0 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.32 CCOC(=O)CC1=NC=CC=N1 E14448 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.32 CCOC(=O)CC1=NN=CC=C1 E18257 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 C51350 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.40 COC(=O)CC1=CN=NC=C1 M10235 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.40 COC(=O)CC1=NC=CC=N1 M46001 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.40 COC(=O)CC1=NC=NC=C1 M12914 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.40 COC(=O)CC1=NN=CC=C1 M10253 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [1,0,0,0,0,0|2,0,1]=4 43 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 B66324 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 E39598 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 E54764 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 E37347 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 E52643 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 E52825 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 E26478 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.19 CCOC(=O)CC1=CN=C(Cl)C=C1 E49806 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 E26479 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.19 CCOC(=O)CC1=CN=C(N)C=C1 E50182 [0,1,0,0,0,0|1,0,0]=2 53 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 E7704 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=N1 E14449 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 E17839 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 M12778 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 E1730 [0,1,0,0,0,0|1,0,0]=2 58 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 E12791 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 E1822 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.20 CCOC(=O)CC1=CC(O)=CC=C1 E52824 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.20 CCOC(=O)CC1=CC=CC(Br)=C1 E52616 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=C1 E52635 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.20 CCOC(=O)CC1=CC=CC(Cl)=N1 E49815 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.20 CCOC(=O)CC1=CC=CC(F)=C1 E52642 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.20 CCOC(=O)CC1=NC(C)=CC=C1 E52964 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 E9002 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.20 CCOC(=O)CC1=NC=CC(Br)=C1 E37568 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.20 CCOC(=O)CC1=NC=NC(C)=C1 E14451 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 A52450 [0,1,0,0,0,0|1,0,1]=3 70 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 E15017 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.47 CCOC(=O)[C@@H](N)C1=CC=CC=C1 E63316 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 E8869 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E15413 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E61729 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 M52961 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 M56079 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=N1 E22128 [0,1,0,0,0,0|1,0,0]=2 78 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 E24006 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=N1 E49181 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.470 CCOC(=O)CC1=C(Cl)C=CC=C1 E52634 [0,1,0,0,0,0|0,0,0]=1 81 B13R1.470 CCOC(=O)CC1=C(F)C=CC=C1 E52639 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.470 CCOC(=O)CC1=C(I)C=CC=C1 E52649 [0,1,0,0,0,0|0,0,0]=1 83 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 E54158 [0,1,0,0,0,0|0,0,0]=1 84 B13R1.470 CCOC(=O)CC1=C(O)N=CN=C1 E36836 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl E0581 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.470 CCOC(=O)CC1=CN=CN=C1Cl E24593 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.470 CCOC(=O)CC1=NC=CC=C1N E50181 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.470 CCOC(=O)CC1=NC=CC=C1O E13461 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.15 O=C1NCCN1C2=CC=CC=C2 P61718 [0,0,0,1,0,0|2,0,0]=3 90 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 P52681 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 B61072 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.64 C1=CC=C(C[S+]2CCCC2)C=C1 T8209 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 E54600 [0,0,0,1,0,0|2,0,1]=4 94 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [0,0,0,1,0,0|2,0,0]=3 95 B13R2.163 O=C1CCCC2=CC=CN=C2N1 D49730 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [0,0,0,1,0,0|2,0,1]=4 97 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,0,0,1,0,0|1,0,1]=3 98 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,0,0,1,0,0|2,0,1]=4 99 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,0,0,0,1,0|1,0,1]=3 100 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,0,0,0,1,0|2,0,0]=3 102 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,0,0,0,1,0|2,0,1]=4 103 B11R1.16 CCOC(=N)C1=CC=NC=C1 E46648 [0,0,0,0,1,0|2,0,0]=3 104 B11R1.16 CCOC(=O)C1=CC=NC=C1 E69401 [0,0,0,0,1,0|1,0,0]=2 105 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [0,0,0,0,1,0|1,0,0]=2 106 B11R1.16 CCOC(=O)C1=CN=NC=C1 E23449 [0,0,0,0,1,0|2,0,0]=3 107 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [0,0,0,0,1,0|1,0,0]=2 108 B11R1.16 CCOC(=O)C1=NC=CC=N1 E46004 [0,0,0,0,1,0|2,0,0]=3 109 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [0,0,0,0,1,0|2,0,0]=3 110 B11R1.16 CCOC(=O)C1=NC=NC=C1 E46000 [0,0,0,0,1,0|2,0,0]=3 111 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [0,0,0,0,1,0|1,0,0]=2 112 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,0,0,0,1,0|2,0,1]=4 113 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [0,0,0,0,1,0|1,0,0]=2 114 B11R1.30 CCOC(=O)CC1=CC=CN1 E14510 [0,0,0,0,1,0|1,0,0]=2 115 B11R1.30 CCOC(=O)CC1=NC=CS1 E46416 [0,0,0,0,1,0|2,0,0]=3 116 B11R1.30 CCOC(=O)CC1=NNC=C1 E25544 [0,0,0,0,1,0|2,0,0]=3 117 B11R1.30 CCOC(=O)CN1C=CN=C1 E43650 [0,0,0,0,1,0|2,0,0]=3 118 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P56074 [0,0,0,0,0,1|1,0,0]=2 119 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E62302 [0,0,0,0,0,1|0,0,1]=2 120 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 P52940 [0,0,0,0,0,1|0,0,0]=1 121 B13R1.42 CCOC(=O)COC1=CN=CC=C1 E50088 [0,0,0,0,0,1|1,0,0]=2 122 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [0,0,0,0,0,1|0,0,1]=2 123 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 B62459 [0,0,0,0,0,1|2,0,0]=3 124 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 B52289 [0,0,0,0,0,1|2,0,1]=4 125 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 B53915 [0,0,0,0,0,1|2,0,1]=4 126 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 B68220 [0,0,0,0,0,1|2,0,0]=3 127 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|0,0,2]=4 129 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|1,0,1]=4 132 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,0]=3 133 B10R1.17 CCNCC1=NC=CC=C1 P46970 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|0,0,0]=2 135 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [2,0,0,0,0,0|1,0,0]=3 137 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [2,0,0,0,0,0|1,0,0]=3 138 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [2,0,0,0,0,0|1,0,0]=3 146 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [2,0,0,0,0,0|2,0,0]=4 155 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [1,1,0,0,0,0|0,0,1]=3 163 B12R1.252 CC(C)OCCC1=NC=CC=C1 P63699 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [1,1,0,0,0,0|0,0,1]=3 166 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [1,1,0,0,0,0|0,0,0]=2 167 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [1,1,0,0,0,0|0,0,0]=2 168 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [1,1,0,0,0,0|0,0,0]=2 169 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [1,1,0,0,0,0|0,0,0]=2 170 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [1,1,0,0,0,0|0,0,0]=2 171 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [1,1,0,0,0,0|0,0,0]=2 172 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [1,1,0,0,0,0|0,0,0]=2 173 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [1,1,0,0,0,0|1,0,0]=3 174 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [1,1,0,0,0,0|0,0,0]=2 175 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [1,1,0,0,0,0|0,0,0]=2 176 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [1,1,0,0,0,0|0,0,0]=2 177 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [1,1,0,0,0,0|0,0,0]=2 178 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [1,1,0,0,0,0|0,0,0]=2 179 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [1,1,0,0,0,0|0,0,0]=2 180 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 M50074 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 M25037 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 M10106 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.49 COC(=O)CC1=NC=C(Br)C=N1 M15235 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 M45670 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 F49198 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 B62262 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 M37671 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [1,1,0,0,0,0|0,0,0]=2 189 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 M62883 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [1,1,0,0,0,0|0,0,0]=2 191 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [1,1,0,0,0,0|0,0,0]=2 192 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [1,1,0,0,0,0|0,0,0]=2 193 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [1,1,0,0,0,0|0,0,0]=2 194 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [1,1,0,0,0,0|0,0,0]=2 195 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 M48959 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [1,1,0,0,0,0|0,0,0]=2 197 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 M29585 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.50 COC(=O)CC1=NC=CC(C)=C1 M50073 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 C64587 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.118 CCN(CC)CC1=CC=CC=C1 B60762 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [1,1,0,0,0,0|0,0,0]=2 202 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 M1596 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 M63870 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [1,1,0,0,0,0|0,0,0]=2 205 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [1,1,0,0,0,0|0,0,0]=2 206 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [1,1,0,0,0,0|0,0,0]=2 208 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [1,1,0,0,0,0|0,0,0]=2 209 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 M67182 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C68955 [0,1,0,0,1,0|2,0,0]=4 211 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [0,1,0,0,1,0|1,0,0]=3 212 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [0,1,0,0,1,0|1,0,0]=3 213 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 C49858 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 E69403 [0,1,0,0,1,0|0,0,0]=2 215 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 E68949 [0,1,0,0,1,0|0,0,0]=2 216 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E69037 [0,1,0,0,1,0|0,0,0]=2 217 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E39579 [0,1,0,0,1,0|0,0,0]=2 218 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 E48903 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.16 CCOC(=O)C1=CN=C(Br)N=C1 E45639 [0,1,0,0,1,0|2,0,0]=4 220 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 E10450 [0,1,0,0,1,0|1,0,0]=3 221 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 E7684 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E39503 [0,1,0,0,1,0|1,0,0]=3 223 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 E11018 [0,1,0,0,1,0|2,0,0]=4 224 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E3775 [0,1,0,0,1,0|1,0,0]=3 225 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 E24339 [0,1,0,0,1,0|2,0,0]=4 226 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 E49308 [0,1,0,0,1,0|1,0,0]=3 227 B12R1.16 CCOC(=O)C1=CN=C(O)N=C1 E46039 [0,1,0,0,1,0|2,0,0]=4 228 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 E38711 [0,1,0,0,1,0|1,0,0]=3 229 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 E45640 [0,1,0,0,1,0|2,0,0]=4 230 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 E50035 [0,1,0,0,1,0|1,0,0]=3 231 B12R1.16 CCOC(=O)C1=NC=C(C)N=C1 E46680 [0,1,0,0,1,0|2,0,0]=4 232 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 E48935 [0,1,0,0,1,0|1,0,0]=3 233 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 E17739 [0,1,0,0,1,0|2,0,0]=4 234 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 E37999 [0,1,0,0,1,0|2,0,0]=4 235 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 E45662 [0,1,0,0,1,0|2,0,0]=4 236 B12R1.16 CCOC(=O)C1=NN=C(N)C=C1 E9092 [0,1,0,0,1,0|2,0,0]=4 237 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [0,1,0,0,1,0|2,0,0]=4 238 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B51653 [0,1,0,0,1,0|2,0,0]=4 239 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 C51659 [0,1,0,0,1,0|2,0,0]=4 240 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 E49117 [0,1,0,0,1,0|1,0,0]=3 241 B12R1.17 CCOC(=O)C1=CC(=O)N=CN1 E9424 [0,1,0,0,1,0|2,0,0]=4 242 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 E48906 [0,1,0,0,1,0|1,0,0]=3 243 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 E62072 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 E48953 [0,1,0,0,1,0|1,0,0]=3 245 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 E7681 [0,1,0,0,1,0|2,0,0]=4 246 B12R1.17 CCOC(=O)C1=CC(Cl)=NN=C1 E45663 [0,1,0,0,1,0|2,0,0]=4 247 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 E64578 [0,1,0,0,1,0|0,0,0]=2 248 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 E46664 [0,1,0,0,1,0|1,0,0]=3 249 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 E39534 [0,1,0,0,1,0|0,0,0]=2 250 B12R1.17 CCOC(=O)C1=CC=CC(Br)=C1 E51874 [0,1,0,0,1,0|0,0,0]=2 251 B12R1.17 CCOC(=O)C1=CC=CC(Br)=N1 E48924 [0,1,0,0,1,0|1,0,0]=3 252 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 E51913 [0,1,0,0,1,0|0,0,0]=2 253 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=N1 E48936 [0,1,0,0,1,0|1,0,0]=3 254 B12R1.17 CCOC(=O)C1=CC=CC(I)=C1 E39580 [0,1,0,0,1,0|0,0,0]=2 255 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 E37478 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.17 CCOC(=O)C1=CC=NC(Cl)=N1 E45660 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.17 CCOC(=O)C1=CN=CC(C)=C1 E50034 [0,1,0,0,1,0|1,0,0]=3 258 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 E45658 [0,1,0,0,1,0|2,0,0]=4 259 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 E49307 [0,1,0,0,1,0|1,0,0]=3 260 B12R1.17 CCOC(=O)C1=NC(C)=CC=N1 E37556 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 E32237 [0,1,0,0,1,0|1,0,0]=3 262 B12R1.17 CCOC(=O)C1=NC(N)=CC=N1 E46348 [0,1,0,0,1,0|2,0,0]=4 263 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 E61742 [0,1,0,0,1,0|2,0,0]=4 264 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 E48902 [0,1,0,0,1,0|1,0,0]=3 265 B12R1.17 CCOC(=O)C1=NC=CC(Cl)=C1 E48934 [0,1,0,0,1,0|1,0,0]=3 266 B12R1.17 CCOC(=O)C1=NC=CC(N)=C1 E15648 [0,1,0,0,1,0|1,0,0]=3 267 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 E46851 [0,1,0,0,1,0|1,0,0]=3 268 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,1,0|1,0,1]=4 269 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [0,1,0,0,1,0|0,0,0]=2 270 B12R1.308 CCOC(=O)C1=C(Br)C=CC=N1 E48901 [0,1,0,0,1,0|1,0,0]=3 271 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 M12679 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 E50033 [0,1,0,0,1,0|1,0,0]=3 273 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 E16600 [0,1,0,0,1,0|2,0,0]=4 274 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 E14645 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.308 CCOC(=O)C1=C(Cl)C=NC=C1 E48937 [0,1,0,0,1,0|1,0,0]=3 276 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 E51932 [0,1,0,0,1,0|0,0,0]=2 277 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 E51956 [0,1,0,0,1,0|0,0,0]=2 278 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 E46678 [0,1,0,0,1,0|1,0,0]=3 279 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 E7576 [0,1,0,0,1,0|1,0,0]=3 280 B12R1.308 CCOC(=O)C1=C(N)N=CN=C1 E46349 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46040 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46041 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.308 CCOC(=O)C1=CC=CN=C1Br E38351 [0,1,0,0,1,0|1,0,0]=3 284 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E39502 [0,1,0,0,1,0|1,0,0]=3 285 B12R1.308 CCOC(=O)C1=CC=NNC1=O E62071 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl E45661 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.308 CCOC(=O)C1=NC=CC=C1C E24419 [0,1,0,0,1,0|1,0,0]=3 288 B12R1.308 CCOC(=O)C1=NC=CC=C1N E46661 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl E45657 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.308 CCOC(=O)C1=NN=CC=C1C M14117 [0,1,0,0,1,0|2,0,0]=4 291 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [0,1,0,0,1,0|2,0,0]=4 292 B12R1.31 CCOC(=O)CC1=CN(C)C=N1 E46984 [0,1,0,0,1,0|2,0,0]=4 293 B12R1.31 CCOC(=O)CC1=CN=C(Br)S1 E46135 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.31 CCOC(=O)CC1=CN=C(N)S1 E4061 [0,1,0,0,1,0|2,0,0]=4 295 B12R1.31 CCOC(=O)CC1=CSC(Cl)=N1 E3098 [0,1,0,0,1,0|2,0,0]=4 296 B12R1.31 CCOC(=O)CC1=CSC(N)=N1 E61520 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.31 CCOC(=O)CC1=CSC(N)=N1 E67421 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.31 CCOC(=O)CN1C=C(Br)C=N1 E61693 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.55 CCOC(=O)C(=O)C1=CC=CS1 E12820 [0,1,0,0,1,0|1,0,1]=4 300 B14R1.29 CCOC(=O)C=C(C)C1=CC=CC=C1 E55917 [0,1,0,0,0,1|0,0,1]=3 301 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 E7874 [0,1,0,0,0,1|1,0,0]=3 302 B14R1.29 CCOC(=O)CC(=O)C1=CN=CC=C1 E13942 [0,1,0,0,0,1|1,0,0]=3 303 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 E52593 [0,1,0,0,0,1|1,0,0]=3 304 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 E55507 [0,1,0,0,0,1|0,0,0]=2 305 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 E54240 [0,1,0,0,0,1|1,0,0]=3 306 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 E54794 [0,1,0,0,0,1|0,0,0]=2 307 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 E66327 [0,1,0,0,0,1|0,0,0]=2 308 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 E52756 [0,1,0,0,0,1|0,0,0]=2 309 B14R1.60 CCOC(=O)C(=O)CC1=NC=CN=C1 E61637 [0,1,0,0,0,1|2,0,0]=4 310 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 E68535 [0,1,0,0,0,1|0,0,0]=2 311 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 A39675 [0,1,0,0,0,1|0,0,2]=4 312 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 B36901 [0,1,0,0,0,1|1,0,0]=3 313 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 B54180 [0,1,0,0,0,1|1,0,0]=3 314 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 B54663 [0,1,0,0,0,1|1,0,0]=3 315 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 B61831 [0,1,0,0,0,1|1,0,0]=3 316 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 B36632 [0,1,0,0,0,1|1,0,0]=3 317 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 E55405 [0,1,0,0,0,1|0,0,1]=3 318 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 E38388 [0,1,0,0,0,1|0,0,0]=2 319 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [0,1,0,0,0,1|0,0,0]=2 320 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 E54678 [0,1,0,0,0,1|0,0,0]=2 321 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 E54798 [0,1,0,0,0,1|0,0,0]=2 322 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 E65342 [0,1,0,0,0,1|0,0,0]=2 323 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E54450 [0,1,0,0,0,1|0,0,1]=3 324 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E61841 [0,1,0,0,0,1|0,0,1]=3 325 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 E54669 [0,1,0,0,0,1|0,0,0]=2 326 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 E52853 [0,1,0,0,0,1|0,0,0]=2 327 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 S37965 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B68819 [0,1,0,0,0,1|1,0,1]=4 329 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 E22198 [0,2,0,0,0,0|0,0,1]=3 330 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C)C=C1 E54571 [0,2,0,0,0,0|0,0,1]=3 331 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 E54025 [0,2,0,0,0,0|0,0,1]=3 332 B14R1.35 CCOC(=O)C(=O)C1=CC=C(O)C=C1 E52483 [0,2,0,0,0,0|0,0,1]=3 333 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(Cl)C=C1 E52444 [0,2,0,0,0,0|0,0,0]=2 334 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(F)C=C1 E38893 [0,2,0,0,0,0|0,0,0]=2 335 B14R1.954 CCOC(=O)CC1=CC=C(C#N)C=C1 E67596 [0,2,0,0,0,0|0,0,0]=2 336 B14R1.954 CCOC(=O)CC1=CC=C(C=O)C=C1 E39063 [0,2,0,0,0,0|0,0,0]=2 337 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 A3089 [0,2,0,0,0,0|0,0,0]=2 338 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 E54790 [0,2,0,0,0,0|0,0,0]=2 339 B14R1.967 CCOC(=O)CC1=CC(N)=C(F)C=C1 E61407 [0,2,0,0,0,0|0,0,0]=2 340 B14R1.17 CCOC(=O)CC1=CC=CC(Br)=C1C E54672 [0,2,0,0,0,0|0,0,0]=2 341 B14R1.17 CCOC(=O)CN1C=CN=C(O)C1=O E15018 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.952 CCOC(=O)CC1=CC(Cl)=CC(Cl)=C1 E36741 [0,2,0,0,0,0|0,0,0]=2 343 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 P38680 [0,2,0,0,0,0|1,0,1]=4 344 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [0,2,0,0,0,0|1,0,1]=4 345 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 E56083 [0,2,0,0,0,0|0,0,0]=2 346 B14R1.510 CCOC(=O)C(F)(F)C1=NC=CC=C1 E14104 [0,2,0,0,0,0|1,0,0]=3 347 B14R1.604 CCOC(=O)[C@H](C#N)C1=CC=CC=C1 E54414 [0,2,0,0,0,0|0,0,0]=2 348 B14R1.604 CCOC(=O)[C@H](C#N)C1=NC=CC=N1 E51723 [0,2,0,0,0,0|2,0,0]=4 349 B14R1.3348 CCOC(=O)C(=O)C1=C(Cl)C=CC=C1 E24590 [0,2,0,0,0,0|0,0,1]=3 350 B14R1.3348 CCOC(=O)C(=O)C1=C(F)C=CC=C1 E54029 [0,2,0,0,0,0|0,0,1]=3 351 B14R1.3348 CCOC(=O)[C@H](N)C1=C(Cl)C=NC=C1 E49987 [0,2,0,0,0,0|1,0,0]=3 352 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 B53043 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.433 CC(C)(C)OC(=O)NC1=CN=CC=C1 B53048 [0,2,0,0,0,0|2,0,0]=4 354 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 B0024 [0,2,0,0,0,0|2,0,0]=4 355 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 B68304 [0,2,0,0,0,0|1,0,0]=3 356 B14R1.965 CCOC(=O)CC1=C(C#N)C=CC=C1 E54415 [0,2,0,0,0,0|0,0,0]=2 357 B14R1.19171 CCOC(=O)CC1=C(F)C=CC=C1F E38701 [0,2,0,0,0,0|0,0,0]=2 358 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [1,0,0,1,0,0|2,0,0]=4 359 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [1,0,0,1,0,0|2,0,0]=4 360 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [1,0,0,1,0,0|2,0,0]=4 361 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [1,0,0,1,0,0|2,0,0]=4 362 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [1,0,0,1,0,0|2,0,0]=4 363 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [1,0,0,1,0,0|1,0,1]=4 364 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [1,0,0,1,0,0|1,0,1]=4 365 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [1,0,0,1,0,0|1,0,1]=4 366 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [1,0,0,1,0,0|1,0,1]=4 367 B12R2.41 C1=CC2=C(C=C1)CCNCC2 T10517 [1,0,0,1,0,0|1,0,1]=4 368 B12R2.41 C1=CC2=C(C=C1)CNCCC2 T69161 [1,0,0,1,0,0|2,0,0]=4 369 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [1,0,0,1,0,0|1,0,1]=4 370 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [1,0,0,1,0,0|1,0,1]=4 371 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [1,0,0,1,0,0|2,0,0]=4 372 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 M18676 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [1,0,0,1,0,0|1,0,1]=4 376 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [1,0,0,1,0,0|1,0,1]=4 377 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [1,0,0,1,0,0|1,0,1]=4 378 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [1,0,0,1,0,0|0,0,0]=2 379 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [1,0,0,1,0,0|1,0,0]=3 380 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 D13325 [1,0,0,1,0,0|2,0,0]=4 381 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [1,0,0,1,0,0|2,0,0]=4 382 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [1,0,0,1,0,0|2,0,0]=4 383 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [1,0,0,1,0,0|2,0,0]=4 384 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [1,0,0,1,0,0|2,0,0]=4 385 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [1,0,0,1,0,0|0,0,2]=4 386 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [1,0,0,1,0,0|1,0,1]=4 387 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 E37955 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [1,0,0,1,0,0|1,0,1]=4 389 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,0,0,1,1,0|2,0,0]=4 390 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [0,0,0,1,1,0|2,0,0]=4 391 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [0,0,0,1,1,0|1,0,0]=3 392 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,0,0,1,1,0|1,0,0]=3 393 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [0,0,0,1,1,0|2,0,0]=4 394 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [0,0,0,1,1,0|2,0,0]=4 395 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 P52557 [0,0,0,1,0,1|2,0,0]=4 396 B14R2.30 O=C1OCC=C1SC2=CC=CC=C2 P5648 [0,0,0,1,0,1|0,0,2]=4 397 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [0,0,0,1,0,1|1,0,0]=3 398 B14R2.926 O=C1CCCN1C2=CC=C(F)C=C2 F52399 [0,1,0,1,0,0|2,0,0]=4 399 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 A14224 [0,1,0,1,0,0|2,0,0]=4 400 B14R2.269 O=C1NCCN1C2=CC=CC(Cl)=C2 C51695 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 A1769 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.28454 O=C1CCCC2=C(F)C=CC=C2N1 F52402 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 B54854 [0,1,0,1,0,0|1,0,1]=4 404 B14R2.24 O=C1CCCCN1C2=CC=CC=C2 P66658 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.24 O=C1CCCC[C@@H]1C2=CC=CC=C2 P55912 [0,1,0,1,0,0|1,0,0]=3 406 B14R2.24 O=C1COCCN1C2=CC=CC=C2 P38229 [0,1,0,1,0,0|1,0,0]=3 407 B14R2.24 O=C1NCCN[C@@H]1C2=CC=CC=C2 P13422 [0,1,0,1,0,0|1,0,0]=3 408 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 P10756 [0,1,0,1,0,0|1,0,0]=3 409 B14R2.24 O=C1NCCN[C@H]1C2=CC=CC=C2 P13421 [0,1,0,1,0,0|1,0,0]=3 410 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O M64138 [0,1,0,1,0,0|1,0,0]=3 411 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O A52692 [0,1,0,1,0,0|2,0,0]=4 412 B14R2.741 O=C1NC2=C(C=CC=C2)CC[C@@H]1Br B52396 [0,1,0,1,0,0|2,0,0]=4 413 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 F52403 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.4621 O=C(CC1=C(F)C=CC=C1)C2CC2 C20123 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,0,0,0,1,0|1,0,0]=3 416 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [1,0,0,0,1,0|1,0,0]=3 417 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [1,0,0,0,1,0|2,0,0]=4 418 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [1,0,0,0,1,0|2,0,0]=4 419 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,0,0,0,1,0|1,0,1]=4 420 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [1,0,0,0,1,0|1,0,0]=3 421 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [1,0,0,0,1,0|2,0,0]=4 422 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [1,0,0,0,1,0|2,0,0]=4 423 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [1,0,0,0,1,0|1,0,0]=3 424 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [1,0,0,0,1,0|2,0,0]=4 425 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [1,0,0,0,1,0|2,0,0]=4 426 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [1,0,0,0,1,0|2,0,0]=4 427 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [1,0,0,0,1,0|2,0,0]=4 428 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,0,0,0,1,0|1,0,0]=3 429 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [1,0,0,0,1,0|2,0,0]=4 430 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [1,0,0,0,1,0|2,0,0]=4 431 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [1,0,0,0,1,0|2,0,0]=4 432 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [1,0,0,0,1,0|2,0,0]=4 433 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,0,0,0,1,0|1,0,0]=3 434 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,0,0,0,1,0|1,0,1]=4 435 B10R1.27 COC(=O)CC1=CSC=C1 M12831 [1,0,0,0,1,0|1,0,0]=3 436 B10R1.11 CCOC(=O)C1=CC=CN1 E22399 [0,0,0,0,2,0|1,0,0]=3 437 B10R1.11 CCOC(=O)C1=CC=NO1 E43160 [0,0,0,0,2,0|2,0,0]=4 438 B10R1.11 CCOC(=O)C1=CN=CN1 E22557 [0,0,0,0,2,0|2,0,0]=4 439 B10R1.11 CCOC(=O)C1=CN=CO1 E10769 [0,0,0,0,2,0|2,0,0]=4 440 B10R1.11 CCOC(=O)C1=CN=CS1 E9760 [0,0,0,0,2,0|2,0,0]=4 441 B10R1.11 CCOC(=O)C1=CNC=C1 E46399 [0,0,0,0,2,0|1,0,0]=3 442 B10R1.11 CCOC(=O)C1=CNN=C1 E8068 [0,0,0,0,2,0|2,0,0]=4 443 B10R1.11 CCOC(=O)C1=COC=C1 E69380 [0,0,0,0,2,0|1,0,0]=3 444 B10R1.11 CCOC(=O)C1=COC=N1 E2170 [0,0,0,0,2,0|2,0,0]=4 445 B10R1.11 CCOC(=O)C1=CON=C1 E8088 [0,0,0,0,2,0|2,0,0]=4 446 B10R1.11 CCOC(=O)C1=CSC=C1 E46245 [0,0,0,0,2,0|1,0,0]=3 447 B10R1.11 CCOC(=O)C1=CSC=N1 E2134 [0,0,0,0,2,0|2,0,0]=4 448 B10R1.11 CCOC(=O)C1=NC=CN1 E23112 [0,0,0,0,2,0|2,0,0]=4 449 B10R1.11 CCOC(=O)C1=NC=CO1 E23077 [0,0,0,0,2,0|2,0,0]=4 450 B10R1.11 CCOC(=O)C1=NC=CS1 E43151 [0,0,0,0,2,0|2,0,0]=4 451 B10R1.11 CCOC(=O)C1=NNC=C1 E0715 [0,0,0,0,2,0|2,0,0]=4 452 B10R1.11 CCOC(=O)C1=NOC=C1 E7434 [0,0,0,0,2,0|2,0,0]=4 453 B10R1.11 CCOC(=O)N1C=CN=C1 E43219 [0,0,0,0,2,0|2,0,0]=4 454 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 E53049 [0,0,0,0,0,2|1,0,0]=3 455 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [0,0,0,0,0,2|0,0,0]=2 456 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [0,0,0,0,0,2|0,0,0]=2 457 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [0,0,0,0,0,2|0,0,0]=2 458 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [0,0,0,0,0,2|0,0,0]=2