0 B12R1.21 C=C(C)COC1=CC=C(Br)C=C1 CS-0911945 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 CS-0324353 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 CC(N)CCC1=CC=C(O)C=C1 CS-0453287 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 CS-0137242 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.21 NC(=O)CNC1=CC=C(F)C=C1 CS-0927443 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 CS-0199636 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 O=C(O)CCC1=CC=C(Cl)N=C1 CS-0470798 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.21 O=C(O)CCC1=NC=C(Br)C=C1 CS-0590100 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 CS-0201679 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.21 O=C(O)COC1=CN=C(Cl)C=C1 CS-0565814 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 CS-0231177 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.21 O=C(O)COC1=NC=C(F)C=C1 CS-0609163 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.1 C=CCOC1=CC=C(I)C=C1 CS-0583969 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.1 CNCCC1=CC=C(O)C=C1 CS-0209581 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.1 COCOC1=CC=C(Cl)C=C1 CS-0193630 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.1 FC1=CC=C(CCCI)C=C1 CS-0161806 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 NC(=O)NNC1=CC=CC=C1 CS-0325443 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-0059288 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS-W018211 [1,0,0,0,0,0|1,0,2]=4 19 B13R1.3 C#CC1=CC=C(CCC(=O)O)C=C1 CS-0373286 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.3 COC1=CC=C(CCC(=O)O)C=N1 CS-0037812 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.3 COC1=CC=C(CCC(N)=O)C=C1 CS-0660909 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.3 O=C(O)CCC1=CC=C(CO)C=C1 CS-0379577 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 CS-0210314 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 CS-W015691 [0,1,0,0,0,0|1,0,2]=4 25 B13R1.14 O=C(COC1=CC=C(Cl)C=C1)O[Na] CS-0138152 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 CS-0697726 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 CS-0158123 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.132 O=C(O)CC(=O)C1=CC=C(F)C=C1 CS-0372608 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.132 O=C(O)CC(O)C1=CC=C(Cl)C=C1 CS-0221826 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O CS-4900 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(O)C=C1 CS-0119804 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.164 CC1=C(CCC(=O)O)C=CC(Br)=C1 CS-0660486 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.164 O=C(O)CCC1=C(Br)C=C(Cl)C=C1 CS-0669520 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.511 NC(=O)CCC1=CC=C(F)C(F)=C1 CS-0257757 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.511 O=C(O)CSC1=CC=C(F)C(F)=C1 CS-0234485 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)N1 CS-0263996 [0,0,0,1,0,0|2,0,0]=3 37 B13R2.155 NC1CCC2=CC=C(Br)C=C2C1 CS-0157266 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.155 O=C1CCC2=NC=C(Br)C=C2N1 CS-0474034 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.155 O=C1COC2=CC=C(I)C=C2N1 CS-0609045 [0,0,0,1,0,0|3,0,0]=4 40 B13R2.155 O=C1NC2=CC(Br)=CC=C2CO1 CS-0130409 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.155 OC1=CC2=C(C=C1)CCC(O)C2 CS-0644228 [0,0,0,1,0,0|0,0,2]=3 42 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CS-W018180 [0,0,0,0,1,0|1,0,1]=3 43 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 CS-0063380 [0,0,0,0,1,0|2,0,0]=3 44 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS-0042104 [0,0,0,0,1,0|3,0,0]=4 45 B11R1.20 CC(=O)SC1=CC=C(I)C=C1 CS-1050905 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 CS-0643411 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.75 CC1=CC=C(CCC(=O)O)O1 CS-0218022 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.75 CC1=CC=C(CCC(=O)O)S1 CS-0035984 [0,0,0,0,1,0|3,0,0]=4 49 B10R1.1 CCCC1=CC=C(Cl)C=C1 CS-0319886 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.1 CCNC1=CC=C(Cl)C=C1 CS-0206425 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.1 CCNC1=CC=C(F)C=C1 CS-0030070 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.1 CCCCCC1=CC=C(F)C=C1 CS-0323802 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.16 CCC[C@@H](N)C1=CC=C(Br)C=C1 CS-0884871 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.16 COCC(N)C1=CC=C(Cl)C=C1 CS-0214704 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.16 COCC(N)C1=CC=C(F)C=C1 CS-0217978 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.16 COC[C@@H](N)C1=CC=C(Br)C=C1 CS-0537453 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.71 COCCC1=CC=C(CO)C=C1 CS-0354972 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.27 COC(=O)CCC1=CN=CN=C1 CS-0239574 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.27 NCC(=O)NCC1=CC=CC=C1 CS-0186551 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O CS-0275884 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CS-0644493 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CS-0170843 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 CS-0719299 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CS-0155844 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O CS-0156817 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 CS-0308399 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.107 CC(C)C[C@@H](N)C1=CC=CC=C1 CS-0154320 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.125 CC(O)CCC1=CC=CC=C1F CS-0278602 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.125 NC(=O)CCC1=CC=CC=C1Br CS-0453718 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.226 CC1=CN=CC(CCC(=O)O)=C1 CS-0443334 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.226 O=C(O)CCC1=CC(Br)=NC=C1 CS-0647953 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.226 O=C(O)CCC1=CC(Cl)=NC=C1 CS-0892945 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.226 O=C(O)COC1=CC=CC(O)=C1 CS-0237541 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.891 CS(=O)(=O)OCC1=CC=CC=C1 CS-0099481 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.4 CCC1=CC=C(OC(C)=O)C=C1 CS-0152509 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS-W002265 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 CS-0059228 [0,1,0,0,1,0|1,0,0]=3 80 B12R1.20 CC1=CC=C(C(F)C(=O)O)C=C1 CS-0104543 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 CS-0498848 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.20 O=C(O)C(F)C1=CC=C(Br)C=C1 CS-0616234 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.20 O=C(O)C(F)C1=CC=C(F)C=C1 CS-0308285 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 CS-0059151 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 CS-W016914 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(F)C=C1 CS-0634627 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(F)C=C1 CS-0043796 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.106 CP(C)(=O)CC1=CC=C(Br)C=C1 CS-0891584 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.106 CS(=O)(=O)NC1=CC=C(O)C=C1 CS-0116400 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.233 CC1=CC(Br)=CC=C1CC(N)=O CS-0926580 [0,1,0,0,1,0|2,0,0]=4 91 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS-W005090 [0,1,0,0,1,0|2,0,0]=4 92 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 CS-0321558 [0,1,0,0,0,1|1,0,0]=3 93 B14R1.4464 O=C(O)CCCC1=C(Cl)C=C(F)C=C1 CS-0864905 [0,1,0,0,0,1|2,0,0]=4 94 B14R1.2 CCC1=CC=C(C(C)CC(=O)O)C=C1 CS-0262252 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.2 COC1=CC=C(C(O)CC(=O)O)C=C1 CS-0511249 [0,2,0,0,0,0|1,0,0]=3 96 B14R1.2 N#CC1=CC=C([C@H](N)CC(=O)O)C=C1 CS-0157634 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.3 COC1=CC=C(NC(C)C(=O)O)C=C1 CS-0700908 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.3 N[C@@H](CC1=CC=C(CO)C=C1)C(=O)O CS-0962446 [0,2,0,0,0,0|1,0,0]=3 99 B14R1.5 COC1=CC=C(COC(=O)NN)C=C1 CS-0315085 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.103 COC1=CC(Br)=C(CCC(=O)O)C=C1 CS-0684502 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.419 CC(C)C1=CC=C(CCC(N)=O)C=C1 CS-0261577 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.419 NC(=O)NCC1=CC=C(C(=O)O)C=C1 CS-0234148 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.3653 COC1=CC=C(CCC(C)=O)C=C1Br CS-0275944 [0,2,0,0,0,0|0,0,0]=2 104 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 CS-0067987 [0,2,0,0,0,0|1,0,1]=4 105 B14R1.10 COC(=O)CC(=O)C1=CC=C(O)C=C1 CS-0302064 [0,2,0,0,0,0|0,0,1]=3 106 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 CS-0172518 [0,2,0,0,0,0|1,0,0]=3 107 B14R1.10 COC(=O)CC(O)C1=CC=C(Cl)C=C1 CS-0626393 [0,2,0,0,0,0|1,0,0]=3 108 B14R1.134 COC(=O)C(C)OC1=CC=C(N)C=C1 CS-1227921 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Br)C=C1 CS-0679157 [0,2,0,0,0,0|2,0,0]=4 110 B14R1.134 COC(=O)[C@H](Br)CC1=CC=C(F)C=C1 CS-0638183 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(N)C=C1 CS-0158626 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 CS-0061625 [0,2,0,0,0,0|1,0,0]=3 113 B14R1.502 CCOC(=O)CCC1=CC=C(F)N=C1 CS-0469157 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.833 COC(=O)CCC1=CC(O)=C(O)C=C1 CS-0571760 [0,2,0,0,0,0|0,0,0]=2 115 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(Cl)C=C1 CS-0273014 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.6048 NC(CC(=O)O)C1=CC=C(Cl)C=C1Cl CS-0021852 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.686 CC(CC1=CC(O)=C(O)C=C1)C(=O)O CS-0233330 [0,2,0,0,0,0|1,0,0]=3 118 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O CS-0011206 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.6036 CC1=CC(C)=C(C)C=C1CCC(=O)O CS-1101386 [0,2,0,0,0,0|2,0,0]=4 120 B14R1.42 COC1=C(Br)C=CC(CCC(=O)O)=C1 CS-0749854 [0,2,0,0,0,0|2,0,0]=4 121 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1Cl CS-0908619 [0,2,0,0,0,0|2,0,0]=4 122 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 CS-0663566 [1,0,0,1,0,0|1,0,1]=4 123 B12R2.24 NC1=CC=C2CCOCC2=C1 CS-0542520 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.24 OC1=CC=C2CCCOC2=C1 CS-0173218 [1,0,0,1,0,0|0,0,2]=4 125 B12R2.24 OC1=CC=C2CCOCC2=C1 CS-0615956 [1,0,0,1,0,0|1,0,0]=3 126 B12R2.24 OC1=CN=C2CCNCC2=C1 CS-0171607 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.294 BrC1=CC=C(CC2CO2)C=C1 CS-0638484 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 CS-0051750 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 CS-0057767 [1,0,0,1,0,0|2,0,0]=4 130 B12R2.22 OC1CC(C2=CC=CC=C2)C1 CS-0480869 [1,0,0,1,0,0|0,0,2]=4 131 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS-W021726 [0,0,0,1,1,0|2,0,0]=4 132 B12R2.606 O=C1CC2=CC(Br)=CC=C2O1 CS-0309366 [0,0,0,1,1,0|2,0,0]=4 133 B12R2.606 O=C1CC2=CC(Cl)=CC=C2O1 CS-0166883 [0,0,0,1,1,0|2,0,0]=4 134 B14R2.20 NC1=CC=C(C2CCC(=O)N2)C=C1 CS-0972029 [0,0,0,1,0,1|2,0,0]=4 135 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)C1 CS-0309887 [0,0,0,1,0,1|1,0,0]=3 136 B14R2.20 O=C1NCC(C2=CC=C(Br)C=C2)O1 CS-0037601 [0,0,0,1,0,1|2,0,0]=4 137 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 CS-0612168 [0,0,0,1,0,1|2,0,0]=4 138 B14R2.380 O=C1CCCC2=CC=C(Br)C=C2C1 CS-0131429 [0,0,0,1,0,1|1,0,0]=3 139 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(Br)C=C2 CS-0197883 [0,0,0,1,0,1|2,0,0]=4 140 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 CS-0047731 [0,0,0,1,0,1|2,0,0]=4 141 B14R2.27 COC1=CC=C(C2CC(=O)C2)C=C1 CS-0216456 [0,1,0,1,0,0|0,0,0]=2 142 B14R2.134 O=C1CCC2=C(C=C(CO)C=C2)N1 CS-0066693 [0,1,0,1,0,0|1,0,0]=3 143 B14R2.8239 NC1=CC2=C(C=C1F)NC(=O)CC2 CS-0102399 [0,1,0,1,0,0|2,0,0]=4 144 B14R2.8239 NC1CCC2=CC(O)=C(O)C=C2C1 CS-0169687 [0,1,0,1,0,0|1,0,1]=4 145 B14R2.8239 O=C1CCC2=C(C=C(Cl)C(Cl)=C2)C1 CS-B0113 [0,1,0,1,0,0|1,0,0]=3 146 B10R1.18 NC(=S)CC1=CC=CC=C1 CS-0206469 [1,0,0,0,1,0|1,1,0]=4 147 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-0037689 [0,0,0,0,2,0|2,0,0]=4 149 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [0,0,0,0,2,0|1,0,1]=4 150 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,0,0,0,2,0|2,0,0]=4 151 B12R1.252 CC(=O)COCC1=CC=CC=C1 CS-0171649 [1,0,0,0,0,1|0,0,0]=2 152 B12R1.252 CC(Br)COCC1=CC=CC=C1 CS-0753941 [1,0,0,0,0,1|1,0,1]=4 153 B12R1.252 O=C(O)CSCC1=CC=CC=N1 CS-0250155 [1,0,0,0,0,1|2,0,0]=4 154 B12R1.252 O=C(O)CSCC1=CC=CN=C1 CS-0247879 [1,0,0,0,0,1|2,0,0]=4 155 B12R1.252 O=C(O)CSCC1=CC=NC=C1 CS-0250156 [1,0,0,0,0,1|2,0,0]=4 156 B12R1.252 O=C(O)\C=C\CC1=CC=CC=C1 CS-0269761 [1,0,0,0,0,1|1,0,1]=4