0 B18R2.17930 COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)C MCULE-7665727870 [0,0,0,0,0,0|0,0,2]=2 1 B18R2.17930 COC1=CC2=C(C=C1)C=C(C=C2)/C=C\C(=O)C MCULE-4213034388 [0,0,0,0,0,0|0,0,2]=2 2 B18R2.17930 COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)C MCULE-2122075917 [0,0,0,0,0,0|0,0,2]=2 3 B18R2.17930 COC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)C MCULE-1154926005 [0,0,0,0,0,0|0,0,0]=0 4 B18R2.17930 COC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)O MCULE-1680332889 [0,0,0,0,0,0|1,0,0]=1 5 B18R2.17930 COC1=CC=C2C=C(C=CC2=C1)C#CC(=O)O MCULE-6226643369 [0,0,0,0,0,0|1,0,2]=3 6 B18R2.17930 COC1=CC=C2C=C(C=CC2=C1)C#CC(C)O MCULE-3216794268 [0,0,0,0,0,0|0,0,4]=4 7 B18R2.17930 O=CC1=CC=C2C=C(C=CC2=C1)OCC(=O)O MCULE-9753657091 [0,0,0,0,0,0|4,0,0]=4 8 B17R2.19759 CC(=O)COC1=CC2=C(C=C1)C=C(C=C2)Br MCULE-7062688133 [1,0,0,0,0,0|2,0,0]=3 9 B17R2.19759 CC1=NC2=CC=C(C=C2C=C1)OCC(=O)O MCULE-2591715198 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.19759 O=C(O)COC1=CC2=C(C=C1)C=C(C=C2)Br MCULE-7040453305 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.19759 O=C(O)CSC1=CC2=C(C=C1)C=C(C=C2)O MCULE-8081877484 [1,0,0,0,0,0|2,0,0]=3 12 B17R2.59609 COC1=CC2=C(C=C1)C=C(C=C2)CCCO MCULE-8872546369 [1,0,0,0,0,0|0,0,2]=3 13 B19R2.1486409 COC1=CC=C2C=C(C(=O)NC2=C1)CCC(=O)O MCULE-8281283376 [0,1,0,0,0,0|2,0,0]=3 14 B19R2.1630702 C=C(C)C[C@@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-8495035264 [0,1,0,0,0,0|1,0,0]=2 15 B19R2.1630702 C=C(C)C[C@@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-9484812143 [0,1,0,0,0,0|1,0,0]=2 16 B19R2.1630702 C=C(C)C[C@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-3002656146 [0,1,0,0,0,0|1,0,0]=2 17 B19R2.1630702 C=C(C)C[C@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-7692420621 [0,1,0,0,0,0|1,0,0]=2 18 B19R2.1630702 COC1=CC2=C(C=C1)C=C(C=C2)C(O)CC(=O)C MCULE-3318875745 [0,1,0,0,0,0|0,0,0]=1 19 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)/C(=C/C(=O)C)/O MCULE-8252822959 [0,1,0,0,0,0|0,0,2]=3 20 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CC(C)C MCULE-4219239889 [0,1,0,0,0,0|1,0,1]=3 21 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CC(C)C MCULE-5674100102 [0,1,0,0,0,0|1,0,1]=3 22 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CC(F)F MCULE-9825451190 [0,1,0,0,0,0|2,0,1]=4 23 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CC(F)F MCULE-9995540791 [0,1,0,0,0,0|2,0,1]=4 24 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CC(C)C MCULE-7458712750 [0,1,0,0,0,0|1,0,1]=3 25 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CC(C)C MCULE-8939522601 [0,1,0,0,0,0|1,0,1]=3 26 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CC(F)F MCULE-8315259412 [0,1,0,0,0,0|2,0,1]=4 27 B19R2.1630702 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CC(F)F MCULE-9375337492 [0,1,0,0,0,0|2,0,1]=4 28 B19R2.1630702 COC1=CC=C2C=C(C=CC2=C1)C(=O)C=C(C)C MCULE-3665664229 [0,1,0,0,0,0|1,0,2]=4 29 B19R2.1630702 COC1=CC=C2C=C(C=CC2=C1)C(=O)CC(C)C MCULE-9197991858 [0,1,0,0,0,0|1,0,2]=4 30 B19R2.1630703 COC1=CC2=C(C=C1)C=C(C=C2)CC(C)C(=O)O MCULE-3061297388 [0,1,0,0,0,0|1,0,0]=2 31 B19R2.1630703 COC1=CC=C2C=C(C=CC2=C1)CC(N)C(=O)O MCULE-7902494562 [0,1,0,0,0,0|1,0,0]=2 32 B19R2.1630703 COC1=CC=C2C=C(C=CC2=C1)CC(N)C(=O)O MCULE-8508619231 [0,1,0,0,0,0|1,0,0]=2 33 B19R2.1630703 COC1=CC=C2C=C(C=CC2=C1)OC(C)C(=O)O MCULE-5756109209 [0,1,0,0,0,0|2,0,0]=3 34 B19R2.1630704 COC(=O)C#CC1=CC2=CC=C(C=C2C=C1)OC MCULE-3920695722 [0,1,0,0,0,0|0,0,2]=3 35 B19R2.1630704 COC1=CC2=C(C=C1)C=C(C=C2)OCC(=O)NN MCULE-7532880205 [0,1,0,0,0,0|2,0,0]=3 36 B19R2.1637441 COC1=CC=C2N=C(C=C(C2=C1)C)SCC(=O)N MCULE-4379745079 [0,1,0,0,0,0|3,0,0]=4 37 B17R1.28454 COC1=CC(=CC=C1)C=CC(=O)NCC(=O)O MCULE-6041659349 [0,0,1,0,0,0|3,0,0]=4 38 B17R2.2764 COC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-9973201296 [0,0,0,0,1,0|2,0,0]=3 39 B17R2.2764 COC1=CC2=C(C=C1)N(C=C2)CCC(=O)O MCULE-1060838473 [0,0,0,0,1,0|2,0,0]=3 40 B17R2.2764 COC1=CC=C2C(=CNC2=C1)CCN(C)C MCULE-4327237078 [0,0,0,0,1,0|3,0,0]=4 41 B17R2.11737 C=C(Br)CC1=CC2=C(C=C1)C=C(C=C2)OC MCULE-8639872985 [0,0,0,0,1,0|1,0,1]=3 42 B17R2.11737 C=C(C)CC1=CC2=CC=C(C=C2C=C1)OC MCULE-3526365702 [0,0,0,0,1,0|1,0,0]=2 43 B17R2.11737 C=C(Cl)CC1=CC2=C(C=C1)C=C(C=C2)OC MCULE-3899717384 [0,0,0,0,1,0|1,0,1]=3 44 B17R2.11737 COC1=CC=C2C=C(C=CC2=C1)CC(=O)O MCULE-6960041836 [0,0,0,0,1,0|1,0,0]=2 45 B17R2.11737 COC1=CC=C2C=C(C=CC2=C1)CC(C)O MCULE-3118291056 [0,0,0,0,1,0|0,0,2]=3 46 B17R2.11953 COC1=CC=C2NC(=NC2=C1)CCC(=O)O MCULE-8137284504 [0,0,0,0,1,0|3,0,0]=4 47 B17R2.11953 COC1=CC=C2NC(=NC2=C1)CCC(=O)O MCULE-8769986840 [0,0,0,0,1,0|3,0,0]=4 48 B19R2.295308 COC1=CC2=CC=C(C=C2C=C1)C=NOC(=O)C MCULE-7588575733 [0,0,0,0,0,1|1,0,1]=3 49 B19R2.295308 COC1=CC=C2C=C(C=CC2=C1)C#CCC(C)C MCULE-3737309713 [0,0,0,0,0,1|1,0,2]=4 50 B19R2.295308 COC1=CC=C2C=C(C=CC2=C1)C#CCC(C)O MCULE-6946414707 [0,0,0,0,0,1|0,0,3]=4 51 B19R2.295308 COC1=CC=C2C=C(C=CC2=C1)C#CCN(C)C MCULE-5140987965 [0,0,0,0,0,1|2,0,1]=4 52 B16R2.477 C=C(Br)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-3639545267 [2,0,0,0,0,0|1,0,1]=4 53 B16R2.477 C=C(C)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2167541389 [2,0,0,0,0,0|1,0,0]=3 54 B16R2.477 C=C(Cl)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-5757227541 [2,0,0,0,0,0|1,0,1]=4 55 B16R2.477 CC(=O)CSC1=NC2=C(C=CC=C2)C=C1 MCULE-7247358587 [2,0,0,0,0,0|2,0,0]=4 56 B16R2.477 CC(=O)CSC1=[NH+]C2=CC=CC=C2C=C1 MCULE-2133006188 [2,0,0,0,0,0|2,0,0]=4 57 B16R2.477 CC(=O)NNC1=CC2=CC=CC=C2C=C1 MCULE-4083553803 [2,0,0,0,0,0|2,0,0]=4 58 B16R2.477 CC(=O)OCC1=CC=C2C=CC=CC2=C1 MCULE-6765739129 [2,0,0,0,0,0|1,0,0]=3 59 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 MCULE-7673773890 [2,0,0,0,0,0|2,0,0]=4 60 B16R2.477 NC(=O)CSC1=CC2=CC=CC=C2C=C1 MCULE-4007125842 [2,0,0,0,0,0|2,0,0]=4 61 B16R2.477 O=C(Cl)COC1=CC2=C(C=CC=C2)C=C1 MCULE-2433654188 [2,0,0,0,0,0|2,0,0]=4 62 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2576748975 [2,0,0,0,0,0|1,0,0]=3 63 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 MCULE-1008565666 [2,0,0,0,0,0|2,0,0]=4 64 B16R2.477 O=C(O)CCC1=NC2=C(C=CC=C2)C=C1 MCULE-7965912465 [2,0,0,0,0,0|2,0,0]=4 65 B16R2.477 O=C(O)CNC1=CC=C2C=CC=CC2=C1 MCULE-1725837215 [2,0,0,0,0,0|2,0,0]=4 66 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 MCULE-2200583599 [2,0,0,0,0,0|2,0,0]=4 67 B16R2.477 O=C(O)CSC1=CC=C2C=CC=CC2=C1 MCULE-6862066159 [2,0,0,0,0,0|2,0,0]=4 68 B16R2.477 O=C([O-])COC1=CC=C2C=CC=CC2=C1 MCULE-1163859335 [2,0,0,0,0,0|2,0,0]=4 69 B16R2.28230 C=CCC1=CC2=CC=C(C=C2C=C1)OC MCULE-8595133252 [2,0,0,0,0,0|0,0,1]=3 70 B16R2.28230 CCCC1=CC2=C(C=C1)C=C(C=C2)OC MCULE-3024903864 [2,0,0,0,0,0|0,0,0]=2 71 B16R2.28230 CNCC1=NC2=CC=C(C=C2C=C1)OC MCULE-5959031793 [2,0,0,0,0,0|2,0,0]=4 72 B16R2.28230 CNCC1=NC2=CC=C(C=C2C=C1)OC MCULE-8947062304 [2,0,0,0,0,0|2,0,0]=4 73 B16R2.28230 COC1=CC2=C(C=C1)C=C(C=C2)CCN MCULE-8387568676 [2,0,0,0,0,0|1,0,0]=3 74 B16R2.28230 COC1=CC2=CC=C(C=C2C=C1)CC#N MCULE-1524515106 [2,0,0,0,0,0|1,0,1]=4 75 B16R2.28230 COC1=CC=C2C=C(C=CC2=C1)CCO MCULE-1381932489 [2,0,0,0,0,0|0,0,1]=3 76 B18R2.101667 CNC(=O)COC1=CC=C2C=C(C=CC2=C1)Br MCULE-8188267768 [1,1,0,0,0,0|2,0,0]=4 77 B18R2.101667 COC(=O)COC1=CC2=C(C=C1)C=C(C=C2)Br MCULE-6943285603 [1,1,0,0,0,0|2,0,0]=4 78 B18R2.339506 C=C(C)C[C@@H](N)C1=CC=C2C=C(C=CC2=C1)O MCULE-3319702455 [1,1,0,0,0,0|1,0,0]=3 79 B18R2.339506 C=C(C)C[C@@H](N)C1=CC=C2C=C(C=CC2=C1)O MCULE-6636258169 [1,1,0,0,0,0|1,0,0]=3 80 B18R2.339506 C=C(C)C[C@H](N)C1=CC=C2C=C(C=CC2=C1)O MCULE-6347887362 [1,1,0,0,0,0|1,0,0]=3 81 B18R2.339506 C=C(C)C[C@H](N)C1=CC=C2C=C(C=CC2=C1)O MCULE-8080148407 [1,1,0,0,0,0|1,0,0]=3 82 B18R2.339506 CC(C)C[C@@H](N)C1=CC=C2C=C(C=CC2=C1)O MCULE-1319407724 [1,1,0,0,0,0|1,0,1]=4 83 B18R2.339506 CC(C)C[C@@H](N)C1=CC=C2C=C(C=CC2=C1)O MCULE-7044513957 [1,1,0,0,0,0|1,0,1]=4 84 B18R2.339506 CC(C)C[C@H](N)C1=CC=C2C=C(C=CC2=C1)O MCULE-2225052360 [1,1,0,0,0,0|1,0,1]=4 85 B18R2.339506 CC(C)C[C@H](N)C1=CC=C2C=C(C=CC2=C1)O MCULE-9444727635 [1,1,0,0,0,0|1,0,1]=4 86 B18R2.491264 CC(=O)OCC1=CC2=CC=C(C=C2NC1=O)C MCULE-8841060775 [1,1,0,0,0,0|2,0,0]=4 87 B18R2.491264 CC1=CC=C2C=C(C(=NC2=C1)Cl)CCC(=O)O MCULE-8792247306 [1,1,0,0,0,0|2,0,0]=4 88 B18R2.491264 CC1=CC=C2C=C(C(=O)NC2=C1)CCC(=O)O MCULE-3650675646 [1,1,0,0,0,0|2,0,0]=4 89 B18R2.81596 C=CC[C@@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-3918405623 [1,1,0,0,0,0|0,0,1]=3 90 B18R2.81596 C=CC[C@@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-4337117350 [1,1,0,0,0,0|0,0,1]=3 91 B18R2.81596 C=CC[C@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-3557102172 [1,1,0,0,0,0|0,0,1]=3 92 B18R2.81596 C=CC[C@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-9831806227 [1,1,0,0,0,0|0,0,1]=3 93 B18R2.81596 CC=CC(=O)C1=CC2=CC=C(C=C2C=C1)OC MCULE-3026118267 [1,1,0,0,0,0|0,0,2]=4 94 B18R2.81596 CCCC(=O)C1=CC2=CC=C(C=C2C=C1)OC MCULE-8739237728 [1,1,0,0,0,0|0,0,2]=4 95 B18R2.81596 CCC[C@@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-2552660381 [1,1,0,0,0,0|0,0,1]=3 96 B18R2.81596 CCC[C@@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-6726123742 [1,1,0,0,0,0|0,0,1]=3 97 B18R2.81596 CCC[C@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-7270231771 [1,1,0,0,0,0|0,0,1]=3 98 B18R2.81596 CCC[C@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-9290393714 [1,1,0,0,0,0|0,0,1]=3 99 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CC#N MCULE-1979237156 [1,1,0,0,0,0|1,0,1]=4 100 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CC#N MCULE-6426060584 [1,1,0,0,0,0|1,0,1]=4 101 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CCF MCULE-1182407555 [1,1,0,0,0,0|1,0,1]=4 102 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CCF MCULE-2701707227 [1,1,0,0,0,0|1,0,1]=4 103 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CCN MCULE-3304093724 [1,1,0,0,0,0|1,0,1]=4 104 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CCN MCULE-7564197451 [1,1,0,0,0,0|1,0,1]=4 105 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CCO MCULE-5648937808 [1,1,0,0,0,0|0,0,2]=4 106 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CCO MCULE-8513880566 [1,1,0,0,0,0|0,0,2]=4 107 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CC#N MCULE-3149910399 [1,1,0,0,0,0|1,0,1]=4 108 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CC#N MCULE-8617243846 [1,1,0,0,0,0|1,0,1]=4 109 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CCF MCULE-5471035855 [1,1,0,0,0,0|1,0,1]=4 110 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CCF MCULE-6629174359 [1,1,0,0,0,0|1,0,1]=4 111 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CCN MCULE-6115055592 [1,1,0,0,0,0|1,0,1]=4 112 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CCN MCULE-7783965465 [1,1,0,0,0,0|1,0,1]=4 113 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CCO MCULE-1356257021 [1,1,0,0,0,0|0,0,2]=4 114 B18R2.81596 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CCO MCULE-6236531083 [1,1,0,0,0,0|0,0,2]=4 115 B18R2.81596 COCC(=O)C1=CC2=CC=C(C=C2C=C1)OC MCULE-6490906962 [1,1,0,0,0,0|1,0,1]=4 116 B18R2.122271 CCCC#CC1=CC2=CC=C(C=C2C=C1)OC MCULE-9533280510 [1,1,0,0,0,0|0,0,2]=4 117 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-3747477875 [0,1,0,0,1,0|2,0,0]=4 118 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)CC(N)C(=O)O MCULE-4096221799 [0,1,0,0,1,0|2,0,0]=4 119 B18R2.3108 COC1=CC2=C(C=C1)C(=CN2)C[C@H](N)C(=O)O MCULE-6456851608 [0,1,0,0,1,0|2,0,0]=4 120 B18R2.3108 COC1=CC=C2C(=CNC2=C1)C[C@@H](N)C(=O)O MCULE-6821849236 [0,1,0,0,1,0|2,0,0]=4 121 B18R2.3108 COC1=CC=C2C(=CNC2=C1)C[C@H](N)C(=O)O MCULE-6978202230 [0,1,0,0,1,0|2,0,0]=4 122 B18R2.3110 COC(=O)CCC1=CNC2=C1C=CC(=C2)OC MCULE-7007251029 [0,1,0,0,1,0|1,0,0]=3 123 B18R2.17929 C=C(C)C(=O)C1=CC2=CC=C(C=C2C=C1)OC MCULE-9531565736 [0,1,0,0,1,0|1,0,1]=4 124 B18R2.17929 COC1=CC2=C(C=C1)C=C(C=C2)C(C)C(=O)[O-] MCULE-6032265251 [0,1,0,0,1,0|1,0,0]=3 125 B18R2.17929 COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(=O)N MCULE-1386958335 [0,1,0,0,1,0|1,0,0]=3 126 B18R2.17929 COC1=CC2=CC=C(C=C2C=C1)C(C)C(=O)O MCULE-6293512671 [0,1,0,0,1,0|1,0,0]=3 127 B18R2.17929 COC1=CC2=CC=C(C=C2C=C1)[C@@H](C)C(=O)O MCULE-2427044065 [0,1,0,0,1,0|1,0,0]=3 128 B18R2.17929 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)[C@H](C)O MCULE-2645920232 [0,1,0,0,1,0|0,0,2]=4 129 B18R2.17929 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)[C@H](C)O MCULE-4302176586 [0,1,0,0,1,0|0,0,2]=4 130 B18R2.17929 COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(=O)Cl MCULE-9873749797 [0,1,0,0,1,0|1,0,0]=3 131 B18R2.17929 COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(=O)O MCULE-8718466451 [0,1,0,0,1,0|1,0,0]=3 132 B18R2.17929 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)[C@@H](C)O MCULE-2944011875 [0,1,0,0,1,0|0,0,2]=4 133 B18R2.17929 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)[C@@H](C)O MCULE-8823789204 [0,1,0,0,1,0|0,0,2]=4 134 B18R2.17929 COC1=CC=C2C=C(C=CC2=C1)C(C)C(=O)Cl MCULE-1502571148 [0,1,0,0,1,0|1,0,0]=3 135 B18R2.17929 COC1=CC=C2C=C(C=CC2=C1)C(C)C(=O)O MCULE-3333246996 [0,1,0,0,1,0|1,0,0]=3 136 B18R2.17929 COC1=CC=C2C=C(C=CC2=C1)[C@@H](C)C(=O)O MCULE-1586340160 [0,1,0,0,1,0|1,0,0]=3 137 B18R2.17929 COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C(=O)Cl MCULE-9448195541 [0,1,0,0,1,0|1,0,0]=3 138 B18R2.17929 COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C(=O)N MCULE-1522925085 [0,1,0,0,1,0|1,0,0]=3 139 B18R2.17929 COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C(=O)O MCULE-2589082817 [0,1,0,0,1,0|1,0,0]=3 140 B18R2.17929 COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C(=O)[O-] MCULE-2095997071 [0,1,0,0,1,0|1,0,0]=3 141 B18R2.17929 COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C(=O)[O-] MCULE-4455821959 [0,1,0,0,1,0|1,0,0]=3 142 B18R2.108219 COC1=CC=C2C=C(C(=O)NC2=C1)CC(=O)O MCULE-5583951304 [0,1,0,0,1,0|2,0,0]=4 143 B20R2.1645842 COC1=CC=C2N=C(C=C(C2=C1)C)SCCC(=O)O MCULE-4890553225 [0,1,0,0,0,1|2,0,0]=4 144 B20R2.2359433 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CCC(C)C MCULE-3272806726 [0,1,0,0,0,1|1,0,1]=4 145 B20R2.2359433 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CCC(C)C MCULE-7450680079 [0,1,0,0,0,1|1,0,1]=4 146 B20R2.2359433 COC1=CC2=CC=C(C=C2C=C1)[C@H](C)COC(=O)N MCULE-6687619827 [0,1,0,0,0,1|1,0,0]=3 147 B20R2.2359433 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CCC(C)C MCULE-3727806498 [0,1,0,0,0,1|1,0,1]=4 148 B20R2.2359433 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CCC(C)C MCULE-7281459389 [0,1,0,0,0,1|1,0,1]=4 149 B20R2.2359433 COC1=CC=C2C=C(C=CC2=C1)C(=O)CCC(=O)O MCULE-1744646616 [0,1,0,0,0,1|1,0,0]=3 150 B20R2.2359433 COC1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C MCULE-3852381111 [0,1,0,0,0,1|0,0,1]=3 151 B20R2.1647247 COC1=CC=C2C=C(C(=O)NC2=C1)CN(C)C(=O)C MCULE-5179205344 [0,2,0,0,0,0|2,0,0]=4 152 B20R2.1647249 COC(=O)CSC1=C(C=C2C=C(C=CC2=N1)OC)C MCULE-5300885325 [0,2,0,0,0,0|2,0,0]=4 153 B20R2.15160278 COC1=CC=C2C(=C1)OC(=O)C(=C2C)CCC(=O)O MCULE-4713267433 [0,2,0,0,0,0|2,0,0]=4 154 B20R2.2359448 COC(=O)C[C@@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-4443580470 [0,2,0,0,0,0|0,0,0]=2 155 B20R2.2359448 COC(=O)C[C@@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-5789133245 [0,2,0,0,0,0|0,0,0]=2 156 B20R2.2359448 COC(=O)C[C@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-8509127794 [0,2,0,0,0,0|0,0,0]=2 157 B20R2.2359448 COC(=O)C[C@H](N)C1=CC=C2C=C(C=CC2=C1)OC MCULE-9785631740 [0,2,0,0,0,0|0,0,0]=2 158 B20R2.1917212 COC(=O)[C@@H](N)CC1=CC=C2C=C(C=CC2=C1)OC MCULE-2869767860 [0,2,0,0,0,0|0,0,0]=2 159 B20R2.1917212 COC(=O)[C@H](N)CC1=CC=C2C=C(C=CC2=C1)OC MCULE-9933421037 [0,2,0,0,0,0|0,0,0]=2 160 B20R2.1917212 COC1=CC2=C(C=C1)C=C(C=C2)CN(C)C(=O)CCl MCULE-6384357934 [0,2,0,0,0,0|1,0,0]=3 161 B18R3.1384535 COC1=CC2=C(C=C1)C=C(C=C2)C3CNC3 MCULE-6401325974 [1,0,0,1,0,0|1,0,0]=3 162 B18R3.1384535 COC1=CC2=CC=C(C=C2C=C1)C3CNC3 MCULE-3917003169 [1,0,0,1,0,0|1,0,0]=3 163 B18R3.1384535 COC1=CC2=CC=C(C=C2C=C1)[C@@H]3CCN3 MCULE-3232283177 [1,0,0,1,0,0|1,0,1]=4 164 B18R3.1384535 COC1=CC2=CC=C(C=C2C=C1)[C@@H]3CCN3 MCULE-4652240486 [1,0,0,1,0,0|1,0,1]=4 165 B18R3.1384535 COC1=CC2=CC=C(C=C2C=C1)[C@H]3CCN3 MCULE-1953893303 [1,0,0,1,0,0|1,0,1]=4 166 B18R3.1384535 COC1=CC2=CC=C(C=C2C=C1)[C@H]3CCN3 MCULE-9216254973 [1,0,0,1,0,0|1,0,1]=4 167 B20R3.1551263 COC1=CC2=CC=C(C=C2C=C1)[C@@H]3CNC(=O)N3 MCULE-4155881435 [0,0,0,1,0,1|1,0,0]=3 168 B20R3.1551263 COC1=CC2=CC=C(C=C2C=C1)[C@@H]3COC(=O)N3 MCULE-4444426123 [0,0,0,1,0,1|1,0,0]=3 169 B20R3.1551263 COC1=CC2=CC=C(C=C2C=C1)[C@@H]3COC(=O)N3 MCULE-8921405621 [0,0,0,1,0,1|1,0,0]=3 170 B20R3.1551263 COC1=CC2=CC=C(C=C2C=C1)[C@H]3CNC(=O)N3 MCULE-8414790568 [0,0,0,1,0,1|1,0,0]=3 171 B20R3.1551263 COC1=CC2=CC=C(C=C2C=C1)[C@H]3COC(=O)N3 MCULE-2909334382 [0,0,0,1,0,1|1,0,0]=3 172 B20R3.1551263 COC1=CC2=CC=C(C=C2C=C1)[C@H]3COC(=O)N3 MCULE-6141453921 [0,0,0,1,0,1|1,0,0]=3 173 B20R3.2193222 COC1=CC=C2C=C3CCN(C3=NC2=C1)C(=O)C MCULE-2671131405 [0,0,0,1,0,1|1,0,0]=3 174 B20R3.2187598 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CC3CC3 MCULE-1453615852 [0,1,0,1,0,0|1,0,1]=4 175 B20R3.2187598 COC1=CC2=CC=C(C=C2C=C1)[C@@H](N)CC3CC3 MCULE-8947061662 [0,1,0,1,0,0|1,0,1]=4 176 B20R3.2187598 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CC3CC3 MCULE-2530311333 [0,1,0,1,0,0|1,0,1]=4 177 B20R3.2187598 COC1=CC2=CC=C(C=C2C=C1)[C@H](N)CC3CC3 MCULE-6451172563 [0,1,0,1,0,0|1,0,1]=4 178 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-1094026609 [1,0,0,0,1,0|2,0,0]=4 179 B16R2.2976 CC1=CC=C2C(=C1)C=CN2CCC(=O)O MCULE-4103037674 [1,0,0,0,1,0|2,0,0]=4 180 B16R2.11988 CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)Br MCULE-2430858822 [1,0,0,0,1,0|2,0,0]=4 181 B16R2.11988 CC(=O)NC1=CC=C2N=C(C=CC2=C1)C MCULE-1662619657 [1,0,0,0,1,0|2,0,0]=4 182 B16R2.11988 CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)Br MCULE-6391193969 [1,0,0,0,1,0|2,0,0]=4 183 B16R2.11988 NC(=O)CC1=CC2=CC=C(C=C2C=C1)Br MCULE-9117755495 [1,0,0,0,1,0|2,0,0]=4 184 B16R2.11988 O=C(O)CC1=CC=C2C=C(C=CC2=C1)Br MCULE-5761733694 [1,0,0,0,1,0|2,0,0]=4 185 B16R2.11988 O=C(O)CC1=CC=C2C=C(C=CC2=C1)O MCULE-7326864861 [1,0,0,0,1,0|1,0,0]=3 186 B16R2.2482 COC1=CC2=C(C=C1)C(=CO2)OC(=O)C MCULE-8030127759 [0,0,0,0,2,0|2,0,0]=4 187 B16R2.2482 COC1=CC2=C(C=C1)N(C=C2)CC(=O)O MCULE-5977101673 [0,0,0,0,2,0|2,0,0]=4 188 B16R2.2482 COC1=CC=C2C(=C1)NC=C2OC(=O)C MCULE-7357990189 [0,0,0,0,2,0|2,0,0]=4 189 B16R2.2482 COC1=CC=C2C(=CNC2=C1)CC(=O)O MCULE-8621631619 [0,0,0,0,2,0|2,0,0]=4 190 B16R2.2482 COC1=CC=C2C(=COC2=C1)CC(=O)O MCULE-6656731637 [0,0,0,0,2,0|2,0,0]=4 191 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C MCULE-3825691348 [0,0,0,0,2,0|0,0,0]=2 192 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=C2)C(=S)N MCULE-4641114221 [0,0,0,0,2,0|1,1,0]=4 193 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=C2)C(C)Cl MCULE-4816242585 [0,0,0,0,2,0|1,0,1]=4 194 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=C2)C(C)N MCULE-4752165226 [0,0,0,0,2,0|1,0,1]=4 195 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=C2)C(C)N MCULE-5180247597 [0,0,0,0,2,0|1,0,1]=4 196 B16R2.7486 COC1=CC2=C(C=C1)C=C(C=N2)C(=O)O MCULE-7967584007 [0,0,0,0,2,0|2,0,0]=4 197 B16R2.7486 COC1=CC2=C(C=C1)C=C(N=C2)C(=O)O MCULE-7937411947 [0,0,0,0,2,0|2,0,0]=4 198 B16R2.7486 COC1=CC2=C(C=C1)N=C(C=C2)C(=O)O MCULE-1464661888 [0,0,0,0,2,0|2,0,0]=4 199 B16R2.7486 COC1=CC2=C(C=N1)C=C(C=C2)C(=O)O MCULE-6731753262 [0,0,0,0,2,0|2,0,0]=4 200 B16R2.7486 COC1=CC2=CC=C(C=C2C=C1)[C@@H](C)N MCULE-7267148820 [0,0,0,0,2,0|1,0,1]=4 201 B16R2.7486 COC1=CC2=CC=C(C=C2C=C1)[C@@H](C)N MCULE-9032178656 [0,0,0,0,2,0|1,0,1]=4 202 B16R2.7486 COC1=CC2=CC=C(C=C2C=C1)[C@H](C)N MCULE-2394372178 [0,0,0,0,2,0|1,0,1]=4 203 B16R2.7486 COC1=CC2=CC=C(C=C2C=C1)[C@H](C)N MCULE-3066381038 [0,0,0,0,2,0|1,0,1]=4 204 B16R2.7486 COC1=CC2=CC=C(C=C2N=C1)C(=O)O MCULE-3979754960 [0,0,0,0,2,0|2,0,0]=4 205 B16R2.7486 COC1=CC=C2C=C(C=CC2=C1)C(=N)N MCULE-5902286498 [0,0,0,0,2,0|2,0,0]=4 206 B16R2.7486 COC1=CC=C2C=C(C=CC2=C1)C(=O)Cl MCULE-8522115712 [0,0,0,0,2,0|1,0,0]=3 207 B16R2.7486 COC1=CC=C2C=C(C=CC2=C1)C(=O)N MCULE-8623249846 [0,0,0,0,2,0|1,0,0]=3 208 B16R2.7486 COC1=CC=C2C=C(C=CC2=C1)C(=O)O MCULE-6293106254 [0,0,0,0,2,0|1,0,0]=3 209 B16R2.7486 COC1=CC=C2C=C(C=CC2=C1)C(C)O MCULE-2762832974 [0,0,0,0,2,0|0,0,2]=4 210 B16R2.7486 COC1=CC=C2C=C(C=NC2=C1)C(=O)O MCULE-4845793827 [0,0,0,0,2,0|2,0,0]=4 211 B16R2.7486 COC1=NC2=CC=C(C=C2C=C1)C(=O)O MCULE-3160439110 [0,0,0,0,2,0|2,0,0]=4