0 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 CCOC(=N)C1=CC=NC=C1 E46648 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.16 CCOC(=O)C1=CC=NC=C1 E69401 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.16 CCOC(=O)C1=CN=NC=C1 E23449 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.16 CCOC(=O)C1=NC=CC=N1 E46004 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.16 CCOC(=O)C1=NC=NC=C1 E46000 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.16 CCOC(=O)[C@@H]1CCC=CO1 E25573 [0,0,0,0,0,0|1,0,3]=4 15 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.16 N#CCC(=O)C1=CC=NC=C1 X47870 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.16 N#CCC(=O)C1=CN=CC=C1 X67552 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.16 N#CCC(=O)C1=NC=CC=C1 X0968 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [0,0,0,0,0,0|1,0,0]=1 27 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,0,0,0,0,0|1,0,2]=4 54 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.15 NNC(=O)C1=NC=CC=C1 P43090 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.15 O=C(CBr)C1=NC=CC=N1 B20416 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.15 O=C(CBr)C1=NC=CC=N1 B69489 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.15 O=C(CBr)C1=NC=CN=C1 B42452 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,0,0,0,0,0|0,0,3]=4 74 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,0,0,0,0,0|0,0,1]=2 80 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,0,0,0,0,0|2,0,1]=4 87 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C68955 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [0,1,0,0,0,0|1,0,0]=2 89 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 C49858 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 E69403 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 E68949 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E69037 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E39579 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 E48903 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.16 CCOC(=O)C1=CN=C(Br)N=C1 E45639 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 E10450 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 E7684 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E39503 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 E11018 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E3775 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 E24339 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 E49308 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.16 CCOC(=O)C1=CN=C(O)N=C1 E46039 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 E38711 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 E45640 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 E50035 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.16 CCOC(=O)C1=NC=C(C)N=C1 E46680 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 E48935 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 E17739 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 E37999 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 E45662 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.16 CCOC(=O)C1=NN=C(N)C=C1 E9092 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 B50922 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 C50928 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 F50951 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B51653 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 C51659 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 E49117 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.17 CCOC(=O)C1=CC(=O)N=CN1 E9424 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 E48906 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 E62072 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 E48953 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 E7681 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.17 CCOC(=O)C1=CC(Cl)=NN=C1 E45663 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 E64578 [0,1,0,0,0,0|0,0,0]=1 129 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 E46664 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 E39534 [0,1,0,0,0,0|0,0,0]=1 131 B12R1.17 CCOC(=O)C1=CC=CC(Br)=C1 E51874 [0,1,0,0,0,0|0,0,0]=1 132 B12R1.17 CCOC(=O)C1=CC=CC(Br)=N1 E48924 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 E51913 [0,1,0,0,0,0|0,0,0]=1 134 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=N1 E48936 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.17 CCOC(=O)C1=CC=CC(I)=C1 E39580 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 E37478 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.17 CCOC(=O)C1=CC=NC(Cl)=N1 E45660 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.17 CCOC(=O)C1=CN=CC(C)=C1 E50034 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 E45658 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 E49307 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.17 CCOC(=O)C1=NC(C)=CC=N1 E37556 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 E32237 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.17 CCOC(=O)C1=NC(N)=CC=N1 E46348 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 E61742 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 E48902 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.17 CCOC(=O)C1=NC=CC(Cl)=C1 E48934 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.17 CCOC(=O)C1=NC=CC(N)=C1 E15648 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.17 N#CCC(=O)C1=CC=CC(Br)=C1 B63084 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.17 N#CCC(=O)C1=CC=CC(Cl)=C1 C50941 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [0,1,0,0,0,0|1,0,1]=3 151 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [0,1,0,0,0,0|1,0,0]=2 152 B12R1.30 NCCNC(=O)C1=CN=CC=C1 A64779 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.30 O=C(NCCO)C1=NC=CC=C1 H46674 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 E46851 [0,1,0,0,0,0|1,0,0]=2 160 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C65009 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,0,0|1,0,1]=3 163 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,0,0,0,0|1,0,2]=4 164 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [0,1,0,0,0,0|0,0,0]=1 168 B12R1.308 CCOC(=O)C1=C(Br)C=CC=N1 E48901 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 M12679 [0,1,0,0,0,0|2,0,0]=3 170 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 E50033 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 E16600 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 E14645 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.308 CCOC(=O)C1=C(Cl)C=NC=C1 E48937 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 E51932 [0,1,0,0,0,0|0,0,0]=1 175 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 E51956 [0,1,0,0,0,0|0,0,0]=1 176 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 E46678 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 E7576 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.308 CCOC(=O)C1=C(N)N=CN=C1 E46349 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46040 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46041 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.308 CCOC(=O)C1=CC=CN=C1Br E38351 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E39502 [0,1,0,0,0,0|1,0,0]=2 183 B12R1.308 CCOC(=O)C1=CC=NNC1=O E62071 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl E45661 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.308 CCOC(=O)C1=NC=CC=C1C E24419 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.308 CCOC(=O)C1=NC=CC=C1N E46661 [0,1,0,0,0,0|1,0,0]=2 187 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl E45657 [0,1,0,0,0,0|2,0,0]=3 188 B12R1.308 CCOC(=O)C1=NN=CC=C1C M14117 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [0,1,0,0,0,0|2,0,0]=3 190 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 P48813 [0,0,0,1,0,0|2,0,0]=3 191 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 P68097 [0,0,0,1,0,0|2,0,1]=4 192 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [0,0,0,1,0,0|3,0,0]=4 193 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,0,0,1,0,0|2,0,1]=4 194 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,0,0,1,0,0|2,0,1]=4 195 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,0,0,1,0,0|2,0,1]=4 196 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,0,0,1,0,0|1,0,1]=3 197 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,0,0,1,0,0|2,0,1]=4 198 B12R2.2 C1=CN=C(C2=NCCN2)C=C1 D38796 [0,0,0,1,0,0|3,0,0]=4 199 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [0,0,0,1,0,0|2,0,1]=4 200 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,0,0,1,0,0|2,0,1]=4 201 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,0,0,1,0,0|2,0,1]=4 202 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,0,0,1,0,0|2,0,1]=4 203 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,0,0,1,0,0|2,0,1]=4 204 B12R2.1081 O=C1C=COC2=C1C=CC=C2 C38489 [0,0,0,1,0,0|2,0,1]=4 205 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 C4719 [0,0,0,1,0,0|3,0,0]=4 206 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [0,0,0,1,0,0|2,0,0]=3 207 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D69568 [0,0,0,1,0,0|2,0,0]=3 208 B12R2.1081 O=C1CCCC2=C1C=NC=C2 D52235 [0,0,0,1,0,0|2,0,0]=3 209 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [0,0,0,1,0,0|2,0,0]=3 210 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [0,0,0,1,0,0|2,0,0]=3 211 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [0,0,0,1,0,0|2,0,0]=3 212 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [0,0,0,1,0,0|3,0,0]=4 213 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [0,0,0,1,0,0|2,0,0]=3 214 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [0,0,0,1,0,0|2,0,0]=3 215 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 H10800 [0,0,0,1,0,0|2,0,1]=4 216 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [0,0,0,1,0,0|1,0,0]=2 217 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [0,0,0,1,0,0|2,0,0]=3 218 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [0,0,0,1,0,0|2,0,0]=3 219 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [0,0,0,1,0,0|2,0,0]=3 220 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [0,0,0,1,0,0|0,0,0]=1 221 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,0,0,1,0,0|1,0,2]=4 222 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [0,0,0,1,0,0|3,0,0]=4 223 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 B12796 [0,0,0,1,0,0|3,0,0]=4 224 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 I14462 [0,0,0,1,0,0|3,0,0]=4 225 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,0,0,1,0,0|2,0,0]=3 226 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [0,0,0,1,0,0|2,0,0]=3 227 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [0,0,0,1,0,0|2,0,1]=4 228 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 P15540 [0,0,0,1,0,0|2,0,1]=4 229 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 P15539 [0,0,0,1,0,0|2,0,1]=4 230 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [0,0,0,1,0,0|1,0,0]=2 231 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,0,0,1,0,0|1,0,0]=2 232 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [0,0,0,1,0,0|2,0,0]=3 233 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [0,0,0,1,0,0|2,0,0]=3 234 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 P60753 [0,0,0,1,0,0|2,0,1]=4 235 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [0,0,0,0,1,0|1,0,0]=2 236 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [0,0,0,0,1,0|2,0,0]=3 237 B10R1.11 CCOC(=O)C1=CN=CN1 E22557 [0,0,0,0,1,0|2,0,0]=3 238 B10R1.11 CCOC(=O)C1=CN=CO1 E10769 [0,0,0,0,1,0|2,0,0]=3 239 B10R1.11 CCOC(=O)C1=CN=CS1 E9760 [0,0,0,0,1,0|2,0,0]=3 240 B10R1.11 CCOC(=O)C1=CN=NS1 E41038 [0,0,0,0,1,0|3,0,0]=4 241 B10R1.11 CCOC(=O)C1=CNC=C1 E46399 [0,0,0,0,1,0|1,0,0]=2 242 B10R1.11 CCOC(=O)C1=CNN=C1 E8068 [0,0,0,0,1,0|2,0,0]=3 243 B10R1.11 CCOC(=O)C1=COC=C1 E69380 [0,0,0,0,1,0|1,0,0]=2 244 B10R1.11 CCOC(=O)C1=COC=N1 E2170 [0,0,0,0,1,0|2,0,0]=3 245 B10R1.11 CCOC(=O)C1=CON=C1 E8088 [0,0,0,0,1,0|2,0,0]=3 246 B10R1.11 CCOC(=O)C1=CSC=C1 E46245 [0,0,0,0,1,0|1,0,0]=2 247 B10R1.11 CCOC(=O)C1=CSC=N1 E2134 [0,0,0,0,1,0|2,0,0]=3 248 B10R1.11 CCOC(=O)C1=NC=CN1 E23112 [0,0,0,0,1,0|2,0,0]=3 249 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [0,0,0,0,1,0|2,0,0]=3 250 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [0,0,0,0,1,0|2,0,0]=3 251 B10R1.11 CCOC(=O)C1=NN=CS1 T67360 [0,0,0,0,1,0|3,0,0]=4 252 B10R1.11 CCOC(=O)C1=NNC=C1 E0715 [0,0,0,0,1,0|2,0,0]=3 253 B10R1.11 CCOC(=O)C1=NOC=C1 E7434 [0,0,0,0,1,0|2,0,0]=3 254 B10R1.11 CCOC(=O)N1C=CN=C1 E43219 [0,0,0,0,1,0|2,0,0]=3 255 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,0,0,0,0,1|1,0,0]=2 256 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [0,0,0,0,0,1|1,0,0]=2 257 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [0,0,0,0,0,1|1,0,0]=2 258 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [0,0,0,0,0,1|1,0,0]=2 259 B12R1.32 CCOC(=O)CC1=NC=CC=N1 E14448 [0,0,0,0,0,1|2,0,0]=3 260 B12R1.32 CCOC(=O)CC1=NN=CC=C1 E18257 [0,0,0,0,0,1|2,0,0]=3 261 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [0,0,0,0,0,1|1,0,0]=2 262 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [0,0,0,0,0,1|1,0,0]=2 263 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 C51350 [0,0,0,0,0,1|2,0,1]=4 264 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|1,0,1]=4 271 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|0,0,2]=4 272 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|1,0,1]=4 273 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|1,0,1]=4 274 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|0,0,2]=4 275 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [2,0,0,0,0,0|1,0,1]=4 290 B9R1.8 CC#CC1=CC=CC=C1 P68608 [2,0,0,0,0,0|0,0,2]=4 291 B9R1.8 CCCC1=NC=CC=C1 P46859 [2,0,0,0,0,0|1,0,1]=4 292 B9R1.8 CCOC1=NC=CC=C1 E46369 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.8 CNNC1=CC=CC=C1 M46459 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.8 COCC1=NC=CC=C1 M46377 [2,0,0,0,0,0|1,0,1]=4 295 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|0,0,1]=3 296 B9R1.8 N#COC1=CC=CC=C1 P44923 [2,0,0,0,0,0|1,0,1]=4 297 B9R1.8 NOCC1=CC=CC=C1 B68114 [2,0,0,0,0,0|1,0,1]=4 298 B9R1.8 O=COC1=CC=CC=C1 P45508 [2,0,0,0,0,0|1,0,1]=4 299 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [2,0,0,0,0,0|1,0,1]=4 301 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 M46268 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 C45914 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [1,1,0,0,0,0|0,0,2]=4 304 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [1,1,0,0,0,0|0,0,2]=4 305 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 T46647 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [1,1,0,0,0,0|0,0,0]=2 310 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [1,1,0,0,0,0|0,0,0]=2 311 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [1,1,0,0,0,0|0,0,0]=2 312 B11R1.22 CCC(=O)C1=NC=C(Br)C=N1 B45692 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 C45698 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 B60995 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [1,1,0,0,0,0|0,0,0]=2 328 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,1,0,0,0,0|0,0,0]=2 329 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [1,1,0,0,0,0|0,0,0]=2 330 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [1,1,0,0,0,0|0,0,0]=2 331 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 M0015 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.22 COC(=O)C1=CN=C(Br)C=N1 M8884 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.22 COC(=O)C1=CN=C(C)C=C1 M13760 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.22 COC(=O)C1=CN=C(C)N=C1 M12380 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 M39382 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 M1561 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 M1662 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.22 COC(=O)C1=CN=C(F)C=C1 M4740 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.22 COC(=O)C1=CN=C(N)N=C1 M14282 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M7692 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.22 COC(=O)C1=CNC(=O)N=C1 M43427 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.22 COC(=O)C1=COC(=O)C=C1 M38530 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 M10296 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 M14042 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.22 COC(=O)C1=NC=C(C)C=C1 M22900 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.22 COC(=O)C1=NC=C(C)C=N1 M10612 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.22 COC(=O)C1=NC=C(C)N=C1 M46011 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 M45366 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 M13251 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.22 COC(=O)C1=NC=C(F)C=C1 M16415 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.22 COC(=O)C1=NC=C(F)C=N1 M17741 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.22 COC(=O)C1=NC=C(I)C=C1 M45392 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.22 COC(=O)C1=NC=C(N)C=C1 M0251 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.22 COC(=O)C1=NC=C(N)C=N1 M10294 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.22 COC(=O)C1=NC=C(N)C=N1 M1663 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.22 COC(=O)C1=NC=C(N)N=C1 A0342 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.22 COC(=O)C1=NC=C(N)N=C1 M19340 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.22 COC(=O)C1=NC=C(O)C=C1 M7706 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.22 COC(=O)C1=NC=C(O)C=N1 M19514 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.22 COC(=O)C1=NC=C(O)N=C1 M12387 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 M32242 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 C3617 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.22 COC(=O)C1=NN=C(N)C=C1 M7641 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.22 COC(=O)C1=NN=C(O)C=C1 M0452 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 C45695 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 F45705 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 B48246 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 C45047 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 B47769 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 C47781 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 B52023 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 M46653 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 H49893 [1,1,0,0,0,0|0,0,0]=2 378 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 B61988 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F38669 [1,1,0,0,0,0|0,0,0]=2 380 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 C49039 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 B69408 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 C45697 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 C45702 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.23 COC(=O)C1=CC(=O)C=CN1 M45849 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.23 COC(=O)C1=CC(=O)N=CN1 M42791 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.23 COC(=O)C1=CC(=O)NC=C1 M1682 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.23 COC(=O)C1=CC(=O)NN=C1 M42790 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 M12724 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 M22704 [1,1,0,0,0,0|1,0,0]=3 394 B11R1.23 COC(=O)C1=CC(C)=NC=C1 M67329 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.23 COC(=O)C1=CC(Cl)=CN=C1 M60826 [1,1,0,0,0,0|1,0,0]=3 396 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 M0407 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.23 COC(=O)C1=CC(Cl)=NC=N1 M24785 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 M11604 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.23 COC(=O)C1=CC(F)=CN=C1 M0721 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.23 COC(=O)C1=CC(F)=NC=C1 M23752 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.23 COC(=O)C1=CC(N)=CC=C1 M69084 [1,1,0,0,0,0|0,0,0]=2 402 B11R1.23 COC(=O)C1=CC(N)=NC=C1 M4534 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.23 COC(=O)C1=CC(O)=CC=C1 M37841 [1,1,0,0,0,0|0,0,0]=2 404 B11R1.23 COC(=O)C1=CC=CC(=O)N1 M38198 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 M48565 [1,1,0,0,0,0|0,0,0]=2 406 B11R1.23 COC(=O)C1=CC=CC(Br)=N1 M22709 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 M22864 [1,1,0,0,0,0|0,0,0]=2 408 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 M24789 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.23 COC(=O)C1=CC=CC(F)=C1 M39493 [1,1,0,0,0,0|0,0,0]=2 410 B11R1.23 COC(=O)C1=CC=CC(F)=N1 M23753 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.23 COC(=O)C1=CC=CC(I)=C1 M48629 [1,1,0,0,0,0|0,0,0]=2 412 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 M32126 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.23 COC(=O)C1=CC=NC(Cl)=N1 C7815 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 M38724 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.23 COC(=O)C1=CN=CC(C)=C1 M12907 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 M0687 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.23 COC(=O)C1=CN=CC(I)=N1 M63354 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.23 COC(=O)C1=CN=CC(N)=C1 M14137 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.23 COC(=O)C1=CN=CC(O)=C1 M61635 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.23 COC(=O)C1=CN=CC(O)=C1 M9186 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.23 COC(=O)C1=NC(=O)NC=C1 M36852 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.23 COC(=O)C1=NC(C)=CC=C1 M49292 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.23 COC(=O)C1=NC(C)=CC=N1 M23011 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.23 COC(=O)C1=NC(C)=CN=C1 M46012 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.23 COC(=O)C1=NC(N)=CC=C1 M8927 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.23 COC(=O)C1=NC(N)=CN=C1 M8739 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.23 COC(=O)C1=NC(N)=NC=C1 M43110 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 M1665 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.23 COC(=O)C1=NC=CC(C)=C1 M49276 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 M0974 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 M7541 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.23 COC(=O)C1=NC=CC(I)=C1 M1513 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.23 COC(=O)C1=NC=CC(N)=C1 M0975 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.23 COC(=O)C1=NC=NC(C)=C1 M14453 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.23 COC(=O)C1=NC=NC(N)=C1 M12144 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.23 COC(=O)C1=NN=CC(C)=C1 M27709 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.23 NNC(=O)C1=CC=CC(Br)=C1 B45685 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.23 NNC(=O)C1=CC=CC(Cl)=C1 C45694 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 B48248 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 B48255 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 B68743 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 B68490 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 F63112 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [1,1,0,0,0,0|0,0,1]=3 445 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [1,1,0,0,0,0|0,0,0]=2 446 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [1,1,0,0,0,0|0,0,0]=2 452 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.36 O=C(C1=CC=CC=C1)C(F)F D63183 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.36 O=C(C1=NC=CC=C1)C(F)F D45065 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [1,1,0,0,0,0|0,0,0]=2 457 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [1,1,0,0,0,0|0,0,0]=2 458 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [1,1,0,0,0,0|0,0,0]=2 459 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [1,1,0,0,0,0|1,0,1]=4 463 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.222 CNC(=O)C1=C(N)C=CN=C1 A46341 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 A46340 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.222 CNC(=O)C1=NC=CC=C1O H46003 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [1,1,0,0,0,0|0,0,0]=2 472 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 M14100 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 M12636 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 M37068 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [1,1,0,0,0,0|0,0,0]=2 476 B11R1.222 COC(=O)C1=C(C)C=CN=C1 M38020 [1,1,0,0,0,0|1,0,0]=3 477 B11R1.222 COC(=O)C1=C(C)C=NC=C1 M11262 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.222 COC(=O)C1=C(C)C=NN=C1 M11606 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.222 COC(=O)C1=C(C)N=CC=C1 M11023 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.222 COC(=O)C1=C(Cl)C=CC=N1 M45351 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 M45369 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.222 COC(=O)C1=C(Cl)C=NC=C1 M45356 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [1,1,0,0,0,0|0,0,0]=2 484 B11R1.222 COC(=O)C1=C(F)C=CC=N1 M25907 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.222 COC(=O)C1=C(F)C=NC=C1 M1911 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [1,1,0,0,0,0|0,0,0]=2 487 B11R1.222 COC(=O)C1=C(I)C=CC=N1 M45391 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.222 COC(=O)C1=C(I)C=NC=C1 M10415 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.222 COC(=O)C1=C(N)C=CN=C1 A1097 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.222 COC(=O)C1=C(N)C=NC=C1 M0549 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.222 COC(=O)C1=C(N)N=CC=C1 M27310 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.222 COC(=O)C1=C(O)C=NC=C1 M15996 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.222 COC(=O)C1=C(O)N=CC=C1 M38592 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.222 COC(=O)C1=C(O)N=CN=C1 M38540 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [1,1,0,0,0,0|0,0,0]=2 496 B11R1.222 COC(=O)C1=CC=CN=C1Br M24089 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.222 COC(=O)C1=CC=CN=C1Cl M0433 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.222 COC(=O)C1=CC=CN=C1F M45374 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.222 COC(=O)C1=CC=CNC1=O M45848 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.222 COC(=O)C1=CC=NNC1=O X14720 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.222 COC(=O)C1=CNC=CC1=O M36878 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.222 COC(=O)C1=NC=CC=C1C M24449 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.222 COC(=O)C1=NC=CC=C1N M23281 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.222 COC(=O)C1=NC=CN=C1Br B12295 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.222 COC(=O)C1=NC=CN=C1Cl C0683 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.222 COC(=O)C1=NC=CN=C1I M37787 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.222 COC(=O)C1=NC=CN=C1N M20687 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.222 COC(=O)C1=NC=CN=C1O M42789 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.222 N#CC(=O)C1=C(F)C=CC=C1 F47445 [1,1,0,0,0,0|1,0,1]=4 511 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 C45693 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 F45704 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 B60597 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 B48254 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 F48290 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [1,1,0,0,0,0|1,0,1]=4 519 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [1,1,0,0,0,0|1,0,1]=4 520 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [1,1,0,0,0,0|1,0,1]=4 521 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,1,0,0,0,0|1,0,1]=4 523 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [1,1,0,0,0,0|1,0,1]=4 524 B11R1.1 CCOCC1=CN=C(Cl)C=C1 C62281 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [1,1,0,0,0,0|1,0,1]=4 527 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [1,1,0,0,0,0|1,0,1]=4 528 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,1,0,0,0,0|0,0,1]=3 533 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,1,0,0,0,0|0,0,2]=4 534 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,1,0,0,0,0|0,0,2]=4 535 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [1,1,0,0,0,0|0,0,0]=2 537 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,1,0,0,0,0|0,0,1]=3 539 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,1,0,0,0,0|0,0,1]=3 540 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,1,0,0,0,0|0,0,2]=4 541 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,1,0,0,0,0|1,0,1]=4 542 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,1,0,0,0,0|0,0,1]=3 543 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.15 CCOC(=O)C1=CC(=O)NN1 E43249 [0,1,0,0,1,0|2,0,0]=4 545 B11R1.15 CCOC(=O)C1=CC(Br)=CN1 E23668 [0,1,0,0,1,0|1,0,0]=3 546 B11R1.15 CCOC(=O)C1=CC(Br)=CS1 E45906 [0,1,0,0,1,0|1,0,0]=3 547 B11R1.15 CCOC(=O)C1=CC(Br)=NO1 E42869 [0,1,0,0,1,0|2,0,0]=4 548 B11R1.15 CCOC(=O)C1=CC(C)=CN1 E69074 [0,1,0,0,1,0|1,0,0]=3 549 B11R1.15 CCOC(=O)C1=CC(C)=NN1 E23529 [0,1,0,0,1,0|2,0,0]=4 550 B11R1.15 CCOC(=O)C1=CC(C)=NO1 E46428 [0,1,0,0,1,0|2,0,0]=4 551 B11R1.15 CCOC(=O)C1=CC(N)=CN1 E43654 [0,1,0,0,1,0|1,0,0]=3 552 B11R1.15 CCOC(=O)C1=CC=C(Br)O1 E45937 [0,1,0,0,1,0|1,0,0]=3 553 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 E45907 [0,1,0,0,1,0|1,0,0]=3 554 B11R1.15 CCOC(=O)C1=CC=C(C)N1 E13124 [0,1,0,0,1,0|1,0,0]=3 555 B11R1.15 CCOC(=O)C1=CC=C(C)S1 E46839 [0,1,0,0,1,0|1,0,0]=3 556 B11R1.15 CCOC(=O)C1=CC=C(Cl)S1 E45915 [0,1,0,0,1,0|1,0,0]=3 557 B11R1.15 CCOC(=O)C1=CN(C)C=N1 E12958 [0,1,0,0,1,0|2,0,0]=4 558 B11R1.15 CCOC(=O)C1=CN(C)N=C1 E8101 [0,1,0,0,1,0|2,0,0]=4 559 B11R1.15 CCOC(=O)C1=CN=C(Br)N1 E43032 [0,1,0,0,1,0|2,0,0]=4 560 B11R1.15 CCOC(=O)C1=CN=C(Br)O1 E32408 [0,1,0,0,1,0|2,0,0]=4 561 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 E2650 [0,1,0,0,1,0|2,0,0]=4 562 B11R1.15 CCOC(=O)C1=CN=C(C)S1 E2885 [0,1,0,0,1,0|2,0,0]=4 563 B11R1.15 CCOC(=O)C1=CN=C(Cl)S1 E42860 [0,1,0,0,1,0|2,0,0]=4 564 B11R1.15 CCOC(=O)C1=CN=C(N)N1 E8858 [0,1,0,0,1,0|2,0,0]=4 565 B11R1.15 CCOC(=O)C1=CN=C(N)O1 E32364 [0,1,0,0,1,0|2,0,0]=4 566 B11R1.15 CCOC(=O)C1=CN=C(N)S1 E2652 [0,1,0,0,1,0|2,0,0]=4 567 B11R1.15 CCOC(=O)C1=CNC(C)=C1 E64019 [0,1,0,0,1,0|1,0,0]=3 568 B11R1.15 CCOC(=O)C1=COC(Br)=N1 E9339 [0,1,0,0,1,0|2,0,0]=4 569 B11R1.15 CCOC(=O)C1=COC(C)=N1 E9858 [0,1,0,0,1,0|2,0,0]=4 570 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 E2065 [0,1,0,0,1,0|2,0,0]=4 571 B11R1.15 CCOC(=O)C1=COC(I)=N1 E42873 [0,1,0,0,1,0|2,0,0]=4 572 B11R1.15 CCOC(=O)C1=COC(N)=N1 E2076 [0,1,0,0,1,0|2,0,0]=4 573 B11R1.15 CCOC(=O)C1=CSC(=S)N1 E63132 [0,1,0,0,1,0|2,0,0]=4 574 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 E45908 [0,1,0,0,1,0|1,0,0]=3 575 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 E2133 [0,1,0,0,1,0|2,0,0]=4 576 B11R1.15 CCOC(=O)C1=CSC(C)=N1 E2046 [0,1,0,0,1,0|2,0,0]=4 577 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 M4857 [0,1,0,0,1,0|2,0,0]=4 578 B11R1.15 CCOC(=O)C1=CSC(F)=N1 E42865 [0,1,0,0,1,0|2,0,0]=4 579 B11R1.15 CCOC(=O)C1=CSC(N)=N1 E2339 [0,1,0,0,1,0|2,0,0]=4 580 B11R1.15 CCOC(=O)C1=NC(Br)=CN1 E26759 [0,1,0,0,1,0|2,0,0]=4 581 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 E7894 [0,1,0,0,1,0|2,0,0]=4 582 B11R1.15 CCOC(=O)C1=NN(C)C=C1 E43656 [0,1,0,0,1,0|2,0,0]=4 583 B11R1.15 CCOC(=O)C1=NNC(Br)=C1 E37196 [0,1,0,0,1,0|2,0,0]=4 584 B11R1.15 CCOC(=O)C1=NNC(Cl)=C1 E19218 [0,1,0,0,1,0|2,0,0]=4 585 B11R1.15 CCOC(=O)C1=NNC(F)=C1 E29650 [0,1,0,0,1,0|2,0,0]=4 586 B11R1.15 CCOC(=O)C1=NNC(N)=C1 E9969 [0,1,0,0,1,0|2,0,0]=4 587 B11R1.15 CCOC(=O)C1=NNC(O)=C1 E25701 [0,1,0,0,1,0|2,0,0]=4 588 B11R1.15 CCOC(=O)C1=NOC(N)=C1 E61595 [0,1,0,0,1,0|2,0,0]=4 589 B11R1.29 CNCCC(=O)C1=CC=CS1 M49532 [0,1,0,0,1,0|2,0,0]=4 590 B11R1.199 CCOC(=O)C1=C(Br)N=CO1 E42868 [0,1,0,0,1,0|2,0,0]=4 591 B11R1.199 CCOC(=O)C1=C(Br)SC=C1 E45905 [0,1,0,0,1,0|1,0,0]=3 592 B11R1.199 CCOC(=O)C1=C(Br)SC=N1 E3201 [0,1,0,0,1,0|2,0,0]=4 593 B11R1.199 CCOC(=O)C1=C(C)C=CN1 E7945 [0,1,0,0,1,0|1,0,0]=3 594 B11R1.199 CCOC(=O)C1=C(C)N=CO1 E46426 [0,1,0,0,1,0|2,0,0]=4 595 B11R1.199 CCOC(=O)C1=C(C)NC=C1 E46928 [0,1,0,0,1,0|1,0,0]=3 596 B11R1.199 CCOC(=O)C1=C(C)NC=N1 E38567 [0,1,0,0,1,0|2,0,0]=4 597 B11R1.199 CCOC(=O)C1=C(C)OC=N1 E46427 [0,1,0,0,1,0|2,0,0]=4 598 B11R1.199 CCOC(=O)C1=C(C)ON=C1 E46429 [0,1,0,0,1,0|2,0,0]=4 599 B11R1.199 CCOC(=O)C1=C(C)SC=N1 M4176 [0,1,0,0,1,0|2,0,0]=4 600 B11R1.199 CCOC(=O)C1=C(Cl)NN=C1 E36857 [0,1,0,0,1,0|2,0,0]=4 601 B11R1.199 CCOC(=O)C1=C(Cl)NN=C1 E43043 [0,1,0,0,1,0|2,0,0]=4 602 B11R1.199 CCOC(=O)C1=C(Cl)SC=N1 E42861 [0,1,0,0,1,0|2,0,0]=4 603 B11R1.199 CCOC(=O)C1=C(F)C=CN1 E8047 [0,1,0,0,1,0|1,0,0]=3 604 B11R1.199 CCOC(=O)C1=C(N)C=CN1 A2113 [0,1,0,0,1,0|1,0,0]=3 605 B11R1.199 CCOC(=O)C1=C(N)C=CN1 E1446 [0,1,0,0,1,0|1,0,0]=3 606 B11R1.199 CCOC(=O)C1=C(N)N=CS1 E43236 [0,1,0,0,1,0|2,0,0]=4 607 B11R1.199 CCOC(=O)C1=C(N)NC=C1 E1851 [0,1,0,0,1,0|1,0,0]=3 608 B11R1.199 CCOC(=O)C1=C(N)NC=N1 E37693 [0,1,0,0,1,0|2,0,0]=4 609 B11R1.199 CCOC(=O)C1=C(N)NN=C1 E32292 [0,1,0,0,1,0|2,0,0]=4 610 B11R1.199 CCOC(=O)C1=C(N)ON=C1 E43244 [0,1,0,0,1,0|2,0,0]=4 611 B11R1.199 CCOC(=O)C1=C(N)SC=C1 E46417 [0,1,0,0,1,0|1,0,0]=3 612 B11R1.199 CCOC(=O)C1=C(N)SC=N1 E43237 [0,1,0,0,1,0|2,0,0]=4 613 B11R1.199 CCOC(=O)C1=CC=NN1C E43657 [0,1,0,0,1,0|2,0,0]=4 614 B11R1.199 CCOC(=O)C1=CN=CN1N E43362 [0,1,0,0,1,0|2,0,0]=4 615 B11R1.199 CCOC(=O)C1=CNC=C1C E46929 [0,1,0,0,1,0|1,0,0]=3 616 B11R1.199 CCOC(=O)C1=CNN=C1Br E37560 [0,1,0,0,1,0|2,0,0]=4 617 B11R1.199 CCOC(=O)C1=CNN=C1C E9772 [0,1,0,0,1,0|2,0,0]=4 618 B11R1.199 CCOC(=O)C1=CNN=C1I E43048 [0,1,0,0,1,0|2,0,0]=4 619 B11R1.199 CCOC(=O)C1=CNN=C1N E24963 [0,1,0,0,1,0|2,0,0]=4 620 B11R1.199 CCOC(=O)C1=CNN=C1O E36900 [0,1,0,0,1,0|2,0,0]=4 621 B11R1.199 CCOC(=O)C1=NC=CN1C E43661 [0,1,0,0,1,0|2,0,0]=4 622 B11R1.199 CCOC(=O)C1=NNC=C1Br E1964 [0,1,0,0,1,0|2,0,0]=4 623 B11R1.199 CCOC(=O)C1=NNC=C1C E43658 [0,1,0,0,1,0|2,0,0]=4 624 B11R1.199 CCOC(=O)C1=NNC=C1I E11634 [0,1,0,0,1,0|2,0,0]=4 625 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 B66324 [0,1,0,0,0,1|1,0,0]=3 626 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 E39598 [0,1,0,0,0,1|0,0,0]=2 627 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 E54764 [0,1,0,0,0,1|0,0,0]=2 628 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 E37347 [0,1,0,0,0,1|0,0,0]=2 629 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 E52643 [0,1,0,0,0,1|0,0,0]=2 630 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 E52825 [0,1,0,0,0,1|0,0,0]=2 631 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 E26478 [0,1,0,0,0,1|2,0,0]=4 632 B13R1.19 CCOC(=O)CC1=CN=C(Cl)C=C1 E49806 [0,1,0,0,0,1|1,0,0]=3 633 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 E26479 [0,1,0,0,0,1|2,0,0]=4 634 B13R1.19 CCOC(=O)CC1=CN=C(N)C=C1 E50182 [0,1,0,0,0,1|1,0,0]=3 635 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 E7704 [0,1,0,0,0,1|1,0,0]=3 636 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 E14449 [0,1,0,0,0,1|2,0,0]=4 637 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 E17839 [0,1,0,0,0,1|1,0,0]=3 638 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 M12778 [0,1,0,0,0,1|1,0,0]=3 639 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 E1730 [0,1,0,0,0,1|1,0,0]=3 640 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 E12791 [0,1,0,0,0,1|2,0,0]=4 641 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 E1822 [0,1,0,0,0,1|1,0,0]=3 642 B13R1.20 CCOC(=O)CC1=CC(O)=CC=C1 E52824 [0,1,0,0,0,1|0,0,0]=2 643 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 E52616 [0,1,0,0,0,1|0,0,0]=2 644 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=C1 E52635 [0,1,0,0,0,1|0,0,0]=2 645 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=N1 E49815 [0,1,0,0,0,1|1,0,0]=3 646 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 E52642 [0,1,0,0,0,1|0,0,0]=2 647 B13R1.20 CCOC(=O)CC1=NC(C)=CC=C1 E52964 [0,1,0,0,0,1|1,0,0]=3 648 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 E9002 [0,1,0,0,0,1|1,0,0]=3 649 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 E37568 [0,1,0,0,0,1|1,0,0]=3 650 B13R1.20 CCOC(=O)CC1=NC=NC(C)=C1 E14451 [0,1,0,0,0,1|2,0,0]=4 651 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 A52450 [0,1,0,0,0,1|0,0,1]=3 652 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 E15017 [0,1,0,0,0,1|1,0,0]=3 653 B13R1.47 CCOC(=O)[C@@H](N)C1=CC=CC=C1 E63316 [0,1,0,0,0,1|0,0,0]=2 654 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 E8869 [0,1,0,0,0,1|0,0,0]=2 655 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E15413 [0,1,0,0,0,1|1,0,0]=3 656 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E61729 [0,1,0,0,0,1|1,0,0]=3 657 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 M52961 [0,1,0,0,0,1|2,0,0]=4 658 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 M56079 [0,1,0,0,0,1|1,0,0]=3 659 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=N1 E22128 [0,1,0,0,0,1|1,0,0]=3 660 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 E24006 [0,1,0,0,0,1|1,0,0]=3 661 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=N1 E49181 [0,1,0,0,0,1|2,0,0]=4 662 B13R1.470 CCOC(=O)CC1=C(Cl)C=CC=C1 E52634 [0,1,0,0,0,1|0,0,0]=2 663 B13R1.470 CCOC(=O)CC1=C(F)C=CC=C1 E52639 [0,1,0,0,0,1|0,0,0]=2 664 B13R1.470 CCOC(=O)CC1=C(I)C=CC=C1 E52649 [0,1,0,0,0,1|0,0,0]=2 665 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 E54158 [0,1,0,0,0,1|0,0,0]=2 666 B13R1.470 CCOC(=O)CC1=C(O)N=CN=C1 E36836 [0,1,0,0,0,1|2,0,0]=4 667 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl E0581 [0,1,0,0,0,1|1,0,0]=3 668 B13R1.470 CCOC(=O)CC1=CN=CN=C1Cl E24593 [0,1,0,0,0,1|2,0,0]=4 669 B13R1.470 CCOC(=O)CC1=NC=CC=C1N E50181 [0,1,0,0,0,1|1,0,0]=3 670 B13R1.470 CCOC(=O)CC1=NC=CC=C1O E13461 [0,1,0,0,0,1|1,0,0]=3 671 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 B54688 [0,2,0,0,0,0|1,0,0]=3 672 B13R1.17 CCCCC(=O)C1=CC=C(C)C=C1 T56075 [0,2,0,0,0,0|1,0,0]=3 673 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 C39653 [0,2,0,0,0,0|1,0,0]=3 674 B13R1.17 CCCCC(=O)C1=CC=C(O)C=C1 H39654 [0,2,0,0,0,0|1,0,0]=3 675 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 C52497 [0,2,0,0,0,0|1,0,0]=3 676 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 C39593 [0,2,0,0,0,0|1,0,0]=3 677 B13R1.17 O=C(CCCCl)C1=CC=C(O)C=C1 C52637 [0,2,0,0,0,0|1,0,0]=3 678 B13R1.21 CC[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 B52495 [0,2,0,0,0,0|1,0,0]=3 679 B13R1.21 COC(=O)C(=O)C1=CC=C(Br)C=C1 M51279 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.21 COC(=O)C(=O)C1=CC=C(O)C=C1 M51644 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.21 CON(C)C(=O)C1=CC=C(Br)C=C1 B49794 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.21 CON(C)C(=O)C1=CC=C(C)C=C1 M52951 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.21 CON(C)C(=O)C1=CC=C(Cl)C=C1 C49812 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.21 CON(C)C(=O)C1=CC=C(F)C=C1 F5084 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.29 CC1=CC=C(S(=O)(=O)OCF)C=C1 F32154 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.29 CCOS(=O)(=O)C1=CC=C(C)C=C1 E68807 [0,2,0,0,0,0|1,0,0]=3 687 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 F62044 [0,2,0,0,0,0|1,0,1]=4 688 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 A53033 [0,2,0,0,0,0|1,0,0]=3 689 B13R1.452 C#CC1=CC=C(C(=O)OCC)C=C1 E54339 [0,2,0,0,0,0|0,0,0]=2 690 B13R1.452 CCOC(=O)C1=CC=C(C#N)C=C1 E53920 [0,2,0,0,0,0|0,0,0]=2 691 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 E52452 [0,2,0,0,0,0|0,0,0]=2 692 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 E23314 [0,2,0,0,0,0|0,0,0]=2 693 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 E67417 [0,2,0,0,0,0|0,0,0]=2 694 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 E50178 [0,2,0,0,0,0|0,0,0]=2 695 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 E52133 [0,2,0,0,0,0|0,0,0]=2 696 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 E39608 [0,2,0,0,0,0|0,0,0]=2 697 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 E51369 [0,2,0,0,0,0|1,0,0]=3 698 B13R1.452 CCOC(=O)C1=CN=C(CBr)C=C1 E49790 [0,2,0,0,0,0|1,0,0]=3 699 B13R1.452 CCOC(=O)C1=CN=C(CN)C=C1 E52134 [0,2,0,0,0,0|1,0,0]=3 700 B13R1.452 CCOC(=O)C1=CN=C(SC)N=C1 E14444 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.452 CCOC(=O)C1=NC=C(CO)C=C1 E50092 [0,2,0,0,0,0|1,0,0]=3 702 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 C52638 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.466 CCOC(=O)C1=CC(Br)=C(C)C=C1 E52617 [0,2,0,0,0,0|0,0,0]=2 704 B13R1.466 CCOC(=O)C1=CC(Br)=C(C)N=C1 E49791 [0,2,0,0,0,0|1,0,0]=3 705 B13R1.466 CCOC(=O)C1=CC(Br)=C(F)C=C1 E51577 [0,2,0,0,0,0|0,0,0]=2 706 B13R1.466 CCOC(=O)C1=CC(Br)=C(I)C=C1 E51594 [0,2,0,0,0,0|0,0,0]=2 707 B13R1.466 CCOC(=O)C1=CC(Br)=C(N)C=C1 E49789 [0,2,0,0,0,0|0,0,0]=2 708 B13R1.466 CCOC(=O)C1=CC(Br)=C(N)N=C1 E49176 [0,2,0,0,0,0|1,0,0]=3 709 B13R1.466 CCOC(=O)C1=CC(Br)=C(O)C=C1 E51967 [0,2,0,0,0,0|0,0,0]=2 710 B13R1.466 CCOC(=O)C1=CC(C)=C(N)C=C1 E9474 [0,2,0,0,0,0|0,0,0]=2 711 B13R1.466 CCOC(=O)C1=CC(Cl)=C(C)C=N1 E49808 [0,2,0,0,0,0|1,0,0]=3 712 B13R1.466 CCOC(=O)C1=CC(Cl)=C(Cl)C=C1 E51595 [0,2,0,0,0,0|0,0,0]=2 713 B13R1.466 CCOC(=O)C1=CC(Cl)=C(F)C=C1 E51603 [0,2,0,0,0,0|0,0,0]=2 714 B13R1.466 CCOC(=O)C1=CC(Cl)=C(I)C=C1 E62885 [0,2,0,0,0,0|0,0,0]=2 715 B13R1.466 CCOC(=O)C1=CC(Cl)=C(N)C=C1 E39118 [0,2,0,0,0,0|0,0,0]=2 716 B13R1.466 CCOC(=O)C1=CC(F)=C(Br)C=C1 E51579 [0,2,0,0,0,0|0,0,0]=2 717 B13R1.466 CCOC(=O)C1=CC(F)=C(C)C=C1 E52645 [0,2,0,0,0,0|0,0,0]=2 718 B13R1.466 CCOC(=O)C1=CC(F)=C(Cl)C=C1 E51604 [0,2,0,0,0,0|0,0,0]=2 719 B13R1.466 CCOC(=O)C1=CC(F)=C(F)C=C1 E19856 [0,2,0,0,0,0|0,0,0]=2 720 B13R1.466 CCOC(=O)C1=CC(F)=C(I)C=C1 E62884 [0,2,0,0,0,0|0,0,0]=2 721 B13R1.466 CCOC(=O)C1=CC(F)=C(N)C=C1 E49830 [0,2,0,0,0,0|0,0,0]=2 722 B13R1.466 CCOC(=O)C1=CC(I)=C(N)C=C1 E63175 [0,2,0,0,0,0|0,0,0]=2 723 B13R1.466 CCOC(=O)C1=CC(N)=C(C)C=C1 E9475 [0,2,0,0,0,0|0,0,0]=2 724 B13R1.466 CCOC(=O)C1=CC(N)=C(F)C=C1 E49829 [0,2,0,0,0,0|0,0,0]=2 725 B13R1.466 CCOC(=O)C1=CC(N)=C(N)C=C1 E65991 [0,2,0,0,0,0|0,0,0]=2 726 B13R1.466 CCOC(=O)C1=CC(N)=C(O)C=C1 E61410 [0,2,0,0,0,0|0,0,0]=2 727 B13R1.466 CCOC(=O)C1=CC(O)=C(Br)C=C1 E51968 [0,2,0,0,0,0|0,0,0]=2 728 B13R1.466 CCOC(=O)C1=CC(O)=C(O)C=C1 E68961 [0,2,0,0,0,0|0,0,0]=2 729 B13R1.466 CCOC(=O)C1=CC=C(C)C(Br)=N1 E49792 [0,2,0,0,0,0|1,0,0]=3 730 B13R1.466 CCOC(=O)C1=CC=C(C)C(Cl)=N1 E49810 [0,2,0,0,0,0|1,0,0]=3 731 B13R1.466 CCOC(=O)C1=CC=C(F)C(Br)=N1 E32005 [0,2,0,0,0,0|1,0,0]=3 732 B13R1.466 CCOC(=O)C1=CN=C(C)C(N)=C1 A7828 [0,2,0,0,0,0|1,0,0]=3 733 B13R1.466 CCOC(=O)C1=CN=C(Cl)C(O)=C1 E49000 [0,2,0,0,0,0|1,0,0]=3 734 B13R1.466 CCOC(=O)C1=CN=C(I)C(O)=C1 E49016 [0,2,0,0,0,0|1,0,0]=3 735 B13R1.466 CCOC(=O)C1=CNC(=O)C(C)=C1 E50102 [0,2,0,0,0,0|1,0,0]=3 736 B13R1.466 CCOC(=O)C1=NC(Cl)=C(Br)C=C1 E48473 [0,2,0,0,0,0|1,0,0]=3 737 B13R1.466 CCOC(=O)C1=NC(O)=C(Br)C=C1 E37395 [0,2,0,0,0,0|1,0,0]=3 738 B13R1.1511 CCCC(=O)C1=C(O)C=C(O)C=C1 D52835 [0,2,0,0,0,0|1,0,0]=3 739 B13R1.1511 CCOC(=O)C1=C(Br)C=C(Cl)N=C1 E48472 [0,2,0,0,0,0|1,0,0]=3 740 B13R1.1511 CCOC(=O)C1=C(Br)C=C(F)C=C1 E51574 [0,2,0,0,0,0|0,0,0]=2 741 B13R1.1511 CCOC(=O)C1=C(C)C=C(N)C=C1 E52947 [0,2,0,0,0,0|0,0,0]=2 742 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)C=C1 E63492 [0,2,0,0,0,0|1,0,0]=3 743 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)N=C1 E9429 [0,2,0,0,0,0|2,0,0]=4 744 B13R1.1511 CCOC(=O)C1=C(C)N=C(N)N=C1 E46879 [0,2,0,0,0,0|2,0,0]=4 745 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 E23160 [0,2,0,0,0,0|1,0,0]=3 746 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(I)C=C1 E63031 [0,2,0,0,0,0|0,0,0]=2 747 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(N)C=C1 E64589 [0,2,0,0,0,0|0,0,0]=2 748 B13R1.1511 CCOC(=O)C1=C(Cl)N=C(Cl)N=C1 E14443 [0,2,0,0,0,0|2,0,0]=4 749 B13R1.1511 CCOC(=O)C1=C(F)C=C(Br)C=C1 E51578 [0,2,0,0,0,0|0,0,0]=2 750 B13R1.1511 CCOC(=O)C1=C(F)C=C(F)C=C1 E51611 [0,2,0,0,0,0|0,0,0]=2 751 B13R1.1511 CCOC(=O)C1=C(F)C=C(I)C=C1 E63026 [0,2,0,0,0,0|0,0,0]=2 752 B13R1.1511 CCOC(=O)C1=C(N)C=C(F)C=C1 E49827 [0,2,0,0,0,0|0,0,0]=2 753 B13R1.1511 CCOC(=O)C1=C(N)N=C(C)N=C1 E61753 [0,2,0,0,0,0|2,0,0]=4 754 B13R1.1511 CCOC(=O)C1=C(N)N=C(Cl)N=C1 E9779 [0,2,0,0,0,0|2,0,0]=4 755 B13R1.1511 CCOC(=O)C1=C(N)N=C(N)N=C1 E43698 [0,2,0,0,0,0|2,0,0]=4 756 B13R1.1511 CCOC(=O)C1=C(N)N=C(O)N=C1 E46354 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=C1 E49350 [0,2,0,0,0,0|1,0,0]=3 758 B13R1.1511 CCOC(=O)C1=C(O)N=C(C)N=C1 E46699 [0,2,0,0,0,0|2,0,0]=4 759 B13R1.1511 CCOC(=O)C1=C(O)N=C(N)N=C1 E46353 [0,2,0,0,0,0|2,0,0]=4 760 B13R1.1511 CCOC(=O)C1=CC=C(Cl)N=C1Cl E48474 [0,2,0,0,0,0|1,0,0]=3 761 B13R1.1511 CCOC(=O)C1=CN=C(C)N=C1Cl E7683 [0,2,0,0,0,0|2,0,0]=4 762 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1Cl D3751 [0,2,0,0,0,0|1,0,0]=3 763 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1N E49185 [0,2,0,0,0,0|1,0,0]=3 764 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1Cl E46065 [0,2,0,0,0,0|2,0,0]=4 765 B13R1.1511 CCOC(=O)C1=CNC(=O)NC1=O C46050 [0,2,0,0,0,0|2,0,0]=4 766 B13R1.1511 CCOC(=O)C1=CNC(=S)NC1=O E64190 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1C E38729 [0,2,0,0,0,0|1,0,0]=3 768 B13R1.1511 CCOC(=O)C1=NC=C(C)NC1=O E63363 [0,2,0,0,0,0|2,0,0]=4 769 B13R1.1511 CCOC(=O)C1=NC=C(Cl)C=C1N E49184 [0,2,0,0,0,0|1,0,0]=3 770 B13R1.1511 CCOC(=O)C1=NN=C(Cl)C=C1Cl E24864 [0,2,0,0,0,0|2,0,0]=4 771 B13R1.1511 CCOC(=O)C1=NN=C(O)C=C1O E46052 [0,2,0,0,0,0|2,0,0]=4 772 B13R1.12 CCOC(=O)C1=C(C)C(Cl)=NC=C1 E22922 [0,2,0,0,0,0|1,0,0]=3 773 B13R1.12 CCOC(=O)C1=C(C)C(Cl)=NC=N1 E17806 [0,2,0,0,0,0|2,0,0]=4 774 B13R1.12 CCOC(=O)C1=C(C)C(O)=CC=C1 E63683 [0,2,0,0,0,0|0,0,0]=2 775 B13R1.12 CCOC(=O)C1=C(Cl)C(Cl)=NC=N1 E66031 [0,2,0,0,0,0|2,0,0]=4 776 B13R1.12 CCOC(=O)C1=CC=CC(Br)=C1N E37188 [0,2,0,0,0,0|0,0,0]=2 777 B13R1.12 CCOC(=O)C1=CC=CC(Cl)=C1F E51602 [0,2,0,0,0,0|0,0,0]=2 778 B13R1.12 CCOC(=O)C1=CC=CC(F)=C1C E52644 [0,2,0,0,0,0|0,0,0]=2 779 B13R1.12 CCOC(=O)C1=CC=CC(F)=C1F E51610 [0,2,0,0,0,0|0,0,0]=2 780 B13R1.12 CCOC(=O)C1=CN=CC(Br)=C1N E32067 [0,2,0,0,0,0|1,0,0]=3 781 B13R1.12 CCOC(=O)C1=NC=NC(Cl)=C1Br E12194 [0,2,0,0,0,0|2,0,0]=4 782 B13R1.12 CCOC(=O)C1=NC=NC(N)=C1Cl E66033 [0,2,0,0,0,0|2,0,0]=4 783 B13R1.12 CCOC(=O)C1=NC=NC(O)=C1Cl E66030 [0,2,0,0,0,0|2,0,0]=4 784 B13R1.18 O=C(CCCCl)C1=CC(Br)=CN=C1 B66685 [0,2,0,0,0,0|2,0,0]=4 785 B13R1.22 COC(=O)C(=O)C1=CC=CC(Br)=C1 M51278 [0,2,0,0,0,0|2,0,0]=4 786 B13R1.22 CON(C)C(=O)C1=CC=CC(Cl)=C1 C49811 [0,2,0,0,0,0|2,0,0]=4 787 B13R1.22 CON(C)C(=O)C1=CC=CC(F)=C1 F49832 [0,2,0,0,0,0|2,0,0]=4 788 B13R1.147 CC(C)OC(=O)C1=CC(N)=CC=C1 P52939 [0,2,0,0,0,0|0,0,0]=2 789 B13R1.446 CCOC(=O)C1=C(Br)C=CC(Br)=N1 E48468 [0,2,0,0,0,0|1,0,0]=3 790 B13R1.446 CCOC(=O)C1=C(Br)C=CC(F)=C1 E51575 [0,2,0,0,0,0|0,0,0]=2 791 B13R1.446 CCOC(=O)C1=C(Br)C=CC(I)=C1 E51593 [0,2,0,0,0,0|0,0,0]=2 792 B13R1.446 CCOC(=O)C1=C(C)C=CC(Cl)=C1 E52636 [0,2,0,0,0,0|0,0,0]=2 793 B13R1.446 CCOC(=O)C1=C(C)C=CC(I)=C1 E63252 [0,2,0,0,0,0|0,0,0]=2 794 B13R1.446 CCOC(=O)C1=C(C)N=CC(O)=C1 E50094 [0,2,0,0,0,0|1,0,0]=3 795 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(Br)=C1 E51566 [0,2,0,0,0,0|0,0,0]=2 796 B13R1.446 CCOC(=O)C1=C(F)C=CC(Br)=C1 E51580 [0,2,0,0,0,0|0,0,0]=2 797 B13R1.446 CCOC(=O)C1=C(F)C=CC(F)=C1 E51612 [0,2,0,0,0,0|0,0,0]=2 798 B13R1.446 CCOC(=O)C1=C(F)C=CC(I)=C1 E51618 [0,2,0,0,0,0|0,0,0]=2 799 B13R1.446 CCOC(=O)C1=C(F)C=CC(N)=C1 E62886 [0,2,0,0,0,0|0,0,0]=2 800 B13R1.446 CCOC(=O)C1=C(I)C=CC(Br)=C1 E63027 [0,2,0,0,0,0|0,0,0]=2 801 B13R1.446 CCOC(=O)C1=C(I)C=CC(C)=C1 E52650 [0,2,0,0,0,0|0,0,0]=2 802 B13R1.446 CCOC(=O)C1=C(I)C=CC(Cl)=C1 E51609 [0,2,0,0,0,0|0,0,0]=2 803 B13R1.446 CCOC(=O)C1=C(N)C=CC(Br)=C1 E49788 [0,2,0,0,0,0|0,0,0]=2 804 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 E52946 [0,2,0,0,0,0|0,0,0]=2 805 B13R1.446 CCOC(=O)C1=C(N)C=CC(Cl)=N1 E11768 [0,2,0,0,0,0|1,0,0]=3 806 B13R1.446 CCOC(=O)C1=C(N)C=CC(F)=C1 E49828 [0,2,0,0,0,0|0,0,0]=2 807 B13R1.446 CCOC(=O)C1=C(N)C=CC(I)=C1 E49842 [0,2,0,0,0,0|0,0,0]=2 808 B13R1.446 CCOC(=O)C1=C(N)C=NC(Cl)=N1 E61515 [0,2,0,0,0,0|2,0,0]=4 809 B13R1.446 CCOC(=O)C1=C(O)C=CC(I)=C1 E52001 [0,2,0,0,0,0|0,0,0]=2 810 B13R1.446 CCOC(=O)C1=CC(Br)=CN=C1C B15581 [0,2,0,0,0,0|1,0,0]=3 811 B13R1.446 CCOC(=O)C1=CC(Br)=CN=C1N E49175 [0,2,0,0,0,0|1,0,0]=3 812 B13R1.446 CCOC(=O)C1=CC(C)=CN=C1Cl E49807 [0,2,0,0,0,0|1,0,0]=3 813 B13R1.446 CCOC(=O)C1=CC(Cl)=CN=C1C E49809 [0,2,0,0,0,0|1,0,0]=3 814 B13R1.446 CCOC(=O)C1=CC(Cl)=CN=C1N E49183 [0,2,0,0,0,0|1,0,0]=3 815 B13R1.446 CCOC(=O)C1=CC(Cl)=NC=C1Cl E38334 [0,2,0,0,0,0|1,0,0]=3 816 B13R1.446 CCOC(=O)C1=CC(Cl)=NN=C1Cl E38355 [0,2,0,0,0,0|2,0,0]=4 817 B13R1.446 CCOC(=O)C1=CC(Cl)=NN=C1O E45679 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.446 CCOC(=O)C1=CC(F)=CN=C1Cl E0636 [0,2,0,0,0,0|1,0,0]=3 819 B13R1.446 CCOC(=O)C1=CC(I)=CN=C1N E49189 [0,2,0,0,0,0|1,0,0]=3 820 B13R1.446 CCOC(=O)C1=NC(C)=CC=C1N E11770 [0,2,0,0,0,0|1,0,0]=3 821 B13R1.450 CCOC(=O)C1=CC(Br)=CC(Cl)=C1 E63035 [0,2,0,0,0,0|0,0,0]=2 822 B13R1.450 CCOC(=O)C1=CC(Cl)=CC(Cl)=C1 E39573 [0,2,0,0,0,0|0,0,0]=2 823 B13R1.450 CCOC(=O)C1=CC(Cl)=NC(C)=C1 E49813 [0,2,0,0,0,0|1,0,0]=3 824 B13R1.450 CCOC(=O)C1=CC(Cl)=NC(C)=N1 E67812 [0,2,0,0,0,0|2,0,0]=4 825 B13R1.450 CCOC(=O)C1=CC(Cl)=NC(Cl)=C1 D48481 [0,2,0,0,0,0|1,0,0]=3 826 B13R1.460 C#CC1=CC=CC(C(=O)OCC)=N1 E53921 [0,2,0,0,0,0|1,0,0]=3 827 B13R1.460 CCOC(=O)C1=CC(C#N)=CC=C1 E53919 [0,2,0,0,0,0|0,0,0]=2 828 B13R1.460 CCOC(=O)C1=CC(C#N)=NC=C1 E38102 [0,2,0,0,0,0|1,0,0]=3 829 B13R1.460 CCOC(=O)C1=CC(C=O)=NC=C1 E36759 [0,2,0,0,0,0|1,0,0]=3 830 B13R1.460 CCOC(=O)C1=CC(CN)=NC=C1 E52136 [0,2,0,0,0,0|1,0,0]=3 831 B13R1.460 CCOC(=O)C1=CC(OC)=NC=C1 E50087 [0,2,0,0,0,0|1,0,0]=3 832 B13R1.460 CCOC(=O)C1=CC=CC(CCl)=C1 E52633 [0,2,0,0,0,0|0,0,0]=2 833 B13R1.460 CCOC(=O)C1=NC(C#N)=CC=C1 E51370 [0,2,0,0,0,0|1,0,0]=3 834 B13R1.460 CCOC(=O)C1=NC(CN)=CC=C1 E52135 [0,2,0,0,0,0|1,0,0]=3 835 B13R1.460 CCOC(=O)C1=NC=CC(C#N)=C1 E51368 [0,2,0,0,0,0|1,0,0]=3 836 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [0,2,0,0,0,0|1,0,1]=4 837 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H56071 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 D54632 [0,2,0,0,0,0|1,0,1]=4 839 B13R1.45 O=C(Cl)COC(=O)C1=CC=CC=C1 B2755 [0,2,0,0,0,0|0,0,1]=3 840 B13R1.122 C#CCOS(=O)(=O)C1=CC=CC=C1 P24560 [0,2,0,0,0,0|1,0,1]=4 841 B13R1.122 CCCOS(=O)(=O)C1=CC=CC=C1 P50300 [0,2,0,0,0,0|1,0,0]=3 842 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 M54555 [0,2,0,0,0,0|1,0,1]=4 843 B13R1.696 COC(=O)C(=O)C1=C(Br)C=CC=C1 M51277 [0,2,0,0,0,0|2,0,0]=4 844 B13R1.696 CON(C)C(=O)C1=C(F)C=CC=C1 F49831 [0,2,0,0,0,0|2,0,0]=4 845 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 P50368 [0,2,0,0,0,0|2,0,0]=4 846 B13R1.347 CC(C)OS(=O)(=O)C1=CC=CC=C1 P50301 [0,2,0,0,0,0|1,0,0]=3 847 B13R1.352 C=C(O[Si](C)(C)C)C1=CC=CC=C1 T54974 [0,2,0,0,0,0|1,1,0]=4 848 B13R1.352 CC(C)(C)OC(=O)C1=CC=NC=C1 B52938 [0,2,0,0,0,0|1,0,0]=3 849 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 M62452 [0,2,0,0,0,0|2,0,0]=4 850 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 E53918 [0,2,0,0,0,0|0,0,0]=2 851 B13R1.464 CCOC(=O)C1=C(C#N)N=CC=C1 E69588 [0,2,0,0,0,0|1,0,0]=3 852 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=C1 E52451 [0,2,0,0,0,0|0,0,0]=2 853 B13R1.464 CCOC(=O)C1=C(NC)C=CC=C1 E52943 [0,2,0,0,0,0|0,0,0]=2 854 B13R1.4453 CCOC(=O)C1=C(Br)C=CC=C1F E51576 [0,2,0,0,0,0|0,0,0]=2 855 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1Br E64011 [0,2,0,0,0,0|1,0,0]=3 856 B13R1.4453 CCOC(=O)C1=C(C)N=CC=C1C E52941 [0,2,0,0,0,0|1,0,0]=3 857 B13R1.4453 CCOC(=O)C1=C(C)N=CN=C1Cl E20484 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1N E49805 [0,2,0,0,0,0|0,0,0]=2 859 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1O E51986 [0,2,0,0,0,0|0,0,0]=2 860 B13R1.4453 CCOC(=O)C1=C(Cl)C=CN=C1Cl E67747 [0,2,0,0,0,0|1,0,0]=3 861 B13R1.4453 CCOC(=O)C1=C(F)C=CC=C1F E51613 [0,2,0,0,0,0|0,0,0]=2 862 B13R1.4453 CCOC(=O)C1=C(O)C=CC=C1C E52826 [0,2,0,0,0,0|0,0,0]=2 863 B11R1.30 CCOC(=O)CC1=CC=CN1 E14510 [0,0,1,1,0,0|1,0,1]=4 864 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|1,0,1]=4 865 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [1,0,0,1,0,0|2,0,0]=4 866 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [1,0,0,1,0,0|2,0,0]=4 867 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [1,0,0,1,0,0|1,0,1]=4 868 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [1,0,0,1,0,0|1,0,1]=4 869 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [1,0,0,1,0,0|1,0,1]=4 870 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [1,0,0,1,0,0|1,0,0]=3 871 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [1,0,0,1,0,0|1,0,0]=3 872 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [1,0,0,1,0,0|1,0,0]=3 873 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [1,0,0,1,0,0|1,0,0]=3 874 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [1,0,0,1,0,0|2,0,0]=4 875 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [1,0,0,1,0,0|1,0,0]=3 876 B11R2.1 O=C1NCC2=C1C=CC=N2 D45227 [1,0,0,1,0,0|2,0,0]=4 877 B11R2.1 O=C1NCC2=C1C=NC=C2 D1721 [1,0,0,1,0,0|2,0,0]=4 878 B11R2.1 O=C1OCC2=C1C=CC=N2 F44926 [1,0,0,1,0,0|1,0,0]=3 879 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [1,0,0,1,0,0|1,0,1]=4 880 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [1,0,0,1,0,0|0,0,2]=4 881 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [1,0,0,1,0,0|0,0,2]=4 882 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [1,0,0,1,0,0|0,0,2]=4 883 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [1,0,0,1,0,0|1,0,1]=4 884 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [1,0,0,1,0,0|0,0,1]=3 885 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [1,0,0,1,0,0|2,0,0]=4 886 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [1,0,0,1,0,0|2,0,0]=4 887 B11R2.106 O=C1CCCC2=C1C=CO2 D49075 [0,0,0,1,1,0|2,0,0]=4 888 B11R2.106 O=C1CCCC2=C1C=CS2 B13835 [0,0,0,1,1,0|2,0,0]=4 889 B11R2.106 O=C1NCCC2=C1C=CO2 F60340 [0,0,0,1,1,0|2,0,0]=4 890 B13R2.15 O=C1NCCN1C2=CC=CC=C2 P61718 [0,0,0,1,0,1|1,0,0]=3 891 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 P52681 [0,0,0,1,0,1|2,0,0]=4 892 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 E54600 [0,0,0,1,0,1|2,0,0]=4 893 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [0,0,0,1,0,1|1,0,0]=3 894 B13R2.163 O=C1CCCC2=CC=CN=C2N1 D49730 [0,0,0,1,0,1|2,0,0]=4 895 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,0,0,1,0,1|1,0,1]=4 896 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,0,0,1,0,1|1,0,1]=4 897 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 P0629 [0,1,0,1,0,0|2,0,0]=4 898 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 P9416 [0,1,0,1,0,0|1,0,1]=4 899 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P13331 [0,1,0,1,0,0|1,0,1]=4 900 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P52920 [0,1,0,1,0,0|1,0,1]=4 901 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 P52921 [0,1,0,1,0,0|1,0,1]=4 902 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 P61270 [0,1,0,1,0,0|1,0,1]=4 903 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 P37550 [0,1,0,1,0,0|1,0,1]=4 904 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 E54603 [0,1,0,1,0,0|2,0,0]=4 905 B13R2.2931 CN1C=C(C=O)C2=C1C=CC=C2 M22052 [0,1,0,1,0,0|2,0,0]=4 906 B13R2.2931 CN1N=C(C=O)C2=C1C=CC=C2 M9333 [0,1,0,1,0,0|2,0,0]=4 907 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 M28000 [0,1,0,1,0,0|1,0,0]=3 908 B13R2.2931 N#C[IH2]1OC(=O)C2=C1C=CC=C2 X7072 [0,1,0,1,0,0|1,0,1]=4 909 B13R2.12 NC1=CC=C(C2=NCCN2)C=C1 D52095 [0,1,0,1,0,0|2,0,0]=4 910 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 B54044 [0,1,0,1,0,0|1,0,0]=3 911 B13R2.520 O=C(C1=CC=C(O)C=C1)C2CC2 C64010 [0,1,0,1,0,0|1,0,0]=3 912 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 M54549 [0,1,0,1,0,0|1,0,0]=3 913 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 M38414 [0,1,0,1,0,0|2,0,0]=4 914 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 M37521 [0,1,0,1,0,0|1,0,0]=3 915 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 A52556 [0,1,0,1,0,0|1,0,0]=3 916 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCO2 A51770 [0,1,0,1,0,0|2,0,0]=4 917 B13R2.5179 O=C1C=CC2=C(CCCC2=O)N1 D69120 [0,1,0,1,0,0|2,0,0]=4 918 B13R2.5179 O=C1CCCC2=C1C=CC(Br)=C2 B54046 [0,1,0,1,0,0|1,0,0]=3 919 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=C2 C54051 [0,1,0,1,0,0|1,0,0]=3 920 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=N2 C51525 [0,1,0,1,0,0|2,0,0]=4 921 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 F54057 [0,1,0,1,0,0|1,0,0]=3 922 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 K23149 [0,1,0,1,0,0|1,0,0]=3 923 B13R2.5179 O=C1CCCC2=C1C=CC(O)=C2 H52421 [0,1,0,1,0,0|1,0,0]=3 924 B13R2.5179 O=C1CCOC2=C1C=CC(Br)=C2 B51249 [0,1,0,1,0,0|2,0,0]=4 925 B13R2.5179 O=C1CCOC2=C1C=CC(Cl)=C2 C67703 [0,1,0,1,0,0|2,0,0]=4 926 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 F51257 [0,1,0,1,0,0|2,0,0]=4 927 B13R2.5179 O=C1CCOC2=C1C=CC(O)=C2 H51623 [0,1,0,1,0,0|2,0,0]=4 928 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 I13836 [0,1,0,1,0,0|1,0,0]=3 929 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 C11175 [0,1,0,1,0,0|1,0,0]=3 930 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 C13640 [0,1,0,1,0,0|2,0,0]=4 931 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 F51539 [0,1,0,1,0,0|1,0,0]=3 932 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 B0642 [0,1,0,1,0,0|1,0,1]=4 933 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 C37696 [0,1,0,1,0,0|1,0,1]=4 934 B13R2.5187 O=C1OC(=O)C2=C1C=CC(O)=C2 H22780 [0,1,0,1,0,0|1,0,1]=4 935 B13R2.13 BrC1=CC(C2OCCO2)=CC=C1 B51887 [0,1,0,1,0,0|0,0,2]=4 936 B13R2.13 [Mg+]C1=CC(C2OCCO2)=CC=C1 D31799 [0,1,0,1,0,0|0,0,2]=4 937 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O M54550 [0,1,0,1,0,0|1,0,0]=3 938 B13R2.162 CC1=CC2=C(C=C1)NCCC2=O M63241 [0,1,0,1,0,0|2,0,0]=4 939 B13R2.162 CC1=CC2=C(C=C1)OCCC2=O M52423 [0,1,0,1,0,0|2,0,0]=4 940 B13R2.162 CC1=CC2=C(C=C1)SCCC2=O M52499 [0,1,0,1,0,0|2,0,0]=4 941 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O A24794 [0,1,0,1,0,0|1,0,0]=3 942 B13R2.162 O=C1CCCC2=C1C=C(Br)C=C2 B3167 [0,1,0,1,0,0|1,0,0]=3 943 B13R2.162 O=C1CCCC2=C1C=C(Cl)C=C2 C54052 [0,1,0,1,0,0|1,0,0]=3 944 B13R2.162 O=C1CCCC2=C1C=C(F)C=C2 F54059 [0,1,0,1,0,0|1,0,0]=3 945 B13R2.162 O=C1CCCC2=C1C=C(I)C=C2 K63905 [0,1,0,1,0,0|1,0,0]=3 946 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 H22403 [0,1,0,1,0,0|1,0,0]=3 947 B13R2.162 O=C1CCCC2=NC=C(Cl)C=C12 C51526 [0,1,0,1,0,0|2,0,0]=4 948 B13R2.162 O=C1CCNC2=C1C=C(Br)C=C2 B25273 [0,1,0,1,0,0|2,0,0]=4 949 B13R2.162 O=C1CCNC2=C1C=C(Cl)C=C2 C51527 [0,1,0,1,0,0|2,0,0]=4 950 B13R2.162 O=C1CCOC2=C1C=C(Br)C=C2 B51248 [0,1,0,1,0,0|2,0,0]=4 951 B13R2.162 O=C1CCOC2=C1C=C(Cl)C=C2 C51254 [0,1,0,1,0,0|2,0,0]=4 952 B13R2.162 O=C1CCOC2=C1C=C(F)C=C2 F68324 [0,1,0,1,0,0|2,0,0]=4 953 B13R2.162 O=C1CCOC2=C1C=C(O)C=C2 H25459 [0,1,0,1,0,0|2,0,0]=4 954 B13R2.162 O=C1CCSC2=C1C=C(Br)C=C2 B51315 [0,1,0,1,0,0|2,0,0]=4 955 B13R2.162 O=C1COCC2=C1C=C(Br)C=C2 B38882 [0,1,0,1,0,0|2,0,0]=4 956 B13R2.162 O=C1NCCC2=C1C=C(Br)C=C2 B51520 [0,1,0,1,0,0|1,0,0]=3 957 B13R2.162 O=C1NCCC2=C1C=C(Cl)C=C2 C51531 [0,1,0,1,0,0|1,0,0]=3 958 B13R2.162 O=C1NCCC2=C1C=C(O)C=C2 H51788 [0,1,0,1,0,0|1,0,0]=3 959 B13R2.342 CC1=CC=CC2=C1CCNC2=O M69560 [0,1,0,1,0,0|1,0,0]=3 960 B13R2.342 CC1=CC=CC2=C1OCCC2=O M63718 [0,1,0,1,0,0|2,0,0]=4 961 B13R2.342 O=C1CCCC2=C(Br)C=CC=C12 B9400 [0,1,0,1,0,0|1,0,0]=3 962 B13R2.342 O=C1CCCC2=C(Cl)C=CC=C12 C54050 [0,1,0,1,0,0|1,0,0]=3 963 B13R2.342 O=C1CCCC2=C(F)C=CC=C12 F38818 [0,1,0,1,0,0|1,0,0]=3 964 B13R2.342 O=C1CCCC2=C1C=CC=C2O H65869 [0,1,0,1,0,0|1,0,0]=3 965 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 B61125 [0,1,0,1,0,0|2,0,0]=4 966 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 C51255 [0,1,0,1,0,0|2,0,0]=4 967 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 F51258 [0,1,0,1,0,0|2,0,0]=4 968 B13R2.342 O=C1CCSC2=C(Br)C=CC=C12 B63749 [0,1,0,1,0,0|2,0,0]=4 969 B13R2.342 O=C1NCCC2=C(Br)C=CC=C12 B51519 [0,1,0,1,0,0|1,0,0]=3 970 B13R2.342 O=C1NCCC2=C(F)C=CC=C12 F51538 [0,1,0,1,0,0|1,0,0]=3 971 B13R2.342 O=C1OC=CC2=C(Br)C=CC=C12 B50766 [0,1,0,1,0,0|0,0,2]=4 972 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 F47315 [0,1,0,1,0,0|1,0,1]=4 973 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 H29824 [0,1,0,1,0,0|1,0,1]=4 974 B13R2.371 C[C@H]1CCC(=O)C2=C1C=CC=C2 M54548 [0,1,0,1,0,0|1,0,0]=3 975 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 H69542 [0,1,0,1,0,0|1,0,0]=3 976 B13R2.371 O=C1CNC(=O)C2=C1C=CC=C2 D51185 [0,1,0,1,0,0|1,0,1]=4 977 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C50991 [0,1,0,1,0,0|0,0,1]=3 978 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 T16671 [0,1,0,1,0,0|1,0,0]=3 979 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 D64500 [0,1,0,1,0,0|1,0,0]=3 980 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 T52555 [0,1,0,1,0,0|1,0,0]=3 981 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 D69503 [0,1,0,1,0,0|1,0,0]=3 982 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 C62224 [0,1,0,1,0,0|1,0,0]=3 983 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [0,1,0,1,0,0|1,0,0]=3 984 B13R2.32 O=C1C2=C(C=CC=C2)CC[C@@H]1Br B54045 [0,1,0,1,0,0|1,0,0]=3 985 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 M61712 [0,1,0,1,0,0|2,0,0]=4 986 B13R2.8138 O=[S@](C1=CC=CC=C1)C2(Cl)CC2 C6898 [0,1,0,1,0,0|2,0,0]=4 987 B13R2.12159 CC1(C)CC(=O)C2=C1C=CC=C2 D54541 [0,1,0,1,0,0|1,0,0]=3 988 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 D10521 [0,1,0,1,0,0|1,0,0]=3 989 B13R2.12159 CC1(C)OB(O)C2=C1C=CC=C2 D50121 [0,1,0,1,0,0|1,0,1]=4 990 B13R2.12159 O=C1OI(=O)(O)C2=C1C=CC=C2 K67404 [0,1,0,1,0,0|2,0,0]=4 991 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 S62295 [0,1,0,1,0,0|2,0,0]=4 992 B13R2.18 BrC1=C(C2OCCO2)C=CC=C1 B51886 [0,1,0,1,0,0|0,0,2]=4 993 B13R2.18 [Mg+]C1=C(C2OCCO2)C=CC=C1 D31798 [0,1,0,1,0,0|0,0,2]=4 994 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 M63737 [0,1,0,1,0,0|2,0,0]=4 995 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 M52554 [0,1,0,1,0,0|1,0,0]=3 996 B13R2.4818 O=C1CCOC2=CC=CC(Br)=C12 B37547 [0,1,0,1,0,0|2,0,0]=4 997 B9R1.11 CCC(=O)C1=NC=CS1 T43174 [1,0,0,0,1,0|2,0,0]=4 998 B9R1.11 COC(=O)C1=CC=CN1 M11015 [1,0,0,0,1,0|1,0,0]=3 999 B9R1.11 COC(=O)C1=CC=CO1 M39270 [1,0,0,0,1,0|1,0,0]=3 1000 B9R1.11 COC(=O)C1=CC=CS1 M42941 [1,0,0,0,1,0|1,0,0]=3 1001 B9R1.11 COC(=O)C1=CC=NN1 M12748 [1,0,0,0,1,0|2,0,0]=4 1002 B9R1.11 COC(=O)C1=CN=CN1 M14078 [1,0,0,0,1,0|2,0,0]=4 1003 B9R1.11 COC(=O)C1=CN=CN1 M41348 [1,0,0,0,1,0|2,0,0]=4 1004 B9R1.11 COC(=O)C1=CN=CO1 M40997 [1,0,0,0,1,0|2,0,0]=4 1005 B9R1.11 COC(=O)C1=CN=CS1 M2158 [1,0,0,0,1,0|2,0,0]=4 1006 B9R1.11 COC(=O)C1=CNC=C1 M37783 [1,0,0,0,1,0|1,0,0]=3 1007 B9R1.11 COC(=O)C1=CNN=C1 P8955 [1,0,0,0,1,0|2,0,0]=4 1008 B9R1.11 COC(=O)C1=CSC=C1 M12826 [1,0,0,0,1,0|1,0,0]=3 1009 B9R1.11 COC(=O)C1=CSC=N1 M2932 [1,0,0,0,1,0|2,0,0]=4 1010 B9R1.11 COC(=O)C1=NC=CN1 M11275 [1,0,0,0,1,0|2,0,0]=4 1011 B9R1.11 COC(=O)C1=NC=CO1 M40998 [1,0,0,0,1,0|2,0,0]=4 1012 B9R1.11 COC(=O)C1=NC=CS1 M40994 [1,0,0,0,1,0|2,0,0]=4 1013 B9R1.11 O=C(CBr)C1=CC=CS1 B42721 [1,0,0,0,1,0|2,0,0]=4 1014 B9R1.12 CCOCC1=CC=CO1 E38338 [1,0,0,0,1,0|1,0,1]=4 1015 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P56074 [0,0,0,0,0,2|1,0,0]=3 1016 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E62302 [0,0,0,0,0,2|0,0,0]=2 1017 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 P52940 [0,0,0,0,0,2|0,0,0]=2 1018 B13R1.42 CCOC(=O)COC1=CN=CC=C1 E50088 [0,0,0,0,0,2|1,0,0]=3 1019 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [0,0,0,0,0,2|0,0,0]=2 1020 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 B62459 [0,0,0,0,0,2|2,0,0]=4 1021 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 B68220 [0,0,0,0,0,2|2,0,0]=4