0 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,0,0,0,0,0|3,1,0]=4 3 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,0,0,0,0,0|3,1,0]=4 5 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,0,0,0,0,0|3,1,0]=4 6 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [1,0,0,0,0,0|2,1,0]=4 9 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1Cl D38742 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.164 CC(C)COC1=NC=C(Br)C=C1Cl B18461 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 B51571 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Cl)C=C1 D51598 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.164 O=C(O)CCC1=C(Cl)C=C(F)C=C1 C51605 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 D61048 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.201 N[C@H](CC(=O)O)C1=C(Cl)C=CC=C1 A49821 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O A49818 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [0,1,0,0,0,0|2,1,0]=4 21 B13R1.893 O=C(O)CCC1=C(Cl)C=CC(Cl)=C1 D38926 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.435 CN(C)C1=NC2=C(C=CC=C2)N1 D50000 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.3587 BrC1=C(OCC2CC2)C=CC=C1 B5006 [0,0,0,1,0,0|2,1,0]=4 25 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 M52932 [0,0,0,1,0,0|1,0,0]=2 26 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 C64114 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,0,0,0,1,0|2,1,0]=4 28 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,0,0,0,1,0|2,1,0]=4 30 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,0,0,0,1,0|2,1,0]=4 31 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,0,0,0,1,0|3,0,0]=4 35 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [2,0,0,0,0,0|0,1,0]=3 39 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [2,0,0,0,0,0|0,0,0]=2 41 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [2,0,0,0,0,0|0,1,0]=3 42 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [2,0,0,0,0,0|1,1,0]=4 43 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [2,0,0,0,0,0|0,0,2]=4 45 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [2,0,0,0,0,0|0,1,0]=3 47 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [2,0,0,0,0,0|1,1,0]=4 48 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [2,0,0,0,0,0|0,0,0]=2 49 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [2,0,0,0,0,0|1,1,0]=4 51 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [2,0,0,0,0,0|1,1,0]=4 52 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [2,0,0,0,0,0|1,1,0]=4 54 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [2,0,0,0,0,0|1,1,0]=4 55 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [2,0,0,0,0,0|1,1,0]=4 56 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [2,0,0,0,0,0|1,1,0]=4 57 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [2,0,0,0,0,0|1,1,0]=4 59 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [2,0,0,0,0,0|1,1,0]=4 60 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.17 CNCCC1=CC=CN=C1 M46974 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.267 COCOCC1=C(Br)C=CC=C1 B65130 [1,1,0,0,0,0|1,1,0]=4 70 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [1,1,0,0,0,0|0,0,0]=2 82 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 B49851 [0,1,0,0,1,0|0,1,1]=4 83 B12R1.127 CC(C)OC1=C(Cl)C=CC(Br)=C1 B49957 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 B49958 [0,1,0,0,1,0|2,0,0]=4 85 B14R1.5805 CC(C)C[C@](C)(O)C1=C(N)C=CC=C1 A61141 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 D52186 [0,0,1,1,0,0|2,0,0]=4 87 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [0,0,1,1,0,0|2,0,0]=4 88 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [1,0,0,1,0,0|1,0,0]=3 90 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.41 C1=CN=C2CCNCCC2=C1 P59935 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49777 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49781 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [1,0,0,1,0,0|1,1,0]=4 97 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B14751 [1,0,0,1,0,0|0,1,0]=3 98 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B26536 [1,0,0,1,0,0|0,1,0]=3 99 B12R2.1081 ClC1=C2CCCCC2=NC=C1 C49771 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49773 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49780 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.1081 NC1=CC=CC2=C1CCNC2 T50168 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.1081 NC1=CC=CC2=C1CCNC2 T52129 [1,0,0,1,0,0|1,0,0]=3 106 B12R2.1081 O=C1NC=CC2=C1CCNC2 T4210 [1,0,0,1,0,0|2,0,0]=4 107 B12R2.1081 O=C1NC=CC2=C1CCNC2 T49494 [1,0,0,1,0,0|2,0,0]=4 108 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 D15351 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 D10522 [1,0,0,1,0,0|2,0,0]=4 113 B14R2.6175 CC1(C)CCC2=C(C=CC=C2)C1=O D55915 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 T56618 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O M64138 [0,1,0,1,0,0|1,0,1]=4 116 B14R2.4634 ClC1=C(COC2CNC2)C=CC=C1 C37454 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,0,0,1,0|1,0,1]=4 118 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,0,0,0,1,0|2,0,0]=4 119 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,0,0,0,2,0|2,0,0]=4 120 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [0,0,0,0,2,0|1,1,0]=4 121 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [0,0,0,0,2,0|1,1,0]=4 122 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [0,0,0,0,2,0|2,0,0]=4 123 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [0,0,0,0,2,0|2,0,0]=4 124 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [0,0,0,0,2,0|0,1,0]=3 125 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [0,0,0,0,2,0|0,0,0]=2 126 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [0,0,0,0,2,0|1,0,0]=3 127 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [0,0,0,0,2,0|1,0,0]=3 128 B10R1.61 CN(C)C1=NC=CN=C1Cl C43272 [0,0,0,0,2,0|2,0,0]=4 129 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [0,0,0,0,2,0|2,0,0]=4 131 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [0,0,0,0,2,0|2,0,0]=4 132 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [0,0,0,0,2,0|2,0,0]=4