)O 1P028FW1 [2,0,0,0,0,0|2,0,0]=4 239 B11R1.53 CNc1ccccc1C(=O)C 1P00AM66 [2,0,0,0,0,0|0,0,0]=2 240 B11R1.53 CNc1ccccc1C(=O)N 1P005F2G [2,0,0,0,0,0|1,0,0]=3 241 B11R1.53 CNc1ccccc1C(=O)O 1P000PGJ [2,0,0,0,0,0|0,0,0]=2 242 B11R1.53 CNc1ccccc1C(C)C 1P01BC9V [2,0,0,0,0,0|1,0,1]=4 243 B11R1.53 CNc1ccccc1C(C)C 1P01XC41 [2,0,0,0,0,0|1,0,1]=4 244 B11R1.53 CNc1ccccc1[N+](=O)[O-] 1P00E9IB [2,0,0,0,0,0|1,0,1]=4 245 B11R1.53 CNc1cccnc1N(C)C 1P019YR3 [2,0,0,0,0,0|2,0,0]=4 246 B11R1.53 CNc1cccnc1N(C)C 1P019YYS [2,0,0,0,0,0|2,0,0]=4 247 B11R1.53 CNc1cnccc1C(=O)O 1P001E7S [2,0,0,0,0,0|1,0,0]=3 248 B11R1.53 CNc1cnncc1C(=O)O 1P028GMI [2,0,0,0,0,0|2,0,0]=4 249 B11R1.53 CNc1ncccc1C(=O)N 1P009T1Y [2,0,0,0,0,0|2,0,0]=4 250 B11R1.53 CNc1ncccc1C(=O)O 1P00C64E [2,0,0,0,0,0|1,0,0]=3 251 B11R1.53 COc1ccccc1C(=C)C 1P02495N [2,0,0,0,0,0|1,0,1]=4 252 B11R1.53 COc1ccccc1C(=O)C 1P0032QL [2,0,0,0,0,0|1,0,0]=3 253 B11R1.53 COc1ccccc1C(=O)Cl 1P003TWC [2,0,0,0,0,0|2,0,0]=4 254 B11R1.53 COc1ccccc1C(=O)N 1P003I0E [2,0,0,0,0,0|2,0,0]=4 255 B11R1.53 COc1ccccc1C(=O)O 1P0035VZ [2,0,0,0,0,0|1,0,0]=3 256 B11R1.53 COc1ccccc1C(C)C 1P002YUN [2,0,0,0,0,0|1,0,0]=3 257 B11R1.53 COc1ccccc1C(Cl)C 1P01A323 [2,0,0,0,0,0|2,0,0]=4 258 B11R1.53 COc1ccccc1C(N)C 1P003DBT [2,0,0,0,0,0|2,0,0]=4 259 B11R1.53 COc1ccccc1C(N)C 1P00ASQB [2,0,0,0,0,0|2,0,0]=4 260 B11R1.53 COc1ccccc1C(O)C 1P003DBS [2,0,0,0,0,0|2,0,0]=4 261 B11R1.53 COc1ccccc1C(S)C 1P019SPI [2,0,0,0,0,0|2,0,0]=4 262 B11R1.53 COc1ccccc1S(=O)O 1P00AJN2 [2,0,0,0,0,0|2,0,0]=4 263 B11R1.53 COc1ccccc1[C@@H](N)C 1P001500 [2,0,0,0,0,0|2,0,0]=4 264 B11R1.53 COc1ccccc1[C@@H](N)C 1P003CZC [2,0,0,0,0,0|2,0,0]=4 265 B11R1.53 COc1ccccc1[C@@H](O)C 1P008SU6 [2,0,0,0,0,0|2,0,0]=4 266 B11R1.53 COc1ccccc1[C@H](N)C 1P003CNJ [2,0,0,0,0,0|2,0,0]=4 267 B11R1.53 COc1ccccc1[C@H](N)C 1P0068LG [2,0,0,0,0,0|2,0,0]=4 268 B11R1.53 COc1ccccc1[C@H](O)C 1P0009WV [2,0,0,0,0,0|2,0,0]=4 269 B11R1.53 COc1cccnc1C(=O)C 1P00CJ7A [2,0,0,0,0,0|2,0,0]=4 270 B11R1.53 COc1cccnc1C(=O)O 1P001VJY [2,0,0,0,0,0|2,0,0]=4 271 B11R1.53 COc1ccncc1C(=O)C 1P002FW4 [2,0,0,0,0,0|2,0,0]=4 272 B11R1.53 COc1ccncc1C(=O)O 1P0005WN [2,0,0,0,0,0|2,0,0]=4 273 B11R1.53 COc1cnccc1C(=O)C 1P008I9M [2,0,0,0,0,0|2,0,0]=4 274 B11R1.53 COc1cnccc1C(=O)O 1P00347E [2,0,0,0,0,0|2,0,0]=4 275 B11R1.53 COc1ncccc1C(=O)C 1P00100M [2,0,0,0,0,0|2,0,0]=4 276 B11R1.53 COc1ncccc1C(=O)O 1P001VO2 [2,0,0,0,0,0|2,0,0]=4 277 B11R1.53 CSc1ccccc1C(=O)C 1P001JET [2,0,0,0,0,0|1,0,0]=3 278 B11R1.53 CSc1ccccc1C(=O)O 1P003FK5 [2,0,0,0,0,0|1,0,0]=3 279 B11R1.53 CSc1cccnc1C(=O)O 1P01C5LN [2,0,0,0,0,0|2,0,0]=4 280 B11R1.53 CSc1ncccc1C(=O)O 1P003FKD [2,0,0,0,0,0|2,0,0]=4 281 B11R1.53 ClCc1ccccc1C(=O)O 1P008GQF [2,0,0,0,0,0|2,0,0]=4 282 B11R1.53 ClCc1ccccc1N(C)C 1P01AL06 [2,0,0,0,0,0|1,0,1]=4 283 B11R1.53 FCc1ccccc1C(=O)O 1P01BCSG [2,0,0,0,0,0|2,0,0]=4 284 B11R1.53 N#Cc1ccccc1C(=O)C 1P00GS4B [2,0,0,0,0,0|2,0,0]=4 285 B11R1.53 N#Cc1ccccc1C(=O)O 1P0033QN [2,0,0,0,0,0|2,0,0]=4 286 B11R1.53 N#Cc1ccccc1N(C)C 1P002KLT [2,0,0,0,0,0|1,0,1]=4 287 B11R1.53 NCc1ccccc1C(=O)O 1P0001MC [2,0,0,0,0,0|2,0,0]=4 288 B11R1.53 NCc1ccccc1N(C)C 1P00EEBV [2,0,0,0,0,0|1,0,1]=4 289 B11R1.53 NCc1ccccc1N(C)C 1P01A8O9 [2,0,0,0,0,0|1,0,1]=4 290 B11R1.53 NNc1ccccc1C(=O)N 1P01BDPR [2,0,0,0,0,0|2,0,0]=4 291 B11R1.53 NNc1ccccc1C(=O)O 1P0033SQ [2,0,0,0,0,0|1,0,0]=3 292 B11R1.53 O=Cc1ccccc1C(=O)C 1P003GRZ [2,0,0,0,0,0|2,0,0]=4 293 B11R1.53 O=Cc1ccccc1C(=O)O 1P000PGK [2,0,0,0,0,0|2,0,0]=4 294 B11R1.53 O=Cc1ccccc1C(C)C 1P0037CG [2,0,0,0,0,0|1,0,0]=3 295 B11R1.53 O=Cc1ccccc1N(C)C 1P0037MA [2,0,0,0,0,0|0,0,0]=2 296 B11R1.53 O=Cc1cccnc1C(C)C 1P00KP1J [2,0,0,0,0,0|2,0,0]=4 297 B11R1.53 O=Cc1cccnc1N(C)C 1P00D2TS [2,0,0,0,0,0|1,0,0]=3 298 B11R1.53 O=Cc1ccncc1C(C)C 1P01SQR7 [2,0,0,0,0,0|2,0,0]=4 299 B11R1.53 O=Cc1cnccc1N(C)C 1P00H2Z9 [2,0,0,0,0,0|1,0,0]=3 300 B11R1.53 O=[I]c1ccccc1C(=O)O 1P0030GH [2,0,0,0,0,0|2,0,0]=4 301 B11R1.53 OCc1ccccc1N(C)C 1P00DLNK [2,0,0,0,0,0|0,0,1]=3 302 B11R1.53 OCc1cccnc1N(C)C 1P008VMG [2,0,0,0,0,0|1,0,1]=4 303 B11R1.222 BrCC(=O)c1ccccc1C 1P00DEAM [2,0,0,0,0,0|2,0,0]=4 304 B11R1.222 CCC(=O)c1ccccc1Br 1P00EK76 [2,0,0,0,0,0|2,0,0]=4 305 B11R1.222 CCC(=O)c1ccccc1C 1P0029P4 [2,0,0,0,0,0|1,0,0]=3 306 B11R1.222 CCC(=O)c1ccccc1Cl 1P00EB73 [2,0,0,0,0,0|2,0,0]=4 307 B11R1.222 CCC(=O)c1ccccc1F 1P003DB2 [2,0,0,0,0,0|2,0,0]=4 308 B11R1.222 CCC(=O)c1ccccc1N 1P000PPD [2,0,0,0,0,0|1,0,0]=3 309 B11R1.222 CCC(=O)c1ccccc1O 1P003BP5 [2,0,0,0,0,0|2,0,0]=4 310 B11R1.222 CCC(=O)c1cnccc1N 1P01A5EL [2,0,0,0,0,0|2,0,0]=4 311 B11R1.222 CCC(=O)c1cnccc1N 1P028XZG [2,0,0,0,0,0|2,0,0]=4 312 B11R1.222 CCC(=O)c1ncccc1C 1P00IHC7 [2,0,0,0,0,0|2,0,0]=4 313 B11R1.222 CCS(=O)c1ccccc1N 1P019SID [2,0,0,0,0,0|2,0,0]=4 314 B11R1.222 CNC(=O)c1ccccc1Br 1P00EAJD [2,0,0,0,0,0|2,0,0]=4 315 B11R1.222 CNC(=O)c1ccccc1Cl 1P007ICE [2,0,0,0,0,0|2,0,0]=4 316 B11R1.222 CNC(=O)c1ccccc1F 1P00DJ9S [2,0,0,0,0,0|2,0,0]=4 317 B11R1.222 CNC(=O)c1ccccc1I 1P00IASP [2,0,0,0,0,0|2,0,0]=4 318 B11R1.222 CNC(=O)c1ccccc1N 1P003H0C [2,0,0,0,0,0|1,0,0]=3 319 B11R1.222 CNC(=O)c1ccccc1O 1P00AC9J [2,0,0,0,0,0|2,0,0]=4 320 B11R1.222 CNC(=O)c1ccccc1S 1P002DAW [2,0,0,0,0,0|2,0,0]=4 321 B11R1.222 CNC(=O)c1cccnc1N 1P004VCL [2,0,0,0,0,0|2,0,0]=4 322 B11R1.222 CNC(=O)c1ccncc1N 1P01XD5J [2,0,0,0,0,0|2,0,0]=4 323 B11R1.222 CNC(=O)c1cnccc1N 1P00H57Q [2,0,0,0,0,0|2,0,0]=4 324 B11R1.222 COC(=O)c1c[nH]ccc1=O 1P00FZ4E [2,0,0,0,0,0|2,0,0]=4 325 B11R1.222 COC(=O)c1ccc[nH]c1=O 1P0004LA [2,0,0,0,0,0|2,0,0]=4 326 B11R1.222 COC(=O)c1ccc[nH]c1=S 1P005BW3 [2,0,0,0,0,0|2,0,0]=4 327 B11R1.222 COC(=O)c1ccccc1Br 1P0035MK [2,0,0,0,0,0|1,0,0]=3 328 B11R1.222 COC(=O)c1ccccc1C 1P0036QP [2,0,0,0,0,0|0,0,0]=2 329 B11R1.222 COC(=O)c1ccccc1Cl 1P003S46 [2,0,0,0,0,0|1,0,0]=3 330 B11R1.222 COC(=O)c1ccccc1F 1P00I87W [2,0,0,0,0,0|1,0,0]=3 331 B11R1.222 COC(=O)c1ccccc1I 1P0033TT [2,0,0,0,0,0|1,0,0]=3 332 B11R1.222 COC(=O)c1ccccc1N 1P0035P7 [2,0,0,0,0,0|0,0,0]=2 333 B11R1.222 COC(=O)c1ccccc1O 1P003SJ9 [2,0,0,0,0,0|1,0,0]=3 334 B11R1.222 COC(=O)c1ccccc1S 1P0035PV [2,0,0,0,0,0|1,0,0]=3 335 B11R1.222 COC(=O)c1cccnc1Br 1P00I9W4 [2,0,0,0,0,0|2,0,0]=4 336 B11R1.222 COC(=O)c1cccnc1Cl 1P003S49 [2,0,0,0,0,0|2,0,0]=4 337 B11R1.222 COC(=O)c1cccnc1F 1P00I8WP [2,0,0,0,0,0|2,0,0]=4 338 B11R1.222 COC(=O)c1cccnc1N 1P001EOQ [2,0,0,0,0,0|1,0,0]=3 339 B11R1.222 COC(=O)c1cccnc1O 1P0037A5 [2,0,0,0,0,0|2,0,0]=4 340 B11R1.222 COC(=O)c1cccoc1=O 1P002RRT [2,0,0,0,0,0|2,0,0]=4 341 B11R1.222 COC(=O)c1ccncc1Br 1P00392F [2,0,0,0,0,0|2,0,0]=4 342 B11R1.222 COC(=O)c1ccncc1C 1P000DX7 [2,0,0,0,0,0|1,0,0]=3 343 B11R1.222 COC(=O)c1ccncc1Cl 1P005W3M [2,0,0,0,0,0|2,0,0]=4 344 B11R1.222 COC(=O)c1ccncc1F 1P00H03J [2,0,0,0,0,0|2,0,0]=4 345 B11R1.222 COC(=O)c1ccncc1I 1P002HKX [2,0,0,0,0,0|2,0,0]=4 346 B11R1.222 COC(=O)c1ccncc1N 1P003423 [2,0,0,0,0,0|1,0,0]=3 347 B11R1.222 COC(=O)c1ccncc1O 1P0004LC [2,0,0,0,0,0|2,0,0]=4 348 B11R1.222 COC(=O)c1ccncc1O 1P01BFLN [2,0,0,0,0,0|2,0,0]=4 349 B11R1.222 COC(=O)c1ccnnc1N 1P000OQZ [2,0,0,0,0,0|2,0,0]=4 350 B11R1.222 COC(=O)c1cnccc1Br 1P007YLN [2,0,0,0,0,0|2,0,0]=4 351 B11R1.222 COC(=O)c1cnccc1Br 1P01DDZN [2,0,0,0,0,0|2,0,0]=4 352 B11R1.222 COC(=O)c1cnccc1Cl 1P006ZTR [2,0,0,0,0,0|2,0,0]=4 353 B11R1.222 COC(=O)c1cnccc1F 1P0015DS [2,0,0,0,0,0|2,0,0]=4 354 B11R1.222 COC(=O)c1cnccc1N 1P001SUN [2,0,0,0,0,0|1,0,0]=3 355 B11R1.222 COC(=O)c1cnccc1O 1P00FAQW [2,0,0,0,0,0|2,0,0]=4 356 B11R1.222 COC(=O)c1cnccc1S 1P028YCW [2,0,0,0,0,0|2,0,0]=4 357 B11R1.222 COC(=O)c1cncnc1C 1P00AMKM [2,0,0,0,0,0|2,0,0]=4 358 B11R1.222 COC(=O)c1cncnc1N 1P00670W [2,0,0,0,0,0|2,0,0]=4 359 B11R1.222 COC(=O)c1cnncc1N 1P028U4I [2,0,0,0,0,0|2,0,0]=4 360 B11R1.222 COC(=O)c1ncccc1Br 1P0035NC [2,0,0,0,0,0|2,0,0]=4 361 B11R1.222 COC(=O)c1ncccc1C 1P003S9R [2,0,0,0,0,0|1,0,0]=3 362 B11R1.222 COC(=O)c1ncccc1C 1P00HVC1 [2,0,0,0,0,0|1,0,0]=3 363 B11R1.222 COC(=O)c1ncccc1Cl 1P000CU1 [2,0,0,0,0,0|2,0,0]=4 364 B11R1.222 COC(=O)c1ncccc1F 1P0035NK [2,0,0,0,0,0|2,0,0]=4 365 B11R1.222 COC(=O)c1ncccc1I 1P0038X7 [2,0,0,0,0,0|2,0,0]=4 366 B11R1.222 COC(=O)c1ncccc1N 1P0035NA [2,0,0,0,0,0|1,0,0]=3 367 B11R1.222 COC(=O)c1ncccc1O 1P0037MQ [2,0,0,0,0,0|2,0,0]=4 368 B11R1.222 COC(=O)c1nccnc1N 1P001U23 [2,0,0,0,0,0|2,0,0]=4 369 B11R1.222 COC(=O)c1ncncc1C 1P021LAO [2,0,0,0,0,0|2,0,0]=4 370 B11R1.222 COC(=O)c1ncncc1N 1P01JUGJ [2,0,0,0,0,0|2,0,0]=4 371 B11R1.222 Cc1ccncc1C(=O)OC 1P00BZYE [2,0,0,0,0,0|1,0,0]=3 372 B11R1.222 Cc1ccnnc1C(=O)OC 1P01P5OJ [2,0,0,0,0,0|2,0,0]=4 373 B11R1.222 Cc1cnncc1C(=O)OC 1P00127C [2,0,0,0,0,0|2,0,0]=4 374 B11R1.222 Cc1ncccc1C(=O)OC 1P003S5I [2,0,0,0,0,0|1,0,0]=3 375 B11R1.222 Cc1nccnc1C(=O)OC 1P00C7EX [2,0,0,0,0,0|2,0,0]=4 376 B11R1.222 FCC(=O)c1ccccc1C 1P01DW8K [2,0,0,0,0,0|2,0,0]=4 377 B11R1.222 N#CC(=O)c1ccccc1C 1P00EA75 [2,0,0,0,0,0|2,0,0]=4 378 B11R1.222 NCC(=O)c1ccccc1C 1P00FC2T [2,0,0,0,0,0|2,0,0]=4 379 B11R1.222 NNC(=O)c1ccccc1C 1P008QFS [2,0,0,0,0,0|2,0,0]=4 380 B11R1.222 NNC(=O)c1ccccc1N 1P002F0J [2,0,0,0,0,0|2,0,0]=4 381 B11R1.222 O=CC(=O)c1ccccc1C 1P00EJ1Q [2,0,0,0,0,0|2,0,0]=4 382 B11R1.222 O=CC(=O)c1ccccc1C 1P01XC2I [2,0,0,0,0,0|2,0,0]=4 383 B13R1.89 COc1ccccc1C(=O)N(C)C 1P00604X [1,1,0,0,0,0|2,0,0]=4 384 B13R1.107 COC(=O)c1cccc(c1C#N)Br 1P000SEF [1,1,0,0,0,0|2,0,0]=4 385 B13R1.107 COC(=O)c1cccc(c1C#N)C 1P00DLST [1,1,0,0,0,0|2,0,0]=4 386 B13R1.107 COC(=O)c1cccc(c1C#N)F 1P000S8G [1,1,0,0,0,0|2,0,0]=4 387 B13R1.107 COC(=O)c1cccc(c1C=O)F 1P01BO3F [1,1,0,0,0,0|2,0,0]=4 388 B13R1.107 COC(=O)c1cccc(c1C=O)O 1P000ZSG [1,1,0,0,0,0|2,0,0]=4 389 B13R1.107 COC(=O)c1cccc(c1CBr)Br 1P00C6NM [1,1,0,0,0,0|2,0,0]=4 390 B13R1.107 COC(=O)c1cccc(c1CBr)Cl 1P002H76 [1,1,0,0,0,0|2,0,0]=4 391 B13R1.107 COC(=O)c1cccc(c1CBr)F 1P009KD0 [1,1,0,0,0,0|2,0,0]=4 392 B13R1.107 COC(=O)c1cccc(c1CC)C 1P028SBJ [1,1,0,0,0,0|1,0,0]=3 393 B13R1.107 COC(=O)c1cccc(c1CC)O 1P0024UM [1,1,0,0,0,0|1,0,0]=3 394 B13R1.107 COC(=O)c1cccc(c1NC)N 1P01C9FP [1,1,0,0,0,0|0,0,0]=2 395 B13R1.107 COC(=O)c1cccc(c1OC)Br 1P002S24 [1,1,0,0,0,0|1,0,0]=3 396 B13R1.107 COC(=O)c1cccc(c1OC)Cl 1P00IHVX [1,1,0,0,0,0|1,0,0]=3 397 B13R1.107 COC(=O)c1cccc(c1OC)N 1P0092XI [1,1,0,0,0,0|1,0,0]=3 398 B13R1.107 COC(=O)c1cccc(c1OC)N 1P00DK8S [1,1,0,0,0,0|1,0,0]=3 399 B13R1.107 COC(=O)c1cccc(c1OC)O 1P0039CJ [1,1,0,0,0,0|1,0,0]=3 400 B13R1.107 COC(=O)c1ccnc(c1OC)C 1P024VOR [1,1,0,0,0,0|2,0,0]=4 401 B13R1.107 COC(=O)c1ccnc(c1OC)Cl 1P009I4H [1,1,0,0,0,0|2,0,0]=4 402 B13R1.107 COC(=O)c1ccnc(c1OC)O 1P01JRRP [1,1,0,0,0,0|2,0,0]=4 403 B13R1.382 BrCCc1ccccc1C(=O)OC 1P002QYE [1,1,0,0,0,0|1,0,0]=3 404 B13R1.382 C=COc1ccccc1C(=O)OC 1P01BGN5 [1,1,0,0,0,0|1,0,1]=4 405 B13R1.382 CCNc1ccccc1C(=O)OC 1P01AJCA [1,1,0,0,0,0|0,0,0]=2 406 B13R1.382 CCOc1ccccc1C(=O)NC 1P01EM6U [1,1,0,0,0,0|2,0,0]=4 407 B13R1.382 CCOc1ccccc1C(=O)OC 1P003S4F [1,1,0,0,0,0|1,0,0]=3 408 B13R1.382 CNCc1ccccc1C(=O)OC 1P01AJF6 [1,1,0,0,0,0|0,0,0]=2 409 B13R1.382 ClCCc1ccccc1C(=O)OC 1P01ADLB [1,1,0,0,0,0|1,0,0]=3 410 B13R1.382 N#CCc1ccccc1C(=O)OC 1P003HL3 [1,1,0,0,0,0|1,0,1]=4 411 B13R1.382 NCCc1ccccc1C(=O)OC 1P00970D [1,1,0,0,0,0|1,0,0]=3 412 B13R1.382 O=C=Nc1ccccc1C(=O)OC 1P0027DY [1,1,0,0,0,0|0,0,2]=4 413 B13R1.382 O=CNc1ccccc1C(=O)OC 1P003SI0 [1,1,0,0,0,0|0,0,1]=3 414 B13R1.382 S=C=Nc1ccccc1C(=O)OC 1P001S9E [1,1,0,0,0,0|0,0,2]=4 415 B13R1.382 [N-]=[N+]=Nc1ccccc1C(=O)OC 1P001XMY [1,1,0,0,0,0|1,0,1]=4 416 B13R1.464 CCOC(=O)c1ccccc1C#N 1P00EGC9 [1,1,0,0,0,0|2,0,0]=4 417 B13R1.464 CCOC(=O)c1ccccc1C=C 1P00BYNX [1,1,0,0,0,0|1,0,1]=4 418 B13R1.464 CCOC(=O)c1ccccc1C=O 1P00I76W [1,1,0,0,0,0|2,0,0]=4 419 B13R1.464 CCOC(=O)c1ccccc1CBr 1P005L5N [1,1,0,0,0,0|2,0,0]=4 420 B13R1.464 CCOC(=O)c1ccccc1CCl 1P00HYKI [1,1,0,0,0,0|2,0,0]=4 421 B13R1.464 CCOC(=O)c1ccccc1NC 1P00CJ7M [1,1,0,0,0,0|0,0,0]=2 422 B13R1.464 CCOC(=O)c1ccccc1NC 1P028EAO [1,1,0,0,0,0|0,0,0]=2 423 B13R1.464 CCOC(=O)c1ccccc1OC 1P003QL8 [1,1,0,0,0,0|1,0,0]=3 424 B13R1.464 CCOC(=O)c1cccnc1NC 1P019U2D [1,1,0,0,0,0|1,0,0]=3 425 B13R1.464 CCOC(=O)c1cccnc1NN 1P002Y7C [1,1,0,0,0,0|2,0,0]=4 426 B13R1.2065 CCC(=O)c1ccc(cc1OC)Cl 1P01DMYL [1,1,0,0,0,0|2,0,0]=4 427 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 1P01DTOF [1,1,0,0,0,0|2,0,0]=4 428 B13R1.2065 COC(=O)c1ccc(cc1C#C)Br 1P028X0B [1,1,0,0,0,0|1,0,1]=4 429 B13R1.2065 COC(=O)c1ccc(cc1C#C)C 1P028HV3 [1,1,0,0,0,0|1,0,1]=4 430 B13R1.2065 COC(=O)c1ccc(cc1C#C)Cl 1P028X1O [1,1,0,0,0,0|1,0,1]=4 431 B13R1.2065 COC(=O)c1ccc(cc1C#C)F 1P027U2Y [1,1,0,0,0,0|1,0,1]=4 432 B13R1.2065 COC(=O)c1ccc(cc1C#N)Br 1P0017KZ [1,1,0,0,0,0|2,0,0]=4 433 B13R1.2065 COC(=O)c1ccc(cc1C#N)C 1P009Z48 [1,1,0,0,0,0|2,0,0]=4 434 B13R1.2065 COC(=O)c1ccc(cc1C#N)Cl 1P00E9OH [1,1,0,0,0,0|2,0,0]=4 435 B13R1.2065 COC(=O)c1ccc(cc1C#N)F 1P000XL5 [1,1,0,0,0,0|2,0,0]=4 436 B13R1.2065 COC(=O)c1ccc(cc1C#N)N 1P001TXH [1,1,0,0,0,0|2,0,0]=4 437 B13R1.2065 COC(=O)c1ccc(cc1C#N)O 1P000SJV [1,1,0,0,0,0|2,0,0]=4 438 B13R1.2065 COC(=O)c1ccc(cc1C=O)Br 1P01AGFR [1,1,0,0,0,0|2,0,0]=4 439 B13R1.2065 COC(=O)c1ccc(cc1C=O)Cl 1P01A54M [1,1,0,0,0,0|2,0,0]=4 440 B13R1.2065 COC(=O)c1ccc(cc1C=O)F 1P01BUE3 [1,1,0,0,0,0|2,0,0]=4 441 B13R1.2065 COC(=O)c1ccc(cc1C=O)O 1P01C2BS [1,1,0,0,0,0|2,0,0]=4 442 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br 1P008N2J [1,1,0,0,0,0|2,0,0]=4 443 B13R1.2065 COC(=O)c1ccc(cc1CBr)C 1P00IBGR [1,1,0,0,0,0|2,0,0]=4 444 B13R1.2065 COC(=O)c1ccc(cc1CBr)Cl 1P001DYG [1,1,0,0,0,0|2,0,0]=4 445 B13R1.2065 COC(=O)c1ccc(cc1CBr)F 1P001Q2M [1,1,0,0,0,0|2,0,0]=4 446 B13R1.2065 COC(=O)c1ccc(cc1CC)N 1P01FM0H [1,1,0,0,0,0|1,0,0]=3 447 B13R1.2065 COC(=O)c1ccc(cc1CN)F 1P027UC0 [1,1,0,0,0,0|2,0,0]=4 448 B13R1.2065 COC(=O)c1ccc(cc1NC)Br 1P0220QE [1,1,0,0,0,0|0,0,0]=2 449 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 1P001AQ6 [1,1,0,0,0,0|1,0,0]=3 450 B13R1.2065 COC(=O)c1ccc(cc1OC)C 1P0055C0 [1,1,0,0,0,0|1,0,0]=3 451 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 1P008NTS [1,1,0,0,0,0|1,0,0]=3 452 B13R1.2065 COC(=O)c1ccc(cc1OC)F 1P002A4R [1,1,0,0,0,0|1,0,0]=3 453 B13R1.2065 COC(=O)c1ccc(cc1OC)I 1P001LF3 [1,1,0,0,0,0|1,0,0]=3 454 B13R1.2065 COC(=O)c1ccc(cc1OC)N 1P002UEB [1,1,0,0,0,0|1,0,0]=3 455 B13R1.2065 COC(=O)c1ccc(cc1OC)O 1P002VX9 [1,1,0,0,0,0|1,0,0]=3 456 B13R1.2065 COC(=O)c1ccc(cc1SC)Br 1P01DIID [1,1,0,0,0,0|1,0,0]=3 457 B13R1.2065 COC(=O)c1ccc(nc1OC)Br 1P0003TD [1,1,0,0,0,0|2,0,0]=4 458 B13R1.2065 COC(=O)c1ccc(nc1OC)C 1P00A17T [1,1,0,0,0,0|2,0,0]=4 459 B13R1.2065 COC(=O)c1ccc(nc1OC)Cl 1P006QDZ [1,1,0,0,0,0|2,0,0]=4 460 B13R1.2065 COC(=O)c1ccc(nc1OC)N 1P001M9C [1,1,0,0,0,0|2,0,0]=4 461 B13R1.2065 COC(=O)c1cnc(cc1NC)F 1P01JL4M [1,1,0,0,0,0|1,0,0]=3 462 B13R1.2065 COC(=O)c1cnc(cc1OC)C 1P01EI9M [1,1,0,0,0,0|2,0,0]=4 463 B13R1.2065 COC(=O)c1cnc(cc1OC)Cl 1P00G7H0 [1,1,0,0,0,0|2,0,0]=4 464 B13R1.2065 COC(=O)c1cnc(cc1OC)N 1P0292RE [1,1,0,0,0,0|2,0,0]=4 465 B13R1.2065 COC(=O)c1ncc(cc1NC)Br 1P021WJO [1,1,0,0,0,0|1,0,0]=3 466 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 1P000BBA [1,1,0,0,0,0|2,0,0]=4 467 B13R1.2129 CNc1ccccc1S(=O)(=O)CC 1P019TQZ [1,1,0,0,0,0|2,0,0]=4 468 B13R1.2209 CCC(=O)c1cc(C)ccc1OC 1P01A4US [1,1,0,0,0,0|2,0,0]=4 469 B13R1.2209 CCC(=O)c1cc(Cl)ccc1OC 1P005PPR [1,1,0,0,0,0|2,0,0]=4 470 B13R1.2209 CCC(=O)c1cc(F)ccc1OC 1P01EX9G [1,1,0,0,0,0|2,0,0]=4 471 B13R1.2209 COC(=O)c1cc(Br)ccc1C#N 1P0068PZ [1,1,0,0,0,0|2,0,0]=4 472 B13R1.2209 COC(=O)c1cc(Br)ccc1C=O 1P0005FS [1,1,0,0,0,0|2,0,0]=4 473 B13R1.2209 COC(=O)c1cc(Br)ccc1CBr 1P0036X0 [1,1,0,0,0,0|2,0,0]=4 474 B13R1.2209 COC(=O)c1cc(Br)ccc1CC 1P00DQ9K [1,1,0,0,0,0|1,0,0]=3 475 B13R1.2209 COC(=O)c1cc(Br)ccc1CN 1P001UWE [1,1,0,0,0,0|2,0,0]=4 476 B13R1.2209 COC(=O)c1cc(Br)ccc1NC 1P00C6JC [1,1,0,0,0,0|0,0,0]=2 477 B13R1.2209 COC(=O)c1cc(Br)ccc1OC 1P00371Z [1,1,0,0,0,0|1,0,0]=3 478 B13R1.2209 COC(=O)c1cc(Br)ccc1SC 1P006KTJ [1,1,0,0,0,0|1,0,0]=3 479 B13R1.2209 COC(=O)c1cc(Br)cnc1OC 1P0017OL [1,1,0,0,0,0|2,0,0]=4 480 B13R1.2209 COC(=O)c1cc(C)ccc1C#C 1P028QNN [1,1,0,0,0,0|1,0,1]=4 481 B13R1.2209 COC(=O)c1cc(C)ccc1C#N 1P009Z8P [1,1,0,0,0,0|2,0,0]=4 482 B13R1.2209 COC(=O)c1cc(C)ccc1CC 1P028YSP [1,1,0,0,0,0|1,0,0]=3 483 B13R1.2209 COC(=O)c1cc(C)ccc1NC 1P00DLHF [1,1,0,0,0,0|0,0,0]=2 484 B13R1.2209 COC(=O)c1cc(C)ccc1OC 1P003S51 [1,1,0,0,0,0|1,0,0]=3 485 B13R1.2209 COC(=O)c1cc(Cl)ccc1C#C 1P01R294 [1,1,0,0,0,0|1,0,1]=4 486 B13R1.2209 COC(=O)c1cc(Cl)ccc1C#N 1P0073CC [1,1,0,0,0,0|2,0,0]=4 487 B13R1.2209 COC(=O)c1cc(Cl)ccc1C=O 1P008UZP [1,1,0,0,0,0|2,0,0]=4 488 B13R1.2209 COC(=O)c1cc(Cl)ccc1CBr 1P00FEFY [1,1,0,0,0,0|2,0,0]=4 489 B13R1.2209 COC(=O)c1cc(Cl)ccc1NC 1P00DMJP [1,1,0,0,0,0|0,0,0]=2 490 B13R1.2209 COC(=O)c1cc(Cl)ccc1NN 1P000S3R [1,1,0,0,0,0|1,0,0]=3 491 B13R1.2209 COC(=O)c1cc(Cl)ccc1OC 1P003SE9 [1,1,0,0,0,0|1,0,0]=3 492 B13R1.2209 COC(=O)c1cc(Cl)cnc1OC 1P00G5M1 [1,1,0,0,0,0|2,0,0]=4 493 B13R1.2209 COC(=O)c1cc(F)ccc1C#N 1P00ELTY [1,1,0,0,0,0|2,0,0]=4 494 B13R1.2209 COC(=O)c1cc(F)ccc1C=O 1P00930P [1,1,0,0,0,0|2,0,0]=4 495 B13R1.2209 COC(=O)c1cc(F)ccc1CBr 1P001A0R [1,1,0,0,0,0|2,0,0]=4 496 B13R1.2209 COC(=O)c1cc(F)ccc1NC 1P00IHM7 [1,1,0,0,0,0|0,0,0]=2 497 B13R1.2209 COC(=O)c1cc(F)ccc1OC 1P00ACCK [1,1,0,0,0,0|1,0,0]=3 498 B13R1.2209 COC(=O)c1cc(F)cnc1OC 1P0017OI [1,1,0,0,0,0|2,0,0]=4 499 B13R1.2209 COC(=O)c1cc(I)ccc1C#N 1P01QSWV [1,1,0,0,0,0|2,0,0]=4 500 B13R1.2209 COC(=O)c1cc(I)ccc1CBr 1P01KKFH [1,1,0,0,0,0|2,0,0]=4 501 B13R1.2209 COC(=O)c1cc(I)ccc1OC 1P00CI6Q [1,1,0,0,0,0|1,0,0]=3 502 B13R1.2209 COC(=O)c1cc(N)ccc1C#N 1P00IIYU [1,1,0,0,0,0|2,0,0]=4 503 B13R1.2209 COC(=O)c1cc(N)ccc1OC 1P006WXK [1,1,0,0,0,0|1,0,0]=3 504 B13R1.2209 COC(=O)c1cc(N)ccc1SC 1P00AVOC [1,1,0,0,0,0|1,0,0]=3 505 B13R1.2209 COC(=O)c1cc(N)cnc1OC 1P0017OJ [1,1,0,0,0,0|2,0,0]=4 506 B13R1.2209 COC(=O)c1cc(N)cnc1OC 1P0287IO [1,1,0,0,0,0|2,0,0]=4 507 B13R1.2209 COC(=O)c1cc(O)ccc1C=O 1P01DWDY [1,1,0,0,0,0|2,0,0]=4 508 B13R1.2209 COC(=O)c1cc(O)cnc1OC 1P01DLD8 [1,1,0,0,0,0|2,0,0]=4 509 B13R1.2209 COC(=O)c1nc(Br)ccc1OC 1P00H691 [1,1,0,0,0,0|2,0,0]=4 510 B13R1.2209 COC(=O)c1nc(Br)cnc1NC 1P00HTT2 [1,1,0,0,0,0|2,0,0]=4 511 B13R1.2209 COC(=O)c1nc(C)ccc1NC 1P01KKIO [1,1,0,0,0,0|1,0,0]=3 512 B13R1.2209 COC(=O)c1nc(Cl)ccc1OC 1P01DJJX [1,1,0,0,0,0|2,0,0]=4 513 B13R1.2357 COC(=O)c1c(Br)cccc1C#N 1P000SIB [1,1,0,0,0,0|2,0,0]=4 514 B13R1.2357 COC(=O)c1c(Br)cccc1CBr 1P00G497 [1,1,0,0,0,0|2,0,0]=4 515 B13R1.2357 COC(=O)c1c(Br)cccc1OC 1P00C1G5 [1,1,0,0,0,0|1,0,0]=3 516 B13R1.2357 COC(=O)c1c(C)cccc1C#N 1P000XME [1,1,0,0,0,0|2,0,0]=4 517 B13R1.2357 COC(=O)c1c(C)cccc1NC 1P027UED [1,1,0,0,0,0|0,0,0]=2 518 B13R1.2357 COC(=O)c1c(C)cccc1OC 1P0059BZ [1,1,0,0,0,0|1,0,0]=3 519 B13R1.2357 COC(=O)c1c(Cl)cccc1C#C 1P0280NL [1,1,0,0,0,0|1,0,1]=4 520 B13R1.2357 COC(=O)c1c(Cl)cccc1C#N 1P01KKO1 [1,1,0,0,0,0|2,0,0]=4 521 B13R1.2357 COC(=O)c1c(Cl)cccc1CBr 1P006XF1 [1,1,0,0,0,0|2,0,0]=4 522 B13R1.2357 COC(=O)c1c(Cl)cccc1NC 1P009WNA [1,1,0,0,0,0|0,0,0]=2 523 B13R1.2357 COC(=O)c1c(Cl)cccc1OC 1P00H1IT [1,1,0,0,0,0|1,0,0]=3 524 B13R1.2357 COC(=O)c1c(Cl)ccnc1OC 1P000OXC [1,1,0,0,0,0|2,0,0]=4 525 B13R1.2357 COC(=O)c1c(F)cccc1C#C 1P028GWD [1,1,0,0,0,0|1,0,1]=4 526 B13R1.2357 COC(=O)c1c(F)cccc1C#N 1P00EGCB [1,1,0,0,0,0|2,0,0]=4 527 B13R1.2357 COC(=O)c1c(F)cccc1C=O 1P01KLPV [1,1,0,0,0,0|2,0,0]=4 528 B13R1.2357 COC(=O)c1c(F)cccc1CBr 1P00AO2L [1,1,0,0,0,0|2,0,0]=4 529 B13R1.2357 COC(=O)c1c(F)cccc1NN 1P01B99K [1,1,0,0,0,0|1,0,0]=3 530 B13R1.2357 COC(=O)c1c(F)cccc1OC 1P0026R1 [1,1,0,0,0,0|1,0,0]=3 531 B13R1.2357 COC(=O)c1c(I)cccc1CBr 1P004TZK [1,1,0,0,0,0|2,0,0]=4 532 B13R1.2357 COC(=O)c1c(N)cccc1C#N 1P000FJ8 [1,1,0,0,0,0|2,0,0]=4 533 B13R1.2357 COC(=O)c1c(N)cccc1OC 1P003859 [1,1,0,0,0,0|1,0,0]=3 534 B13R1.2357 COC(=O)c1c(N)cccc1OC 1P01FSKE [1,1,0,0,0,0|1,0,0]=3 535 B13R1.2357 COC(=O)c1c(N)cncc1OC 1P005CPX [1,1,0,0,0,0|2,0,0]=4 536 B13R1.2357 COC(=O)c1c(O)cccc1C=O 1P028WZJ [1,1,0,0,0,0|2,0,0]=4 537 B13R1.2357 COC(=O)c1c(O)cccc1OC 1P007PVZ [1,1,0,0,0,0|1,0,0]=3 538 B13R1.2357 COC(=O)c1c(O)ccnc1OC 1P000IIA [1,1,0,0,0,0|2,0,0]=4 539 B13R1.2357 COC(=O)c1c(OC)cc[nH]c1=O 1P021UIW [1,1,0,0,0,0|2,0,0]=4 540 B13R1.2357 COC(=O)c1c(OC)ccnc1Cl 1P00C002 [1,1,0,0,0,0|2,0,0]=4 541 B13R1.165 Brc1ccc(c(c1)C(=O)O)C(C)C 1P027XUC [1,1,0,0,0,0|1,0,0]=3 542 B13R1.165 Brc1ccc(c(c1)N(C)C)C(=O)O 1P019XR9 [1,1,0,0,0,0|0,0,0]=2 543 B13R1.165 Brc1ccc(c(c1)N(C)C)C(=O)O 1P01ELN4 [1,1,0,0,0,0|0,0,0]=2 544 B13R1.165 Brc1ccc(c(c1)[N+](=O)[O-])N(C)C 1P008L6U [1,1,0,0,0,0|1,0,1]=4 545 B13R1.165 Brc1ncc(c(c1)C(=O)O)N(C)C 1P028GMS [1,1,0,0,0,0|1,0,0]=3 546 B13R1.165 CC(c1ccc(nc1C(=O)O)Cl)C 1P0282E6 [1,1,0,0,0,0|2,0,0]=4 547 B13R1.165 CC(c1nc(C)ccc1C(=O)O)C 1P01C1VC [1,1,0,0,0,0|2,0,0]=4 548 B13R1.165 CN(c1ncc(cc1C(=O)O)Br)C 1P01AILJ [1,1,0,0,0,0|1,0,0]=3 549 B13R1.165 Cc1ccc(c(c1)C(=O)O)C(=O)C 1P028CNW [1,1,0,0,0,0|2,0,0]=4 550 B13R1.165 Cc1ccc(c(c1)C(=O)O)C(C)C 1P00DLJQ [1,1,0,0,0,0|1,0,0]=3 551 B13R1.165 Cc1ccc(c(c1)C(C)C)C(=O)O 1P027XHM [1,1,0,0,0,0|1,0,0]=3 552 B13R1.165 Clc1ccc(c(c1)C(=O)O)C(C)C 1P01DTTO [1,1,0,0,0,0|1,0,0]=3 553 B13R1.165 Fc1ccc(c(c1)C(=O)C)C(=O)O 1P028N80 [1,1,0,0,0,0|2,0,0]=4 554 B13R1.165 Fc1ccc(c(c1)C(=O)O)C(=O)C 1P02860T [1,1,0,0,0,0|2,0,0]=4 555 B13R1.165 Fc1ccc(c(c1)C(=O)O)C(C)C 1P020ET4 [1,1,0,0,0,0|1,0,0]=3 556 B13R1.165 Fc1ccc(c(c1)C(C)C)C(=O)O 1P020FYV [1,1,0,0,0,0|1,0,0]=3 557 B13R1.165 Fc1ccc(c(c1)C(N)C)N(C)C 1P01AHU2 [1,1,0,0,0,0|1,0,1]=4 558 B13R1.165 Fc1ccc(c(c1)N(C)C)C(=O)C 1P01A06L [1,1,0,0,0,0|0,0,0]=2 559 B13R1.165 Fc1ccc(c(c1)[N+](=O)[O-])N(C)C 1P006AWH [1,1,0,0,0,0|1,0,1]=4 560 B13R1.165 Nc1ccc(c(c1)C(=O)N)N(C)C 1P009EBJ [1,1,0,0,0,0|1,0,0]=3 561 B13R1.165 Oc1ccc(c(c1)C(=O)O)C(C)C 1P0290CZ [1,1,0,0,0,0|1,0,0]=3 562 B13R1.165 Oc1ccc(c(c1)C(C)C)C(=O)O 1P009YKP [1,1,0,0,0,0|1,0,0]=3 563 B13R1.295 CC(c1c(F)cccc1C(=O)O)C 1P028VT9 [1,1,0,0,0,0|1,0,0]=3 564 B13R1.295 CC(c1cccc(c1C(=O)O)C)C 1P028JHO [1,1,0,0,0,0|1,0,0]=3 565 B13R1.295 CC(c1cccc(c1C(=O)O)F)C 1P0281CL [1,1,0,0,0,0|1,0,0]=3 566 B13R1.295 CN(c1cccc(c1C(=O)N)F)C 1P01KKPH [1,1,0,0,0,0|1,0,0]=3 567 B13R1.295 CN(c1cccc(c1C(N)C)F)C 1P028K1L [1,1,0,0,0,0|1,0,1]=4 568 B13R1.295 CN(c1cccc(c1C(O)C)F)C 1P01AKPK [1,1,0,0,0,0|0,0,2]=4 569 B13R1.295 CN(c1cccc(c1[N+](=O)[O-])Br)C 1P01JZPD [1,1,0,0,0,0|1,0,1]=4 570 B13R1.349 CC(=O)c1ccccc1C(C)(C)C 1P01A2UW [1,1,0,0,0,0|1,0,0]=3 571 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)C 1P01ABAU [1,1,0,0,0,0|2,0,0]=4 572 B13R1.349 ClC(=O)c1ccccc1C(C)(C)C 1P00APZQ [1,1,0,0,0,0|2,0,0]=4 573 B13R1.349 OC(=O)c1ccccc1C(C)(C)C 1P007EAP [1,1,0,0,0,0|1,0,0]=3 574 B13R1.349 OC(=O)c1ccccc1C(F)(F)C 1P01DX9F [1,1,0,0,0,0|2,0,0]=4 575 B13R1.349 OC(=O)c1ccccc1P(=O)(C)C 1P021MKS [1,1,0,0,0,0|0,1,0]=3 576 B13R1.349 OC(=O)c1ccccc1P(=O)(O)C 1P01B2LS [1,1,0,0,0,0|1,1,0]=4 577 B13R1.349 OC(=O)c1ccccc1S(=O)(=O)C 1P003FJW [1,1,0,0,0,0|2,0,0]=4 578 B13R1.349 OC(=O)c1cnccc1C(C)(C)C 1P01C29Q [1,1,0,0,0,0|2,0,0]=4 579 B13R1.349 OC(=O)c1ncccc1C(C)(C)C 1P01C5M6 [1,1,0,0,0,0|2,0,0]=4 580 B13R1.349 OC(=O)c1ncccc1C(C)(C)C 1P028N6T [1,1,0,0,0,0|2,0,0]=4 581 B13R1.572 OCCCc1ccccc1N(C)C 1P028WRZ [1,1,0,0,0,0|1,0,1]=4 582 B13R1.541 COC(=O)c1sc(cc1C(C)C)N 1P01DWNR [0,1,0,0,1,0|2,0,0]=4 583 B15R1.810 CCOC(=O)c1ccccc1OC(=O)C 1P003QJI [0,1,0,0,0,1|2,0,0]=4 584 B15R1.925 COC(=O)c1cc(Br)ccc1NC(=O)C 1P001A3M [0,1,0,0,0,1|2,0,0]=4 585 B15R1.925 COC(=O)c1cc(Cl)ccc1NC(=O)C 1P002J4K [0,1,0,0,0,1|2,0,0]=4 586 B15R1.3847 BrCC(=O)Nc1ccccc1C(=O)OC 1P00IB0P [0,1,0,0,0,1|2,0,0]=4 587 B15R1.3847 COC(=O)Cc1ccccc1C(=O)OC 1P005RVU [0,1,0,0,0,1|2,0,0]=4 588 B15R1.3847 ClCC(=O)Nc1ccccc1C(=O)OC 1P00EEIV [0,1,0,0,0,1|2,0,0]=4 589 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)N 1P019FG9 [0,1,0,0,0,1|1,0,0]=3 590 B15R1.11677 COC(=O)c1cnc(cc1NC(C)C)F 1P01JL5E [0,1,0,0,0,1|2,0,0]=4 591 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)N 1P01B8D5 [0,1,0,0,0,1|1,0,0]=3 592 B15R1.1274 CCOC(=O)Nc1ccccc1C(=O)C 1P00IBBP [0,1,0,0,0,1|2,0,0]=4 593 B15R1.1274 ClCCC(=O)Nc1ccccc1C(C)C 1P00DDL4 [0,1,0,0,0,1|2,0,0]=4 594 B15R1.8875 CC(C(=O)Nc1ccccc1C(C)C)Cl 1P019PUL [0,1,0,0,0,1|2,0,0]=4 595 B15R1.13377 COC(=O)Cc1cccc(c1C(=O)C)O 1P0288KK [0,1,0,0,0,1|2,0,0]=4 596 B15R1.11752 COC(=O)c1ccccc1S(=O)(=O)NC 1P01B1WN [0,2,0,0,0,0|2,0,0]=4 597 B15R1.986 COC(=O)c1ncccc1C(OC)OC 1P00A8R9 [0,2,0,0,0,0|2,0,0]=4 598 B15R1.10569 CCOC(=O)c1ccc(cc1C(=O)C)Br 1P028X77 [0,2,0,0,0,0|2,0,0]=4 599 B15R1.927 COC(=O)c1cc(C)ccc1S(=O)(=O)C 1P0012WO [0,2,0,0,0,0|2,0,0]=4 600 B15R1.927 COC(=O)c1cc(N)ccc1S(=O)(=O)C 1P028G2V [0,2,0,0,0,0|2,0,0]=4 601 B15R1.38521 COC(=O)c1cc(Br)ccc1C(=O)OC 1P004P3X [0,2,0,0,0,0|2,0,0]=4 602 B15R1.38521 COC(=O)c1cc(Cl)ccc1C(=O)OC 1P00EO9W [0,2,0,0,0,0|2,0,0]=4 603 B15R1.38521 COC(=O)c1cc(F)ccc1C(=O)OC 1P008UXS [0,2,0,0,0,0|2,0,0]=4 604 B15R1.38521 COC(=O)c1cc(I)ccc1C(=O)OC 1P00EMFA [0,2,0,0,0,0|2,0,0]=4 605 B15R1.38521 COC(=O)c1cc(N)ccc1C(=O)OC 1P00DKW4 [0,2,0,0,0,0|2,0,0]=4 606 B15R1.38521 COC(=O)c1cc(O)ccc1C(=O)OC 1P00C5B2 [0,2,0,0,0,0|2,0,0]=4 607 B15R1.11678 COC(=O)c1ccc(cc1S(=O)(=O)C)Br 1P003SBD [0,2,0,0,0,0|2,0,0]=4 608 B15R1.38509 COC(=O)c1c(Br)cccc1C(=O)OC 1P00EIU6 [0,2,0,0,0,0|2,0,0]=4 609 B15R1.38509 COC(=O)c1c(Cl)cccc1C(=O)OC 1P01GNOJ [0,2,0,0,0,0|2,0,0]=4 610 B15R1.38509 COC(=O)c1c(F)cccc1C(=O)OC 1P002823 [0,2,0,0,0,0|2,0,0]=4 611 B15R1.38509 COC(=O)c1c(I)cccc1C(=O)OC 1P007YX0 [0,2,0,0,0,0|2,0,0]=4 612 B15R1.38509 COC(=O)c1c(N)cccc1C(=O)OC 1P00CJKE [0,2,0,0,0,0|2,0,0]=4 613 B15R1.38509 COC(=O)c1c(O)cccc1C(=O)OC 1P00798Q [0,2,0,0,0,0|2,0,0]=4 614 B15R1.12642 COC(=O)c1c(OC)cccc1N(C)C 1P01FL2M [0,2,0,0,0,0|0,0,0]=2 615 B13R1.15 COC(=O)\C=C\c1cccc(c1)C 1P00IJI1 [0,0,1,1,0,0|1,0,1]=4 616 B13R1.15 COC(=O)\C=C\c1cccc(n1)C 1P00IE3E [0,0,1,1,0,0|2,0,0]=4 617 B13R1.2137 COc1cccc(c1C=O)N(C)C 1P01K1NS [0,0,1,1,0,0|2,0,0]=4 618 B13R2.32 CC1CCc2c(C1=O)cccc2 1P001RJZ [1,0,0,1,0,0|2,0,0]=4 619 B13R2.32 CC1CNc2c(C1=O)cccc2 1P01SQQK [1,0,0,1,0,0|1,0,0]=3 620 B13R2.32 CC1COc2c(C1=O)cccc2 1P00ANNP [1,0,0,1,0,0|2,0,0]=4 621 B13R2.32 CC1CSc2c(C1=O)cccc2 1P00GQ3B [1,0,0,1,0,0|2,0,0]=4 622 B13R2.371 Cn1ccc(=O)c2c1cccc2 1P00503X [1,0,0,1,0,0|1,0,1]=4 623 B13R2.371 Cn1ncc(=O)c2c1cccc2 1P001OIA [1,0,0,1,0,0|2,0,0]=4 624 B13R2.371 O=C1CCC(c2c1cccc2)C 1P002BW9 [1,0,0,1,0,0|2,0,0]=4 625 B13R2.371 O=C1CCN(c2c1cccc2)C 1P01A2JS [1,0,0,1,0,0|1,0,0]=3 626 B13R2.371 O=C1OCC(=O)c2c1cccc2 1P00EWTJ [1,0,0,1,0,0|2,0,0]=4 627 B13R2.582 CCc1cccc2c1C(=O)CC2 1P00DXTI [1,0,0,1,0,0|2,0,0]=4 628 B13R2.582 COc1cccc2c1C(=O)CC2 1P0034V3 [1,0,0,1,0,0|2,0,0]=4 629 B13R2.582 COc1cccc2c1C(=O)NC2 1P00II2W [1,0,0,1,0,0|2,0,0]=4 630 B13R2.582 COc1cccc2c1C(=O)OC2 1P00CF8K [1,0,0,1,0,0|1,0,0]=3 631 B13R2.582 NCc1cccc2c1C(=O)OC2 1P027W0C [1,0,0,1,0,0|2,0,0]=4 632 B13R2.582 O=Cc1cccc2c1C(=O)OC2 1P027V2Y [1,0,0,1,0,0|2,0,0]=4 633 B13R2.582 OCc1cccc2c1C(=O)OC2 1P027VHH [1,0,0,1,0,0|2,0,0]=4 634 B13R2.2931 CNc1cn(c2c1cccc2)C 1P027YS7 [1,0,0,1,0,0|2,0,0]=4 635 B13R2.3085 Cn1c2ccccc2c(c1C)Br 1P0057EC [1,0,0,1,0,0|2,0,0]=4 636 B13R2.3085 O=C1c2ccccc2N(C1=O)C 1P002AU5 [1,0,0,1,0,0|2,0,0]=4 637 B13R2.5252 O=C1CCCCc2c1cccc2 1P008KEV [1,0,0,1,0,0|2,0,0]=4 638 B13R2.5252 O=C1CCCNc2c1cccc2 1P003DQU [1,0,0,1,0,0|1,0,0]=3 639 B13R2.5252 O=C1CCCOc2c1cccc2 1P005POS [1,0,0,1,0,0|2,0,0]=4 640 B13R2.5252 O=C1CCCSc2c1cccc2 1P00BI6V [1,0,0,1,0,0|2,0,0]=4 641 B13R2.5252 O=C1NCCCc2c1cccc2 1P00FBCB [1,0,0,1,0,0|2,0,0]=4 642 B13R2.5252 O=C1NCCNc2c1cccc2 1P002W4X [1,0,0,1,0,0|1,0,0]=3 643 B13R2.5252 O=C1NCCOc2c1cccc2 1P00FEL2 [1,0,0,1,0,0|2,0,0]=4 644 B13R2.5252 O=C1NCCSc2c1cccc2 1P001M6J [1,0,0,1,0,0|2,0,0]=4 645 B13R2.5252 O=S1CCCNc2c1cccc2 1P019SU5 [1,0,0,1,0,0|2,0,0]=4 646 B13R2.5514 OC(=O)c1ccccc1C2CC2 1P007JBH [1,0,0,1,0,0|1,0,0]=3 647 B13R2.5514 OC(=O)c1cccnc1C2CC2 1P018SSJ [1,0,0,1,0,0|2,0,0]=4 648 B13R2.5514 OC(=O)c1ccncc1C2CC2 1P02853Z [1,0,0,1,0,0|2,0,0]=4 649 B13R2.5514 OC(=O)c1ncccc1C2CC2 1P00IF9X [1,0,0,1,0,0|2,0,0]=4 650 B13R2.5514 OC(=O)c1ncccc1C2CC2 1P028I3H [1,0,0,1,0,0|2,0,0]=4 651 B13R2.5514 OC(=O)c1ncccc1C2CC2 1P028LKN [1,0,0,1,0,0|2,0,0]=4 652 B13R2.12159 CC1=CC(c2c1cccc2)(C)C 1P006ZVI [1,0,0,1,0,0|2,0,0]=4 653 B13R2.12159 O=C1CC(c2c1cccc2)(C)C 1P002TT2 [1,0,0,1,0,0|1,0,0]=3 654 B13R2.12159 O=C1NC(c2c1cccc2)(C)C 1P002G1F [1,0,0,1,0,0|2,0,0]=4 655 B13R2.12159 O=C1OC(c2c1cccc2)(C)C 1P001YTV [1,0,0,1,0,0|1,0,0]=3 656 B13R2.328 BrC1=Cc2c(N(C1)C)cccc2 1P007P06 [1,0,0,1,0,0|2,0,0]=4 657 B13R2.5569 CN(c1cccc2c1CNC2)C 1P028VM9 [1,0,0,1,0,0|1,0,1]=4 658 B15R2.14628 CC(C1CNC(=O)c2c1cccc2)C 1P028FX3 [0,0,0,1,0,1|2,0,0]=4 659 B15R2.19309 COC(=O)c1cccc2c1NC(=O)C2 1P003SIB [0,0,0,1,0,1|2,0,0]=4 660 B15R2.19309 COC(=O)c1cccc2c1[nH]c(n2)C 1P002KCL [0,0,0,1,0,1|2,0,0]=4 661 B15R2.19309 COC(=O)c1cccc2c1cc([nH]2)C 1P007I3F [0,0,0,1,0,1|2,0,0]=4 662 B15R2.19309 COC(=O)c1cccc2c1cn(n2)C 1P008ULN [0,0,0,1,0,1|1,0,0]=3 663 B15R2.19309 COC(=O)c1cccc2c1nc(o2)C 1P00HS89 [0,0,0,1,0,1|2,0,0]=4 664 B15R2.19309 COC(=O)c1cccc2c1nn(c2)C 1P008UER [0,0,0,1,0,1|0,0,1]=3 665 B15R2.19309 COC(=O)c1cccc2c1sc(n2)C 1P00AVRB [0,0,0,1,0,1|2,0,0]=4 666 B15R2.141978 O=C1NCC(Oc2c1cccc2)(C)C 1P028EZG [0,0,0,1,0,1|2,0,0]=4 667 B15R2.7341 O=C1CCC(c2c(C1)cccc2)(C)C 1P01FJOZ [0,0,0,1,0,1|2,0,0]=4 668 B15R2.23388 CNC(=O)c1cn(c2c1cccc2)C 1P026GTO [0,0,0,1,0,1|1,0,1]=4 669 B15R2.23388 COC(=O)C1CC(=O)c2c1cccc2 1P002YTL [0,0,0,1,0,1|2,0,0]=4 670 B15R2.23388 COC(=O)C1CC(c2c1cccc2)N 1P01A70Y [0,0,0,1,0,1|2,0,0]=4 671 B15R2.23388 COC(=O)c1cn(c2c1cccc2)C 1P00844U [0,0,0,1,0,1|0,0,1]=3 672 B15R2.23388 COC(=O)c1nn(c2c1cccc2)C 1P007U3M [0,0,0,1,0,1|1,0,0]=3 673 B15R2.4804 CCN1CCCC(=O)c2c1cccc2 1P01DT9K [0,1,0,1,0,0|1,0,0]=3 674 B15R2.7340 O=C1CNC(=O)c2c(N1C)cccc2 1P0082FB [0,1,0,1,0,0|1,0,1]=4 675 B15R2.7494 Brc1ccc2c(c1)C(=O)CCC2(C)C 1P001XIY [0,1,0,1,0,0|2,0,0]=4 676 B15R2.7494 Brc1ccc2c(c1)C(=O)NCC2(C)C 1P01F8SH [0,1,0,1,0,0|2,0,0]=4 677 B15R2.7494 Clc1ccc2c(c1)C(=O)CCC2(C)C 1P01JV7G [0,1,0,1,0,0|2,0,0]=4 678 B15R2.7494 Nc1ccc2c(c1)C(=O)CCC2(C)C 1P00AN0L [0,1,0,1,0,0|2,0,0]=4 679 B15R2.7494 Oc1ccc2c(c1)C(=O)CCC2(C)C 1P00MAH3 [0,1,0,1,0,0|2,0,0]=4 680 B15R2.42587 Brc1ccc2c(c1)N(C)CCNC2=O 1P025GIC [0,1,0,1,0,0|1,0,0]=3 681 B15R2.1605 COC(=O)c1ccccc1C2(N)CC2 1P027L58 [0,1,0,1,0,0|1,0,0]=3 682 B15R2.19310 COC(=O)c1cccc2c1C(=O)CC2 1P00FI47 [0,1,0,1,0,0|2,0,0]=4 683 B15R2.19310 COC(=O)c1cccc2c1C(=O)NC2 1P0062LU [0,1,0,1,0,0|2,0,0]=4 684 B15R2.19310 COC(=O)c1cccc2c1C(C)CN2 1P01XA7G [0,1,0,1,0,0|1,0,0]=3 685 B15R2.19310 COC(=O)c1cccc2c1n(C)cc2 1P01A5DP [0,1,0,1,0,0|0,0,1]=3 686 B15R2.19310 COC(=O)c1cccc2c1n(C)nc2 1P008UAC [0,1,0,1,0,0|0,0,1]=3 687 B15R2.19310 COC(=O)c1cccc2c1n(C)nn2 1P028RLS [0,1,0,1,0,0|1,0,0]=3 688 B15R2.19399 CNC(=O)c1ccccc1C2CCC2 1P02860Y [0,1,0,1,0,0|2,0,0]=4 689 B15R2.19399 COC(=O)c1ccccc1C2CCC2 1P01DW9P [0,1,0,1,0,0|1,0,0]=3 690 B15R2.19399 COC(=O)c1ccccc1C2CNC2 1P023ZM7 [0,1,0,1,0,0|1,0,0]=3 691 B15R2.14787 Brc1ccc2c(c1)C(C)(C)CCC2=O 1P00IKK4 [0,1,0,1,0,0|2,0,0]=4 692 B15R2.14787 Brc1ccc2c(c1)C(C)(C)CNC2=O 1P00J86D [0,1,0,1,0,0|2,0,0]=4 693 B15R2.19300 COC(=O)c1ccc(cc1C2CC2)C 1P028VZ0 [0,1,0,1,0,0|1,0,0]=3 694 B15R3.16679 O=C1CCC2(c3c1cccc3)CC2 1P01DX1W [0,0,0,2,0,0|2,0,0]=4 695 B15R3.16679 O=C1NCC2(c3c1cccc3)CC2 1P01E3AJ [0,0,0,2,0,0|2,0,0]=4 696 B15R3.3722 O=C1C2CCC(C2)c3c1cccc3 1P028GBW [0,0,0,2,0,0|2,0,0]=4 697 B11R1.59 COC(=O)c1cc[nH]c1CC 1P00IFA8 [1,0,0,0,1,0|2,0,0]=4 698 B11R1.59 COC(=O)c1ccsc1NC 1P023J25 [1,0,0,0,1,0|1,0,0]=3 699 B11R1.59 COC(=O)c1sccc1OC 1P003S9J [1,0,0,0,1,0|2,0,0]=4 700 B11R1.178 CC(c1[nH]ccc1C(=O)O)C 1P01B8QI [1,0,0,0,1,0|2,0,0]=4 701 B11R1.178 CC(c1c[nH]cc1C(=O)O)C 1P01BOAA [1,0,0,0,1,0|2,0,0]=4 702 B11R1.178 CC(c1ccoc1C(=O)O)C 1P01BDBE [1,0,0,0,1,0|2,0,0]=4 703 B11R1.178 CC(c1ccsc1C(=O)O)C 1P019WP9 [1,0,0,0,1,0|2,0,0]=4 704 B11R1.178 CC(c1cscc1C(=O)O)C 1P027UR1 [1,0,0,0,1,0|2,0,0]=4 705 B11R1.178 OC(=O)c1cccn1C(C)C 1P00J2Y3 [1,0,0,0,1,0|2,0,0]=4 706 B13R1.91 CCC(=O)Cc1ccccc1OC 1P00CERG [1,0,0,0,0,1|2,0,0]=4 707 B13R1.91 COC(=O)Cc1ccccc1C#C 1P00F9Z7 [1,0,0,0,0,1|1,0,1]=4 708 B13R1.91 COC(=O)Cc1ccccc1C#N 1P002KJU [1,0,0,0,0,1|2,0,0]=4 709 B13R1.91 COC(=O)Cc1ccccc1C=O 1P00ED9S [1,0,0,0,0,1|2,0,0]=4 710 B13R1.91 COC(=O)Cc1ccccc1CBr 1P009DP3 [1,0,0,0,0,1|2,0,0]=4 711 B13R1.91 COC(=O)Cc1ccccc1CN 1P00BJBJ [1,0,0,0,0,1|2,0,0]=4 712 B13R1.91 COC(=O)Cc1ccccc1OC 1P002V8H [1,0,0,0,0,1|1,0,0]=3 713 B13R1.91 COC(=O)Cc1ccccc1SC 1P027UIM [1,0,0,0,0,1|1,0,0]=3 714 B13R1.91 COC(=O)Nc1ccccc1CO 1P00HEGK [1,0,0,0,0,1|2,0,0]=4 715 B13R1.380 CNCc1ccccc1CN(C)C 1P00J1WZ [1,0,0,0,0,1|1,0,1]=4 716 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 1P01EM6G [0,0,0,0,1,1|1,0,0]=3 717 B13R1.543 COC(=O)c1cccc(c1)C(=O)C 1P003S7H [0,0,0,0,1,1|2,0,0]=4 718 B13R1.543 COC(=O)c1cccc(c1)C(Br)C 1P003S5X [0,0,0,0,1,1|2,0,0]=4 719 B13R1.543 COC(=O)c1cccc(c1)C(N)C 1P000T56 [0,0,0,0,1,1|2,0,0]=4 720 B13R1.543 COC(=O)c1cccc(c1)N(C)C 1P001WGJ [0,0,0,0,1,1|0,0,0]=2 721 B13R1.543 COC(=O)c1cccc(c1)[C@@H](N)C 1P001AU9 [0,0,0,0,1,1|2,0,0]=4 722 B13R1.543 COC(=O)c1cccc(c1)[C@H](N)C 1P000LDD [0,0,0,0,1,1|2,0,0]=4 723 B13R1.543 COC(=O)c1cccc(n1)C(=O)C 1P007EBT [0,0,0,0,1,1|2,0,0]=4 724 B13R1.543 COC(=O)c1ccnc(c1)N(C)C 1P002SD7 [0,0,0,0,1,1|1,0,0]=3 725 B13R1.543 COC(=O)c1cncc(c1)N(C)C 1P003SDD [0,0,0,0,1,1|1,0,0]=3 726 B13R1.543 ClCC(=O)c1cccc(c1)N(C)C 1P028UL3 [0,0,0,0,1,1|2,0,0]=4 727 B13R1.543 NNC(=O)c1cccc(c1)N(C)C 1P002AV1 [0,0,0,0,1,1|2,0,0]=4 728 B15R1.985 COC(=O)c1ccccc1OCC(=C)C 1P01ANI2 [0,0,0,0,0,2|1,0,1]=4 729 B15R1.1108 COC(=O)COc1ccccc1C(=O)C 1P00IDDD [0,0,0,0,0,2|2,0,0]=4