0 B13R2.1069 NC1=CC=C(OC2COC2)C=C1 O8510 [0,0,0,0,0,0|0,0,0]=0 1 B13R2.1069 NC1=CN=C(OC2COC2)C=C1 O8511 [0,0,0,0,0,0|1,0,0]=1 2 B13R2.1069 NC1=CN=C(OC2COC2)N=C1 O8512 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [1,0,0,0,0,0|1,0,0]=2 4 B14R2.331 NCC1=CC=C(OC2COC2)C=C1 O8504 [0,1,0,0,0,0|0,0,0]=1 5 B14R2.331 NCC1=CN=C(OC2CCC2)C=C1 C53039 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.947 CC1=CC=C(O[C@H]2C[C@H](N)C2)C=C1 C20740 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.10606 N[C@H](C1=CC=C(Br)C=C1)C2CCC2 B54729 [0,1,0,0,0,0|3,0,0]=4 8 B14R2.30090 NC1=CC(F)=C(OC2COC2)C=C1 F8553 [0,1,0,0,0,0|0,0,0]=1 9 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [0,0,1,0,0,0|3,0,0]=4 10 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.1 COCCOC1=CC=C(Br)C=C1 B36726 [0,0,1,0,0,0|1,0,0]=2 12 B12R1.1 COCCOC1=CC=C(N)C=C1 M50360 [0,0,1,0,0,0|0,0,0]=1 13 B12R1.1 COCCOC1=NC=C(N)N=C1 M43755 [0,0,1,0,0,0|2,0,0]=3 14 B12R1.1 CSCCOC1=CN=C(N)N=C1 M43763 [0,0,1,0,0,0|2,1,0]=4 15 B12R1.1 FC1=CC=C(OCCCCl)C=C1 C68838 [0,0,1,0,0,0|3,0,0]=4 16 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 B51509 [0,0,1,0,0,0|3,0,0]=4 17 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,0,1,0,0,0|3,0,0]=4 19 B12R2.294 BrC1=CN=C(OC2CC2)C=C1 B32064 [0,0,0,0,1,0|2,0,0]=3 20 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [0,0,0,0,1,0|1,0,0]=2 21 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [0,0,0,0,1,0|0,0,0]=1 22 B14R2.72 FC1=CC=C(O[C@H]2CCNC2)C=C1 F54135 [0,0,0,0,0,1|2,0,0]=3 23 B14R2.72 FC1=CC=C(S[C@H]2CCNC2)C=C1 F54133 [0,0,0,0,0,1|2,1,0]=4 24 B14R2.10626 BrC1=CC=C(CNC2COC2)C=C1 B8536 [0,0,0,0,0,1|2,0,0]=3 25 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.1 COCOC1=CN=C(Cl)C=C1 C46141 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C49149 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.1 FC1=CC=C(OCCBr)C=C1 B49139 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.1 NCCOC1=CC=C(F)C=C1 F46812 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.1 NCCOC1=CC=C(F)C=C1 F49512 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [1,0,1,0,0,0|0,0,2]=4 40 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [1,0,1,0,0,0|0,0,0]=2 43 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,0,1,0,0,0|1,0,0]=3 44 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [1,0,1,0,0,0|1,0,0]=3 47 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [1,0,1,0,0,0|1,1,0]=4 49 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.20 NC1=CC=C(OC(F)F)C=C1 D45886 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,0,1,0,0,0|2,0,0]=4 57 B13R1.9 CCCCCCC1=CC=C(N)C=C1 H56227 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.9 CCCCCOC1=CC=C(O)C=C1 P54954 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M38944 [0,1,1,0,0,0|1,0,1]=4 60 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M54163 [0,1,1,0,0,0|1,0,1]=4 61 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 M51987 [0,1,1,0,0,0|1,0,1]=4 62 B13R1.371 CCCCOC1=CC=C(C=O)C=C1 B54763 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.371 CCCCOC1=CC=C(CO)C=C1 B54956 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.513 CC1=CC=C(OCCN(C)C)C=C1 D54992 [0,1,1,0,0,0|2,0,0]=4 65 B13R1.21 NC1=CC=C([C@H](O)[C@@H](N)CO)C=C1 A50405 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H69720 [0,1,1,0,0,0|1,0,1]=4 67 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13335 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.221 NC1(CC2=CC=CC=C2)COC1 B10930 [1,1,0,0,0,0|1,0,0]=3 69 B13R2.5225 NC1=CC=CN=C1OC2COC2 O8513 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 C55483 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55481 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55484 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 C62224 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.148 NC1(CC2=CC=C(O)C=C2)CC1 A52924 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.520 N[C@@H](C1=CC=C(F)C=C1)C2CC2 C54126 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.520 N[C@H](C1=CC=C(Br)C=C1)C2CC2 B52724 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.520 N[C@H](C1=CC=C(F)C=C1)C2CC2 C63731 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 B54044 [0,1,0,0,1,0|2,0,0]=4 79 B13R2.520 O=C(C1=CC=C(O)C=C1)C2CC2 C64010 [0,1,0,0,1,0|2,0,0]=4 80 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 C13101 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.2986 CC1(C2=CC=C(Br)C=C2)COC1 B11912 [0,1,0,0,1,0|1,0,0]=3 82 B13R2.2986 CC1(C2=CC=C(N)C=C2)COC1 M17694 [0,1,0,0,1,0|0,0,0]=2 83 B13R2.2986 CC1=CC=C(C2(N)COC2)C=C1 M8505 [0,1,0,0,1,0|1,0,0]=3 84 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 B37588 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 B31601 [0,1,0,0,1,0|1,0,0]=3 86 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 B8448 [0,1,0,0,1,0|1,0,0]=3 87 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)COC1 C8533 [0,1,0,0,1,0|1,0,0]=3 88 B13R2.2986 NC1(C2=CC=C(I)C=C2)COC1 I8587 [0,1,0,0,1,0|1,0,0]=3 89 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CCC1 B52667 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 B6659 [0,1,0,0,1,0|1,0,0]=3 91 B13R2.2986 OC1(C2=NC=C(Br)C=C2)COC1 B48915 [0,1,0,0,1,0|2,0,0]=4 92 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A52696 [0,1,0,0,0,1|1,0,1]=4 93 B15R2.1510 N[C@H]1COC[C@H]1OC2=CC=C(Br)C=C2 B60169 [0,1,0,0,0,1|1,0,0]=3 94 B15R2.432 COC1=CC=C(O[C@H]2C[C@H](N)C2)C=C1 C20726 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.16219 O=[N+]([O-])C1=CC=C(OC2COC2)C=C1 N8509 [0,2,0,0,0,0|0,0,1]=3 96 B15R2.91950 N#CC1=CC(F)=C(OC2COC2)C=C1 F8528 [0,2,0,0,0,0|0,0,1]=3 97 B15R2.91950 NCC1=CC(F)=C(OC2COC2)C=C1 F8551 [0,2,0,0,0,0|0,0,0]=2 98 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 P53027 [0,0,1,1,0,0|2,0,0]=4 99 B13R2.3729 NC1=CC2=C(C=C1)OCCCO2 D50076 [0,0,1,1,0,0|2,0,0]=4 100 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [0,0,1,0,1,0|2,0,0]=4 101 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,0,1,0,1,0|2,0,0]=4 102 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,0,1,0,1,0|2,0,0]=4 103 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [0,0,1,0,1,0|2,0,0]=4 104 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [0,0,1,0,1,0|2,0,0]=4 105 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [0,0,1,0,1,0|2,0,0]=4 106 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [0,0,1,0,1,0|2,0,0]=4 107 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [0,0,1,0,1,0|2,0,0]=4 108 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [0,0,1,0,1,0|2,0,0]=4 109 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [0,0,1,0,1,0|2,0,0]=4 110 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [0,0,1,0,1,0|2,0,0]=4 111 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [0,0,1,0,1,0|2,0,0]=4 112 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [0,0,1,0,1,0|2,0,0]=4 113 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [0,0,1,0,1,0|2,0,0]=4 114 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [0,0,1,0,1,0|2,0,0]=4 115 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [0,0,1,0,1,0|2,0,0]=4 116 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [1,0,0,0,1,0|2,0,0]=4 117 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [0,0,0,0,2,0|1,0,0]=3 118 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [0,0,0,0,2,0|2,0,0]=4 119 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [0,0,0,0,2,0|2,0,0]=4 120 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [0,0,0,0,2,0|1,0,0]=3 121 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [0,0,0,0,2,0|2,0,0]=4 122 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [0,0,0,0,2,0|0,0,0]=2 123 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [0,0,0,0,2,0|1,0,0]=3 124 B11R2.34 NC1=CN=C(C2CC2)N=C1 A14646 [0,0,0,0,2,0|2,0,0]=4 125 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [0,0,0,0,2,0|1,0,0]=3 126 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [0,0,0,0,2,0|1,0,0]=3 127 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [0,0,0,0,2,0|2,0,0]=4 128 B11R2.352 NC1=CN(C2COC2)N=C1 O8539 [0,0,0,0,2,0|2,0,0]=4 129 B11R2.352 NC1=NNC(C2COC2)=C1 X59630 [0,0,0,0,2,0|2,0,0]=4 130 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 B56557 [1,0,0,0,0,1|1,0,0]=3 131 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 B67749 [1,0,0,0,0,1|1,0,0]=3 132 B15R2.29 BrC1=CC=C(OC2CCNCC2)C=C1 B54750 [0,0,0,0,0,2|2,0,0]=4 133 B15R2.29 NC1=CC=C(CN2CCOCC2)C=C1 M54917 [0,0,0,0,0,2|2,0,0]=4 134 B15R2.29 NC1=CC=C(OC2CCCCC2)C=C1 C56134 [0,0,0,0,0,2|1,0,0]=3 135 B15R2.29 NC1=CC=C(OC2CCOCC2)C=C1 T54869 [0,0,0,0,0,2|0,0,0]=2