0 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 N=C(N)CCC1=CN=CC=C1 P15961 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 N=C(N)COC1=CC=CC=C1 P16903 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 P10067 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 P4462 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 O=C(O)CCC1=NC=CC=C1 P14084 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.91 O=C(O)CCC1=NC=CC=N1 P14965 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 O=C(O)CNC1=CC=CC=C1 P17764 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 O=C(O)CSC1=CC=CC=C1 T3907 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 O=C(O)CSC1=CC=NC=C1 P3183 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P14394 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 P14396 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 S7823 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.17 CCCCC1=CC=CN=C1 B11443 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.17 CCCCC1=NC=CC=C1 B11448 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 CNCCC1=CC=CC=C1 M12421 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 CNCCC1=CC=NC=C1 M12425 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 CNCCC1=NC=CC=C1 B5398 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 CNCCC1=NC=CC=C1 B6262 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [1,0,0,0,0,0|1,0,1]=3 23 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H7328 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 H9102 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.21 C[C@@H](N)CCC1=CC=C(O)C=C1 A15452 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.21 NC(=O)NCC1=CC=C(N)C=C1 A17898 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 B1089 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 F5239 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 I0062 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 C13273 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [0,1,0,0,0,0|1,1,0]=3 45 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.27 NNC(=S)NCC1=CC=CC=C1 B8255 [0,1,0,0,0,0|2,1,0]=4 48 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O P0034 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P0032 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P7721 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P7717 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O P7716 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P0033 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O P7720 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 A1934 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 A14509 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 A14654 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 A1932 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 A1933 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 M7536 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.125 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1 C9064 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.125 O=C(O)CCC1=CC=CC=C1Br B10264 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.125 O=C(O)CCC1=CC=CC=C1F F2686 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H7620 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl C1634 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F F2690 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.226 NC1=NC(CCC(=O)O)=CC=C1 A14728 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 C17836 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 F17844 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 C8303 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 B3797 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 F0985 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 H4009 [0,1,0,0,0,0|2,0,1]=4 86 B12R2.24 CC1=CC2=CC=CC=C2C=N1 M19159 [0,0,0,1,0,0|2,0,1]=4 87 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M17739 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q0957 [0,0,0,1,0,0|2,0,1]=4 89 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T11003 [0,0,0,1,0,0|2,0,1]=4 90 B12R2.24 O=C1CC2=CC=CC=C2CN1 D13329 [0,0,0,1,0,0|1,0,0]=2 91 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [0,0,0,1,0,0|2,0,0]=3 92 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 B7679 [0,0,0,1,0,0|3,0,0]=4 94 B10R1.18 CC(=O)NC1=NC=CC=C1 A14929 [0,0,0,0,1,0|2,0,0]=3 95 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [0,0,0,0,1,0|2,0,0]=3 96 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [0,0,0,0,1,0|2,0,0]=3 97 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [0,0,0,0,1,0|3,0,0]=4 98 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [0,0,0,0,1,0|3,0,0]=4 99 B10R1.18 N=C(N)NC1=CC=CC=C1 P8891 [0,0,0,0,1,0|3,0,0]=4 100 B10R1.18 N=C(N)SC1=CC=CC=C1 P13914 [0,0,0,0,1,0|2,1,0]=4 101 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [0,0,0,0,1,0|2,0,0]=3 102 B10R1.18 NC(N)=NC1=CC=CC=C1 D8941 [0,0,0,0,1,0|3,0,0]=4 103 B10R1.18 O=C(O)CC1=CC=CN=C1 P3052 [0,0,0,0,1,0|2,0,0]=3 104 B10R1.18 O=C(O)CC1=CC=NC=C1 P7971 [0,0,0,0,1,0|2,0,0]=3 105 B10R1.18 O=C(O)CC1=NC=CC=C1 P7970 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.18 O=C(O)CC1=NC=CC=N1 P14936 [0,0,0,0,1,0|3,0,0]=4 107 B12R1.252 CC(=O)CSCC1=CC=CC=C1 B8221 [0,0,0,0,0,1|0,1,0]=2 108 B12R1.252 N=C(N)CCOC1=CC=CC=C1 P16902 [0,0,0,0,0,1|3,0,0]=4 109 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [0,0,0,0,0,1|2,0,0]=3 110 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [0,0,0,0,0,1|2,0,0]=3 111 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [0,0,0,0,0,1|2,0,0]=3 112 B9R1.8 BrCCC1=CC=CC=C1 B1499 [2,0,0,0,0,0|1,0,1]=4 113 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [2,0,0,0,0,0|1,0,1]=4 114 B9R1.8 CNCC1=CC=CC=C1 C12471 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.8 CNCC1=CN=CC=C1 M13405 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [2,0,0,0,0,0|1,0,1]=4 117 B9R1.8 NCCC1=CC=CC=C1 P18797 [2,0,0,0,0,0|1,0,1]=4 118 B9R1.8 NCCC1=CC=CC=C1 P19425 [2,0,0,0,0,0|1,0,1]=4 119 B9R1.8 NNCC1=CC=CC=C1 B8798 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.8 NOCC1=CC=CC=C1 B7490 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.8 NOCC1=CC=CC=C1 B7490 [2,0,0,0,0,0|1,0,0]=3 122 B11R1.1 CCCCC1=CC=C(N)C=C1 B1469 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.1 CCCCC1=CC=C(S)C=C1 B7731 [1,1,0,0,0,0|1,0,1]=4 124 B11R1.1 CNCCC1=CC=C(O)C=C1 M14940 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.1 COCCC1=CC=C(O)C=C1 M0084 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.28 CCO\C=N\C1=CC=CC=C1 E19308 [1,1,0,0,0,0|0,0,2]=4 129 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [1,1,0,0,0,0|0,1,1]=4 130 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 B0897 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 A1579 [0,1,0,0,1,0|1,0,0]=3 133 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 A1916 [0,1,0,0,1,0|1,0,0]=3 134 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 A3877 [0,1,0,0,1,0|1,0,0]=3 135 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 I17180 [0,1,0,0,1,0|2,0,0]=4 136 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [0,1,0,0,1,0|1,0,1]=4 137 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 T13930 [0,1,0,0,1,0|2,0,0]=4 138 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T2230 [0,1,0,0,1,0|1,0,0]=3 139 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 B13672 [0,1,0,0,1,0|2,0,0]=4 140 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 C13729 [0,1,0,0,1,0|2,0,0]=4 141 B11R1.20 N=C(N)CC1=CC=C(I)C=C1 P13840 [0,1,0,0,1,0|2,0,0]=4 142 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 A18166 [0,1,0,0,1,0|2,0,0]=4 143 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A0970 [0,1,0,0,1,0|1,0,0]=3 144 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 B10452 [0,1,0,0,1,0|1,0,0]=3 145 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 F7924 [0,1,0,0,1,0|1,0,0]=3 146 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [0,1,0,0,1,0|1,0,0]=3 147 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B1332 [0,1,0,0,1,0|1,0,0]=3 148 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C11770 [0,1,0,0,1,0|1,0,0]=3 149 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F0757 [0,1,0,0,1,0|1,0,0]=3 150 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 H4994 [0,1,0,0,1,0|1,0,0]=3 151 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,1,0,0,1,0|1,0,1]=4 152 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,1,0,0,1,0|1,0,1]=4 153 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [0,1,0,0,1,0|1,0,0]=3 154 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 A14115 [0,1,0,0,1,0|2,0,0]=4 155 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 A15477 [0,1,0,0,1,0|2,0,0]=4 156 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 P6188 [0,1,0,0,1,0|1,0,0]=3 157 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,1,0,0,1,0|1,0,0]=3 158 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 P6912 [0,1,0,0,1,0|1,0,0]=3 159 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,1,0,0,1,0|1,0,0]=3 160 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M5987 [0,1,0,0,1,0|1,0,0]=3 161 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 M0801 [0,1,0,0,1,0|1,0,0]=3 162 B11R1.86 CC(=O)NC1=NC=CC=C1Br B15307 [0,1,0,0,1,0|2,0,0]=4 163 B11R1.86 CC(=O)NC1=NC=CC=C1O A15061 [0,1,0,0,1,0|2,0,0]=4 164 B11R1.86 CC(=O)NC1=[N+]([O-])C=CC=C1 O17203 [0,1,0,0,1,0|2,0,0]=4 165 B11R1.86 CC(=O)OC1=C(Cl)C=CC=C1 C7844 [0,1,0,0,1,0|0,0,0]=2 166 B11R1.86 CC1=CC=CC=C1CC(=N)N T13940 [0,1,0,0,1,0|2,0,0]=4 167 B11R1.86 CC1=CC=CC=C1CC(=O)O T4259 [0,1,0,0,1,0|1,0,0]=3 168 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B3813 [0,1,0,0,1,0|1,0,0]=3 169 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 C7842 [0,1,0,0,1,0|1,0,0]=3 170 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 H1271 [0,1,0,0,1,0|1,0,0]=3 171 B11R1.86 O=C(O)CC1=CC=CC=C1F F1336 [0,1,0,0,1,0|1,0,0]=3 172 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 A1578 [0,1,0,0,1,0|1,0,0]=3 173 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 A0689 [0,1,0,0,1,0|1,0,0]=3 174 B11R1.157 CC(=O)NC1=NC(Br)=CC=C1 B15302 [0,1,0,0,1,0|2,0,0]=4 175 B11R1.157 CC1=CC=CC(CC(=N)N)=C1 T13941 [0,1,0,0,1,0|2,0,0]=4 176 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 C16713 [0,1,0,0,1,0|2,0,0]=4 177 B11R1.157 N=C(N)CC1=CC(F)=CC=C1 F14030 [0,1,0,0,1,0|2,0,0]=4 178 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 A5096 [0,1,0,0,1,0|1,0,0]=3 179 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 B3814 [0,1,0,0,1,0|1,0,0]=3 180 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 C0700 [0,1,0,0,1,0|1,0,0]=3 181 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F1337 [0,1,0,0,1,0|1,0,0]=3 182 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F1337 [0,1,0,0,1,0|1,0,0]=3 183 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 B7832 [0,1,0,0,1,0|1,0,0]=3 184 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 P7869 [0,1,0,0,1,0|2,0,0]=4 185 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 A14489 [0,1,0,0,0,1|2,0,0]=4 186 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 B0903 [0,1,0,0,0,1|2,0,0]=4 187 B13R1.158 NC1=CC=CC=C1CCCC(=O)O A14450 [0,1,0,0,0,1|2,0,0]=4 188 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [0,1,0,0,0,1|2,0,0]=4 189 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [0,1,0,0,0,1|2,0,0]=4 190 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A6347 [0,1,0,0,0,1|1,0,1]=4 191 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7011 [0,1,0,0,0,1|2,0,0]=4 192 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O H7193 [0,1,0,0,0,1|2,0,0]=4 193 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O P4972 [0,1,0,0,0,1|2,0,0]=4 194 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O H8174 [0,1,0,0,0,1|2,0,0]=4 195 B13R1.351 N[C@H](CSC1=CC=CC=C1)C(=O)O A8905 [0,1,0,0,0,1|2,0,0]=4 196 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [0,1,0,0,0,1|2,0,0]=4 197 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H4618 [0,1,0,0,0,1|2,0,0]=4 198 B13R1.718 NCC(O)COCC1=CC=CC=C1 A14985 [0,1,0,0,0,1|0,0,2]=4 199 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M1255 [0,2,0,0,0,0|1,0,0]=3 200 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [0,2,0,0,0,0|1,0,1]=4 201 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 M8123 [0,2,0,0,0,0|1,0,1]=4 202 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 A8328 [0,2,0,0,0,0|2,0,0]=4 203 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T2383 [0,2,0,0,0,0|2,0,0]=4 204 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O F2315 [0,2,0,0,0,0|2,0,0]=4 205 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O I0355 [0,2,0,0,0,0|2,0,0]=4 206 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A5097 [0,2,0,0,0,0|2,0,0]=4 207 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O B10803 [0,2,0,0,0,0|2,0,0]=4 208 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C0354 [0,2,0,0,0,0|2,0,0]=4 209 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F6348 [0,2,0,0,0,0|2,0,0]=4 210 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O I6328 [0,2,0,0,0,0|2,0,0]=4 211 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T19184 [0,2,0,0,0,0|2,0,0]=4 212 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O B10804 [0,2,0,0,0,0|2,0,0]=4 213 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C9004 [0,2,0,0,0,0|2,0,0]=4 214 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O F8323 [0,2,0,0,0,0|2,0,0]=4 215 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T6097 [0,2,0,0,0,0|2,0,0]=4 216 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl D9863 [0,2,0,0,0,0|2,0,0]=4 217 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 A14459 [0,2,0,0,0,0|2,0,0]=4 218 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 D8276 [0,2,0,0,0,0|2,0,0]=4 219 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 D8445 [0,2,0,0,0,0|2,0,0]=4 220 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 A15460 [0,2,0,0,0,0|1,0,0]=3 221 B13R1.11 COC(=O)CC(N)C1=NC=CC=C1 A15332 [0,2,0,0,0,0|2,0,0]=4 222 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 A17903 [0,2,0,0,0,0|2,0,0]=4 223 B13R1.11 COC(=O)C[C@H](N)C1=CC=CN=C1 M1931 [0,2,0,0,0,0|2,0,0]=4 224 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M13251 [0,2,0,0,0,0|1,0,0]=3 225 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P11245 [0,2,0,0,0,0|1,0,0]=3 226 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 E8131 [0,2,0,0,0,0|1,0,0]=3 227 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 B18347 [0,2,0,0,0,0|1,0,0]=3 228 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [0,2,0,0,0,0|1,0,0]=3 229 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,2,0,0,0,0|1,0,0]=3 230 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 P0936 [0,2,0,0,0,0|1,0,0]=3 231 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M8214 [0,2,0,0,0,0|1,0,0]=3 232 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1N M19131 [0,2,0,0,0,0|1,0,1]=4 233 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O T19073 [0,2,0,0,0,0|2,0,0]=4 234 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O F8327 [0,2,0,0,0,0|2,0,0]=4 235 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O F8326 [0,2,0,0,0,0|2,0,0]=4 236 B13R1.152 CC(C1=CC=CC=C1)[C@H](N)C(=O)O A12805 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O F8325 [0,2,0,0,0,0|2,0,0]=4 238 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O F8324 [0,2,0,0,0,0|2,0,0]=4 239 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O M8177 [0,2,0,0,0,0|2,0,0]=4 240 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O M8176 [0,2,0,0,0,0|2,0,0]=4 241 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 A8329 [0,2,0,0,0,0|2,0,0]=4 242 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 B18641 [0,2,0,0,0,0|2,0,0]=4 243 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 A5536 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 A5536 [0,2,0,0,0,0|2,0,0]=4 245 B13R1.838 CS(=O)(=O)NCC1=CC=CC(N)=C1 A6120 [0,2,0,0,0,0|2,0,0]=4 246 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [1,0,0,1,0,0|2,0,0]=4 247 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [1,0,0,1,0,0|2,0,0]=4 248 B11R2.1 CC1=CSC2=C1C=CC=C2 M3947 [1,0,0,1,0,0|2,0,0]=4 249 B11R2.1 O=C1CCC2=CC=CC=C12 I4017 [1,0,0,1,0,0|1,0,0]=3 250 B11R2.1 O=C1COC2=C1C=CC=C2 C11757 [1,0,0,1,0,0|2,0,0]=4 251 B11R2.1 O=C1NSC2=CC=CC=C12 B3703 [1,0,0,1,0,0|2,0,0]=4 252 B11R2.20 C1=CC=C2COCCC2=C1 D11474 [1,0,0,1,0,0|0,0,1]=3 253 B11R2.10 CC1CC2=CC=CC=C2N1 M1671 [0,0,0,1,1,0|1,0,1]=4 254 B11R2.10 N1C2=CC=CC=C2N=C1C M1656 [0,0,0,1,1,0|2,0,0]=4 255 B11R2.10 O=C1CC2=C(C=CC=C2)N1 O2191 [0,0,0,1,1,0|1,0,0]=3 256 B11R2.10 O=C1CC2=CN=CC=C2N1 A12570 [0,0,0,1,1,0|2,0,0]=4 257 B11R2.10 O=C1NC2=C(C=CC=N2)O1 O5431 [0,0,0,1,1,0|2,0,0]=4 258 B11R2.10 O=C1NC2=C(C=CC=N2)O1 O5431 [0,0,0,1,1,0|2,0,0]=4 259 B11R2.10 O=C1NC2=CC=CC=C2N1 D11101 [0,0,0,1,1,0|2,0,0]=4 260 B11R2.10 O=C1NC2=CC=CC=C2O1 B0351 [0,0,0,1,1,0|1,0,0]=3 261 B11R2.10 O=C1NC2=CC=CC=C2S1 B13424 [0,0,0,1,1,0|1,1,0]=4 262 B11R2.10 SC1=NC2=C(C=CC=C2)O1 B5423 [0,0,0,1,1,0|1,1,0]=4 263 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 P1318 [0,0,0,1,0,1|2,0,0]=4 264 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [0,0,0,1,0,1|1,0,0]=3 265 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,0,1|1,0,0]=3 266 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,1,0,1|1,0,0]=3 267 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 P8185 [0,0,0,1,0,1|1,1,0]=4 268 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 P8186 [0,0,0,1,0,1|1,1,0]=4 269 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 A7482 [0,0,0,1,0,1|1,0,1]=4 270 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 A17995 [0,0,0,1,0,1|2,0,0]=4 271 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T7513 [0,0,0,1,0,1|2,0,0]=4 272 B13R2.163 O=C1CCSC2=CC=CC=C2N1 D17032 [0,0,0,1,0,1|2,0,0]=4 273 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [0,0,0,1,0,1|0,0,2]=4 274 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B4759 [0,0,0,1,0,1|0,0,2]=4 275 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B4758 [0,0,0,1,0,1|0,0,2]=4 276 B13R2.155 NC1=CC2=C(C=C1)CCC(=O)N2 A18131 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 H2958 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 H2958 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.33 O=C1C=CC2=CC=CC=C2CN1 D17473 [0,1,0,1,0,0|1,0,1]=4 280 B13R2.33 O=C1CCC2=CC=CC=C2CN1 T17510 [0,1,0,1,0,0|1,0,0]=3 281 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 A17997 [0,1,0,1,0,0|1,0,1]=4 282 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 A7495 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 I7021 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 I4785 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 I7230 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M1949 [0,1,0,1,0,0|1,0,1]=4 287 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 H7527 [0,1,0,1,0,0|0,0,1]=3 288 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 I16602 [0,1,0,1,0,0|1,0,1]=4 289 B13R2.5179 CC1=C2CCC(=O)CC2=CC=C1 M13268 [0,1,0,1,0,0|1,0,0]=3 290 B13R2.5179 O=C1CCC2=C(O)C=CC=C2N1 H4098 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.162 O=C1CCC2=CC=CC(F)=C2N1 F12551 [0,1,0,1,0,0|2,0,0]=4 292 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 M13254 [0,1,0,1,0,0|1,0,0]=3 293 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)C1 B13224 [0,1,0,1,0,0|1,0,0]=3 294 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)N1 B17932 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)C1 C13230 [0,1,0,1,0,0|1,0,0]=3 296 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 F12735 [0,1,0,1,0,0|1,0,0]=3 297 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 H2492 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.6 CC(=O)C1=CN=CC=C1 P2763 [0,0,0,0,2,0|1,0,0]=3 299 B9R1.6 CC(=O)C1=CN=CC=N1 A0581 [0,0,0,0,2,0|2,0,0]=4 300 B9R1.6 CC(=O)C1=NC=CC=C1 A1164 [0,0,0,0,2,0|1,0,0]=3 301 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [0,0,0,0,2,0|1,0,1]=4 302 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [0,0,0,0,2,0|1,0,1]=4 303 B9R1.6 N=C(N)C1=CC=CC=C1 B11293 [0,0,0,0,2,0|2,0,0]=4 304 B9R1.6 N=C(N)C1=CC=CC=C1 B13002 [0,0,0,0,2,0|2,0,0]=4 305 B9R1.6 N=C(N)C1=CC=CC=C1 T1538 [0,0,0,0,2,0|2,0,0]=4 306 B9R1.6 NC(=O)C1=CC=NC=C1 P1409 [0,0,0,0,2,0|2,0,0]=4 307 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [0,0,0,0,2,0|2,0,0]=4 308 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [0,0,0,0,2,0|2,0,0]=4 309 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [0,0,0,0,2,0|2,0,0]=4 310 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [0,0,0,0,2,0|2,0,0]=4 311 B9R1.13 O=C(Cl)CC1=CC=CS1 T0852 [0,0,0,0,2,0|2,0,0]=4 312 B9R1.13 O=C(O)CC1=CC=CS1 T0647 [0,0,0,0,2,0|2,0,0]=4 313 B9R1.13 O=C(O)CC1=COC=C1 F15733 [0,0,0,0,2,0|2,0,0]=4 314 B9R1.13 O=C(O)CC1=CSC=C1 T5371 [0,0,0,0,2,0|2,0,0]=4 315 B13R1.337 N=C(N)CCOCC1=CC=CC=C1 B15807 [0,0,0,0,0,2|2,0,0]=4 316 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,0,0,0,2|1,0,0]=3 317 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 P8178 [0,0,0,0,0,2|1,0,0]=3