0 B13R2.435 BrC(Br)C1=NC2=CC=CC=C2S1 MCULE-4753917165 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.435 CC(=O)C1=CC2=C(S1)C=NC=C2 MCULE-4402332272 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 MCULE-7713612036 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 MCULE-3860132168 [0,0,0,0,0,0|2,1,1]=4 4 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 MCULE-3019120601 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.435 CC(=O)C1=CC2=CC=CN=C2S1 MCULE-7306264727 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 MCULE-4012466788 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.435 CC(C)C1=CC2=C(N1)C=CC=C2 MCULE-1970621127 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.435 CC(C)C1=NC2=C(S1)C=CC=C2 MCULE-2448013651 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.435 CC(N)C1=CC2=C(O1)C=CC=C2 MCULE-5845705020 [0,0,0,0,0,0|3,1,0]=4 10 B13R2.435 CC(N)C1=CC2=C(S1)C=CC=C2 MCULE-7006244958 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.435 CC(N)C1=CC2=C(S1)C=CC=C2 MCULE-9832340324 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.435 CC(N)C1=CC2=CC=CC=C2O1 MCULE-9791173379 [0,0,0,0,0,0|3,1,0]=4 13 B13R2.435 CC(N)C1=NC2=C(S1)C=CC=C2 MCULE-9503033458 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.435 CC(N)C1=NC2=C(S1)C=CC=C2 MCULE-9779648066 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.435 CC(N)C1=NC2=CC=CC=C2S1 MCULE-4130119297 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.435 CC(O)C1=CC2=C(N1)C=CC=C2 MCULE-1784912298 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.435 CC(O)C1=CC2=CC=CC=C2S1 MCULE-1317877084 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.435 CC(O)C1=NC2=C(O1)C=CC=C2 MCULE-1007501203 [0,0,0,0,0,0|3,1,0]=4 19 B13R2.435 CC(O)C1=NC2=C(S1)C=CC=C2 MCULE-2849305247 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.435 CC(O)C1=NC2=CC=CC=C2N1 MCULE-6410863119 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.435 CC(S)C1=CC2=C(O1)C=CC=C2 MCULE-3396166818 [0,0,0,0,0,0|2,2,0]=4 22 B13R2.435 CN(C)C1=NC2=C(S1)C=CC=C2 MCULE-5326870879 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.435 CS(=O)C1=NC2=C(S1)C=CC=C2 MCULE-2624136416 [0,0,0,0,0,0|3,0,1]=4 24 B13R2.435 C[C@@H](O)C1=NC2=C(N1)C=CC=C2 MCULE-8535475703 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.435 C[C@H](N)C1=CC2=C(O1)C=CC=C2 MCULE-1758431183 [0,0,0,0,0,0|3,1,0]=4 26 B13R2.435 C[C@H](O)C1=CC2=C(O1)C=CC=C2 MCULE-8254842536 [0,0,0,0,0,0|2,1,0]=3 27 B13R2.435 C[C@H](O)C1=NC2=C(N1)C=CC=C2 MCULE-6194493173 [0,0,0,0,0,0|4,0,0]=4 28 B13R2.435 FC(F)C1=CC2=CC=CC=C2S1 MCULE-4256595129 [0,0,0,0,0,0|3,0,0]=3 29 B13R2.435 N1C(=CC2=CC=CN=C21)B(O)O MCULE-7990969469 [0,0,0,0,0,0|2,0,0]=2 30 B13R2.435 N=C(N)C1=CC2=C(N1)C=CC=C2 MCULE-3646754813 [0,0,0,0,0,0|4,0,0]=4 31 B13R2.435 N=C(N)C1=CC2=C(N1)C=CC=C2 MCULE-7892184487 [0,0,0,0,0,0|4,0,0]=4 32 B13R2.435 N=C(N)C1=CC2=C(O1)C=CC=C2 MCULE-2683136876 [0,0,0,0,0,0|3,1,0]=4 33 B13R2.435 N=C(N)C1=CC2=C(O1)C=CC=C2 MCULE-6078330289 [0,0,0,0,0,0|3,1,0]=4 34 B13R2.435 NC(=O)C1=CC2=C(N1)C=CC=C2 MCULE-1991794392 [0,0,0,0,0,0|3,0,1]=4 35 B13R2.435 NC(=O)C1=CC2=C(S1)C=CC=C2 MCULE-8747688649 [0,0,0,0,0,0|2,0,1]=3 36 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 MCULE-5061345904 [0,0,0,0,0,0|2,1,1]=4 37 B13R2.435 NC(=O)C1=CC2=CC=CN=C2S1 MCULE-7099904367 [0,0,0,0,0,0|3,0,1]=4 38 B13R2.435 NC(=O)C1=NC2=C(S1)C=CC=C2 MCULE-6231257446 [0,0,0,0,0,0|3,0,1]=4 39 B13R2.435 NC(=S)C1=CC2=C(N1)C=CC=C2 MCULE-7578261041 [0,0,0,0,0,0|3,1,0]=4 40 B13R2.435 NC(=S)C1=CC2=C(O1)C=CC=C2 MCULE-4663001769 [0,0,0,0,0,0|2,2,0]=4 41 B13R2.435 O=C(Cl)C1=CC2=C(O1)C=CC=C2 MCULE-2346289347 [0,0,0,0,0,0|2,1,1]=4 42 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2N1 MCULE-1112741466 [0,0,0,0,0,0|3,0,1]=4 43 B13R2.435 O=C(Cl)C1=CC2=CC=CC=C2S1 MCULE-4152492465 [0,0,0,0,0,0|2,0,1]=3 44 B13R2.435 O=C(Cl)C1=CC2=CC=CN=C2S1 MCULE-8588538809 [0,0,0,0,0,0|3,0,1]=4 45 B13R2.435 O=C(Cl)C1=CC2=CC=CN=C2S1 MCULE-9231850612 [0,0,0,0,0,0|3,0,1]=4 46 B13R2.435 O=C(Cl)C1=NC2=CC=CC=C2S1 MCULE-6697977432 [0,0,0,0,0,0|3,0,1]=4 47 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 MCULE-2006282606 [0,0,0,0,0,0|2,0,1]=3 48 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 MCULE-2072698467 [0,0,0,0,0,0|2,0,1]=3 49 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=N2 MCULE-7749752991 [0,0,0,0,0,0|3,0,1]=4 50 B13R2.435 O=C(O)C1=CC2=C(N1)C=CN=C2 MCULE-2157960265 [0,0,0,0,0,0|3,0,1]=4 51 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 MCULE-3244427248 [0,0,0,0,0,0|3,0,1]=4 52 B13R2.435 O=C(O)C1=CC2=C(N1)N=CC=C2 MCULE-2740115554 [0,0,0,0,0,0|3,0,1]=4 53 B13R2.435 O=C(O)C1=CC2=C(N1)N=CC=C2 MCULE-9038992224 [0,0,0,0,0,0|3,0,1]=4 54 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 MCULE-5646971945 [0,0,0,0,0,0|1,1,1]=3 55 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 MCULE-7751101211 [0,0,0,0,0,0|2,1,1]=4 56 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 MCULE-8671592027 [0,0,0,0,0,0|2,1,1]=4 57 B13R2.435 O=C(O)C1=CC2=C(O1)C=CN=C2 MCULE-5718323690 [0,0,0,0,0,0|2,1,1]=4 58 B13R2.435 O=C(O)C1=CC2=C(O1)C=NC=C2 MCULE-4730892371 [0,0,0,0,0,0|2,1,1]=4 59 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 MCULE-6165149428 [0,0,0,0,0,0|1,0,1]=2 60 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=N2 MCULE-8116295878 [0,0,0,0,0,0|2,0,1]=3 61 B13R2.435 O=C(O)C1=CC2=C(S1)C=CN=C2 MCULE-1746735081 [0,0,0,0,0,0|2,0,1]=3 62 B13R2.435 O=C(O)C1=CC2=C(S1)C=NC=C2 MCULE-8160403480 [0,0,0,0,0,0|2,0,1]=3 63 B13R2.435 O=C(O)C1=CC2=C(S1)C=NC=N2 MCULE-9860595859 [0,0,0,0,0,0|3,0,1]=4 64 B13R2.435 O=C(O)C1=CC2=C(S1)N=CC=C2 MCULE-6946990257 [0,0,0,0,0,0|2,0,1]=3 65 B13R2.435 O=C(O)C1=CC2=C(S1)N=CC=N2 MCULE-8494038325 [0,0,0,0,0,0|3,0,1]=4 66 B13R2.435 O=C(O)C1=CC2=C([Se]1)C=CC=C2 MCULE-8555452372 [0,0,0,0,0,0|1,1,1]=3 67 B13R2.435 O=C(O)C1=CC2=CC=CN=C2O1 MCULE-1574352280 [0,0,0,0,0,0|2,1,1]=4 68 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 MCULE-4461016334 [0,0,0,0,0,0|3,0,1]=4 69 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 MCULE-9974422704 [0,0,0,0,0,0|3,0,1]=4 70 B13R2.435 O=C(O)C1=CC2=CNC=CC2=N1 MCULE-6538440316 [0,0,0,0,0,0|3,0,1]=4 71 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 MCULE-9572930080 [0,0,0,0,0,0|3,0,1]=4 72 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 MCULE-3917630374 [0,0,0,0,0,0|3,0,1]=4 73 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 MCULE-6398209195 [0,0,0,0,0,0|3,0,1]=4 74 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 MCULE-7715874123 [0,0,0,0,0,0|3,0,1]=4 75 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 MCULE-1651833296 [0,0,0,0,0,0|3,0,1]=4 76 B13R2.435 O=C(O)C1=NC2=C(S1)C=CN=C2 MCULE-1110643666 [0,0,0,0,0,0|3,0,1]=4 77 B13R2.435 O=C(O)C1=NC2=C(S1)C=NC=C2 MCULE-9171103829 [0,0,0,0,0,0|3,0,1]=4 78 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 MCULE-7276869954 [0,0,0,0,0,0|3,0,1]=4 79 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 MCULE-7872604073 [0,0,0,0,0,0|2,1,1]=4 80 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 MCULE-7842106080 [0,0,0,0,0,0|2,0,1]=3 81 B13R2.435 O=C(O)C1=NC2=CC=CN=C2S1 MCULE-8775436568 [0,0,0,0,0,0|3,0,1]=4 82 B13R2.435 O=C(O)C1=NC2=CC=CNC2=C1 MCULE-2923766862 [0,0,0,0,0,0|3,0,1]=4 83 B13R2.435 O=C(O)C1=NC2=CNC=CC2=C1 MCULE-9140148377 [0,0,0,0,0,0|3,0,1]=4 84 B13R2.435 O=C(O)C1=NC2=NC=CC=C2S1 MCULE-3700935773 [0,0,0,0,0,0|3,0,1]=4 85 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 MCULE-7415388825 [0,0,0,0,0,0|3,0,1]=4 86 B13R2.435 O=C(O)C1CC2=CC=CC=C2S1 MCULE-1880873093 [0,0,0,0,0,0|1,0,3]=4 87 B13R2.435 O=C([O-])C1=NC2=C(S1)C=CC=C2 MCULE-1458390792 [0,0,0,0,0,0|2,0,2]=4 88 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2S1 MCULE-2030894997 [0,0,0,0,0,0|2,0,2]=4 89 B13R2.435 O=C([O-])C1=NC2=CC=CC=C2S1 MCULE-2643152649 [0,0,0,0,0,0|2,0,2]=4 90 B13R2.435 O=N(=O)C1=CC2=C(N1)C=CC=C2 MCULE-6397737174 [0,0,0,0,0,0|2,0,2]=4 91 B13R2.435 O=N(=O)C1=CC2=CC=CC=C2O1 MCULE-9894231586 [0,0,0,0,0,0|1,1,2]=4 92 B13R2.435 O=S(O)C1=NC2=CC=CC=C2S1 MCULE-2773045060 [0,0,0,0,0,0|2,0,1]=3 93 B13R2.435 O=S([O-])C1=CC2=CC=CC=C2O1 MCULE-1727829165 [0,0,0,0,0,0|1,1,2]=4 94 B13R2.435 O=S([O-])C1=CC2=CC=CC=C2O1 MCULE-2162762247 [0,0,0,0,0,0|1,1,2]=4 95 B13R2.435 O=S([O-])C1=NC2=C(S1)C=CC=C2 MCULE-8179896670 [0,0,0,0,0,0|2,0,2]=4 96 B13R2.435 OB(O)C1=CC2=C(C1)C=CC=C2 MCULE-2668364799 [0,0,0,0,0,0|1,0,0]=1 97 B13R2.435 OB(O)C1=CC2=C(N1)C=CC=C2 MCULE-1734263920 [0,0,0,0,0,0|1,0,0]=1 98 B13R2.435 OB(O)C1=CC2=C(O1)C=CC=C2 MCULE-1299334699 [0,0,0,0,0,0|0,1,0]=1 99 B13R2.435 OB(O)C1=CC2=C(S1)C=CN=C2 MCULE-7570000606 [0,0,0,0,0,0|1,0,0]=1 100 B13R2.435 OB(O)C1=CC2=C(S1)CCNC2 MCULE-8680151812 [0,0,0,0,0,0|1,0,3]=4 101 B13R2.435 OB(O)C1=CC2=C(S1)N=CC=C2 MCULE-2010490508 [0,0,0,0,0,0|1,0,0]=1 102 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 MCULE-8106394039 [0,0,0,0,0,0|0,0,0]=0 103 B13R2.435 OB(O)C1=CC2=CC=CN=C2N1 MCULE-9319797026 [0,0,0,0,0,0|2,0,0]=2 104 B13R2.435 OB(O)C1=CN2C=CC=CC2=N1 MCULE-9352242696 [0,0,0,0,0,0|2,0,0]=2 105 B13R2.435 OB(O)C1=NC2=C(S1)C=CC=C2 MCULE-6845336857 [0,0,0,0,0,0|1,0,0]=1 106 B13R2.435 OB(O)C1=NC2=CC=CC=C2N1 MCULE-8063225532 [0,0,0,0,0,0|2,0,0]=2 107 B12R2.32 BrCC1=CC2=C(N1)C=CC=C2 MCULE-8826777626 [1,0,0,0,0,0|3,0,0]=4 108 B12R2.32 BrCC1=CC2=C(O1)C=CC=C2 MCULE-6193933961 [1,0,0,0,0,0|2,1,0]=4 109 B12R2.32 BrCC1=NC2=C(S1)C=CC=C2 MCULE-6982034104 [1,0,0,0,0,0|3,0,0]=4 110 B12R2.32 C#CC1=CC2=C(N1)C=CC=C2 MCULE-4721608855 [1,0,0,0,0,0|3,0,0]=4 111 B12R2.32 C#CC1=CC2=C(O1)C=CC=C2 MCULE-1821006597 [1,0,0,0,0,0|2,1,0]=4 112 B12R2.32 C#CC1=NC2=C(S1)C=CC=C2 MCULE-9109015519 [1,0,0,0,0,0|3,0,0]=4 113 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 MCULE-8422107661 [1,0,0,0,0,0|3,0,0]=4 114 B12R2.32 CCC1=CC2=CC=CC=C2C1 MCULE-8888673153 [1,0,0,0,0,0|3,0,0]=4 115 B12R2.32 CCC1=CC2=CC=CC=C2O1 MCULE-9932449390 [1,0,0,0,0,0|2,1,0]=4 116 B12R2.32 CCC1=NC2=C(S1)C=CC=C2 MCULE-2281635463 [1,0,0,0,0,0|3,0,0]=4 117 B12R2.32 CNC1=NC2=C(S1)C=CC=C2 MCULE-1968297283 [1,0,0,0,0,0|3,0,0]=4 118 B12R2.32 CNC1=NC2=CC=CC=C2S1 MCULE-9977479926 [1,0,0,0,0,0|3,0,0]=4 119 B12R2.32 COC1=CC2=C(N1)C=CC=C2 MCULE-7997980130 [1,0,0,0,0,0|3,0,0]=4 120 B12R2.32 COC1=NC2=C(S1)C=CC=C2 MCULE-5458159963 [1,0,0,0,0,0|3,0,0]=4 121 B12R2.32 CSC1=NC2=C(S1)C=CC=C2 MCULE-2534878471 [1,0,0,0,0,0|3,0,0]=4 122 B12R2.32 CSC1=NC2=C(S1)C=CC=C2 MCULE-8587383483 [1,0,0,0,0,0|3,0,0]=4 123 B12R2.32 ClCC1=CC2=C(O1)C=CC=C2 MCULE-3722744502 [1,0,0,0,0,0|2,1,0]=4 124 B12R2.32 ClCC1=CC2=C(S1)C=CC=C2 MCULE-5141396196 [1,0,0,0,0,0|2,0,0]=3 125 B12R2.32 ClCC1=NC2=C(S1)C=CC=C2 MCULE-2883278060 [1,0,0,0,0,0|3,0,0]=4 126 B12R2.32 ClCC1=NC2=CC=CC=C2S1 MCULE-7479721116 [1,0,0,0,0,0|3,0,0]=4 127 B12R2.32 N#CC1=CC2=C(O1)C=CC=C2 MCULE-3653069529 [1,0,0,0,0,0|2,1,0]=4 128 B12R2.32 N#CC1=CC2=C(S1)C=CC=C2 MCULE-7039301273 [1,0,0,0,0,0|2,0,0]=3 129 B12R2.32 N#CC1=CC2=C(S1)N=CC=C2 MCULE-4225296907 [1,0,0,0,0,0|3,0,0]=4 130 B12R2.32 N#CC1=CC2=CC=CC=C2N1 MCULE-2520006759 [1,0,0,0,0,0|3,0,0]=4 131 B12R2.32 N#CC1=NC2=CC=CC=C2S1 MCULE-7721983316 [1,0,0,0,0,0|3,0,0]=4 132 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 MCULE-6551089352 [1,0,0,0,0,0|3,0,0]=4 133 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 MCULE-9543546671 [1,0,0,0,0,0|3,0,0]=4 134 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 MCULE-9903399413 [1,0,0,0,0,0|3,0,0]=4 135 B12R2.32 NCC1=CC2=C(O1)C=CC=C2 MCULE-1508849217 [1,0,0,0,0,0|2,1,0]=4 136 B12R2.32 NCC1=CC2=C(O1)C=CC=C2 MCULE-8722969214 [1,0,0,0,0,0|2,1,0]=4 137 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 MCULE-9651554232 [1,0,0,0,0,0|2,0,0]=3 138 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 MCULE-9675561563 [1,0,0,0,0,0|2,0,0]=3 139 B12R2.32 NCC1=CC2=C(S1)C=CN=C2 MCULE-6708362341 [1,0,0,0,0,0|3,0,0]=4 140 B12R2.32 NCC1=CC2=CC=CC=C2N1 MCULE-7580350445 [1,0,0,0,0,0|3,0,0]=4 141 B12R2.32 NCC1=CC2=CC=CN=C2S1 MCULE-9094135028 [1,0,0,0,0,0|3,0,0]=4 142 B12R2.32 NCC1=CC2=NC=CC=C2S1 MCULE-2653602835 [1,0,0,0,0,0|3,0,0]=4 143 B12R2.32 NCC1=NC2=CC=CC=C2S1 MCULE-3961966867 [1,0,0,0,0,0|3,0,0]=4 144 B12R2.32 NCC1=NC2=CC=CC=C2S1 MCULE-9377613015 [1,0,0,0,0,0|3,0,0]=4 145 B12R2.32 NNC1=NC2=C(S1)C=CC=C2 MCULE-5850848092 [1,0,0,0,0,0|3,0,0]=4 146 B12R2.32 NOC1=CC2=CC=CC=C2O1 MCULE-4302151521 [1,0,0,0,0,0|2,1,0]=4 147 B12R2.32 NOC1=CC2=CC=CC=C2O1 MCULE-8757327725 [1,0,0,0,0,0|2,1,0]=4 148 B12R2.32 NOC1=CC2=CC=CC=C2S1 MCULE-6794026606 [1,0,0,0,0,0|2,0,0]=3 149 B12R2.32 NOC1=CC2=CC=CC=C2S1 MCULE-7155143963 [1,0,0,0,0,0|2,0,0]=3 150 B12R2.32 NSC1=NC2=C(S1)C=CC=C2 MCULE-7062687908 [1,0,0,0,0,0|3,0,0]=4 151 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 MCULE-6191488524 [1,0,0,0,0,0|2,0,1]=4 152 B12R2.32 O=CC1=CC2=C(O1)C=CC=C2 MCULE-5987629499 [1,0,0,0,0,0|1,1,1]=4 153 B12R2.32 O=CC1=CC2=C(S1)C=CN=C2 MCULE-7390272632 [1,0,0,0,0,0|2,0,1]=4 154 B12R2.32 O=CC1=CC2=C(S1)C=NC=C2 MCULE-5213600667 [1,0,0,0,0,0|2,0,1]=4 155 B12R2.32 O=CC1=CC2=CC=CC=C2N1 MCULE-7640949276 [1,0,0,0,0,0|2,0,1]=4 156 B12R2.32 O=CC1=CC2=CC=CC=C2S1 MCULE-6554635961 [1,0,0,0,0,0|1,0,1]=3 157 B12R2.32 O=CC1=CC2=CC=CN=C2S1 MCULE-5686412796 [1,0,0,0,0,0|2,0,1]=4 158 B12R2.32 O=CC1=CC2=NC=CC=C2S1 MCULE-1868961424 [1,0,0,0,0,0|2,0,1]=4 159 B12R2.32 O=CC1=NC2=C(S1)C=CC=C2 MCULE-5195418901 [1,0,0,0,0,0|2,0,1]=4 160 B12R2.32 OCC1=CC2=C(N1)C=CC=C2 MCULE-6972702128 [1,0,0,0,0,0|2,0,0]=3 161 B12R2.32 OCC1=CC2=C(N1)C=CN=C2 MCULE-4800994282 [1,0,0,0,0,0|3,0,0]=4 162 B12R2.32 OCC1=CC2=C(N1)C=NC=C2 MCULE-2455541280 [1,0,0,0,0,0|3,0,0]=4 163 B12R2.32 OCC1=CC2=C(O1)C=CC=C2 MCULE-9449993912 [1,0,0,0,0,0|1,1,0]=3 164 B12R2.32 OCC1=CC2=C(O1)C=CN=C2 MCULE-5090256369 [1,0,0,0,0,0|2,1,0]=4 165 B12R2.32 OCC1=CC2=C(S1)C=CC=C2 MCULE-6395446515 [1,0,0,0,0,0|1,0,0]=2 166 B12R2.32 OCC1=CC2=C(S1)C=NC=C2 MCULE-5813055064 [1,0,0,0,0,0|2,0,0]=3 167 B12R2.32 OCC1=CC2=C(S1)N=CC=C2 MCULE-1618013762 [1,0,0,0,0,0|2,0,0]=3 168 B12R2.32 OCC1=CC2=CC=CN=C2N1 MCULE-4114582859 [1,0,0,0,0,0|3,0,0]=4 169 B12R2.32 OCC1=CC2=NC=CC=C2N1 MCULE-3588095190 [1,0,0,0,0,0|3,0,0]=4 170 B12R2.32 OCC1=CC2=NC=CC=C2O1 MCULE-1006454201 [1,0,0,0,0,0|2,1,0]=4 171 B12R2.32 OCC1=CC2=NC=CC=C2S1 MCULE-2208103956 [1,0,0,0,0,0|2,0,0]=3 172 B12R2.32 OCC1=CN2C=CC=CC2=N1 MCULE-5573365613 [1,0,0,0,0,0|3,0,0]=4 173 B12R2.32 OCC1=CN2C=CC=CC2=N1 MCULE-8722644091 [1,0,0,0,0,0|3,0,0]=4 174 B12R2.32 OCC1=NC2=C(N1)C=CC=C2 MCULE-9887852495 [1,0,0,0,0,0|3,0,0]=4 175 B12R2.32 OCC1=NC2=C(O1)C=CC=C2 MCULE-2542633343 [1,0,0,0,0,0|2,1,0]=4 176 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 MCULE-3257839986 [1,0,0,0,0,0|2,0,0]=3 177 B12R2.32 OCC1=NC2=CC=CNC2=C1 MCULE-5841163330 [1,0,0,0,0,0|3,0,0]=4 178 B12R2.32 OCC1=NC2=CNC=CC2=C1 MCULE-5115193027 [1,0,0,0,0,0|3,0,0]=4 179 B12R2.32 OCC1=NN2C=CC=CC2=C1 MCULE-3901962144 [1,0,0,0,0,0|3,0,0]=4 180 B12R2.32 OCC1=NN2C=CC=CC2=C1 MCULE-9263113923 [1,0,0,0,0,0|3,0,0]=4 181 B12R2.32 ON=C1CC2=C(C1)C=CC=C2 MCULE-9309302845 [1,0,0,0,0,0|2,0,1]=4 182 B12R2.32 ONC1=NC2=C(S1)C=CC=C2 MCULE-3099408310 [1,0,0,0,0,0|2,0,0]=3 183 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)C MCULE-7104128426 [0,1,0,0,0,0|2,0,1]=4 184 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)Cl MCULE-4020992555 [0,1,0,0,0,0|2,0,1]=4 185 B14R2.450 CC(=O)C1=C(C2=C(S1)C=CC=C2)O MCULE-7119455274 [0,1,0,0,0,0|2,0,1]=4 186 B14R2.450 CC1=C(CC2=C1C=CC=C2)C(=O)O MCULE-3711440126 [0,1,0,0,0,0|2,0,1]=4 187 B14R2.450 CC1=C(NC2=CC=CC=C12)C(=O)O MCULE-7311271488 [0,1,0,0,0,0|2,0,1]=4 188 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-5635567155 [0,1,0,0,0,0|1,1,1]=4 189 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(C)O MCULE-2953379105 [0,1,0,0,0,0|2,1,0]=4 190 B14R2.450 CC1=C(OC2=C1C=CC=C2)[C@@H](C)O MCULE-8865732522 [0,1,0,0,0,0|2,1,0]=4 191 B14R2.450 CC1=C(OC2=C1C=CC=C2)[C@H](C)O MCULE-8992927430 [0,1,0,0,0,0|2,1,0]=4 192 B14R2.450 CC1=C(OC2=CC=CC=C12)B(O)O MCULE-5504951654 [0,1,0,0,0,0|0,1,0]=2 193 B14R2.450 CC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-9314199686 [0,1,0,0,0,0|1,0,1]=3 194 B14R2.450 CC1=C(SC2=C1C=CC=C2)[C@@H](C)O MCULE-9909904207 [0,1,0,0,0,0|2,0,0]=3 195 B14R2.450 CC1=C(SC2=C1C=CC=C2)[C@H](C)O MCULE-1140483381 [0,1,0,0,0,0|2,0,0]=3 196 B14R2.450 CC1=C(SC2=CC=CC=C12)B(O)O MCULE-2206466307 [0,1,0,0,0,0|0,0,0]=1 197 B14R2.450 CC1=C(SC2=CC=CC=C12)C(=O)Cl MCULE-3778986031 [0,1,0,0,0,0|2,0,1]=4 198 B14R2.450 CC1=C(SC2=NC=CC=C12)C(=O)O MCULE-8780048190 [0,1,0,0,0,0|2,0,1]=4 199 B14R2.450 CC1C(=CC2=C1C=CC=C2)C(=O)O MCULE-1585556218 [0,1,0,0,0,0|2,0,1]=4 200 B14R2.450 CN1C(=CC2=C1C=CC=C2)B(O)O MCULE-7526208226 [0,1,0,0,0,0|1,0,0]=2 201 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(=O)O MCULE-7606431397 [0,1,0,0,0,0|2,0,1]=4 202 B14R2.450 NC(=O)C1=C(C2=CC=CC=C2S1)Cl MCULE-8125450230 [0,1,0,0,0,0|2,0,1]=4 203 B14R2.450 NC(=O)C1=C(C2=CC=CC=C2S1)N MCULE-9206749194 [0,1,0,0,0,0|2,0,1]=4 204 B14R2.450 NC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-8177351868 [0,1,0,0,0,0|1,0,1]=3 205 B14R2.450 NC1=C(SC2=CC=CN=C12)C(=O)O MCULE-1879021104 [0,1,0,0,0,0|2,0,1]=4 206 B14R2.450 NC1=C(SC2=NC=CC=C12)C(=O)O MCULE-1286863964 [0,1,0,0,0,0|2,0,1]=4 207 B14R2.450 O=C(Cl)C1=C(C2=C(S1)C=CC=C2)Cl MCULE-5071823548 [0,1,0,0,0,0|2,0,1]=4 208 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Br MCULE-7116187068 [0,1,0,0,0,0|2,0,1]=4 209 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)I MCULE-6991847846 [0,1,0,0,0,0|2,0,1]=4 210 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Br MCULE-5935270406 [0,1,0,0,0,0|1,1,1]=4 211 B14R2.450 O=C(O)C1=C(C2=C(O1)C=CC=C2)Cl MCULE-8117415241 [0,1,0,0,0,0|1,1,1]=4 212 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=C2)Cl MCULE-2104684798 [0,1,0,0,0,0|1,0,1]=3 213 B14R2.450 O=C(O)C1=C(C2=C(S1)C=CC=C2)O MCULE-9036634750 [0,1,0,0,0,0|1,0,1]=3 214 B14R2.450 O=C(O)C1=C(C2=C(S1)N=CC=C2)Cl MCULE-8108339258 [0,1,0,0,0,0|2,0,1]=4 215 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2N1)Cl MCULE-1448924250 [0,1,0,0,0,0|2,0,1]=4 216 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2N1)F MCULE-1364162237 [0,1,0,0,0,0|2,0,1]=4 217 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2S1)Br MCULE-7407909755 [0,1,0,0,0,0|1,0,1]=3 218 B14R2.450 O=C(O)C1=C(C2=CC=CC=C2[Se]1)Br MCULE-2855526661 [0,1,0,0,0,0|1,1,1]=4 219 B14R2.450 O=C(O)C1=C(C2=CC=CN=C2S1)Br MCULE-7677909143 [0,1,0,0,0,0|2,0,1]=4 220 B14R2.450 O=C(O)C1=C(C2=CC=CN=C2S1)O MCULE-2540034014 [0,1,0,0,0,0|2,0,1]=4 221 B14R2.450 O=C(O)C1=C(C2=NC=CC=C2S1)Br MCULE-6296267164 [0,1,0,0,0,0|2,0,1]=4 222 B14R2.450 O=C(O)C1=C(C2=NC=CC=C2S1)Cl MCULE-2913720274 [0,1,0,0,0,0|2,0,1]=4 223 B14R2.450 O=C(O)C1=CC2=CC=CC=C2N1O MCULE-8611184311 [0,1,0,0,0,0|2,0,1]=4 224 B14R2.450 O=N(=O)C1=C(C2=C(S1)C=CC=C2)Br MCULE-4726406033 [0,1,0,0,0,0|1,0,2]=4 225 B14R2.450 OB(O)C1=C(C2=CC=CC=C2S1)Br MCULE-7625085093 [0,1,0,0,0,0|0,0,0]=1 226 B14R2.972 CC(=NO)C1=CC2=C(N1)C=CC=C2 MCULE-3525085757 [0,1,0,0,0,0|3,0,0]=4 227 B14R2.972 CC(=NO)C1=CC2=C(O1)C=CC=C2 MCULE-3607982457 [0,1,0,0,0,0|2,1,0]=4 228 B14R2.972 CC(=NO)C1=CC2=CC=CC=C2S1 MCULE-4662959732 [0,1,0,0,0,0|2,0,0]=3 229 B14R2.972 CC(NO)C1=CC2=CC=CC=C2S1 MCULE-1711944954 [0,1,0,0,0,0|2,0,0]=3 230 B14R2.972 COC(=O)C1=CC2=C(N1)C=CC=C2 MCULE-6384701616 [0,1,0,0,0,0|2,0,1]=4 231 B14R2.972 COC(=O)C1=CC2=C(S1)C=CC=N2 MCULE-7862573513 [0,1,0,0,0,0|2,0,1]=4 232 B14R2.972 COC(=O)C1=CC2=C(S1)C=CN=C2 MCULE-9501378167 [0,1,0,0,0,0|2,0,1]=4 233 B14R2.972 COC(=O)C1=CC2=C(S1)C=NC=C2 MCULE-2406363549 [0,1,0,0,0,0|2,0,1]=4 234 B14R2.972 COC(=O)C1=CC2=C(S1)N=CC=C2 MCULE-2596118209 [0,1,0,0,0,0|2,0,1]=4 235 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 MCULE-7794015841 [0,1,0,0,0,0|1,1,1]=4 236 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 MCULE-4018691032 [0,1,0,0,0,0|1,0,1]=3 237 B14R2.972 COC(=O)C1=NC2=C(S1)C=CC=C2 MCULE-4946000076 [0,1,0,0,0,0|2,0,1]=4 238 B14R2.972 N/C(=N/O)/C1=CC2=C(O1)C=CC=C2 MCULE-1469624266 [0,1,0,0,0,0|2,1,0]=4 239 B14R2.972 N/C(=N/O)/C1=CC2=C(O1)C=CC=C2 MCULE-7834857229 [0,1,0,0,0,0|2,1,0]=4 240 B14R2.972 NCC(=O)C1=CC2=C(S1)C=CC=C2 MCULE-7334669763 [0,1,0,0,0,0|2,0,1]=4 241 B14R2.972 NCC(=O)C1=CC2=C(S1)C=CC=C2 MCULE-9254921650 [0,1,0,0,0,0|2,0,1]=4 242 B14R2.972 NCC(O)C1=CC2=C(S1)C=CC=C2 MCULE-8859929354 [0,1,0,0,0,0|2,0,0]=3 243 B14R2.972 NCC(O)C1=CC2=CC=CC=C2O1 MCULE-6179590295 [0,1,0,0,0,0|2,1,0]=4 244 B14R2.972 NNC(=O)C1=CC2=C(S1)C=CC=C2 MCULE-7323611180 [0,1,0,0,0,0|2,0,1]=4 245 B14R2.972 O=C(CBr)C1=CC2=CC=CC=C2S1 MCULE-4125267747 [0,1,0,0,0,0|2,0,1]=4 246 B14R2.972 O=C(CO)C1=CC2=CC=CC=C2S1 MCULE-1046677350 [0,1,0,0,0,0|1,0,1]=3 247 B14R2.3129 CC(C)(O)C1=CC2=CC=CC=C2O1 MCULE-1611841356 [0,1,0,0,0,0|2,1,0]=4 248 B14R2.3129 F[B-](F)(F)C1=CC2=CC=CC=C2S1 MCULE-4361009955 [0,1,0,0,0,0|2,0,1]=4 249 B14R2.3129 F[B-](F)(F)C1=CC2=CC=CC=C2S1 MCULE-5815666304 [0,1,0,0,0,0|2,0,1]=4 250 B14R2.3129 NS(=O)(=O)C1=CC2=C(S1)C=CC=C2 MCULE-4234555582 [0,1,0,0,0,0|1,0,2]=4 251 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(S1)C=CC=C2 MCULE-7501220571 [0,1,0,0,0,0|1,0,2]=4 252 B14R2.3129 O=S(=O)(O)C1=NC2=CC=CC=C2S1 MCULE-6944152310 [0,1,0,0,0,0|2,0,1]=4 253 B14R2.3129 O=S(=O)(O)C1=NC2=CC=CC=C2S1 MCULE-8713822845 [0,1,0,0,0,0|2,0,1]=4 254 B14R2.4529 CC(O)C1=CC2=C(O1)C=CC(=C2)Br MCULE-8506430289 [0,1,0,0,0,0|2,1,0]=4 255 B14R2.4529 CC(O)C1=NC2=C(S1)C=C(C=C2)F MCULE-3483333331 [0,1,0,0,0,0|3,0,0]=4 256 B14R2.4529 CC(O)C1=NC2=C(S1)C=CC(=C2)Cl MCULE-3480573647 [0,1,0,0,0,0|3,0,0]=4 257 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)B(O)O MCULE-3220673179 [0,1,0,0,0,0|1,0,0]=2 258 B14R2.4529 CC1=CC2=C(C=C1)C=C(S2)C(=O)O MCULE-7535946880 [0,1,0,0,0,0|1,0,1]=3 259 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)B(O)O MCULE-2261896693 [0,1,0,0,0,0|1,0,0]=2 260 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O MCULE-3994650436 [0,1,0,0,0,0|1,1,1]=4 261 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)B(O)O MCULE-9653682556 [0,1,0,0,0,0|0,0,0]=1 262 B14R2.4529 CC1=CC2=C(C=C1)SC(=C2)C(=O)O MCULE-4898853807 [0,1,0,0,0,0|1,0,1]=3 263 B14R2.4529 CC1=CC=C2C=C(NC2=C1)C(=O)O MCULE-8264158205 [0,1,0,0,0,0|2,0,1]=4 264 B14R2.4529 CC1=CC=C2C=C(OC2=C1)C(=O)O MCULE-2214176331 [0,1,0,0,0,0|1,1,1]=4 265 B14R2.4529 CC1=CC=C2C=C(SC2=C1)B(O)O MCULE-6858745627 [0,1,0,0,0,0|0,0,0]=1 266 B14R2.4529 CC1=CC=C2N=C(SC2=C1)C(=O)O MCULE-5880593237 [0,1,0,0,0,0|2,0,1]=4 267 B14R2.4529 CC1=CC=C2NC(=CC2=C1)C(=O)O MCULE-5011941873 [0,1,0,0,0,0|2,0,1]=4 268 B14R2.4529 CC1=CC=C2OC(=CC2=C1)B(O)O MCULE-1396879932 [0,1,0,0,0,0|0,1,0]=2 269 B14R2.4529 CC1=CC=C2OC(=NC2=C1)C(O)O MCULE-5842565601 [0,1,0,0,0,0|2,1,0]=4 270 B14R2.4529 CC1=CN2N=C(N=C2C=C1)B(O)O MCULE-3242815565 [0,1,0,0,0,0|3,0,0]=4 271 B14R2.4529 NC(=O)C1=CC2=C(S1)C=C(C=C2)Br MCULE-8918677534 [0,1,0,0,0,0|2,0,1]=4 272 B14R2.4529 NC(=O)C1=CC2=C(S1)C=CC(=C2)F MCULE-2860570054 [0,1,0,0,0,0|2,0,1]=4 273 B14R2.4529 NC(=O)C1=CC2=CC(=CC=C2S1)Br MCULE-8146572144 [0,1,0,0,0,0|2,0,1]=4 274 B14R2.4529 NC1=CC2=C(C=C1)C=C(N2)C(=O)O MCULE-4660368633 [0,1,0,0,0,0|2,0,1]=4 275 B14R2.4529 NC1=CC2=C(C=C1)NC(=C2)C(=O)O MCULE-5175411843 [0,1,0,0,0,0|2,0,1]=4 276 B14R2.4529 NC1=CC2=C(C=C1)OC(=C2)C(=O)O MCULE-8615601257 [0,1,0,0,0,0|1,1,1]=4 277 B14R2.4529 NC1=CC2=C(C=C1)SC(=C2)C(=O)O MCULE-5906324784 [0,1,0,0,0,0|1,0,1]=3 278 B14R2.4529 NC1=CC=C2C=C(SC2=C1)C(=O)O MCULE-7279247306 [0,1,0,0,0,0|1,0,1]=3 279 B14R2.4529 NC1=CC=C2SC(=CC2=C1)B(O)O MCULE-5059335902 [0,1,0,0,0,0|0,0,0]=1 280 B14R2.4529 NC1=CC=C2SC(=CC2=C1)C(=O)O MCULE-4554933261 [0,1,0,0,0,0|1,0,1]=3 281 B14R2.4529 NC1=CC=C2SC(=CC2=C1)C(=O)[O-] MCULE-3173315836 [0,1,0,0,0,0|1,0,2]=4 282 B14R2.4529 O=C(Cl)C1=CC2=C(S1)C=C(C=C2)Br MCULE-3570612173 [0,1,0,0,0,0|2,0,1]=4 283 B14R2.4529 O=C(Cl)C1=CC2=C(S1)C=CC(=C2)Br MCULE-8022217482 [0,1,0,0,0,0|2,0,1]=4 284 B14R2.4529 O=C(Cl)C1=CC2=C(S1)C=CC(=C2)Cl MCULE-4214031666 [0,1,0,0,0,0|2,0,1]=4 285 B14R2.4529 O=C(Cl)C1=CC2=C(S1)C=CC(=C2)F MCULE-1610601547 [0,1,0,0,0,0|2,0,1]=4 286 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br MCULE-5960395717 [0,1,0,0,0,0|2,0,1]=4 287 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Br MCULE-4458100829 [0,1,0,0,0,0|2,0,1]=4 288 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)F MCULE-7105968907 [0,1,0,0,0,0|2,0,1]=4 289 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I MCULE-8041395933 [0,1,0,0,0,0|2,0,1]=4 290 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O MCULE-1314297483 [0,1,0,0,0,0|2,0,1]=4 291 B14R2.4529 O=C(O)C1=CC2=C(O1)C=C(C=C2)F MCULE-7769706993 [0,1,0,0,0,0|1,1,1]=4 292 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Cl MCULE-1017602062 [0,1,0,0,0,0|1,1,1]=4 293 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)F MCULE-5681557933 [0,1,0,0,0,0|1,1,1]=4 294 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)O MCULE-5739150653 [0,1,0,0,0,0|1,1,1]=4 295 B14R2.4529 O=C(O)C1=CC2=C(S1)C=C(C=C2)Cl MCULE-2203734746 [0,1,0,0,0,0|1,0,1]=3 296 B14R2.4529 O=C(O)C1=CC2=C(S1)C=C(C=C2)F MCULE-8307850854 [0,1,0,0,0,0|1,0,1]=3 297 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)Br MCULE-7613197718 [0,1,0,0,0,0|1,0,1]=3 298 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=C2)F MCULE-4240455492 [0,1,0,0,0,0|1,0,1]=3 299 B14R2.4529 O=C(O)C1=CC2=C(S1)C=CC(=N2)Cl MCULE-4121674572 [0,1,0,0,0,0|2,0,1]=4 300 B14R2.4529 O=C(O)C1=CC2=C(S1)C=NC(=C2)Cl MCULE-2698454098 [0,1,0,0,0,0|2,0,1]=4 301 B14R2.4529 O=C(O)C1=CC2=C(S1)N=C(C=C2)Cl MCULE-1579772857 [0,1,0,0,0,0|2,0,1]=4 302 B14R2.4529 O=C(O)C1=CC2=C(S1)N=CC(=C2)Br MCULE-5711441197 [0,1,0,0,0,0|2,0,1]=4 303 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2N1)Cl MCULE-5711501424 [0,1,0,0,0,0|2,0,1]=4 304 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2O1)Br MCULE-1188726875 [0,1,0,0,0,0|1,1,1]=4 305 B14R2.4529 O=C(O)C1=CC2=CC(=CC=C2S1)Cl MCULE-5360966795 [0,1,0,0,0,0|1,0,1]=3 306 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl MCULE-1413303202 [0,1,0,0,0,0|2,0,1]=4 307 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)F MCULE-8668027408 [0,1,0,0,0,0|2,0,1]=4 308 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)I MCULE-8124519811 [0,1,0,0,0,0|2,0,1]=4 309 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O MCULE-9576998043 [0,1,0,0,0,0|2,0,1]=4 310 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2O1)Br MCULE-3900545166 [0,1,0,0,0,0|1,1,1]=4 311 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2O1)Cl MCULE-8857573241 [0,1,0,0,0,0|1,1,1]=4 312 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2O1)O MCULE-4780813249 [0,1,0,0,0,0|1,1,1]=4 313 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2S1)Br MCULE-7504572223 [0,1,0,0,0,0|1,0,1]=3 314 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2S1)O MCULE-1840743685 [0,1,0,0,0,0|1,0,1]=3 315 B14R2.4529 O=C(O)C1=NC2=C(S1)C=CC(=C2)F MCULE-5543011554 [0,1,0,0,0,0|2,0,1]=4 316 B14R2.4529 O=C(O)C1=NC2=CC(=CC=C2S1)Br MCULE-7185581120 [0,1,0,0,0,0|2,0,1]=4 317 B14R2.4529 O=C(O)C1=NC2=CC(=CC=C2S1)Cl MCULE-4455930512 [0,1,0,0,0,0|2,0,1]=4 318 B14R2.4529 O=C(O)C1=NC2=CC(=CC=C2S1)O MCULE-3640170518 [0,1,0,0,0,0|2,0,1]=4 319 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2S1)Br MCULE-5819852795 [0,1,0,0,0,0|2,0,1]=4 320 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2S1)Cl MCULE-3024237621 [0,1,0,0,0,0|2,0,1]=4 321 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2S1)F MCULE-2155626348 [0,1,0,0,0,0|2,0,1]=4 322 B14R2.4529 O=C(O)C1=NC2=CC=C(C=C2S1)O MCULE-9973646561 [0,1,0,0,0,0|2,0,1]=4 323 B14R2.4529 O=C([O-])C1=CC2=CC=C(C=C2S1)Cl MCULE-6260552108 [0,1,0,0,0,0|1,0,2]=4 324 B14R2.4529 OB(O)C1=CC2=C(N1)C=C(C=C2)Br MCULE-9914247252 [0,1,0,0,0,0|1,0,0]=2 325 B14R2.4529 OB(O)C1=CC2=C(N1)C=C(C=C2)F MCULE-9331263342 [0,1,0,0,0,0|1,0,0]=2 326 B14R2.4529 OB(O)C1=CC2=C(N1)C=CC(=C2)Br MCULE-7835606929 [0,1,0,0,0,0|1,0,0]=2 327 B14R2.4529 OB(O)C1=CC2=C(N1)C=CC(=C2)Cl MCULE-5555233087 [0,1,0,0,0,0|1,0,0]=2 328 B14R2.4529 OB(O)C1=CC2=C(N1)C=CC(=C2)F MCULE-9141852875 [0,1,0,0,0,0|1,0,0]=2 329 B14R2.4529 OB(O)C1=CC2=C(O1)C=C(C=C2)Cl MCULE-6423043447 [0,1,0,0,0,0|0,1,0]=2 330 B14R2.4529 OB(O)C1=CC2=C(O1)C=C(C=C2)F MCULE-6110931430 [0,1,0,0,0,0|0,1,0]=2 331 B14R2.4529 OB(O)C1=CC2=C(O1)C=CC(=C2)Br MCULE-4540078388 [0,1,0,0,0,0|0,1,0]=2 332 B14R2.4529 OB(O)C1=CC2=CC(=CC=C2O1)Cl MCULE-4879500788 [0,1,0,0,0,0|0,1,0]=2 333 B14R2.4529 OB(O)C1=CC2=CC(=CC=C2O1)F MCULE-8869664566 [0,1,0,0,0,0|0,1,0]=2 334 B14R2.4529 OB(O)C1=CC2=CC(=CC=C2S1)Br MCULE-5067988352 [0,1,0,0,0,0|0,0,0]=1 335 B14R2.4529 OB(O)C1=CC2=CC(=CC=C2S1)Cl MCULE-9629071469 [0,1,0,0,0,0|0,0,0]=1 336 B14R2.4529 OB(O)C1=CC2=CC(=CC=C2S1)F MCULE-5804822798 [0,1,0,0,0,0|0,0,0]=1 337 B14R2.4529 OB(O)C1=CC2=CC=C(C=C2S1)Br MCULE-3492425998 [0,1,0,0,0,0|0,0,0]=1 338 B14R2.4529 OB(O)C1=CC2=CC=C(C=C2S1)Cl MCULE-1898908482 [0,1,0,0,0,0|0,0,0]=1 339 B14R2.4529 OB(O)C1=CC2=CC=C(C=C2S1)F MCULE-9001944280 [0,1,0,0,0,0|0,0,0]=1 340 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O MCULE-4659714822 [0,1,0,0,0,0|2,0,1]=4 341 B14R2.7969 CC1=C2C=C(OC2=CC=C1)C(=O)O MCULE-5032173542 [0,1,0,0,0,0|1,1,1]=4 342 B14R2.7969 CC1=C2N=C(SC2=CC=C1)C(=O)O MCULE-3457890513 [0,1,0,0,0,0|2,0,1]=4 343 B14R2.7969 CC1=C2NC(=CC2=CC=C1)C(=O)O MCULE-4694736949 [0,1,0,0,0,0|2,0,1]=4 344 B14R2.7969 CC1=C2OC(=CC2=CC=C1)C(=O)O MCULE-4015926792 [0,1,0,0,0,0|1,1,1]=4 345 B14R2.7969 CC1=C2SC(=CC2=CC=C1)B(O)O MCULE-7299693214 [0,1,0,0,0,0|0,0,0]=1 346 B14R2.7969 CC1=C2SC(=CC2=CC=C1)C(=O)O MCULE-6864716855 [0,1,0,0,0,0|1,0,1]=3 347 B14R2.7969 CC1=CC=CC2=C1C=C(N2)B(O)O MCULE-8062815244 [0,1,0,0,0,0|1,0,0]=2 348 B14R2.7969 CC1=CC=CC2=C1C=C(S2)C(=O)O MCULE-6836680129 [0,1,0,0,0,0|1,0,1]=3 349 B14R2.7969 CC1=CC=CC2=C1NC(=C2)B(O)O MCULE-9791256807 [0,1,0,0,0,0|1,0,0]=2 350 B14R2.7969 N=C(N)C1=CC2=C(C=CC=C2S1)I MCULE-1831675591 [0,1,0,0,0,0|3,0,0]=4 351 B14R2.7969 N=C(N)C1=CC2=C(C=CC=C2S1)I MCULE-9748410733 [0,1,0,0,0,0|3,0,0]=4 352 B14R2.7969 NC(=O)C1=CC2=C(C=CC=C2S1)Br MCULE-9558188073 [0,1,0,0,0,0|2,0,1]=4 353 B14R2.7969 NC(=O)C1=CC2=C(S1)C(=CC=C2)Br MCULE-8976938568 [0,1,0,0,0,0|2,0,1]=4 354 B14R2.7969 NC(=O)C1=CC2=CC=CC(=C2S1)F MCULE-4958777031 [0,1,0,0,0,0|2,0,1]=4 355 B14R2.7969 NC1=C2C=C(OC2=CC=C1)C(=O)O MCULE-2258847138 [0,1,0,0,0,0|1,1,1]=4 356 B14R2.7969 NC1=C2C=C(SC2=CC=C1)C(=O)O MCULE-4217886398 [0,1,0,0,0,0|1,0,1]=3 357 B14R2.7969 NC1=C2OC(=CC2=CC=C1)C(=O)O MCULE-8058061352 [0,1,0,0,0,0|1,1,1]=4 358 B14R2.7969 NC1=CC=CC2=C1C=C(N2)C(=O)O MCULE-9009478244 [0,1,0,0,0,0|2,0,1]=4 359 B14R2.7969 NC1=CC=CC2=C1NC(=C2)C(=O)O MCULE-3230798113 [0,1,0,0,0,0|2,0,1]=4 360 B14R2.7969 O=C(Cl)C1=CC2=C(S1)C(=CC=C2)Br MCULE-2653226441 [0,1,0,0,0,0|2,0,1]=4 361 B14R2.7969 O=C(Cl)C1=CC2=C(S1)C(=CC=C2)F MCULE-3993768977 [0,1,0,0,0,0|2,0,1]=4 362 B14R2.7969 O=C(Cl)C1=CC2=C(S1)C=CC=C2Br MCULE-9240425773 [0,1,0,0,0,0|2,0,1]=4 363 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)Br MCULE-2524085019 [0,1,0,0,0,0|2,0,1]=4 364 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)Cl MCULE-5240160491 [0,1,0,0,0,0|2,0,1]=4 365 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)F MCULE-6858546443 [0,1,0,0,0,0|2,0,1]=4 366 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2N1)O MCULE-4034566501 [0,1,0,0,0,0|2,0,1]=4 367 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2O1)F MCULE-7889827302 [0,1,0,0,0,0|1,1,1]=4 368 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2S1)I MCULE-9288195747 [0,1,0,0,0,0|1,0,1]=3 369 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2S1)Cl MCULE-9859444799 [0,1,0,0,0,0|2,0,1]=4 370 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2S1)Cl MCULE-1299759168 [0,1,0,0,0,0|2,0,1]=4 371 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O MCULE-5335470646 [0,1,0,0,0,0|2,0,1]=4 372 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)Br MCULE-5562158251 [0,1,0,0,0,0|1,1,1]=4 373 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)Cl MCULE-1688329178 [0,1,0,0,0,0|1,1,1]=4 374 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)F MCULE-5626281415 [0,1,0,0,0,0|1,1,1]=4 375 B14R2.7969 O=C(O)C1=CC2=C(O1)C(=CC=C2)O MCULE-6278559313 [0,1,0,0,0,0|1,1,1]=4 376 B14R2.7969 O=C(O)C1=CC2=C(O1)C=CC=C2Br MCULE-2548642014 [0,1,0,0,0,0|1,1,1]=4 377 B14R2.7969 O=C(O)C1=CC2=C(O1)C=CC=C2Cl MCULE-8765928294 [0,1,0,0,0,0|1,1,1]=4 378 B14R2.7969 O=C(O)C1=CC2=C(O1)C=CC=C2O MCULE-3614111268 [0,1,0,0,0,0|1,1,1]=4 379 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=CC=C2)Br MCULE-4185149838 [0,1,0,0,0,0|1,0,1]=3 380 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=CC=C2)F MCULE-7874155425 [0,1,0,0,0,0|1,0,1]=3 381 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=NC=C2)Br MCULE-6952355092 [0,1,0,0,0,0|2,0,1]=4 382 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=NC=C2)Cl MCULE-1158502316 [0,1,0,0,0,0|2,0,1]=4 383 B14R2.7969 O=C(O)C1=CC2=C(S1)C(=O)NC=C2 MCULE-8618320942 [0,1,0,0,0,0|2,0,1]=4 384 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Br MCULE-1187058949 [0,1,0,0,0,0|1,0,1]=3 385 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2Cl MCULE-3873790566 [0,1,0,0,0,0|1,0,1]=3 386 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CC=C2F MCULE-5952479900 [0,1,0,0,0,0|1,0,1]=3 387 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CN=C2Cl MCULE-8527123158 [0,1,0,0,0,0|2,0,1]=4 388 B14R2.7969 O=C(O)C1=CC2=C(S1)C=CNC2=O MCULE-8011004229 [0,1,0,0,0,0|2,0,1]=4 389 B14R2.7969 O=C(O)C1=CC2=C(S1)C=NC=C2Br MCULE-9210726781 [0,1,0,0,0,0|2,0,1]=4 390 B14R2.7969 O=C(O)C1=CC2=C(S1)C=NC=C2F MCULE-2100627276 [0,1,0,0,0,0|2,0,1]=4 391 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Br MCULE-4476929032 [0,1,0,0,0,0|2,0,1]=4 392 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)Cl MCULE-7563331391 [0,1,0,0,0,0|2,0,1]=4 393 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2N1)F MCULE-7546016562 [0,1,0,0,0,0|2,0,1]=4 394 B14R2.7969 O=C(O)C1=CC2=CC=CC(=C2S1)Cl MCULE-8713409951 [0,1,0,0,0,0|1,0,1]=3 395 B14R2.7969 O=C(O)C1=CC2=NC=CC(=C2S1)Cl MCULE-5114889360 [0,1,0,0,0,0|2,0,1]=4 396 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2S1)Br MCULE-2453696328 [0,1,0,0,0,0|2,0,1]=4 397 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2S1)Cl MCULE-1277797674 [0,1,0,0,0,0|2,0,1]=4 398 B14R2.7969 O=C(O)C1=NC2=C(C=CC=C2S1)O MCULE-2186150725 [0,1,0,0,0,0|2,0,1]=4 399 B14R2.7969 O=C(O)C1=NC2=C(S1)C=CC=C2F MCULE-5925915916 [0,1,0,0,0,0|2,0,1]=4 400 B14R2.7969 O=C(O)C1=NC2=CC=CC(=C2S1)Br MCULE-8198575411 [0,1,0,0,0,0|2,0,1]=4 401 B14R2.7969 O=C(O)C1=NC2=CC=CC(=C2S1)O MCULE-6990043997 [0,1,0,0,0,0|2,0,1]=4 402 B14R2.7969 OB(O)C1=CC2=C(C=CC=C2S1)Br MCULE-7098720583 [0,1,0,0,0,0|0,0,0]=1 403 B14R2.7969 OB(O)C1=CC2=C(N1)C(=CC=C2)Br MCULE-7449039880 [0,1,0,0,0,0|1,0,0]=2 404 B14R2.7969 OB(O)C1=CC2=C(N1)C(=CC=C2)Cl MCULE-5706457192 [0,1,0,0,0,0|1,0,0]=2 405 B14R2.7969 OB(O)C1=CC2=C(N1)C=CC=C2Cl MCULE-5416479564 [0,1,0,0,0,0|1,0,0]=2 406 B14R2.7969 OB(O)C1=CC2=C(O1)C=CC=C2F MCULE-5648716519 [0,1,0,0,0,0|0,1,0]=2 407 B14R2.7969 OB(O)C1=CC2=C(S1)C(=CC=C2)Cl MCULE-4627796098 [0,1,0,0,0,0|0,0,0]=1 408 B14R2.7969 OB(O)C1=CC2=C(S1)C(=CC=C2)F MCULE-4994657816 [0,1,0,0,0,0|0,0,0]=1 409 B14R2.7969 OB(O)C1=CC2=C(S1)C=CC=C2F MCULE-5049455380 [0,1,0,0,0,0|0,0,0]=1 410 B14R2.7969 OB(O)C1=CC2=C(S1)N=CN=C2Cl MCULE-3333579672 [0,1,0,0,0,0|2,0,0]=3 411 B14R2.7969 OB(O)C1=CC2=CC=CC(=C2S1)Br MCULE-7277369841 [0,1,0,0,0,0|0,0,0]=1 412 B14R2.7969 OC(O)C1=NC2=C(O1)C=CC=C2Br MCULE-7848331716 [0,1,0,0,0,0|2,1,0]=4 413 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O MCULE-2320385089 [0,0,1,0,0,0|2,0,1]=4 414 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MCULE-6200285839 [0,0,1,0,0,0|2,0,1]=4 415 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O MCULE-9237421946 [0,0,1,0,0,0|2,0,1]=4 416 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl MCULE-5967816434 [0,0,1,0,0,0|2,0,1]=4 417 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/F MCULE-1278212404 [0,0,1,0,0,0|2,0,1]=4 418 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/O MCULE-9639825195 [0,0,1,0,0,0|1,1,1]=4 419 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)Cl MCULE-1012118487 [0,0,1,0,0,0|2,0,1]=4 420 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)F MCULE-5587932542 [0,0,1,0,0,0|2,0,1]=4 421 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O MCULE-9904864252 [0,0,1,0,0,0|1,1,1]=4 422 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S MCULE-7966134349 [0,0,1,0,0,0|1,0,1]=3 423 B12R1.43 O=C(O)C(=CC1=CC=CN=C1)S MCULE-9764587748 [0,0,1,0,0,0|2,0,1]=4 424 B12R1.125 CC1=CC=CC=C1/C=C/C(=O)O MCULE-4568393226 [0,0,1,0,0,0|2,0,1]=4 425 B12R1.125 CC1=CC=CC=C1C=CC(=O)O MCULE-7568109044 [0,0,1,0,0,0|2,0,1]=4 426 B12R1.125 NC1=C(C=CC=C1)C=CC(=O)O MCULE-1813623710 [0,0,1,0,0,0|2,0,1]=4 427 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Br MCULE-9715214740 [0,0,1,0,0,0|2,0,1]=4 428 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)F MCULE-5550079587 [0,0,1,0,0,0|2,0,1]=4 429 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)O MCULE-5451854573 [0,0,1,0,0,0|1,1,1]=4 430 B12R1.125 O=C(O)/C=C/C1=CC=CC=C1Cl MCULE-6586897772 [0,0,1,0,0,0|2,0,1]=4 431 B12R1.125 O=C(O)/C=C/C1=CC=CC=C1I MCULE-4367628203 [0,0,1,0,0,0|2,0,1]=4 432 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)Br MCULE-1992481262 [0,0,1,0,0,0|2,0,1]=4 433 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)F MCULE-2337664175 [0,0,1,0,0,0|2,0,1]=4 434 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)I MCULE-8228854548 [0,0,1,0,0,0|2,0,1]=4 435 B12R1.125 O=C(O)C=CC1=C(C=CC=C1)O MCULE-7485332494 [0,0,1,0,0,0|1,1,1]=4 436 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl MCULE-7865645572 [0,0,1,0,0,0|2,0,1]=4 437 B14R3.14987 C1=CC2=C(C=C1)OC(=C2)C3CO3 MCULE-9826605953 [0,0,0,1,0,0|2,1,0]=4 438 B14R3.14987 C1=CC2=C(C=C1)OC(=C2)[C@H]3CO3 MCULE-5381792373 [0,0,0,1,0,0|2,1,0]=4 439 B12R2.252 O=C(O)C1=CC2=C(S1)C=CN2 MCULE-4645433743 [0,0,0,0,1,0|2,0,1]=4 440 B12R2.252 O=C(O)C1=CC2=C(S1)C=CO2 MCULE-5896832706 [0,0,0,0,1,0|2,0,1]=4 441 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 MCULE-9074494739 [0,0,0,0,1,0|2,0,1]=4 442 B12R2.252 O=C(O)C1=CC2=C(S1)OC=C2 MCULE-4704847988 [0,0,0,0,1,0|2,0,1]=4 443 B12R2.252 O=C(O)C1=CC2=C(S1)SC=C2 MCULE-6523251244 [0,0,0,0,1,0|2,0,1]=4 444 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 MCULE-5338439724 [0,0,0,0,1,0|2,0,1]=4 445 B12R2.252 OB(O)C1=CC2=C(S1)C=CS2 MCULE-3215863537 [0,0,0,0,1,0|1,0,0]=2 446 B12R2.3190 O=C(O)C1=CC2=CC=CC=C12 MCULE-4865410555 [0,0,0,0,1,0|1,0,1]=3 447 B14R2.768 O=C(O)CC1=CC2=C(C1)C=CC=C2 MCULE-1605864133 [0,0,0,0,0,1|2,0,1]=4 448 B14R2.768 O=C(O)CC1=CC2=C(O1)C=CC=C2 MCULE-7483137348 [0,0,0,0,0,1|1,1,1]=4 449 B14R2.768 O=C(O)CC1=CC2=C(S1)C=CC=C2 MCULE-5364780227 [0,0,0,0,0,1|1,0,1]=3 450 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 MCULE-4729607006 [0,0,0,0,0,1|2,0,1]=4 451 B14R2.768 O=C(O)CC1=NC2=C(S1)C=CC=C2 MCULE-7813389385 [0,0,0,0,0,1|2,0,1]=4 452 B14R2.781 CC(O)C1=CC2=C(C=CC=C2)C=C1 MCULE-9427012247 [0,0,0,0,0,1|3,0,0]=4 453 B14R2.781 CC(O)C1=CC2=C(C=CC=C2)N=C1 MCULE-7087034296 [0,0,0,0,0,1|3,0,0]=4 454 B14R2.781 CC(O)C1=NC2=CC=CC=C2C=C1 MCULE-1063970631 [0,0,0,0,0,1|3,0,0]=4 455 B14R2.781 C[C@@H](O)C1=CC2=CC=CC=C2C=C1 MCULE-5371096482 [0,0,0,0,0,1|3,0,0]=4 456 B14R2.781 C[C@@H](O)C1=CC=C2C=CC=CC2=C1 MCULE-9106990101 [0,0,0,0,0,1|3,0,0]=4 457 B14R2.781 C[C@H](O)C1=CC2=C(C=CC=C2)C=C1 MCULE-4184168235 [0,0,0,0,0,1|3,0,0]=4 458 B14R2.781 C[C@H](O)C1=CC=C2C=CC=CC2=C1 MCULE-6776271145 [0,0,0,0,0,1|3,0,0]=4 459 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 MCULE-3354461241 [0,0,0,0,0,1|2,0,1]=4 460 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 MCULE-2962946769 [0,0,0,0,0,1|2,0,1]=4 461 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=N1 MCULE-6452061026 [0,0,0,0,0,1|2,0,1]=4 462 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 MCULE-6590640248 [0,0,0,0,0,1|1,1,1]=4 463 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=C1 MCULE-1429611341 [0,0,0,0,0,1|2,0,1]=4 464 B14R2.781 O=C(O)C1=COC2=C(O1)C=CC=C2 MCULE-9070614651 [0,0,0,0,0,1|1,1,1]=4 465 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 MCULE-2227588326 [0,0,0,0,0,1|2,0,1]=4 466 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=C1 MCULE-5899905894 [0,0,0,0,0,1|2,0,1]=4 467 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 MCULE-3726057149 [0,0,0,0,0,1|2,0,1]=4 468 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=N1 MCULE-9517425420 [0,0,0,0,0,1|2,0,1]=4 469 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=N1 MCULE-8341493527 [0,0,0,0,0,1|2,0,1]=4 470 B14R2.781 O=S(O)C1=CC2=C(C=CC=C2)C=C1 MCULE-8888904557 [0,0,0,0,0,1|2,0,1]=4 471 B14R2.781 OB(O)C1=CC2=C(C=C1)C=NC=C2 MCULE-3938048286 [0,0,0,0,0,1|2,0,0]=3 472 B14R2.781 OB(O)C1=CC2=C(C=C1)C=NC=C2 MCULE-9558861337 [0,0,0,0,0,1|2,0,0]=3 473 B14R2.781 OB(O)C1=CC2=C(C=CC=C2)CC1 MCULE-1045071235 [0,0,0,0,0,1|1,0,0]=2 474 B14R2.781 OB(O)C1=CC2=C(C=CC=C2)N=C1 MCULE-8268345898 [0,0,0,0,0,1|1,0,0]=2 475 B14R2.781 OB(O)C1=CC2=CN=CC=C2C=C1 MCULE-2470664678 [0,0,0,0,0,1|2,0,0]=3 476 B14R2.781 OB(O)C1=CC2=CN=CN=C2C=C1 MCULE-4246973203 [0,0,0,0,0,1|3,0,0]=4 477 B14R2.781 OB(O)C1=CC2=NC=CC=C2N=C1 MCULE-1920185075 [0,0,0,0,0,1|2,0,0]=3 478 B14R2.781 OB(O)C1=CC2=NC=NC=C2C=C1 MCULE-5117656136 [0,0,0,0,0,1|3,0,0]=4 479 B14R2.781 OB(O)C1=CC=C2C=CC=CC2=C1 MCULE-4857095226 [0,0,0,0,0,1|1,0,0]=2 480 B14R2.781 OB(O)C1=CC=C2C=CC=NC2=C1 MCULE-4719127221 [0,0,0,0,0,1|2,0,0]=3 481 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 MCULE-3220241770 [0,0,0,0,0,1|2,0,0]=3 482 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 MCULE-7748062935 [0,0,0,0,0,1|2,0,0]=3 483 B14R2.781 OB(O)C1=CC=C2N=CC=NC2=C1 MCULE-2695245494 [0,0,0,0,0,1|3,0,0]=4 484 B14R2.781 OB(O)C1=CC=C2N=CC=NC2=C1 MCULE-4640896858 [0,0,0,0,0,1|3,0,0]=4 485 B14R2.781 OB(O)C1=CC=C2N=CC=NC2=N1 MCULE-4149151299 [0,0,0,0,0,1|3,0,0]=4 486 B14R2.781 OB(O)C1=CN=C2C=CC=CC2=C1 MCULE-8006401600 [0,0,0,0,0,1|1,0,0]=2 487 B14R2.781 OB(O)C1=NC2=C(C=CC=C2)C=C1 MCULE-9974717286 [0,0,0,0,0,1|1,0,0]=2 488 B14R2.781 OB(O)C1=NC2=NC=CC=C2C=C1 MCULE-9248191848 [0,0,0,0,0,1|2,0,0]=3 489 B11R1.40 C/C(=C\C1=CC=CC=C1)/CO MCULE-7924592481 [1,0,1,0,0,0|2,0,0]=4 490 B11R1.40 CC(=CC1=CC=CC=C1)CO MCULE-3431684452 [1,0,1,0,0,0|2,0,0]=4 491 B11R1.91 C(=CC1=CC=CC=C1)B(O)O MCULE-2033691760 [1,0,1,0,0,0|0,0,0]=2 492 B11R1.91 CC(O)C=CC1=CC=CC=C1 MCULE-5117324409 [1,0,1,0,0,0|2,0,0]=4 493 B11R1.91 C[C@H](O)/C=C/C1=CC=CC=C1 MCULE-7363806853 [1,0,1,0,0,0|2,0,0]=4 494 B11R1.91 C[C@H](O)C=CC1=CC=CC=C1 MCULE-4644208236 [1,0,1,0,0,0|2,0,0]=4 495 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 MCULE-1077406303 [1,0,1,0,0,0|1,0,1]=4 496 B11R1.91 O=C(O)C=CC1=CC=CC=C1 MCULE-4051659199 [1,0,1,0,0,0|1,0,1]=4 497 B11R1.91 OB(O)/C=C/C1=CC=CC=C1 MCULE-1069678708 [1,0,1,0,0,0|0,0,0]=2 498 B11R1.91 OB(O)CCC1=CC=CC=C1 MCULE-5105757901 [1,0,1,0,0,0|0,0,2]=4 499 B11R1.91 OB(O)CSC1=NC=CC=C1 MCULE-1216009972 [1,0,1,0,0,0|1,0,1]=4 500 B11R1.48 CC1=C(SC(=C1)B(O)O)C=O MCULE-9047328590 [1,0,1,0,0,0|1,0,1]=4 501 B11R1.48 O=CC1=C(C=C(S1)B(O)O)Br MCULE-7712559901 [1,0,1,0,0,0|2,0,0]=4 502 B11R1.17 CC1=CC=CC=C1/C=C/CO MCULE-8859542450 [1,0,1,0,0,0|2,0,0]=4 503 B11R1.17 CC1=CC=CC=C1C=CCO MCULE-6839663628 [1,0,1,0,0,0|2,0,0]=4 504 B11R1.17 NC1=C(C=CC=C1)C=CCO MCULE-7084522972 [1,0,1,0,0,0|2,0,0]=4 505 B11R1.17 OC/C=C/C1=CC=CC=C1F MCULE-6746596629 [1,0,1,0,0,0|2,0,0]=4 506 B11R1.17 OCC=CC1=CC=CC=C1Cl MCULE-8525871659 [1,0,1,0,0,0|2,0,0]=4 507 B11R1.17 OCC=CC1=CC=CC=C1F MCULE-2563058362 [1,0,1,0,0,0|2,0,0]=4 508 B11R2.10 BrC1=CC2=C(C1)C=CC=C2 MCULE-5875894304 [2,0,0,0,0,0|2,0,0]=4 509 B11R2.10 BrC1=CC2=C(O1)C=CC=C2 MCULE-4537622264 [2,0,0,0,0,0|1,1,0]=4 510 B11R2.10 BrC1=CC2=C(S1)C=CC=C2 MCULE-6728625893 [2,0,0,0,0,0|1,0,0]=3 511 B11R2.10 BrC1=CC2=C(S1)C=CC=N2 MCULE-7289822693 [2,0,0,0,0,0|2,0,0]=4 512 B11R2.10 BrC1=CC2=C(S1)C=CN=C2 MCULE-4369351339 [2,0,0,0,0,0|2,0,0]=4 513 B11R2.10 BrC1=CC2=C(S1)C=NC=C2 MCULE-5898696306 [2,0,0,0,0,0|2,0,0]=4 514 B11R2.10 BrC1=CC2=CC=CC=C2N1 MCULE-9555061271 [2,0,0,0,0,0|2,0,0]=4 515 B11R2.10 BrC1=CC2=CC=CN=C2S1 MCULE-8393109420 [2,0,0,0,0,0|2,0,0]=4 516 B11R2.10 BrC1=NC2=C(S1)C=CC=C2 MCULE-1991898570 [2,0,0,0,0,0|2,0,0]=4 517 B11R2.10 CC1=CC2=C(O1)C=CC=C2 MCULE-8018911974 [2,0,0,0,0,0|1,1,0]=4 518 B11R2.10 CC1=CC2=CC=CC=C2C1 MCULE-1292937315 [2,0,0,0,0,0|2,0,0]=4 519 B11R2.10 CC1=CC2=CC=CC=C2N1 MCULE-9033876547 [2,0,0,0,0,0|2,0,0]=4 520 B11R2.10 CC1=CC2=CC=CC=C2S1 MCULE-2235091171 [2,0,0,0,0,0|1,0,0]=3 521 B11R2.10 CC1=NC2=C(S1)C=CC=C2 MCULE-2370272830 [2,0,0,0,0,0|2,0,0]=4 522 B11R2.10 ClC1=CC2=C(C1)C=CC=C2 MCULE-7614575124 [2,0,0,0,0,0|2,0,0]=4 523 B11R2.10 ClC1=CC2=C(N1)C=CC=C2 MCULE-8776759797 [2,0,0,0,0,0|2,0,0]=4 524 B11R2.10 ClC1=CC2=C(S1)C=CN=C2 MCULE-5720025614 [2,0,0,0,0,0|2,0,0]=4 525 B11R2.10 ClC1=CC2=CC=CC=C2O1 MCULE-2385204714 [2,0,0,0,0,0|1,1,0]=4 526 B11R2.10 ClC1=NC2=C(S1)C=CC=C2 MCULE-3986768038 [2,0,0,0,0,0|2,0,0]=4 527 B11R2.10 FC1=CC2=CC=CC=C2N1 MCULE-8844196362 [2,0,0,0,0,0|2,0,0]=4 528 B11R2.10 FC1=NC2=CC=CC=C2S1 MCULE-9029218645 [2,0,0,0,0,0|2,0,0]=4 529 B11R2.10 IC1=CC2=C(N1)C=CC=C2 MCULE-3814752920 [2,0,0,0,0,0|2,0,0]=4 530 B11R2.10 IC1=CC2=C(O1)C=CC=C2 MCULE-3682134466 [2,0,0,0,0,0|1,1,0]=4 531 B11R2.10 IC1=CC2=CC=CC=C2S1 MCULE-8393406042 [2,0,0,0,0,0|1,0,0]=3 532 B11R2.10 IC1=NC2=CC=CC=C2S1 MCULE-4940126653 [2,0,0,0,0,0|2,0,0]=4 533 B11R2.10 NC1=CC2=C(N1)C=CC=C2 MCULE-7886210808 [2,0,0,0,0,0|2,0,0]=4 534 B11R2.10 NC1=CC2=C(N1)C=CC=C2 MCULE-8984129720 [2,0,0,0,0,0|2,0,0]=4 535 B11R2.10 NC1=CC2=C(S1)C=CC=C2 MCULE-2139808633 [2,0,0,0,0,0|1,0,0]=3 536 B11R2.10 NC1=NC2=C(S1)C=CC=C2 MCULE-1631754476 [2,0,0,0,0,0|2,0,0]=4 537 B11R2.10 NC1=NC2=C(S1)C=CC=C2 MCULE-2707577485 [2,0,0,0,0,0|2,0,0]=4 538 B11R2.10 O=C1CC2=C(S1)C=CC=C2 MCULE-5926944987 [2,0,0,0,0,0|0,0,2]=4 539 B11R2.10 OC1=CC2=C(N1)C=CC=C2 MCULE-6638057365 [2,0,0,0,0,0|1,0,0]=3 540 B11R2.10 OC1=CC2=C(N1)N=CC=C2 MCULE-7949876882 [2,0,0,0,0,0|2,0,0]=4 541 B11R2.10 OC1=CN2C=CC=CC2=N1 MCULE-7190661326 [2,0,0,0,0,0|2,0,0]=4 542 B11R2.10 OC1=CN2C=CC=CC2=N1 MCULE-9214919226 [2,0,0,0,0,0|2,0,0]=4 543 B11R2.10 OC1=NC2=C(S1)C=CC=C2 MCULE-7146680823 [2,0,0,0,0,0|1,0,0]=3 544 B11R2.10 S=C1SC2=C(S1)C=CC=C2 MCULE-3564783127 [2,0,0,0,0,0|1,1,0]=4 545 B11R2.10 S=C1[N-]C2=CC=CC=C2S1 MCULE-6185274218 [2,0,0,0,0,0|1,1,0]=4 546 B11R2.10 SC1=NC2=C(S1)C=CC=C2 MCULE-4331370211 [2,0,0,0,0,0|1,1,0]=4 547 B13R1.133 O=C(O)/C(=C/C1=CC=C(C=C1)I)/S MCULE-5876833956 [0,1,1,0,0,0|1,0,1]=4 548 B13R1.133 O=C(O)C(=CC1=CC=C(C=C1)Cl)S MCULE-3713803990 [0,1,1,0,0,0|1,0,1]=4 549 B13R1.133 O=C(O)C(=CC1=CC=C(C=C1)I)S MCULE-6729220491 [0,1,1,0,0,0|1,0,1]=4 550 B13R1.148 C/C(=C\C1=NC=CC(=C1)Cl)/B(O)O MCULE-3236700406 [0,1,1,0,0,0|2,0,0]=4 551 B13R1.148 CC(=CC1=NC=CC(=C1)Cl)B(O)O MCULE-2047479694 [0,1,1,0,0,0|2,0,0]=4 552 B13R2.26 CNCC1=CC2=C(S1)C=CC=C2 MCULE-6356407325 [1,1,0,0,0,0|2,0,0]=4 553 B13R2.26 CNCC1=CC2=C(S1)C=CC=C2 MCULE-8888993334 [1,1,0,0,0,0|2,0,0]=4 554 B13R2.26 N#CCC1=CC2=C(S1)C=CC=C2 MCULE-9038987978 [1,1,0,0,0,0|2,0,0]=4 555 B13R2.26 NCCC1=CC2=CC=CC=C2S1 MCULE-1033321297 [1,1,0,0,0,0|2,0,0]=4 556 B13R2.26 NCCC1=CC2=CC=CC=C2S1 MCULE-8867851840 [1,1,0,0,0,0|2,0,0]=4 557 B13R2.26 OCCC1=CC2=C(N1)C=CC=C2 MCULE-9802500182 [1,1,0,0,0,0|2,0,0]=4 558 B13R2.26 OCCC1=CC2=C(O1)C=CC=C2 MCULE-8110301902 [1,1,0,0,0,0|1,1,0]=4 559 B13R2.26 OCCC1=CC2=C(S1)C=CC=C2 MCULE-7321698370 [1,1,0,0,0,0|1,0,0]=3 560 B13R2.26 OCCC1=NC2=C(S1)C=CC=C2 MCULE-6289494190 [1,1,0,0,0,0|2,0,0]=4 561 B13R2.43 BrCC1=CC2=CC(=CC=C2S1)Br MCULE-7463911865 [1,1,0,0,0,0|2,0,0]=4 562 B13R2.43 BrCC1=CC2=CC=C(C=C2S1)Br MCULE-9393843748 [1,1,0,0,0,0|2,0,0]=4 563 B13R2.43 CC1=CC2=C(C=C1)NC(=C2)CO MCULE-4068821475 [1,1,0,0,0,0|2,0,0]=4 564 B13R2.43 CC1=CC2=C(C=C1)SC(=C2)C=O MCULE-3870090663 [1,1,0,0,0,0|1,0,1]=4 565 B13R2.43 CC1=CC2=C(C=C1)SC(=N2)CO MCULE-2561230970 [1,1,0,0,0,0|2,0,0]=4 566 B13R2.43 CC1=CC=C2C=C(SC2=C1)C=O MCULE-4381693958 [1,1,0,0,0,0|1,0,1]=4 567 B13R2.43 CC1=CC=C2C=C(SC2=C1)CO MCULE-8954750898 [1,1,0,0,0,0|1,0,0]=3 568 B13R2.43 CC1=CC=C2SC(=CC2=C1)CBr MCULE-8915408621 [1,1,0,0,0,0|2,0,0]=4 569 B13R2.43 CC1=CC=C2SC(=CC2=C1)CN MCULE-1947323751 [1,1,0,0,0,0|2,0,0]=4 570 B13R2.43 CC1=CC=C2SC(=CC2=C1)CO MCULE-3804696904 [1,1,0,0,0,0|1,0,0]=3 571 B13R2.43 CCC1=CC2=C(S1)C=CC(=C2)Br MCULE-8863615705 [1,1,0,0,0,0|2,0,0]=4 572 B13R2.43 ClC1=CC2=C(C=C1)SC(=C2)CBr MCULE-9306933692 [1,1,0,0,0,0|2,0,0]=4 573 B13R2.43 ClCC1=CC2=CC(=CC=C2S1)Br MCULE-5097624325 [1,1,0,0,0,0|2,0,0]=4 574 B13R2.43 FC1=CC=C2C=C(SC2=C1)CBr MCULE-1872906921 [1,1,0,0,0,0|2,0,0]=4 575 B13R2.43 N#CC1=CC2=C(S1)C=C(C=C2)Br MCULE-4016981723 [1,1,0,0,0,0|2,0,0]=4 576 B13R2.43 N#CC1=CC2=C(S1)C=CC(=C2)Cl MCULE-6206310472 [1,1,0,0,0,0|2,0,0]=4 577 B13R2.43 N#CC1=CC2=C(S1)C=CC(=C2)F MCULE-5142270484 [1,1,0,0,0,0|2,0,0]=4 578 B13R2.43 N#CC1=CC2=CC(=CC=C2S1)Br MCULE-6757908247 [1,1,0,0,0,0|2,0,0]=4 579 B13R2.43 NC1=CC2=C(C=C1)OC(=C2)CO MCULE-5834983461 [1,1,0,0,0,0|1,1,0]=4 580 B13R2.43 NC1=CC=C2NC(=CC2=C1)CO MCULE-8590137126 [1,1,0,0,0,0|2,0,0]=4 581 B13R2.43 NCC1=CC2=C(S1)C=CC(=C2)F MCULE-2450735449 [1,1,0,0,0,0|2,0,0]=4 582 B13R2.43 NCC1=CC2=C(S1)C=CC(=C2)F MCULE-6521295583 [1,1,0,0,0,0|2,0,0]=4 583 B13R2.43 NCC1=CC2=C(S1)C=CC(=C2)I MCULE-5475306933 [1,1,0,0,0,0|2,0,0]=4 584 B13R2.43 NCC1=CC2=C(S1)C=CC(=C2)I MCULE-8342561388 [1,1,0,0,0,0|2,0,0]=4 585 B13R2.43 NCC1=CC2=CC(=CC=C2S1)Br MCULE-1553131303 [1,1,0,0,0,0|2,0,0]=4 586 B13R2.43 NCC1=CC2=CC(=CC=C2S1)Br MCULE-3032946695 [1,1,0,0,0,0|2,0,0]=4 587 B13R2.43 NCC1=CC2=CC=C(C=C2S1)Br MCULE-9318018849 [1,1,0,0,0,0|2,0,0]=4 588 B13R2.43 O=CC1=CC2=C(S1)C=C(C=C2)Br MCULE-2565210733 [1,1,0,0,0,0|1,0,1]=4 589 B13R2.43 O=CC1=CC2=C(S1)C=CC(=C2)Br MCULE-3344768245 [1,1,0,0,0,0|1,0,1]=4 590 B13R2.43 O=CC1=CC2=C(S1)C=CC(=C2)Cl MCULE-5017363564 [1,1,0,0,0,0|1,0,1]=4 591 B13R2.43 O=CC1=CC2=C(S1)C=CC(=C2)F MCULE-5708980234 [1,1,0,0,0,0|1,0,1]=4 592 B13R2.43 O=CC1=CC2=CC=C(C=C2S1)F MCULE-1193172373 [1,1,0,0,0,0|1,0,1]=4 593 B13R2.43 OCC1=CC2=C(N1)C=C(C=C2)Br MCULE-4633966203 [1,1,0,0,0,0|2,0,0]=4 594 B13R2.43 OCC1=CC2=C(N1)C=C(C=C2)Cl MCULE-3319018435 [1,1,0,0,0,0|2,0,0]=4 595 B13R2.43 OCC1=CC2=C(N1)C=C(C=C2)F MCULE-6293060546 [1,1,0,0,0,0|2,0,0]=4 596 B13R2.43 OCC1=CC2=C(N1)C=C(C=C2)O MCULE-1776705917 [1,1,0,0,0,0|2,0,0]=4 597 B13R2.43 OCC1=CC2=C(N1)C=CC(=C2)Br MCULE-6163002097 [1,1,0,0,0,0|2,0,0]=4 598 B13R2.43 OCC1=CC2=C(N1)C=CC(=C2)Cl MCULE-9476094222 [1,1,0,0,0,0|2,0,0]=4 599 B13R2.43 OCC1=CC2=C(N1)C=CC(=C2)F MCULE-2972925462 [1,1,0,0,0,0|2,0,0]=4 600 B13R2.43 OCC1=CC2=C(O1)C=C(C=C2)I MCULE-7981232211 [1,1,0,0,0,0|1,1,0]=4 601 B13R2.43 OCC1=CC2=C(O1)C=CC(=C2)F MCULE-3062381054 [1,1,0,0,0,0|1,1,0]=4 602 B13R2.43 OCC1=CC2=C(S1)C=C(C=C2)Br MCULE-5873180699 [1,1,0,0,0,0|1,0,0]=3 603 B13R2.43 OCC1=CC2=C(S1)C=C(C=C2)Cl MCULE-9521049770 [1,1,0,0,0,0|1,0,0]=3 604 B13R2.43 OCC1=CC2=C(S1)C=CC(=C2)Br MCULE-1366398581 [1,1,0,0,0,0|1,0,0]=3 605 B13R2.43 OCC1=CC2=C(S1)C=CC(=C2)Cl MCULE-8301871279 [1,1,0,0,0,0|1,0,0]=3 606 B13R2.43 OCC1=CC2=C(S1)C=CC(=C2)F MCULE-7398032592 [1,1,0,0,0,0|1,0,0]=3 607 B13R2.43 OCC1=CC2=CC(=CC=C2O1)Br MCULE-2132452617 [1,1,0,0,0,0|1,1,0]=4 608 B13R2.43 OCC1=CC2=CC(=CC=C2O1)Cl MCULE-5140734675 [1,1,0,0,0,0|1,1,0]=4 609 B13R2.43 OCC1=CC2=CC=C(C=C2O1)Br MCULE-9586344402 [1,1,0,0,0,0|1,1,0]=4 610 B13R2.43 OCC1=CC2=CC=C(C=C2S1)F MCULE-4561088927 [1,1,0,0,0,0|1,0,0]=3 611 B13R2.43 OCC1=NC2=C(S1)C=C(C=C2)F MCULE-1569842615 [1,1,0,0,0,0|2,0,0]=4 612 B13R2.43 OCC1=NC2=C(S1)C=CC(=C2)Cl MCULE-9859422528 [1,1,0,0,0,0|2,0,0]=4 613 B13R2.43 OCC1=NC2=CC(=CC=C2S1)F MCULE-4528588876 [1,1,0,0,0,0|2,0,0]=4 614 B13R2.45 CC1=C(OC2=C1C=CC=C2)CO MCULE-1181984271 [1,1,0,0,0,0|1,1,0]=4 615 B13R2.45 CC1=C(SC2=C1C=CC=C2)C#N MCULE-5070021656 [1,1,0,0,0,0|2,0,0]=4 616 B13R2.45 CC1=C(SC2=C1C=CC=C2)C=O MCULE-8279131283 [1,1,0,0,0,0|1,0,1]=4 617 B13R2.45 CC1=C(SC2=C1C=CC=C2)CN MCULE-2420056694 [1,1,0,0,0,0|2,0,0]=4 618 B13R2.45 CN1C(=CC2=CC=CC=C12)CO MCULE-7309470645 [1,1,0,0,0,0|2,0,0]=4 619 B13R2.45 CSC1=C(C2=CC=CC=C2S1)Br MCULE-4993170862 [1,1,0,0,0,0|2,0,0]=4 620 B13R2.45 C[N+]1=C(SC2=C1C=CC=C2)CO MCULE-1479185118 [1,1,0,0,0,0|2,0,0]=4 621 B13R2.45 C[N+]1=C(SC2=C1C=CC=C2)CO MCULE-3506158482 [1,1,0,0,0,0|2,0,0]=4 622 B13R2.45 C[N+]1=C(SC2=C1C=CC=C2)CO MCULE-6609257919 [1,1,0,0,0,0|2,0,0]=4 623 B13R2.45 ClC1=C(SC2=C1C=CC=C2)CBr MCULE-9387722633 [1,1,0,0,0,0|2,0,0]=4 624 B13R2.45 ClCC1=C(C2=C(S1)C=CC=C2)Cl MCULE-8968976761 [1,1,0,0,0,0|2,0,0]=4 625 B13R2.45 N#CC1=C(C2=C(S1)C=CC=C2)Cl MCULE-7611722487 [1,1,0,0,0,0|2,0,0]=4 626 B13R2.45 N#CC1=C(C2=C(S1)C=CC=C2)F MCULE-7586264162 [1,1,0,0,0,0|2,0,0]=4 627 B13R2.45 N#CC1=C(C2=C(S1)C=CC=C2)N MCULE-3290784335 [1,1,0,0,0,0|2,0,0]=4 628 B13R2.45 N#CC1=C(C2=C(S1)C=CC=C2)O MCULE-9131208383 [1,1,0,0,0,0|2,0,0]=4 629 B13R2.45 N#CC1=C(C2=CC=CC=C2S1)Br MCULE-2683001978 [1,1,0,0,0,0|2,0,0]=4 630 B13R2.45 NCC1=C(C2=C(S1)C=CC=C2)Br MCULE-1001878895 [1,1,0,0,0,0|2,0,0]=4 631 B13R2.45 NCC1=C(C2=C(S1)C=CC=C2)Br MCULE-4546482666 [1,1,0,0,0,0|2,0,0]=4 632 B13R2.45 NCC1=C(C2=CC=CC=C2S1)Cl MCULE-4119116213 [1,1,0,0,0,0|2,0,0]=4 633 B13R2.45 NCC1=C(C2=CC=CC=C2S1)Cl MCULE-7763400245 [1,1,0,0,0,0|2,0,0]=4 634 B13R2.45 O=C1C(=NO)CC2=C1C=CC=C2 MCULE-8835587157 [1,1,0,0,0,0|2,0,0]=4 635 B13R2.45 O=CC1=C(C2=C(S1)C=CC=C2)Cl MCULE-4113746359 [1,1,0,0,0,0|1,0,1]=4 636 B13R2.45 O=CC1=C(C2=CC=CC=C2S1)Br MCULE-3162330606 [1,1,0,0,0,0|1,0,1]=4 637 B13R2.45 O=CC1=C(C2=CC=CC=C2S1)O MCULE-1907962130 [1,1,0,0,0,0|1,0,1]=4 638 B13R2.45 O=C\1C2=C(C=CC=C2)C/C1=N/O MCULE-9613114489 [1,1,0,0,0,0|2,0,0]=4 639 B13R2.45 O=C\1C2=C(C=CC=C2)N/C1=N/O MCULE-6310266173 [1,1,0,0,0,0|2,0,0]=4 640 B13R2.45 O=C\1C2=CC=CC=C2C/C1=N\O MCULE-5035507270 [1,1,0,0,0,0|2,0,0]=4 641 B13R2.45 OCC1=C(C2=C(O1)C=CC=C2)Br MCULE-9995333534 [1,1,0,0,0,0|1,1,0]=4 642 B13R2.45 OCC1=C(C2=CC=CC=C2S1)Br MCULE-3535217641 [1,1,0,0,0,0|1,0,0]=3 643 B13R2.45 OCC1=C(C2=CC=CC=C2S1)Cl MCULE-1805190438 [1,1,0,0,0,0|1,0,0]=3 644 B13R2.54 BrCC1=CC2=C(S1)C=CC=C2Br MCULE-7306303823 [1,1,0,0,0,0|2,0,0]=4 645 B13R2.54 BrCC1=CC2=CC=CC(=C2S1)Br MCULE-3531046712 [1,1,0,0,0,0|2,0,0]=4 646 B13R2.54 CC1=C2C=C(NC2=CC=C1)CO MCULE-6879885387 [1,1,0,0,0,0|2,0,0]=4 647 B13R2.54 ClC1=C2SC(=CC2=CC=C1)CBr MCULE-2007048427 [1,1,0,0,0,0|2,0,0]=4 648 B13R2.54 ClC1=CC=CC2=C1C=C(S2)CBr MCULE-3539117863 [1,1,0,0,0,0|2,0,0]=4 649 B13R2.54 FC1=C2C=C(SC2=CC=C1)CBr MCULE-6983883860 [1,1,0,0,0,0|2,0,0]=4 650 B13R2.54 FC1=C2SC(=CC2=CC=C1)CBr MCULE-8280269621 [1,1,0,0,0,0|2,0,0]=4 651 B13R2.54 N#CC1=CC2=C(C=CC=C2S1)Br MCULE-5539054908 [1,1,0,0,0,0|2,0,0]=4 652 B13R2.54 N#CC1=CC2=C(C=CC=C2S1)Cl MCULE-7034294691 [1,1,0,0,0,0|2,0,0]=4 653 B13R2.54 N#CC1=CC2=C(C=CC=C2S1)I MCULE-8521695484 [1,1,0,0,0,0|2,0,0]=4 654 B13R2.54 N#CC1=CC2=C(C=CC=C2S1)O MCULE-5845220324 [1,1,0,0,0,0|2,0,0]=4 655 B13R2.54 O=C1NC=CC2=C1C=C(S2)CO MCULE-6281049537 [1,1,0,0,0,0|2,0,0]=4 656 B13R2.54 O=CC1=CC2=C(C=CC=C2S1)F MCULE-8018147421 [1,1,0,0,0,0|1,0,1]=4 657 B13R2.54 O=CC1=CC2=C(C=CC=C2S1)O MCULE-8454625713 [1,1,0,0,0,0|1,0,1]=4 658 B13R2.54 O=CC1=CC2=C(S1)C(=CC=C2)Br MCULE-7443362998 [1,1,0,0,0,0|1,0,1]=4 659 B13R2.54 O=CC1=CC2=C(S1)C(=CC=C2)Cl MCULE-1418826125 [1,1,0,0,0,0|1,0,1]=4 660 B13R2.54 O=CC1=CC2=C(S1)C(=CC=C2)F MCULE-2527325124 [1,1,0,0,0,0|1,0,1]=4 661 B13R2.54 O=CC1=CC2=C(S1)C=CC=C2Br MCULE-4198715022 [1,1,0,0,0,0|1,0,1]=4 662 B13R2.54 O=CC1=CC2=C(S1)C=CC=C2Cl MCULE-5382563377 [1,1,0,0,0,0|1,0,1]=4 663 B13R2.54 OCC1=CC2=C(C=CC=C2O1)Br MCULE-3051638306 [1,1,0,0,0,0|1,1,0]=4 664 B13R2.54 OCC1=CC2=C(N1)C(=CC=C2)Br MCULE-7840887139 [1,1,0,0,0,0|2,0,0]=4 665 B13R2.54 OCC1=CC2=C(N1)C(=CC=C2)Cl MCULE-2519597677 [1,1,0,0,0,0|2,0,0]=4 666 B13R2.54 OCC1=CC2=C(N1)C(=CC=C2)F MCULE-9380731474 [1,1,0,0,0,0|2,0,0]=4 667 B13R2.54 OCC1=CC2=C(N1)C=CC=C2Br MCULE-2559168111 [1,1,0,0,0,0|2,0,0]=4 668 B13R2.54 OCC1=CC2=C(N1)C=CC=C2Cl MCULE-3972158143 [1,1,0,0,0,0|2,0,0]=4 669 B13R2.54 OCC1=CC2=C(N1)C=CC=C2F MCULE-2124653712 [1,1,0,0,0,0|2,0,0]=4 670 B13R2.54 OCC1=CC2=C(S1)C(=CC=C2)Br MCULE-2732125354 [1,1,0,0,0,0|1,0,0]=3 671 B13R2.54 OCC1=CC2=C(S1)C(=CC=C2)F MCULE-7857663844 [1,1,0,0,0,0|1,0,0]=3 672 B13R2.54 OCC1=CC2=C(S1)C=CC=C2Br MCULE-7540612211 [1,1,0,0,0,0|1,0,0]=3 673 B13R2.54 OCC1=CC2=C(S1)C=CC=C2Cl MCULE-9624111366 [1,1,0,0,0,0|1,0,0]=3 674 B13R2.54 OCC1=CC2=C(S1)C=CC=C2F MCULE-4698066997 [1,1,0,0,0,0|1,0,0]=3 675 B13R2.54 OCC1=CC2=C(S1)C=NC=C2Br MCULE-3033684591 [1,1,0,0,0,0|2,0,0]=4 676 B13R2.54 OCC1=CC2=CC=CC(=C2O1)Br MCULE-7258476891 [1,1,0,0,0,0|1,1,0]=4 677 B13R2.54 OCC1=CC2=CC=CC(=C2S1)Cl MCULE-6302283055 [1,1,0,0,0,0|1,0,0]=3 678 B13R2.54 OCC1=CC2=CC=NC(=C2S1)Cl MCULE-8096194943 [1,1,0,0,0,0|2,0,0]=4 679 B13R2.54 OCC1=CC2=NC=CC(=C2S1)Cl MCULE-5022767887 [1,1,0,0,0,0|2,0,0]=4 680 B13R2.54 OCC1=NC2=C(C=CC=C2S1)F MCULE-4184766173 [1,1,0,0,0,0|2,0,0]=4 681 B13R2.15272 COC(=O)C1=CC2=CC=CC=C12 MCULE-5904184128 [0,1,0,0,1,0|1,0,1]=4 682 B15R2.629 CC1=C(SC2=C1C=CC=C2)CC(=O)O MCULE-9945089660 [0,1,0,0,0,1|1,0,1]=4 683 B15R2.1569 COC(=O)CC1=CC2=C(S1)C=CC=C2 MCULE-1545316059 [0,1,0,0,0,1|1,0,1]=4 684 B15R2.4244 CC(C(=O)O)C1=CC2=C(S1)C=CC=C2 MCULE-4524430908 [0,1,0,0,0,1|1,0,1]=4 685 B15R2.4244 O=C(C1=CC2=C(O1)C=CC=C2)C(O)O MCULE-5695158874 [0,1,0,0,0,1|1,1,0]=4 686 B15R2.627 CC1=C(C=CC2=C1C=CC=C2)B(O)O MCULE-4949329471 [0,1,0,0,0,1|1,0,0]=3 687 B15R2.627 CC1=C(C=NC2=CC=CC=C12)B(O)O MCULE-7107178765 [0,1,0,0,0,1|1,0,0]=3 688 B15R2.627 OB(O)C1=C(C2=C(C=C1)N=CC=C2)F MCULE-3282813134 [0,1,0,0,0,1|2,0,0]=4 689 B15R2.627 OB(O)C1=C(C2=C(C=CC=C2)C=C1)F MCULE-8445384481 [0,1,0,0,0,1|1,0,0]=3 690 B15R2.627 OB(O)C1=C(C2=CC=CC=C2N=C1)Br MCULE-1871501689 [0,1,0,0,0,1|1,0,0]=3 691 B15R2.627 OB(O)C1=C(C2=CC=CC=C2N=C1)Cl MCULE-5547270675 [0,1,0,0,0,1|1,0,0]=3 692 B15R2.627 OB(O)C1=CC=C2C=CC=NC2=C1F MCULE-6223206685 [0,1,0,0,0,1|2,0,0]=4 693 B15R2.984 CC1=C(SC2=CC=CC=C2N1)C(=O)O MCULE-7538832223 [0,1,0,0,0,1|1,0,1]=4 694 B15R2.984 OB(O)C1=C(C=C2C=CC=CC2=C1)Br MCULE-9059445939 [0,1,0,0,0,1|1,0,0]=3 695 B15R2.984 OB(O)C1=C(C=C2C=CC=CC2=C1)Cl MCULE-4665041078 [0,1,0,0,0,1|1,0,0]=3 696 B15R2.984 OB(O)C1=C(C=C2C=CC=CC2=C1)O MCULE-6646600676 [0,1,0,0,0,1|1,0,0]=3 697 B15R2.984 OB(O)C1=CC2=C(C=CC=C2)N=C1Cl MCULE-5120061583 [0,1,0,0,0,1|1,0,0]=3 698 B15R2.984 OB(O)C1=CC2=C(C=CC=C2)N=C1O MCULE-1240857409 [0,1,0,0,0,1|1,0,0]=3 699 B15R2.984 OB(O)C1=CC2=CC=CC=C2C=C1F MCULE-2364552085 [0,1,0,0,0,1|1,0,0]=3 700 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1Br MCULE-2696221021 [0,1,0,0,0,1|1,0,0]=3 701 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1F MCULE-5838503875 [0,1,0,0,0,1|1,0,0]=3 702 B15R2.7174 CC1=CC2=C(C=CC(=C2)B(O)O)C=N1 MCULE-3033940095 [0,1,0,0,0,1|2,0,0]=4 703 B15R2.7174 CC1=CC=C2N=CC(=CC2=C1)B(O)O MCULE-9534771781 [0,1,0,0,0,1|1,0,0]=3 704 B15R2.7174 O=C1C=CC2=C(O1)C=C(C=C2)B(O)O MCULE-1674320715 [0,1,0,0,0,1|2,0,0]=4 705 B15R2.7174 OB(O)C1=CC2=C(C=C1)C=NC(=C2)Cl MCULE-3360425815 [0,1,0,0,0,1|2,0,0]=4 706 B15R2.7174 OB(O)C1=CC2=C(C=CC(=C2)O)C=C1 MCULE-5418909511 [0,1,0,0,0,1|1,0,0]=3 707 B15R2.7174 OB(O)C1=CC2=CC(=CC=C2N=C1)Br MCULE-2076427226 [0,1,0,0,0,1|1,0,0]=3 708 B15R2.7174 OB(O)C1=CC2=CC(=CC=C2N=C1)F MCULE-9448109812 [0,1,0,0,0,1|1,0,0]=3 709 B15R2.7174 OB(O)C1=CC=C2C=CC(=NC2=C1)Cl MCULE-7199919622 [0,1,0,0,0,1|2,0,0]=4 710 B15R2.7174 OB(O)C1=CN=C2C=CC(=CC2=C1)I MCULE-1105664886 [0,1,0,0,0,1|1,0,0]=3 711 B15R2.7180 CC1=CC2=C(C=N1)C=C(C=C2)B(O)O MCULE-9052957660 [0,1,0,0,0,1|2,0,0]=4 712 B15R2.7180 CC1=CC=C2C=C(C=NC2=C1)B(O)O MCULE-1252445392 [0,1,0,0,0,1|1,0,0]=3 713 B15R2.7180 CC1=NC2=C(C=C1)C=C(C=C2)B(O)O MCULE-3763582582 [0,1,0,0,0,1|2,0,0]=4 714 B15R2.7180 OB(O)C1=CC2=C(C=C1)C=C(C=C2)F MCULE-6557204310 [0,1,0,0,0,1|1,0,0]=3 715 B15R2.7180 OB(O)C1=CC2=C(C=C1)C=C(N=C2)Cl MCULE-6730131375 [0,1,0,0,0,1|2,0,0]=4 716 B15R2.7180 OB(O)C1=CC2=CC=C(C=C2C=C1)Cl MCULE-1804949067 [0,1,0,0,0,1|1,0,0]=3 717 B15R2.7180 OB(O)C1=CC2=CC=C(C=C2N=C1)Cl MCULE-2983040607 [0,1,0,0,0,1|1,0,0]=3 718 B15R2.7180 OB(O)C1=CC=C2C=C(C=CC2=C1)Br MCULE-4779098621 [0,1,0,0,0,1|1,0,0]=3 719 B15R2.7180 OB(O)C1=CC=C2C=C(C=CC2=C1)O MCULE-4168813192 [0,1,0,0,0,1|1,0,0]=3 720 B15R2.13598 CC1=C2N=CC(=CC2=CC=C1)B(O)O MCULE-5920219785 [0,1,0,0,0,1|1,0,0]=3 721 B15R2.13598 CC1=CN=CC2=C1C=CC(=C2)B(O)O MCULE-5669306709 [0,1,0,0,0,1|2,0,0]=4 722 B15R2.13598 CC1=NC=CC2=C1C=CC(=C2)B(O)O MCULE-6683957979 [0,1,0,0,0,1|2,0,0]=4 723 B15R2.13598 O=C1NC=CC2=CC(=CC=C12)B(O)O MCULE-4077293458 [0,1,0,0,0,1|2,0,0]=4 724 B15R2.13598 OB(O)C1=CC2=C(C=C1)C(=NC=C2)Cl MCULE-2407809977 [0,1,0,0,0,1|2,0,0]=4 725 B15R2.13598 OB(O)C1=CC2=CC=CC(=C2N=C1)F MCULE-4392341968 [0,1,0,0,0,1|1,0,0]=3 726 B15R2.13598 OB(O)C1=CC=C2C(=CC=NC2=C1)Cl MCULE-7611885249 [0,1,0,0,0,1|2,0,0]=4 727 B15R2.14951 CC1=C2N=CC=CC2=CC(=C1)B(O)O MCULE-4700212282 [0,1,0,0,0,1|2,0,0]=4 728 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(=O)S1 MCULE-4240347478 [0,1,0,0,0,1|1,0,1]=4 729 B15R2.14951 OB(O)C1=CC(=C2C=NC=CC2=C1)F MCULE-8036339899 [0,1,0,0,0,1|2,0,0]=4 730 B15R2.14951 OB(O)C1=CC(=C2N=CC=CC2=C1)Cl MCULE-2044799553 [0,1,0,0,0,1|2,0,0]=4 731 B15R2.14951 OB(O)C1=CC(=C2N=CC=CC2=C1)F MCULE-5132945747 [0,1,0,0,0,1|2,0,0]=4 732 B15R2.61353 CC1=NC=CC2=C1C=C(C=C2)B(O)O MCULE-7358743959 [0,1,0,0,0,1|2,0,0]=4 733 B15R2.61353 OB(O)C1=CC2=C(C=CC=C2C=C1)F MCULE-1104307801 [0,1,0,0,0,1|1,0,0]=3 734 B15R2.61353 OB(O)C1=CC2=C(N=CC=C2C=C1)Cl MCULE-2668341582 [0,1,0,0,0,1|2,0,0]=4 735 B15R2.61353 OB(O)C1=CC=C2C=CN=C(C2=C1)O MCULE-5407749291 [0,1,0,0,0,1|2,0,0]=4 736 B15R2.630 O=P(O)(O)C1=C(C2=C([Se]1)C=CC=C2)Br MCULE-8675981402 [0,2,0,0,0,0|1,1,0]=4 737 B15R2.1592 CN1C2=CC=CC=C2C=C1C(O)CO MCULE-5190974453 [0,2,0,0,0,0|2,0,0]=4 738 B15R2.1592 COC(=O)C1=C(C2=C(S1)C=CC=C2)C MCULE-5999494638 [0,2,0,0,0,0|1,0,1]=4 739 B15R2.1592 COC(=O)C1=C(C2=C(S1)C=CC=C2)O MCULE-3342036623 [0,2,0,0,0,0|1,0,1]=4 740 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)Br MCULE-8887950735 [0,2,0,0,0,0|1,0,1]=4 741 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)Cl MCULE-5208992501 [0,2,0,0,0,0|1,0,1]=4 742 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)I MCULE-6812614752 [0,2,0,0,0,0|1,0,1]=4 743 B15R2.1592 COC(=O)C1=C(C2=CC=CC=C2S1)N MCULE-7495808490 [0,2,0,0,0,0|1,0,1]=4 744 B15R2.1592 O=C(NO)C1=C(C2=C(S1)C=CC=C2)Cl MCULE-1205559153 [0,2,0,0,0,0|1,0,1]=4 745 B15R2.4190 CCC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-2304338578 [0,2,0,0,0,0|1,0,1]=4 746 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)Br)C(=O)O MCULE-5606706643 [0,2,0,0,0,0|1,0,1]=4 747 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)Cl)B(O)O MCULE-8890150745 [0,2,0,0,0,0|0,0,0]=2 748 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)O MCULE-4232018875 [0,2,0,0,0,0|1,0,1]=4 749 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)F)C(=O)O MCULE-4641764763 [0,2,0,0,0,0|1,0,1]=4 750 B15R2.7203 CC1=C(SC2=CC=C(C=C12)Cl)S(=O)O MCULE-5859041117 [0,2,0,0,0,0|1,0,1]=4 751 B15R2.7203 CC1=CC2=C(C=C1)SC(=C2C)C(=O)O MCULE-7926967617 [0,2,0,0,0,0|1,0,1]=4 752 B15R2.7203 CN1C(=CC2=C1C=C(C=C2)Cl)B(O)O MCULE-5866255387 [0,2,0,0,0,0|1,0,0]=3 753 B15R2.7203 NC1=C(SC2=CC=C(C=C12)F)C(=O)O MCULE-8908395807 [0,2,0,0,0,0|1,0,1]=4 754 B15R2.13463 CC1=C(SC2=C(C=CC=C12)Cl)C(=O)O MCULE-8019661927 [0,2,0,0,0,0|1,0,1]=4 755 B15R2.13463 CN1C(=CC2=C1C=CC=C2Cl)B(O)O MCULE-7623446020 [0,2,0,0,0,0|1,0,0]=3 756 B15R2.13463 NC1=C(SC2=C(C=CC=C12)F)C(=O)O MCULE-1352160353 [0,2,0,0,0,0|1,0,1]=4 757 B15R2.13463 NC1=C(SC2=C1C=CC=C2Br)C(=O)O MCULE-5260907751 [0,2,0,0,0,0|1,0,1]=4 758 B15R2.13463 O=C(O)C1=C(C2=CC=CC(=C2S1)Cl)O MCULE-4953948758 [0,2,0,0,0,0|1,0,1]=4 759 B15R2.13629 CC1=C(SC2=C1C(=CC=C2)F)C(=O)O MCULE-9658463577 [0,2,0,0,0,0|1,0,1]=4 760 B15R2.13629 CC1=C(SC2=CC=CC(=C12)Cl)C(=O)O MCULE-3021085317 [0,2,0,0,0,0|1,0,1]=4 761 B15R2.13629 CC1=C2C(=CC=C1)SC(=C2Cl)C(=O)O MCULE-5309652919 [0,2,0,0,0,0|1,0,1]=4 762 B15R2.13629 NC1=C(SC2=C1C(=CC=C2)F)C(=O)O MCULE-9083312908 [0,2,0,0,0,0|1,0,1]=4 763 B15R2.13629 O=C(O)C1=C(C2=C(C=CC=C2S1)F)Cl MCULE-5778238073 [0,2,0,0,0,0|1,0,1]=4 764 B15R2.13629 O=C(O)C1=C(C2=C(S1)C=CC=C2Br)Cl MCULE-3814207050 [0,2,0,0,0,0|1,0,1]=4 765 B15R2.13629 O=C(O)C1=C(C2=C(S1)C=CC=C2Cl)Cl MCULE-9931805377 [0,2,0,0,0,0|1,0,1]=4 766 B15R2.14758 CC1=C(SC2=C1C=CC(=C2)F)C(=O)O MCULE-6384538597 [0,2,0,0,0,0|1,0,1]=4 767 B15R2.14758 CC1=C(SC2=CC(=CC=C12)Cl)C(=O)O MCULE-6352007775 [0,2,0,0,0,0|1,0,1]=4 768 B15R2.14758 CC1=CC2=C(C=C1)C(=C(S2)C(=O)O)Cl MCULE-3549045158 [0,2,0,0,0,0|1,0,1]=4 769 B15R2.14758 NC1=C(SC2=C1C=CC(=C2)Br)C(=O)O MCULE-9805993085 [0,2,0,0,0,0|1,0,1]=4 770 B15R2.14758 NC1=C(SC2=CC(=CC=C12)F)C(=O)O MCULE-5999296930 [0,2,0,0,0,0|1,0,1]=4 771 B15R2.14758 O=C(O)C1=C(C2=C(S1)C=C(C=C2)Br)Cl MCULE-9012375745 [0,2,0,0,0,0|1,0,1]=4 772 B15R2.14758 O=C(O)C1=C(C2=C(S1)C=C(C=C2)Br)O MCULE-2279043463 [0,2,0,0,0,0|1,0,1]=4 773 B15R2.14758 O=C(O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl MCULE-9040814889 [0,2,0,0,0,0|1,0,1]=4 774 B15R2.14758 O=C(O)C1=C(C2=C(S1)C=C(C=C2)F)Cl MCULE-5864466781 [0,2,0,0,0,0|1,0,1]=4 775 B15R2.14758 O=C(O)C1=C(C2=CC=C(C=C2S1)Cl)O MCULE-6363653726 [0,2,0,0,0,0|1,0,1]=4 776 B15R2.908 CC(O)(CN)C1=CC2=CC=CC=C2S1 MCULE-8480483925 [0,2,0,0,0,0|2,0,0]=4 777 B15R2.1356 CCOC(=O)C1=CC2=C(S1)C=CC=C2 MCULE-2771438774 [0,2,0,0,0,0|1,0,1]=4 778 B15R2.1590 COC(=O)C1=CC2=C(S1)C=C(C=C2)Br MCULE-4979181236 [0,2,0,0,0,0|1,0,1]=4 779 B15R2.1590 COC(=O)C1=CC2=C(S1)C=C(C=C2)Cl MCULE-1507981200 [0,2,0,0,0,0|1,0,1]=4 780 B15R2.1590 COC(=O)C1=CC2=C(S1)C=C(C=C2)F MCULE-8962862900 [0,2,0,0,0,0|1,0,1]=4 781 B15R2.1590 COC(=O)C1=CC2=C(S1)C=CC(=C2)Br MCULE-8059095102 [0,2,0,0,0,0|1,0,1]=4 782 B15R2.1590 COC(=O)C1=CC2=C(S1)C=CC(=C2)C MCULE-1256182191 [0,2,0,0,0,0|1,0,1]=4 783 B15R2.1590 COC(=O)C1=CC2=C(S1)C=CC(=C2)Cl MCULE-2730400660 [0,2,0,0,0,0|1,0,1]=4 784 B15R2.1590 COC(=O)C1=CC2=C(S1)C=CC(=C2)F MCULE-3630293645 [0,2,0,0,0,0|1,0,1]=4 785 B15R2.1590 COC(=O)C1=CC2=C(S1)C=CC(=C2)N MCULE-2675812700 [0,2,0,0,0,0|1,0,1]=4 786 B15R2.1590 COC(=O)C1=CC2=CC(=CC=C2S1)O MCULE-7109136207 [0,2,0,0,0,0|1,0,1]=4 787 B15R2.1590 COC(=O)C1=CC2=CC=C(C=C2S1)C MCULE-4408454252 [0,2,0,0,0,0|1,0,1]=4 788 B15R2.1590 COC(=O)C1=CC2=CC=C(C=C2S1)N MCULE-7002675451 [0,2,0,0,0,0|1,0,1]=4 789 B15R2.1598 COC(=O)C1=CC2=C(C=CC=C2S1)I MCULE-7525971007 [0,2,0,0,0,0|1,0,1]=4 790 B15R2.1598 COC(=O)C1=CC2=C(S1)C(=CC=C2)Br MCULE-1518389325 [0,2,0,0,0,0|1,0,1]=4 791 B15R2.1598 COC(=O)C1=CC2=C(S1)C(=CC=C2)Cl MCULE-1343449143 [0,2,0,0,0,0|1,0,1]=4 792 B15R2.1598 COC(=O)C1=CC2=C(S1)C(=CC=C2)F MCULE-7586474366 [0,2,0,0,0,0|1,0,1]=4 793 B15R2.1598 COC(=O)C1=CC2=C(S1)C(=CC=C2)N MCULE-3942458417 [0,2,0,0,0,0|1,0,1]=4 794 B15R2.1598 COC(=O)C1=CC2=C(S1)C(=CC=C2)O MCULE-9664282707 [0,2,0,0,0,0|1,0,1]=4 795 B15R2.1598 COC(=O)C1=CC2=C(S1)C=CC=C2Br MCULE-2354675224 [0,2,0,0,0,0|1,0,1]=4 796 B15R2.1598 COC(=O)C1=CC2=C(S1)C=CC=C2C MCULE-4920358742 [0,2,0,0,0,0|1,0,1]=4 797 B15R2.1598 COC(=O)C1=CC2=C(S1)C=CC=C2Cl MCULE-3225552422 [0,2,0,0,0,0|1,0,1]=4 798 B15R2.1598 COC(=O)C1=CC2=C(S1)C=CC=C2F MCULE-4406862392 [0,2,0,0,0,0|1,0,1]=4 799 B15R2.1598 COC(=O)C1=CC2=C(S1)C=CC=C2O MCULE-6329212611 [0,2,0,0,0,0|1,0,1]=4 800 B15R2.1102 O=C(O)C1=CC2=C(S1)C=C(C(=C2)O)O MCULE-3402675689 [0,2,0,0,0,0|1,0,1]=4 801 B15R2.1102 O=C(O)C1=CC2=CC(=C(C=C2S1)Cl)F MCULE-5407878119 [0,2,0,0,0,0|1,0,1]=4 802 B15R2.4834 COC1=CC2=C(C=C1)C=C(S2)B(O)O MCULE-2199796662 [0,2,0,0,0,0|0,0,0]=2 803 B15R2.4834 COC1=CC2=C(C=C1)NC(=C2)B(O)O MCULE-2483428450 [0,2,0,0,0,0|1,0,0]=3 804 B15R2.4834 COC1=CC=C2C=C(OC2=C1)B(O)O MCULE-5882985279 [0,2,0,0,0,0|0,1,0]=3 805 B15R2.4834 COC1=CC=C2C=C(SC2=C1)C(=O)O MCULE-1577459000 [0,2,0,0,0,0|1,0,1]=4 806 B15R2.4834 COC1=CC=C2OC(=CC2=C1)B(O)O MCULE-8685791235 [0,2,0,0,0,0|0,1,0]=3 807 B15R2.4834 COC1=CC=C2SC(=CC2=C1)B(O)O MCULE-5787646587 [0,2,0,0,0,0|0,0,0]=2 808 B15R2.4834 COC1=CC=C2SC(=CC2=C1)C(=O)O MCULE-2996887718 [0,2,0,0,0,0|1,0,1]=4 809 B15R2.4834 N#CC1=CC2=C(C=C1)NC(=C2)B(O)O MCULE-5273746862 [0,2,0,0,0,0|1,0,0]=3 810 B15R2.4834 N#CC1=CC=C2C=C(NC2=C1)B(O)O MCULE-4171197921 [0,2,0,0,0,0|1,0,0]=3 811 B15R2.4834 N#CC1=CC=C2C=C(SC2=C1)C(=O)O MCULE-3652485198 [0,2,0,0,0,0|1,0,1]=4 812 B15R2.4834 N#CC1=CC=C2OC(=CC2=C1)B(O)O MCULE-2877809805 [0,2,0,0,0,0|0,1,0]=3 813 B15R2.4834 N#CC1=CC=C2SC(=CC2=C1)B(O)O MCULE-9710429835 [0,2,0,0,0,0|0,0,0]=2 814 B15R2.4834 N#CC1=CC=C2SC(=CC2=C1)C(=O)O MCULE-1140587814 [0,2,0,0,0,0|1,0,1]=4 815 B15R2.4834 O=CC1=CC2=C(C=C1)C=C(N2)B(O)O MCULE-5326835325 [0,2,0,0,0,0|1,0,0]=3 816 B15R2.4834 OCC1=CC=C2NC(=CC2=C1)B(O)O MCULE-7590390009 [0,2,0,0,0,0|1,0,0]=3 817 B15R2.7254 CC1=CC=C2C=C(SC2=C1F)C(=O)O MCULE-9686481280 [0,2,0,0,0,0|1,0,1]=4 818 B15R2.7254 O=C(O)C1=CC2=C(S1)C(=C(C=C2)F)Br MCULE-6969391509 [0,2,0,0,0,0|1,0,1]=4 819 B15R2.7254 O=C(O)C1=CC2=C(S1)C(=C(C=C2)F)F MCULE-8998178169 [0,2,0,0,0,0|1,0,1]=4 820 B15R2.7254 O=C(O)C1=CC2=CC=C(C(=C2S1)Cl)Cl MCULE-3717168550 [0,2,0,0,0,0|1,0,1]=4 821 B15R2.7254 O=C(O)C1=CC2=CC=C(C(=C2S1)Cl)F MCULE-1288669573 [0,2,0,0,0,0|1,0,1]=4 822 B15R2.15633 CC1=C2SC(=CC2=CC(=C1)Br)C(=O)O MCULE-5718260361 [0,2,0,0,0,0|1,0,1]=4 823 B15R2.15633 O=C(O)C1=CC2=C(C=C(C=C2S1)F)Br MCULE-8486846276 [0,2,0,0,0,0|1,0,1]=4 824 B15R2.15633 O=C(O)C1=CC2=CC(=CC(=C2S1)F)F MCULE-1341473190 [0,2,0,0,0,0|1,0,1]=4 825 B15R2.20824 COC1=C2C=C(SC2=CC=C1)C(=O)O MCULE-5438365120 [0,2,0,0,0,0|1,0,1]=4 826 B15R2.20824 COC1=C2OC(=CC2=CC=C1)B(O)O MCULE-3026636575 [0,2,0,0,0,0|0,1,0]=3 827 B15R2.20824 COC1=CC=CC2=C1C=C(N2)B(O)O MCULE-8191406774 [0,2,0,0,0,0|1,0,0]=3 828 B15R2.20824 COC1=CC=CC2=C1NC(=C2)B(O)O MCULE-6859668378 [0,2,0,0,0,0|1,0,0]=3 829 B15R2.20824 COC1=CC=CC2=C1SC(=C2)B(O)O MCULE-5207364467 [0,2,0,0,0,0|0,0,0]=2 830 B15R2.20824 COC1=CC=CC2=C1SC(=C2)C(=O)O MCULE-7656358931 [0,2,0,0,0,0|1,0,1]=4 831 B15R2.20824 N#CC1=C2C=C(SC2=CC=C1)C(=O)O MCULE-7702199259 [0,2,0,0,0,0|1,0,1]=4 832 B15R2.20824 N#CC1=C2SC(=CC2=CC=C1)B(O)O MCULE-9299224963 [0,2,0,0,0,0|0,0,0]=2 833 B15R2.20824 N#CC1=CC=CC2=C1C=C(N2)B(O)O MCULE-9172298593 [0,2,0,0,0,0|1,0,0]=3 834 B13R2.72 OB(O)C1=CCC2=C1C=CC=C2 MCULE-5045808523 [0,0,1,1,0,0|1,0,1]=4 835 B13R2.72 OB(O)C1=CN=C2N1C=CC=C2 MCULE-8960537484 [0,0,1,1,0,0|2,0,0]=4 836 B13R2.72 OB(O)C1=CNC2=C1C=CC=C2 MCULE-1174263630 [0,0,1,1,0,0|2,0,0]=4 837 B13R2.72 OB(O)C1=COC2=C1C=CC=C2 MCULE-6990334748 [0,0,1,1,0,0|2,0,0]=4 838 B13R2.72 OB(O)C1=CSC2=CC=CC=C12 MCULE-6169183362 [0,0,1,1,0,0|2,0,0]=4 839 B13R2.430 OB(O)C1=CC2=C(C=C1)NC=C2 MCULE-4226834255 [0,0,1,1,0,0|2,0,0]=4 840 B13R2.430 OB(O)C1=CC2=C(C=C1)SC=C2 MCULE-7261021021 [0,0,1,1,0,0|2,0,0]=4 841 B13R2.430 OB(O)C1=CC2=C(C=CO2)C=C1 MCULE-8723378791 [0,0,1,1,0,0|2,0,0]=4 842 B13R2.430 OB(O)C1=CC=C2C=CNC2=C1 MCULE-9905556365 [0,0,1,1,0,0|2,0,0]=4 843 B13R2.430 OB(O)C1=CC=C2C=CNC2=N1 MCULE-2980718484 [0,0,1,1,0,0|2,0,0]=4 844 B13R2.430 OB(O)C1=CC=C2C=CSC2=C1 MCULE-1094739951 [0,0,1,1,0,0|2,0,0]=4 845 B13R2.430 OB(O)C1=CC=C2OC=CC2=C1 MCULE-2511810293 [0,0,1,1,0,0|2,0,0]=4 846 B13R2.5569 OB(O)C1=CC=CC2=C1C=CN2 MCULE-4587172203 [0,0,1,1,0,0|2,0,0]=4 847 B13R2.5569 OB(O)C1=CC=CC2=C1C=CS2 MCULE-6864825489 [0,0,1,1,0,0|2,0,0]=4 848 B13R2.5569 OB(O)C1=CC=CC2=C1NC=C2 MCULE-5380213337 [0,0,1,1,0,0|2,0,0]=4 849 B13R2.5569 OB(O)C1=CC=CC2=C1OC=C2 MCULE-3931115111 [0,0,1,1,0,0|2,0,0]=4 850 B13R2.5569 OB(O)C1=CC=CC2=C1SC=C2 MCULE-3908521602 [0,0,1,1,0,0|2,0,0]=4 851 B13R2.5569 OB(O)C1=CC=CC2=CC=NN12 MCULE-9669815416 [0,0,1,1,0,0|2,0,0]=4 852 B11R1.36 C=C(B(O)O)C1=CC=CC=C1 MCULE-5749545378 [0,0,1,0,1,0|0,0,0]=2 853 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 MCULE-5986972742 [0,0,1,0,1,0|1,0,1]=4 854 B11R1.36 O=C(C1=CC=CC=C1)C(O)O MCULE-8391488510 [0,0,1,0,1,0|1,1,0]=4 855 B11R1.86 OB(O)CC1=C(C=CC=C1)Cl MCULE-7021290633 [0,0,1,0,1,0|1,0,1]=4 856 B11R2.15 OCC1=CC2=C(S1)C=CS2 MCULE-2917111016 [1,0,0,0,1,0|2,0,0]=4 857 B11R2.988 N#CC1=CC2=CC=CC=C12 MCULE-5297831634 [1,0,0,0,1,0|2,0,0]=4 858 B11R2.988 OCC1=CC2=CC=CC=C12 MCULE-9593822851 [1,0,0,0,1,0|1,0,0]=3 859 B13R2.57 O/N=C/1\C=NC2=CC=CC=C2N1 MCULE-2291331239 [1,0,0,0,0,1|2,0,0]=4 860 B13R2.57 OCC1=CC2=C(C=CC=C2)C=N1 MCULE-5516456389 [1,0,0,0,0,1|2,0,0]=4 861 B13R2.57 OCC1=CC2=C(C=CC=C2)N=C1 MCULE-8275640080 [1,0,0,0,0,1|2,0,0]=4 862 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 MCULE-6177374469 [1,0,0,0,0,1|2,0,0]=4 863 B13R2.57 OCC1=CC2=CC=CC=C2OC1 MCULE-2242538378 [1,0,0,0,0,1|1,1,0]=4 864 B13R2.57 OCC1=CNC2=C(N1)C=CC=C2 MCULE-3108757067 [1,0,0,0,0,1|2,0,0]=4 865 B13R2.57 OCC1=NC2=C(C=CC=C2)C=C1 MCULE-8725579790 [1,0,0,0,0,1|2,0,0]=4 866 B13R2.57 OCC1=NC2=C(C=CC=C2)C=C1 MCULE-8796968346 [1,0,0,0,0,1|2,0,0]=4 867 B13R2.57 OCC1=NC2=CC=CC=C2N=C1 MCULE-9547583591 [1,0,0,0,0,1|2,0,0]=4 868 B15R2.1660 O=C(O)CCC1=CC2=C(S1)C=CC=C2 MCULE-4939959815 [0,0,0,0,0,2|1,0,1]=4 869 B15R2.1668 OB(O)CC1=CC2=C(C=CC=C2)C=C1 MCULE-8437068207 [0,0,0,0,0,2|1,0,0]=3