0 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H9102 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 C[C@@H](N)CCC1=CC=C(O)C=C1 A15452 [0,0,0,0,0,0|1,0,1]=2 7 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 C14734 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.21 N=C(N)\C=C\C1=CC=C(Cl)C=C1 C16845 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 A17898 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 B1089 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 F5239 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 I0062 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 C13273 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [0,0,0,0,0,0|1,0,2]=3 21 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 H7667 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.1 CCCCC1=CC=C(N)C=C1 B1469 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.1 CCCCC1=CC=C(S)C=C1 B7731 [1,0,0,0,0,0|1,1,1]=4 24 B11R1.1 CNCCC1=CC=C(O)C=C1 M14940 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.1 COCCC1=CC=C(O)C=C1 M0084 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B9442 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.1 [C-]#[N+]CCC1=CC=C(Br)C=C1 B9445 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.91 N=C(N)CCC1=CN=CC=C1 P15961 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 N=C(N)COC1=CC=CC=C1 P16903 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 P10067 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.91 O=C(O)CCC1=NC=CC=N1 P14965 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.91 O=C(O)CSC1=CC=NC=C1 P3183 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 S7823 [1,0,0,0,0,0|1,0,2]=4 39 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 M0256 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [0,1,0,0,0,0|1,0,2]=4 42 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [0,1,0,0,0,0|1,0,2]=4 43 B13R1.14 NNC(=O)COC1=CC=C(F)C=C1 F4414 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 A8328 [0,1,0,0,0,0|2,0,0]=3 45 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H8280 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T2383 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O F2315 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O I0355 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A5097 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O B10803 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C0354 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F6348 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O I6328 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T19184 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O B10804 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C9004 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O F8323 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T6097 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.164 CC1=CC(Cl)=CC=C1OCC(=O)O M11168 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl D9863 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.164 O=C(O)\C=C\C1=CC=C(O)C=C1Cl C14739 [0,1,0,0,0,0|1,0,2]=4 62 B13R1.511 CC1=C(C)C=C(OCC(=O)O)C=C1 D8212 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 A14459 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 D8276 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 D8445 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C0217 [0,1,0,0,0,0|1,0,2]=4 67 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 C0217 [0,1,0,0,0,0|1,0,2]=4 68 B13R2.155 NC1=CC2=C(C=C1)CCC(=O)N2 A18131 [0,0,0,1,0,0|1,0,0]=2 69 B13R2.155 NC1=CC2=C(C=C1)NCC(=O)N2 A18109 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 H7526 [0,0,0,1,0,0|1,0,2]=4 71 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 H3719 [0,0,0,1,0,0|0,0,2]=3 72 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 H3719 [0,0,0,1,0,0|0,0,2]=3 73 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 H2958 [0,0,0,1,0,0|0,0,0]=1 74 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 H2958 [0,0,0,1,0,0|0,0,0]=1 75 B13R2.155 O=C1COC2=CC=C(Cl)C=C2N1 C8341 [0,0,0,1,0,0|2,0,0]=3 76 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 A1579 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 A1916 [0,0,0,0,1,0|2,0,0]=3 78 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 A3877 [0,0,0,0,1,0|2,1,0]=4 79 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 T13930 [0,0,0,0,1,0|2,0,0]=3 80 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T2230 [0,0,0,0,1,0|2,0,0]=3 81 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 B13672 [0,0,0,0,1,0|2,0,0]=3 82 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 C13729 [0,0,0,0,1,0|2,0,0]=3 83 B11R1.20 N=C(N)CC1=CC=C(I)C=C1 P13840 [0,0,0,0,1,0|2,0,0]=3 84 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 A18166 [0,0,0,0,1,0|2,0,0]=3 85 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 B10339 [0,0,0,0,1,0|2,1,0]=4 86 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 H7775 [0,0,0,0,1,0|1,1,0]=3 87 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A0970 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 B10452 [0,0,0,0,1,0|2,0,0]=3 89 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 F7924 [0,0,0,0,1,0|2,0,0]=3 90 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [0,0,0,0,1,0|2,0,0]=3 91 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C11770 [0,0,0,0,1,0|2,0,0]=3 93 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F0757 [0,0,0,0,1,0|2,0,0]=3 94 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 H4994 [0,0,0,0,1,0|1,0,0]=2 95 B11R1.75 N=C(N)CCC1=CC=C(Br)S1 B15986 [0,0,0,0,1,0|3,0,0]=4 96 B10R1.1 ClC1=CC=C(CCBr)C=C1 B9884 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.1 FC1=CC=C(CCBr)C=C1 B9148 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.1 FC1=CC=C(CCCl)C=C1 C7477 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.1 N#CCC1=CC=C(O)C=C1 H0435 [2,0,0,0,0,0|0,0,2]=4 100 B10R1.1 NC1=CC=C(CCO)C=C1 A6857 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.1 NCCC1=CC=C(Br)C=C1 B2101 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.1 NCCC1=CC=C(Cl)C=C1 C2522 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.1 NCCC1=CC=C(N)C=C1 A18081 [2,0,0,0,0,0|1,0,0]=3 104 B10R1.1 NCCC1=CC=C(N)C=C1 A18082 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [2,0,0,0,0,0|0,0,0]=2 106 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [2,0,0,0,0,0|0,0,0]=2 107 B10R1.1 OCCC1=CC=C(Br)C=C1 B18704 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.1 OCCC1=CC=C(F)C=C1 F4316 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.17 CNCCC1=CC=CC=C1 M12421 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.17 NCCOC1=CC=CC=C1 P3356 [2,0,0,0,0,0|1,0,1]=4 111 B12R1.1 CCCCCC1=CC=C(O)C=C1 P7653 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.1 CCCCOC1=CC=C(O)C=C1 B6915 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S1319 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S1319 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S6266 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S9173 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.71 COC1=CC=C(CCC=O)C=C1 M7640 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.71 COC1=CC=C(CN=C=O)C=C1 M7584 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [1,1,0,0,0,0|1,1,0]=4 121 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.27 NNC(=S)NCC1=CC=CC=C1 B8255 [1,1,0,0,0,0|1,1,0]=4 124 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O P0034 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P0032 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P7721 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P7717 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O P7716 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P0033 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O P7720 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 A1934 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 A14509 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 A14654 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 A1932 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 A1933 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.125 O=C(O)CCC1=CC=CC=C1Br B10264 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.125 O=C(O)CCC1=CC=CC=C1F F2686 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.226 NC1=NC(CCC(=O)O)=CC=C1 A14728 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 C17836 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 F17844 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.4 CC(=O)CC1=CC=C(C#N)C=C1 C13033 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.4 CCC1=CC=C(CC(=N)N)C=C1 E14094 [0,1,0,0,1,0|2,0,0]=4 155 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 E7545 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 M13849 [0,1,0,0,1,0|1,0,0]=3 157 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M4993 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M1760 [0,1,0,0,1,0|1,0,0]=3 159 B12R1.4 CSC1=CC=C(CC(=N)N)C=C1 M13860 [0,1,0,0,1,0|1,1,0]=4 160 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 C8389 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.19 CC1=CC=C(CC(=N)N)C=C1C D13642 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.19 N=C(N)CC1=CC=C(Cl)C(Cl)=C1 D13774 [0,1,0,0,1,0|2,0,0]=4 163 B12R1.19 NC1=C(Cl)C=CC(CC(=O)O)=C1 A12846 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 B10333 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D9231 [0,1,0,0,1,0|2,0,0]=4 166 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C8542 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.19 O=C(O)CC1=CC=C(F)C(F)=C1 D0997 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 C2432 [0,1,0,0,1,0|1,0,0]=3 169 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 A15457 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 M7642 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 H15811 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 C8423 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A8427 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 F7800 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 H7018 [0,1,0,0,1,0|1,0,0]=3 177 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A8426 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 F7801 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [0,1,0,0,1,0|1,0,0]=3 180 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 B5333 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 M6928 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 F7822 [0,1,0,0,1,0|2,0,0]=4 185 B12R1.233 CC1=CC(C)=C(NC(N)=O)C=C1 D7647 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.233 CC1=CC=C(CC(=O)O)C(C)=C1 D7645 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.233 N=C(N)CC1=CC=C(Cl)C=C1Cl D13772 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 D7897 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Cl D0915 [0,1,0,0,1,0|2,0,0]=4 190 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M8773 [0,1,0,0,0,1|1,0,0]=3 191 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 M8681 [0,1,0,0,0,1|2,0,0]=4 192 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 F8840 [0,1,0,0,0,1|2,0,0]=4 193 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O T0363 [0,1,0,0,0,1|1,0,0]=3 194 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 M16305 [0,2,0,0,0,0|1,0,1]=4 195 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=N1 A1935 [0,2,0,0,0,0|2,0,0]=4 196 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=N1 A1937 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.2 COC1=NC=C(C(N)CC(=O)O)C=C1 A1938 [0,2,0,0,0,0|2,0,0]=4 198 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M8809 [0,2,0,0,0,0|1,0,0]=3 199 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M5028 [0,2,0,0,0,0|1,0,0]=3 200 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 T10362 [0,2,0,0,0,0|1,0,0]=3 201 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 M9455 [0,2,0,0,0,0|1,0,1]=4 202 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 C12691 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 N3095 [0,2,0,0,0,0|1,0,1]=4 204 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 A15331 [0,2,0,0,0,0|2,0,0]=4 205 B14R1.134 CC(OC1=CC=C(O)C=C1)C(=O)NN H8853 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 M8849 [0,2,0,0,0,0|2,0,0]=4 207 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T8807 [0,2,0,0,0,0|1,0,0]=3 208 B14R1.727 CC1=CC=C(OCC(=O)NN)C(C)=C1 D8779 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.132 O=C(O)C(=O)C(O)C1=CC=C(O)C=C1 D11716 [0,2,0,0,0,0|1,0,1]=4 210 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 B4663 [0,2,0,0,0,0|2,0,0]=4 211 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 B4663 [0,2,0,0,0,0|2,0,0]=4 212 B14R1.536 CC1=CC=C(CC(CN)C(=O)O)C=C1 A14554 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.536 N#CC(CC1=CC=C(Br)C=C1)C(=O)O B18438 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.536 NCC(CC1=CC=C(Br)C=C1)C(=O)O A18173 [0,2,0,0,0,0|2,0,0]=4 215 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O A18176 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.686 NC(CC1=CC=C(F)C(F)=C1)C(=O)O D0998 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [0,2,0,0,0,0|1,0,0]=3 218 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [0,2,0,0,0,0|1,0,0]=3 219 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O D9075 [0,2,0,0,0,0|2,0,0]=4 220 B14R1.6049 NC(CC1=C(F)C=C(O)C=C1)C(=O)O A14565 [0,2,0,0,0,0|1,0,0]=3 221 B14R1.7626 CC(O)(CC1=CC=C(F)C=C1)C(=O)O F6800 [0,2,0,0,0,0|2,0,0]=4 222 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O A8814 [0,2,0,0,0,0|1,0,0]=3 223 B12R2.24 NC1=CC=C2CCCNC2=C1 A3707 [1,0,0,1,0,0|1,0,1]=4 224 B12R2.132 CC1=CC=C2CCC(N)C2=C1 M17107 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 B13710 [1,0,0,1,0,0|1,0,0]=3 226 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 C17004 [1,0,0,1,0,0|1,0,0]=3 227 B12R2.132 O=C1CCC2=CC=C(F)C=C12 F14034 [1,0,0,1,0,0|1,0,0]=3 228 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 B19421 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.2403 NC1(O)CCC2=C1C=CC=C2 A15409 [1,0,0,1,0,0|0,0,2]=4 230 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 A0178 [0,0,0,1,1,0|2,0,0]=4 231 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 A0178 [0,0,0,1,1,0|2,0,0]=4 232 B12R2.606 NC1=NC2=CC=C(O)C=C2S1 A13418 [0,0,0,1,1,0|1,1,0]=4 233 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9528 [0,0,0,1,1,0|1,0,0]=3 234 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C7755 [0,0,0,1,1,0|1,0,0]=3 235 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 H14834 [0,0,0,1,1,0|2,0,0]=4 236 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 F11056 [0,0,0,1,1,0|1,0,0]=3 237 B12R2.606 O=C1CC2=CC=C(O)C=C2N1 H14906 [0,0,0,1,1,0|0,0,0]=2 238 B12R2.606 O=C1NC2=CC(Cl)=CC=C2O1 C1739 [0,0,0,1,1,0|2,0,0]=4 239 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 C5390 [0,0,0,1,1,0|2,0,0]=4 240 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 F8202 [0,0,0,1,0,1|2,0,0]=4 241 B14R2.380 CC1=CC=C2CCCC(=O)NC2=C1 M13289 [0,0,0,1,0,1|1,0,0]=3 242 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 A13291 [0,0,0,1,0,1|1,0,0]=3 243 B14R2.380 O=C1CCCC2=CC=C(Br)C=C2N1 B13290 [0,0,0,1,0,1|1,0,0]=3 244 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 A18013 [0,0,0,1,0,1|2,0,0]=4 245 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 M8065 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.134 COC1=CC2=C(C=C1)CCC(N)C2 A18245 [0,1,0,1,0,0|1,0,1]=4 247 B14R2.134 COC1=CC2=C(C=C1)CCC(N)C2 M6730 [0,1,0,1,0,0|1,0,1]=4 248 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 M17099 [0,1,0,1,0,0|1,0,0]=3 249 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [1,0,0,0,1,0|1,0,0]=3 250 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [1,0,0,0,1,0|2,0,0]=4 251 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [1,0,0,0,1,0|2,0,0]=4 252 B10R1.18 N=C(N)NC1=CC=CC=C1 P8891 [1,0,0,0,1,0|2,0,0]=4 253 B10R1.18 N=C(N)SC1=CC=CC=C1 P13914 [1,0,0,0,1,0|2,0,0]=4 254 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [1,0,0,0,1,0|1,0,0]=3 255 B10R1.18 NC(N)=NC1=CC=CC=C1 D8941 [1,0,0,0,1,0|2,0,0]=4 256 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [1,0,0,0,1,0|2,0,0]=4 257 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [1,0,0,0,1,0|2,0,0]=4 258 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [1,0,0,0,1,0|2,0,0]=4 259 B10R1.66 N=C(N)CCC1=CC=CO1 F16867 [1,0,0,0,1,0|2,0,0]=4 260 B10R1.66 N=C(N)CCN1C=CC=C1 P13903 [1,0,0,0,1,0|2,0,0]=4 261 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [0,0,0,0,2,0|2,0,0]=4 262 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [0,0,0,0,2,0|2,0,0]=4 263 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [0,0,0,0,2,0|1,0,1]=4 264 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [0,0,0,0,2,0|1,0,1]=4 265 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M13863 [0,0,0,0,2,0|2,0,0]=4 266 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 M18854 [0,0,0,0,2,0|2,0,0]=4 267 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 A12653 [0,0,0,0,2,0|1,0,1]=4 268 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B13676 [0,0,0,0,2,0|2,0,0]=4 269 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C13004 [0,0,0,0,2,0|2,0,0]=4 270 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F12780 [0,0,0,0,2,0|2,0,0]=4 271 B10R1.13 N=C(N)C1=CC=C(I)C=C1 I16414 [0,0,0,0,2,0|2,0,0]=4 272 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A18192 [0,0,0,0,2,0|2,0,0]=4 273 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A9362 [0,0,0,0,2,0|2,0,0]=4 274 B10R1.13 N=C(N)C1=CC=C(O)C=C1 C7930 [0,0,0,0,2,0|1,0,0]=3 275 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H13795 [0,0,0,0,2,0|1,0,0]=3 276 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C18869 [0,0,0,0,2,0|1,0,0]=3 277 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A0176 [0,0,0,0,2,0|1,0,0]=3 278 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 B9721 [0,0,0,0,2,0|1,1,0]=4 279 B10R1.13 NC(=S)C1=CC=C(N)C=C1 A5434 [0,0,0,0,2,0|1,1,0]=4 280 B10R1.13 NC1=CC=C(C(=O)O)C=C1 A11243 [0,0,0,0,2,0|2,0,0]=4 281 B10R1.13 NC1=CC=C(C(=O)O)C=C1 A11243 [0,0,0,0,2,0|2,0,0]=4 282 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A19387 [0,0,0,0,2,0|2,0,0]=4 283 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 B2712 [0,0,0,0,2,0|2,0,0]=4 284 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 C18851 [0,0,0,0,2,0|2,0,0]=4 285 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 F7471 [0,0,0,0,2,0|2,0,0]=4 286 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 B0745 [0,0,0,0,2,0|2,0,0]=4 287 B10R1.13 O=C(O)C1=CC=C(F)C=C1 F0172 [0,0,0,0,2,0|2,0,0]=4 288 B10R1.13 O=C(O)C1=CC=C(I)C=C1 I4019 [0,0,0,0,2,0|2,0,0]=4 289 B10R1.13 O=C(O)C1=CC=C(O)C=N1 H14882 [0,0,0,0,2,0|2,0,0]=4 290 B10R1.13 O=C(O)C1=CC=C(O)N=C1 H5358 [0,0,0,0,2,0|2,0,0]=4 291 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M3209 [0,0,0,0,2,0|1,1,0]=4 292 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M3209 [0,0,0,0,2,0|1,1,0]=4 293 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 S7517 [0,0,0,0,2,0|2,0,0]=4 294 B10R1.54 NC(=O)CC1=NC(O)=CS1 H7462 [0,0,0,0,2,0|2,0,0]=4 295 B12R1.252 CC(=O)CSCC1=CC=CC=C1 B8221 [1,0,0,0,0,1|1,0,0]=3 296 B12R1.252 N=C(N)CCOC1=CC=CC=C1 P16902 [1,0,0,0,0,1|1,0,0]=3 297 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [1,0,0,0,0,1|0,0,0]=2 298 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [1,0,0,0,0,1|1,0,0]=3 299 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [1,0,0,0,0,1|1,0,0]=3