0 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.30 NCCNC(=O)C1=CN=CC=C1 A64779 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.30 O=C(NCCO)C1=NC=CC=C1 H46674 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.16 CCOC(=N)C1=CC=NC=C1 E46648 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 CCOC(=O)C1=CC=NC=C1 E69401 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.16 CCOC(=O)C1=CN=NC=C1 E23449 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.16 CCOC(=O)C1=NC=CC=N1 E46004 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.16 CCOC(=O)C1=NC=NC=C1 E46000 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.16 N#CCC(=O)C1=CC=NC=C1 X47870 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.16 N#CCC(=O)C1=CN=CC=C1 X67552 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.16 N#CCC(=O)C1=NC=CC=C1 X0968 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [1,0,0,0,0,0|1,0,2]=4 36 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,0,0,0,0,0|0,0,3]=4 40 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,0,0,0,0,0|0,0,3]=4 41 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,0,0,0,0,0|1,0,1]=3 50 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 B54688 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.17 CCCCC(=O)C1=CC=C(C)C=C1 T56075 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 C39653 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 H39654 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 C52497 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 C39593 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.17 O=C(CCCCl)C1=CC=C(O)C=C1 C52637 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.18 O=C(CCCCl)C1=CC(Br)=CN=C1 B66685 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H56071 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 D54632 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 B2755 [0,1,0,0,0,0|1,0,1]=3 62 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 E15017 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.122 C#CCOS(=O)(=O)C1=CC=CC=C1 P24560 [0,1,0,0,0,0|1,0,2]=4 64 B13R1.122 CCCOS(=O)(=O)C1=CC=CC=C1 P50300 [0,1,0,0,0,0|1,0,0]=2 65 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 P0629 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C68848 [0,0,0,1,0,0|2,0,1]=4 67 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 P68812 [0,0,0,1,0,0|0,2,1]=4 68 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 P54820 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 P9416 [0,0,0,1,0,0|2,0,1]=4 70 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 P54819 [0,0,0,1,0,0|2,0,1]=4 71 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 P52921 [0,0,0,1,0,0|2,0,1]=4 72 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.371 C[C@H]1CCC(=O)C2=C1C=CC=C2 M54548 [0,0,0,1,0,0|1,0,0]=2 74 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 H69542 [0,0,0,1,0,0|2,0,0]=3 75 B13R2.371 O=C1CNC(=O)C2=C1C=CC=C2 D51185 [0,0,0,1,0,0|2,0,1]=4 76 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C50991 [0,0,0,1,0,0|1,0,1]=3 77 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 M28000 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.2931 N#C[IH2]1OC(=O)C2=C1C=CC=C2 X7072 [0,0,0,1,0,0|2,0,1]=4 79 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 T16671 [0,0,0,1,0,0|2,0,0]=3 80 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 D64500 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 T52555 [0,0,0,1,0,0|1,0,0]=2 82 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 D69503 [0,0,0,1,0,0|2,0,0]=3 83 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 C55483 [0,0,0,1,0,0|2,0,1]=4 84 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55481 [0,0,0,1,0,0|2,0,1]=4 85 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55484 [0,0,0,1,0,0|2,0,1]=4 86 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 C62224 [0,0,0,1,0,0|1,0,0]=2 87 B11R1.29 CNCCC(=O)C1=CC=CS1 M49532 [0,0,0,0,1,0|3,0,0]=4 88 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 A52450 [0,0,0,0,0,1|0,0,2]=3 89 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,1]=4 110 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [2,0,0,0,0,0|1,0,0]=3 111 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [2,0,0,0,0,0|0,0,2]=4 112 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|0,0,0]=2 115 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|0,0,1]=3 117 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [2,0,0,0,0,0|1,1,0]=4 119 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.17 NCCNC1=CC=CC=C1 P61733 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.17 NCCOC1=CC=CC=C1 P46889 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.17 NCCOC1=CC=NC=C1 P46588 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.17 NCCOC1=NC=CC=C1 P43633 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,1]=4 125 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C68955 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [1,1,0,0,0,0|0,0,0]=2 127 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [1,1,0,0,0,0|0,0,0]=2 128 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 C49858 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 E69403 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 E68949 [1,1,0,0,0,0|0,0,0]=2 132 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E69037 [1,1,0,0,0,0|0,0,0]=2 133 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E39579 [1,1,0,0,0,0|0,0,0]=2 134 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 E48903 [1,1,0,0,0,0|1,0,0]=3 135 B12R1.16 CCOC(=O)C1=CN=C(Br)N=C1 E45639 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 E10450 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 E7684 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E39503 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 E11018 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E3775 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 E24339 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 E49308 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.16 CCOC(=O)C1=CN=C(O)N=C1 E46039 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 E38711 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 E45640 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 E50035 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.16 CCOC(=O)C1=NC=C(C)N=C1 E46680 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 E48935 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 E17739 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 E37999 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 E45662 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.16 CCOC(=O)C1=NN=C(N)C=C1 E9092 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [1,1,0,0,0,0|1,0,0]=3 154 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 B50922 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 C50928 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 F50951 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B51653 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 C51659 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 E49117 [1,1,0,0,0,0|1,0,0]=3 160 B12R1.17 CCOC(=O)C1=CC(=O)N=CN1 E9424 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 E48906 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 E62072 [1,1,0,0,0,0|1,0,0]=3 163 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 E48953 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 E7681 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.17 CCOC(=O)C1=CC(Cl)=NN=C1 E45663 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 E64578 [1,1,0,0,0,0|0,0,0]=2 167 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 E46664 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 E39534 [1,1,0,0,0,0|0,0,0]=2 169 B12R1.17 CCOC(=O)C1=CC=CC(Br)=C1 E51874 [1,1,0,0,0,0|0,0,0]=2 170 B12R1.17 CCOC(=O)C1=CC=CC(Br)=N1 E48924 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 E51913 [1,1,0,0,0,0|0,0,0]=2 172 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=N1 E48936 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.17 CCOC(=O)C1=CC=CC(I)=C1 E39580 [1,1,0,0,0,0|0,0,0]=2 174 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 E37478 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.17 CCOC(=O)C1=CC=NC(Cl)=N1 E45660 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.17 CCOC(=O)C1=CN=CC(C)=C1 E50034 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 E45658 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 E49307 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.17 CCOC(=O)C1=NC(C)=CC=N1 E37556 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 E32237 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.17 CCOC(=O)C1=NC(N)=CC=N1 E46348 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 E61742 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 E48902 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.17 CCOC(=O)C1=NC=CC(Cl)=C1 E48934 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.17 CCOC(=O)C1=NC=CC(N)=C1 E15648 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.17 N#CCC(=O)C1=CC=CC(Br)=C1 B63084 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.17 N#CCC(=O)C1=CC=CC(Cl)=C1 C50941 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 E46851 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C65009 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [1,1,0,0,0,0|0,0,1]=3 193 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [1,1,0,0,0,0|0,0,0]=2 197 B12R1.308 CCOC(=O)C1=C(Br)C=CC=N1 E48901 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 M12679 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 E50033 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 E16600 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 E14645 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.308 CCOC(=O)C1=C(Cl)C=NC=C1 E48937 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 E51932 [1,1,0,0,0,0|0,0,0]=2 204 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 E51956 [1,1,0,0,0,0|0,0,0]=2 205 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 E46678 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 E7576 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.308 CCOC(=O)C1=C(N)N=CN=C1 E46349 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46040 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46041 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.308 CCOC(=O)C1=CC=CN=C1Br E38351 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E39502 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.308 CCOC(=O)C1=CC=NNC1=O E62071 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl E45661 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.308 CCOC(=O)C1=NC=CC=C1C E24419 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.308 CCOC(=O)C1=NC=CC=C1N E46661 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl E45657 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.308 CCOC(=O)C1=NN=CC=C1C M14117 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [1,1,0,0,0,0|1,0,0]=3 219 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [1,1,0,0,0,0|1,0,1]=4 220 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [1,1,0,0,0,0|1,0,1]=4 221 B12R1.8 BrCCCCOC1=CC=CC=C1 B53012 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [1,1,0,0,0,0|0,0,1]=3 223 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [1,1,0,0,0,0|0,0,1]=3 225 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [1,1,0,0,0,0|0,0,2]=4 226 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [1,1,0,0,0,0|0,0,1]=3 228 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [1,1,0,0,0,0|1,0,1]=4 229 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [1,1,0,0,0,0|1,0,1]=4 230 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,1,0,0,0,0|0,0,2]=4 231 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,1,0,0,0,0|0,0,1]=3 232 B12R1.267 COCOCC1=C(Br)C=CC=C1 B65130 [1,1,0,0,0,0|1,0,1]=4 233 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 T57110 [0,2,0,0,0,0|1,0,0]=3 234 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C56016 [0,2,0,0,0,0|1,0,0]=3 235 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 E22198 [0,2,0,0,0,0|2,0,0]=4 236 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C)C=C1 E54571 [0,2,0,0,0,0|2,0,0]=4 237 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 E54025 [0,2,0,0,0,0|2,0,0]=4 238 B14R1.35 CCOC(=O)C(=O)C1=CC=C(O)C=C1 E52483 [0,2,0,0,0,0|2,0,0]=4 239 B14R1.125 CC1=CC=C(S(=O)(=O)OCCF)C=C1 F67766 [0,2,0,0,0,0|2,0,0]=4 240 B14R1.125 CCCOS(=O)(=O)C1=CC=C(C)C=C1 P39616 [0,2,0,0,0,0|1,0,0]=3 241 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 D55512 [0,2,0,0,0,0|2,0,0]=4 242 B14R1.941 C=CCOC(=O)C1=CC(N)=C(F)C=C1 A52371 [0,2,0,0,0,0|0,0,2]=4 243 B14R1.941 CCCCC(=O)C1=CC(O)=C(O)C=C1 D54795 [0,2,0,0,0,0|1,0,0]=3 244 B14R1.918 O=C(CCCCl)C1=C(F)C=CC(F)=C1 C67300 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.38 O=C(OCCCCI)C1=CC=CC=C1 I1043 [0,2,0,0,0,0|0,0,0]=2 246 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 X67662 [0,2,0,0,0,0|1,0,1]=4 247 B14R1.540 CC(C)CC=C(C=O)C1=CC=CC=C1 M39706 [0,2,0,0,0,0|1,0,0]=3 248 B14R1.813 C[C@H](O)CNS(=O)(=O)C1=CC=CC=C1 H50380 [0,2,0,0,0,0|2,0,0]=4 249 B14R1.3348 CCOC(=O)C(=O)C1=C(Cl)C=CC=C1 E24590 [0,2,0,0,0,0|2,0,0]=4 250 B14R1.3348 CCOC(=O)C(=O)C1=C(F)C=CC=C1 E54029 [0,2,0,0,0,0|2,0,0]=4 251 B14R1.939 COC1=C(C(=O)NCCBr)C=CC=C1 B66023 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,0,1,1,0,0|2,0,0]=4 253 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 P48813 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [1,0,0,1,0,0|2,0,0]=4 255 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [1,0,0,1,0,0|1,0,1]=4 256 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [1,0,0,1,0,0|1,0,1]=4 257 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [1,0,0,1,0,0|1,0,1]=4 258 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|0,0,2]=4 259 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [1,0,0,1,0,0|1,0,1]=4 260 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [1,0,0,1,0,0|1,0,1]=4 261 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [1,0,0,1,0,0|1,0,1]=4 262 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [1,0,0,1,0,0|1,0,1]=4 263 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [1,0,0,1,0,0|1,0,0]=3 264 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D69568 [1,0,0,1,0,0|1,0,0]=3 265 B12R2.1081 O=C1CCCC2=C1C=NC=C2 D52235 [1,0,0,1,0,0|1,0,0]=3 266 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [1,0,0,1,0,0|1,0,0]=3 267 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [1,0,0,1,0,0|1,0,0]=3 268 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [1,0,0,1,0,0|1,0,0]=3 269 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [1,0,0,1,0,0|2,0,0]=4 270 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [1,0,0,1,0,0|1,0,0]=3 271 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [1,0,0,1,0,0|1,0,0]=3 272 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [1,0,0,1,0,0|1,0,0]=3 273 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [1,0,0,1,0,0|2,0,0]=4 274 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [1,0,0,1,0,0|2,0,0]=4 275 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [1,0,0,1,0,0|2,0,0]=4 276 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [1,0,0,1,0,0|0,0,0]=2 277 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [1,0,0,1,0,0|0,0,2]=4 278 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [1,0,0,1,0,0|2,0,0]=4 280 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [1,0,0,1,0,0|1,0,1]=4 281 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [1,0,0,1,0,0|1,0,0]=3 282 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [1,0,0,1,0,0|1,0,0]=3 283 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [1,0,0,1,0,0|1,0,1]=4 286 B12R2.41 C1=CC2=C(C=C1)NCCCC2 T32455 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.221 C[C@H]1CNC(=O)C2=CC=CN21 M46658 [0,0,0,1,1,0|2,0,0]=4 288 B14R2.24 O=C1CCCCN1C2=CC=CC=C2 P66658 [0,0,0,1,0,1|1,0,0]=3 289 B14R2.24 O=C1CCCC[C@@H]1C2=CC=CC=C2 P55912 [0,0,0,1,0,1|1,0,0]=3 290 B14R2.24 O=C1COCCN1C2=CC=CC=C2 P38229 [0,0,0,1,0,1|2,0,0]=4 291 B14R2.24 O=C1NCCN[C@@H]1C2=CC=CC=C2 P13422 [0,0,0,1,0,1|2,0,0]=4 292 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 P10756 [0,0,0,1,0,1|2,0,0]=4 293 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 P13421 [0,0,0,1,0,1|2,0,0]=4 294 B14R2.68 O[C@H]1CO[C@@H](C2=CC=CC=C2)OC1 P52818 [0,1,0,1,0,0|0,0,2]=4 295 B14R2.8719 NC1=CC2=C(C=C1)C(=O)CCCC2 A54636 [0,1,0,1,0,0|1,0,0]=3 296 B14R2.8719 O=C1CCCOC2=C1C=CC(Br)=C2 B19496 [0,1,0,1,0,0|2,0,0]=4 297 B14R2.8719 O=C1NCCNC2=C1C=CC(Br)=C2 B37013 [0,1,0,1,0,0|2,0,0]=4 298 B14R2.8751 CC1=CC2=C(C=C1)N(C)CCC2=O D54633 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.685 NC1=CC=CC2=C1CCCCC2=O A54635 [0,1,0,1,0,0|1,0,0]=3 300 B14R2.5637 O=C1CCCCC2=C1C=C(Br)C=C2 B54476 [0,1,0,1,0,0|1,0,0]=3 301 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 C15650 [0,1,0,1,0,0|2,0,0]=4 302 B14R2.5637 O=C1CCCOC2=C1C=C(Br)C=C2 B6104 [0,1,0,1,0,0|2,0,0]=4 303 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 C55913 [0,1,0,1,0,0|1,0,0]=3 304 B14R2.114 O=C(C1=CC=CC=C1)[C@H]2CCNC2 P55460 [0,1,0,1,0,0|1,0,0]=3 305 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 D55916 [0,1,0,1,0,0|1,0,0]=3 306 B14R2.29285 C[Si]1(C)CNC(=O)C2=C1C=CC=C2 D61914 [0,1,0,1,0,0|1,1,0]=4 307 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [1,0,0,0,1,0|1,0,0]=3 308 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [1,0,0,0,1,0|2,0,0]=4 309 B10R1.11 CCOC(=O)C1=CN=CN1 E22557 [1,0,0,0,1,0|2,0,0]=4 310 B10R1.11 CCOC(=O)C1=CN=CO1 E10769 [1,0,0,0,1,0|2,0,0]=4 311 B10R1.11 CCOC(=O)C1=CN=CS1 E9760 [1,0,0,0,1,0|2,0,0]=4 312 B10R1.11 CCOC(=O)C1=CNC=C1 E46399 [1,0,0,0,1,0|1,0,0]=3 313 B10R1.11 CCOC(=O)C1=CNN=C1 E8068 [1,0,0,0,1,0|2,0,0]=4 314 B10R1.11 CCOC(=O)C1=COC=C1 E69380 [1,0,0,0,1,0|1,0,0]=3 315 B10R1.11 CCOC(=O)C1=COC=N1 E2170 [1,0,0,0,1,0|2,0,0]=4 316 B10R1.11 CCOC(=O)C1=CON=C1 E8088 [1,0,0,0,1,0|2,0,0]=4 317 B10R1.11 CCOC(=O)C1=CSC=C1 E46245 [1,0,0,0,1,0|1,0,0]=3 318 B10R1.11 CCOC(=O)C1=CSC=N1 E2134 [1,0,0,0,1,0|2,0,0]=4 319 B10R1.11 CCOC(=O)C1=NC=CN1 E23112 [1,0,0,0,1,0|2,0,0]=4 320 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [1,0,0,0,1,0|2,0,0]=4 321 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [1,0,0,0,1,0|2,0,0]=4 322 B10R1.11 CCOC(=O)C1=NNC=C1 E0715 [1,0,0,0,1,0|2,0,0]=4 323 B10R1.11 CCOC(=O)C1=NOC=C1 E7434 [1,0,0,0,1,0|2,0,0]=4 324 B10R1.11 CCOC(=O)N1C=CN=C1 E43219 [1,0,0,0,1,0|2,0,0]=4 325 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 A39675 [0,0,0,0,0,2|0,0,2]=4 326 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 B36901 [0,0,0,0,0,2|2,0,0]=4 327 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 B54180 [0,0,0,0,0,2|2,0,0]=4 328 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 B54663 [0,0,0,0,0,2|2,0,0]=4 329 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 B61831 [0,0,0,0,0,2|2,0,0]=4 330 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 B36632 [0,0,0,0,0,2|2,0,0]=4