0 B16R2.179941 C=C(C)CCC1=CC=CC2=CC=CC=C12 MCULE-9602797463 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CC=C1 MCULE-8933922318 [0,0,0,0,0,0|2,0,0]=2 2 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 MCULE-6509347005 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.179941 CC(=O)CSC1=C2C=CC=CC2=NC=N1 MCULE-8648282379 [0,0,0,0,0,0|3,1,0]=4 4 B16R2.179941 CC(O)C#CC1=CC=CC2=CC=CC=C12 MCULE-8615128602 [0,0,0,0,0,0|2,0,2]=4 5 B16R2.179941 CN(C)CCC1=C2C=CC=CC2=CC=C1 MCULE-7267224706 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.179941 CN(C)CNC1=C2C=CC=CC2=CC=C1 MCULE-2965864318 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.179941 N=C(N)NCC1=C2C=CC=CC2=CC=C1 MCULE-9268146293 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.179941 N=C(N)SCC1=C2C=CC=CC2=CC=C1 MCULE-5790648587 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.179941 N=C(N)SCC1=C2C=CC=CC2=CC=C1 MCULE-8310176878 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.179941 NC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-1931911212 [0,0,0,0,0,0|2,0,0]=2 11 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=NC=N1 MCULE-6210658307 [0,0,0,0,0,0|4,0,0]=4 12 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 MCULE-6531841643 [0,0,0,0,0,0|1,0,0]=1 13 B16R2.179941 NC(=O)COC1=C2N=CC=CC2=CC=C1 MCULE-5162892552 [0,0,0,0,0,0|2,0,0]=2 14 B16R2.179941 NC(=O)CSC1=C2C=CC=CC2=CN=N1 MCULE-8353741340 [0,0,0,0,0,0|3,1,0]=4 15 B16R2.179941 NC(=O)CSC1=C2N=CC=CC2=CC=C1 MCULE-4406727033 [0,0,0,0,0,0|2,1,0]=3 16 B16R2.179941 NC(=O)CSC1=NC=CC2=CC=CC=C12 MCULE-6768111493 [0,0,0,0,0,0|2,1,0]=3 17 B16R2.179941 NC(=O)CSC1=NC=NC2=CC=CC=C12 MCULE-3133821098 [0,0,0,0,0,0|3,1,0]=4 18 B16R2.179941 NC(=O)NNC1=C2N=CC=CC2=CC=C1 MCULE-9159174616 [0,0,0,0,0,0|4,0,0]=4 19 B16R2.179941 NC(=S)NNC1=C2C=CC=CC2=CC=C1 MCULE-4765057599 [0,0,0,0,0,0|3,1,0]=4 20 B16R2.179941 O=C(Cl)/C=C/C1=CC=CC2=C1C=CC=C2 MCULE-4446900120 [0,0,0,0,0,0|2,0,1]=3 21 B16R2.179941 O=C(Cl)C=CC1=CC=CC2=C1C=CC=C2 MCULE-9789166060 [0,0,0,0,0,0|2,0,1]=3 22 B16R2.179941 O=C(Cl)CCC1=CC=CC2=CC=CC=C12 MCULE-3633070188 [0,0,0,0,0,0|2,0,0]=2 23 B16R2.179941 O=C(Cl)COC1=C2C=CC=CC2=CC=C1 MCULE-2455673531 [0,0,0,0,0,0|1,0,0]=1 24 B16R2.179941 O=C(O)/C=C/C1=C2C=CC=CC2=CC=C1 MCULE-2102991584 [0,0,0,0,0,0|1,0,1]=2 25 B16R2.179941 O=C(O)C#CC1=CC=CC2=CC=CC=C12 MCULE-3324290023 [0,0,0,0,0,0|1,0,1]=2 26 B16R2.179941 O=C(O)C=CC1=C2C=CC=CC2=CC=C1 MCULE-9343200692 [0,0,0,0,0,0|1,0,1]=2 27 B16R2.179941 O=C(O)C=CC1=C2C=CC=CC2=NC=C1 MCULE-3640092561 [0,0,0,0,0,0|2,0,1]=3 28 B16R2.179941 O=C(O)C=CC1=C2C=CN=CC2=CC=C1 MCULE-1228338669 [0,0,0,0,0,0|2,0,1]=3 29 B16R2.179941 O=C(O)C=CC1=C2N=CC=CC2=CC=C1 MCULE-9504787762 [0,0,0,0,0,0|2,0,1]=3 30 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 MCULE-6755596415 [0,0,0,0,0,0|1,0,0]=1 31 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 MCULE-4075360632 [0,0,0,0,0,0|2,0,0]=2 32 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 MCULE-1182257474 [0,0,0,0,0,0|2,0,0]=2 33 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CN=C2 MCULE-2558389451 [0,0,0,0,0,0|2,0,0]=2 34 B16R2.179941 O=C(O)CCC1=CC=CC2=C1C=CN=C2 MCULE-4917197129 [0,0,0,0,0,0|2,0,0]=2 35 B16R2.179941 O=C(O)CCC1=CCCC2=C1C=CC=C2 MCULE-3365793903 [0,0,0,0,0,0|1,0,2]=3 36 B16R2.179941 O=C(O)CCC1=NC=NC2=CC=CC=C12 MCULE-8762925874 [0,0,0,0,0,0|3,0,0]=3 37 B16R2.179941 O=C(O)CNC1=CC=CC2=C1C=CC=C2 MCULE-3493254762 [0,0,0,0,0,0|1,0,0]=1 38 B16R2.179941 O=C(O)CNC1=NC=NC2=CC=CC=C12 MCULE-3120766562 [0,0,0,0,0,0|3,0,0]=3 39 B16R2.179941 O=C(O)CNC1=[NH+]C=NC2=CC=CC=C12 MCULE-6414093657 [0,0,0,0,0,0|3,0,0]=3 40 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 MCULE-2007375815 [0,0,0,0,0,0|0,0,0]=0 41 B16R2.179941 O=C(O)COC1=C2CCCCC2=CC=C1 MCULE-1522835297 [0,0,0,0,0,0|0,0,4]=4 42 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 MCULE-1028044663 [0,0,0,0,0,0|1,0,0]=1 43 B16R2.179941 O=C(O)COC1=C2N=CC=CC2=CC=C1 MCULE-9088973100 [0,0,0,0,0,0|1,0,0]=1 44 B16R2.179941 O=C(O)COC1=CC=CC2=C1OCCO2 MCULE-5326766683 [0,0,0,0,0,0|2,0,2]=4 45 B16R2.179941 O=C(O)COC1=CC=NC2=C1C=CC=C2 MCULE-7950847031 [0,0,0,0,0,0|1,0,0]=1 46 B16R2.179941 O=C(O)COC1=NC=NC2=C1C=CC=C2 MCULE-8759024337 [0,0,0,0,0,0|2,0,0]=2 47 B16R2.179941 O=C(O)COC1=NC=NC2=CC=CC=C12 MCULE-1455020973 [0,0,0,0,0,0|2,0,0]=2 48 B16R2.179941 O=C(O)COC1CCOC2=CC=CC=C12 MCULE-7224314458 [0,0,0,0,0,0|1,0,3]=4 49 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=C1 MCULE-4972551873 [0,0,0,0,0,0|0,1,0]=1 50 B16R2.179941 O=C(O)CSC1=C2N=CC=CC2=CC=C1 MCULE-3801435583 [0,0,0,0,0,0|1,1,0]=2 51 B16R2.179941 O=C(O)CSC1=NC=CC2=CC=CC=C12 MCULE-9011967010 [0,0,0,0,0,0|1,1,0]=2 52 B16R2.179941 O=C(O)CSC1=NC=NC2=CC=CC=C12 MCULE-7493201034 [0,0,0,0,0,0|2,1,0]=3 53 B16R2.179941 O=C(O)CSC1=NN=CC2=CC=CC=C12 MCULE-9596067407 [0,0,0,0,0,0|2,1,0]=3 54 B16R2.179941 O=C([O-])COC1=CC=CC2=CC=CN=C12 MCULE-9597781018 [0,0,0,0,0,0|1,0,1]=2 55 B16R2.179941 O=C([O-])CSC1=NC=CC2=CC=CC=C12 MCULE-2302071531 [0,0,0,0,0,0|1,1,1]=3 56 B16R2.179941 O=[N+]([O-])C=CC1=C2C=CC=CC2=CC=C1 MCULE-6382277486 [0,0,0,0,0,0|2,0,2]=4 57 B16R2.179941 OB(O)C=CC1=CC=CC2=CC=CC=C12 MCULE-7192284789 [0,0,0,0,0,0|2,0,2]=4 58 B15R2.18471 BrCCCC1=C2C=CC=CC2=CC=C1 MCULE-5885030581 [1,0,0,0,0,0|2,0,1]=4 59 B15R2.18471 BrCCOC1=CC=CC2=CC=CC=C12 MCULE-3727573215 [1,0,0,0,0,0|1,0,1]=3 60 B15R2.18471 C#CCOC1=C2C=CC=CC2=CC=C1 MCULE-2535474038 [1,0,0,0,0,0|1,0,1]=3 61 B15R2.18471 C=CCCC1=CC=CC2=CC=CC=C12 MCULE-3726956076 [1,0,0,0,0,0|2,0,0]=3 62 B15R2.18471 C=CCOC1=C2C=CC=CC2=NC=N1 MCULE-8982392038 [1,0,0,0,0,0|3,0,0]=4 63 B15R2.18471 C=CCOC1=CC=CC2=CC=CC=C12 MCULE-6744687897 [1,0,0,0,0,0|1,0,0]=2 64 B15R2.18471 C=CCSC1=C2N=CC=CC2=CC=C1 MCULE-6698509640 [1,0,0,0,0,0|2,1,0]=4 65 B15R2.18471 CCCCC1=C2C=CC=CC2=CC=C1 MCULE-8903925113 [1,0,0,0,0,0|2,0,1]=4 66 B15R2.18471 CCCNC1=C2C=CC=CC2=CC=C1 MCULE-2022799303 [1,0,0,0,0,0|2,0,1]=4 67 B15R2.18471 CCCOC1=C2C=CC=CC2=CC=C1 MCULE-9517515186 [1,0,0,0,0,0|1,0,1]=3 68 B15R2.18471 CNCCC1=C2C=CC=CC2=CC=C1 MCULE-8882281750 [1,0,0,0,0,0|3,0,0]=4 69 B15R2.18471 COCOC1=CC=CC2=CC=CC=C12 MCULE-8349360510 [1,0,0,0,0,0|2,0,0]=3 70 B15R2.18471 ClCCOC1=CC=CC2=C1C=CC=C2 MCULE-6381865774 [1,0,0,0,0,0|1,0,1]=3 71 B15R2.18471 N#CCOC1=C2C=CC=CC2=CC=C1 MCULE-5999774025 [1,0,0,0,0,0|1,0,1]=3 72 B15R2.18471 NCCCC1=CC=CC2=CC=CC=C12 MCULE-3807911895 [1,0,0,0,0,0|2,0,1]=4 73 B15R2.18471 NCCNC1=C2C=CC=CC2=CC=C1 MCULE-9256344840 [1,0,0,0,0,0|2,0,1]=4 74 B15R2.18471 NCCNC1=C2C=CC=CC2=CC=C1 MCULE-9647421967 [1,0,0,0,0,0|2,0,1]=4 75 B15R2.18471 NCCOC1=C2C=CC=CC2=CC=C1 MCULE-3158512057 [1,0,0,0,0,0|1,0,1]=3 76 B15R2.18471 NCCOC1=C2C=CC=CC2=CC=C1 MCULE-7782141761 [1,0,0,0,0,0|1,0,1]=3 77 B15R2.18471 NCCOC1=C2N=CC=CC2=CC=C1 MCULE-2744271492 [1,0,0,0,0,0|2,0,1]=4 78 B15R2.18471 NCCOC1=C2N=CC=CC2=CC=C1 MCULE-5249908416 [1,0,0,0,0,0|2,0,1]=4 79 B15R2.18471 O=C=NCC1=CC=CC2=CC=CC=C12 MCULE-1513490401 [1,0,0,0,0,0|2,0,1]=4 80 B15R2.18471 O=CCCC1=CC=CC2=CC=CC=C12 MCULE-8812637451 [1,0,0,0,0,0|1,0,0]=2 81 B15R2.18471 OCC#CC1=CC=CC2=CC=CC=C12 MCULE-1771084170 [1,0,0,0,0,0|1,0,2]=4 82 B15R2.18471 OCC=CC1=CC=CC2=CC=CC=C12 MCULE-5906134469 [1,0,0,0,0,0|1,0,2]=4 83 B15R2.18471 OCCCC1=C2C=CC=CC2=CC=C1 MCULE-2248969479 [1,0,0,0,0,0|1,0,1]=3 84 B15R2.18471 OCCOC1=C2C=CC=CC2=CC=C1 MCULE-6036217890 [1,0,0,0,0,0|0,0,1]=2 85 B15R2.18471 OCCOC1=C2C=CC=CC2=NC=C1 MCULE-4624026772 [1,0,0,0,0,0|1,0,1]=3 86 B15R2.18471 SCCOC1=C2C=CC=CC2=CC=C1 MCULE-3058881877 [1,0,0,0,0,0|0,1,1]=3 87 B17R2.3462 NC(=O)CSC1=CC=NC2=CC(=CC=C12)Cl MCULE-8154157863 [0,1,0,0,0,0|2,1,0]=4 88 B17R2.3462 O=C(Cl)CSC1=CC=NC2=CC(=CC=C12)Cl MCULE-5374940551 [0,1,0,0,0,0|2,1,0]=4 89 B17R2.3462 O=C(O)CNC1=C2C=CC(=CC2=NC=N1)Cl MCULE-6113493675 [0,1,0,0,0,0|3,0,0]=4 90 B17R2.3462 O=C(O)CSC1=CC=NC2=CC(=CC=C12)Cl MCULE-8264454380 [0,1,0,0,0,0|1,1,0]=3 91 B17R2.5014 CC1=CC(=C2C=CC=CC2=N1)OCC(=O)O MCULE-2227893173 [0,1,0,0,0,0|1,0,0]=2 92 B17R2.5014 CC1=CC(=C2C=CC=CC2=N1)SCC(=O)O MCULE-4602971568 [0,1,0,0,0,0|1,1,0]=3 93 B17R2.5014 CC1=NC2=C(C=CC=C2)C(=C1)OCC(=O)N MCULE-5757715830 [0,1,0,0,0,0|2,0,0]=3 94 B17R2.5014 CC1=NC2=C(C=CC=C2)C(=C1)SCC(=O)[O-] MCULE-5560419924 [0,1,0,0,0,0|1,1,1]=4 95 B17R2.5014 O=C(O)CNC1=NC(=NC2=CC=CC=C12)Cl MCULE-4671860157 [0,1,0,0,0,0|3,0,0]=4 96 B17R2.5014 O=C(O)COC1=CC(=O)NC2=C1C=CC=C2 MCULE-2379933238 [0,1,0,0,0,0|1,0,0]=2 97 B17R2.5014 O=C(O)COC1=CC(=O)OC2=C1C=CC=C2 MCULE-7592916903 [0,1,0,0,0,0|1,0,0]=2 98 B17R2.5385 C=C(C)CCC1=C(C=CC2=CC=CC=C12)C MCULE-1789226026 [0,1,0,0,0,0|3,0,0]=4 99 B17R2.5385 O=C(O)CCC1=C(C=CC2=C1C=CC=C2)O MCULE-8772079011 [0,1,0,0,0,0|1,0,0]=2 100 B17R2.19944 CC(=O)CSC1=C2N=C(C=CC2=CC=C1)C MCULE-1331084624 [0,1,0,0,0,0|2,1,0]=4 101 B17R2.19944 CC1=CC=C2C=CC=C(C2=N1)OCC(=O)O MCULE-3648369396 [0,1,0,0,0,0|1,0,0]=2 102 B17R2.19944 CC1=CC=C2N=CN=C(C2=C1)NCC(=O)O MCULE-6677661970 [0,1,0,0,0,0|3,0,0]=4 103 B17R2.19944 CC1=CC=C2N=CN=C(C2=C1)NCC(=O)O MCULE-7244237657 [0,1,0,0,0,0|3,0,0]=4 104 B17R2.19944 O=C(O)CNC1=NC=NC2=CC=C(C=C12)Br MCULE-6281589563 [0,1,0,0,0,0|3,0,0]=4 105 B17R2.19944 O=C(O)CNC1=NC=NC2=CC=C(C=C12)Br MCULE-7319744768 [0,1,0,0,0,0|3,0,0]=4 106 B17R2.19944 O=C(O)COC1=C2NC(=O)CCC2=CC=C1 MCULE-3452938855 [0,1,0,0,0,0|1,0,2]=4 107 B17R2.19944 O=C(O)COC1=CC=CC2=C1NC(=O)CO2 MCULE-8012222678 [0,1,0,0,0,0|2,0,1]=4 108 B17R2.19944 O=C(O)COC1=CC=NC2=CC=C(C=C12)F MCULE-5560197923 [0,1,0,0,0,0|1,0,0]=2 109 B17R2.19944 O=C(O)CSC1=CC=NC2=CC=C(C=C12)Cl MCULE-9303325949 [0,1,0,0,0,0|1,1,0]=3 110 B17R2.39629 C=C(C)CCC1=CC=C(C2=C1C=CC=C2)C MCULE-9716745561 [0,1,0,0,0,0|3,0,0]=4 111 B17R2.39629 CC1=C2C=CC=CC2=[N+](C=C1)CCC(=O)O MCULE-2268809727 [0,1,0,0,0,0|2,0,0]=3 112 B17R2.39629 CC1=C2C=CC=CC2=[N+](C=C1)CCC(=O)O MCULE-8006015663 [0,1,0,0,0,0|2,0,0]=3 113 B17R2.39629 CC1=CC=C(C2=C1C=CC=C2)CCC(=O)O MCULE-3283203148 [0,1,0,0,0,0|1,0,0]=2 114 B17R2.39629 CC1=NN=C(C2=CC=CC=C12)SCC(=O)O MCULE-6920580476 [0,1,0,0,0,0|2,1,0]=4 115 B17R2.39629 O=C(O)CCC1=C2C=CC=CC2=C(C=C1)F MCULE-8590627917 [0,1,0,0,0,0|1,0,0]=2 116 B17R2.39629 O=C(O)CCC1=C2C=CC=NC2=C(C=C1)O MCULE-5642160823 [0,1,0,0,0,0|2,0,0]=3 117 B17R2.39629 O=C(O)CCC1=NNC(=O)C2=CC=CC=C12 MCULE-3427392665 [0,1,0,0,0,0|3,0,0]=4 118 B17R2.39629 O=C(O)CCN1C=CC(=O)C2=CC=CC=C12 MCULE-7767216414 [0,1,0,0,0,0|2,0,0]=3 119 B17R2.39629 O=C(O)CCN1N=CC(=O)C2=C1C=CC=C2 MCULE-3495361579 [0,1,0,0,0,0|3,0,0]=4 120 B17R2.39629 O=C(O)COC1=C2C=CC=CC2=C(C=C1)Br MCULE-7431971671 [0,1,0,0,0,0|0,0,0]=1 121 B17R2.39629 O=C(O)COC1=C2C=CC=CC2=C(C=C1)Cl MCULE-2300200893 [0,1,0,0,0,0|0,0,0]=1 122 B17R2.39629 O=C(O)COC1=C2N=CC=CC2=C(C=C1)Cl MCULE-5402545747 [0,1,0,0,0,0|1,0,0]=2 123 B17R2.39629 O=C(O)CSC1=NC=C(C2=CC=CC=C12)Cl MCULE-3022144936 [0,1,0,0,0,0|1,1,0]=3 124 B17R2.252033 O=C(O)CSC1=C2C(=CC=CC2=CC=C1)Cl MCULE-5185701554 [0,1,0,0,0,0|0,1,0]=2 125 B17R2.353364 CNC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-1961662557 [0,1,0,0,0,0|2,0,0]=3 126 B17R2.353364 CNC(=O)COC1=C2C=CC=CC2=CC=C1 MCULE-7643418552 [0,1,0,0,0,0|1,0,0]=2 127 B17R2.353364 COC(=O)/C=C\C1=C2C=CC=CC2=CC=C1 MCULE-8109683735 [0,1,0,0,0,0|1,0,1]=3 128 B17R2.353364 COC(=O)C#CC1=CC=CC2=CC=CC=C12 MCULE-3161293197 [0,1,0,0,0,0|1,0,1]=3 129 B17R2.353364 COC(=O)C=CC1=C2C=CC=CC2=CC=C1 MCULE-5813337301 [0,1,0,0,0,0|1,0,1]=3 130 B17R2.353364 COC(=O)CCC1=CC=CC2=C1C=CC=C2 MCULE-1754131025 [0,1,0,0,0,0|1,0,0]=2 131 B17R2.353364 COC(=O)CCC1=CC=CC2=C1C=CN=C2 MCULE-9383953584 [0,1,0,0,0,0|2,0,0]=3 132 B17R2.353364 COC(=O)COC1=C2N=CC=CC2=CC=C1 MCULE-9095124197 [0,1,0,0,0,0|1,0,0]=2 133 B17R2.353364 COC(=O)COC1=CC=CC2=CC=CC=C12 MCULE-2382883763 [0,1,0,0,0,0|0,0,0]=1 134 B17R2.353364 COC(=O)CSC1=CC=CC2=C1N=CC=C2 MCULE-3425774247 [0,1,0,0,0,0|1,1,0]=3 135 B17R2.353364 COC(=O)NCC1=CC=CC2=CC=CC=C12 MCULE-9778019773 [0,1,0,0,0,0|2,0,0]=3 136 B17R2.353364 N/C(=N\O)/COC1=C2C=CC=CC2=CC=C1 MCULE-2426205016 [0,1,0,0,0,0|1,0,0]=2 137 B17R2.353364 N/C(=N\O)/CSC1=C2C=CC=CC2=CC=C1 MCULE-3586384315 [0,1,0,0,0,0|1,1,0]=3 138 B17R2.353364 N/C(=N\O)/CSC1=C2C=CC=CC2=CC=C1 MCULE-9468667269 [0,1,0,0,0,0|1,1,0]=3 139 B17R2.353364 NCC(O)COC1=C2C=CC=CC2=CC=C1 MCULE-5182745170 [0,1,0,0,0,0|1,0,1]=3 140 B17R2.353364 NCC(O)COC1=C2C=CC=CC2=CC=C1 MCULE-9882054173 [0,1,0,0,0,0|1,0,1]=3 141 B17R2.353364 NC[C@H](O)COC1=CC=CC2=C1C=CC=C2 MCULE-3418205197 [0,1,0,0,0,0|1,0,1]=3 142 B17R2.353364 NNC(=O)CNC1=CC=CC2=CC=CC=C12 MCULE-5757969621 [0,1,0,0,0,0|2,0,0]=3 143 B17R2.353364 NNC(=O)COC1=C2N=CC=CC2=CC=C1 MCULE-2967088327 [0,1,0,0,0,0|2,0,0]=3 144 B17R2.353364 NNC(=O)COC1=CC=CC2=CC=CC=C12 MCULE-4080837579 [0,1,0,0,0,0|1,0,0]=2 145 B17R2.353364 NNC(=O)CSC1=C2N=CC=CC2=CC=C1 MCULE-8164041170 [0,1,0,0,0,0|2,1,0]=4 146 B17R2.353364 NNC(=O)CSC1=CC=NC2=CC=CC=C12 MCULE-6609914703 [0,1,0,0,0,0|2,1,0]=4 147 B17R2.353364 O=C(CCl)NCC1=C2C=CC=CC2=CC=C1 MCULE-8578324770 [0,1,0,0,0,0|3,0,0]=4 148 B17R2.353364 OC(CCl)COC1=C2C=CC=CC2=CC=C1 MCULE-3182293404 [0,1,0,0,0,0|1,0,1]=3 149 B17R2.353364 OCC(O)COC1=CC=CC2=CC=CC=C12 MCULE-4111891119 [0,1,0,0,0,0|0,0,2]=3 150 B17R2.520754 CC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1824482825 [0,1,0,0,0,0|1,0,0]=2 151 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O MCULE-1307398874 [0,1,0,0,0,0|2,0,0]=3 152 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O MCULE-5466494858 [0,1,0,0,0,0|2,0,0]=3 153 B17R2.520754 CC(CC1=C2C=CC=CC2=NC=C1)C(=O)O MCULE-5939849585 [0,1,0,0,0,0|2,0,0]=3 154 B17R2.520754 CC(NC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-2743350618 [0,1,0,0,0,0|1,0,0]=2 155 B17R2.520754 CC(NC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-5005264095 [0,1,0,0,0,0|3,0,0]=4 156 B17R2.520754 CC(NC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-9059979648 [0,1,0,0,0,0|3,0,0]=4 157 B17R2.520754 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)Cl MCULE-4248273774 [0,1,0,0,0,0|1,0,0]=2 158 B17R2.520754 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1240706645 [0,1,0,0,0,0|0,0,0]=1 159 B17R2.520754 CC(OC1=C2N=CC=CC2=CC=C1)C(=O)O MCULE-9449144656 [0,1,0,0,0,0|1,0,0]=2 160 B17R2.520754 CC(OC1=CC=CC2=CC=CC=C12)C(=O)N MCULE-6822634621 [0,1,0,0,0,0|1,0,0]=2 161 B17R2.520754 CC(SC1=NC=NC2=CC=CC=C12)C(=O)O MCULE-2881385608 [0,1,0,0,0,0|2,1,0]=4 162 B17R2.520754 C[C@H](NC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8611812916 [0,1,0,0,0,0|1,0,0]=2 163 B17R2.520754 NC(=O)C(=O)NC1=CC=CC2=CC=CC=C12 MCULE-1419642588 [0,1,0,0,0,0|2,0,1]=4 164 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-1682014366 [0,1,0,0,0,0|1,0,0]=2 165 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7621787279 [0,1,0,0,0,0|1,0,0]=2 166 B17R2.520754 NC(CC1=CC=CC2=CC=CC=C12)C(=O)O MCULE-4033199506 [0,1,0,0,0,0|1,0,0]=2 167 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-2185623458 [0,1,0,0,0,0|2,0,0]=3 168 B17R2.520754 NC(CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-4349632846 [0,1,0,0,0,0|2,0,0]=3 169 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4205242976 [0,1,0,0,0,0|1,0,0]=2 170 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4718361306 [0,1,0,0,0,0|1,0,0]=2 171 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-7852162590 [0,1,0,0,0,0|1,0,0]=2 172 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8754238893 [0,1,0,0,0,0|1,0,0]=2 173 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3259277930 [0,1,0,0,0,0|2,0,0]=3 174 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6271768059 [0,1,0,0,0,0|2,0,0]=3 175 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6636488216 [0,1,0,0,0,0|2,0,0]=3 176 B17R2.520754 N[C@@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-6922954844 [0,1,0,0,0,0|2,0,0]=3 177 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2667281684 [0,1,0,0,0,0|1,0,0]=2 178 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4503526156 [0,1,0,0,0,0|1,0,0]=2 179 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8782361400 [0,1,0,0,0,0|1,0,0]=2 180 B17R2.520754 N[C@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-9955614853 [0,1,0,0,0,0|1,0,0]=2 181 B17R2.520754 N[C@H](CC1=CC=NC2=CC=CC=C12)C(=O)O MCULE-3795682049 [0,1,0,0,0,0|2,0,0]=3 182 B17R2.520754 O=C(O)C(=O)NC1=C2C=CC=CC2=CC=C1 MCULE-7572946688 [0,1,0,0,0,0|1,0,1]=3 183 B17R2.533832 O=S(=O)(Cl)CCC1=CC=CC2=C1C=CC=C2 MCULE-4804797296 [0,1,0,0,0,0|2,0,1]=4 184 B17R2.712041 C=C(C)C[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-2132630739 [0,1,0,0,0,0|3,0,0]=4 185 B17R2.712041 C=C(C)C[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-7465918233 [0,1,0,0,0,0|3,0,0]=4 186 B17R2.712041 C=C(C)C[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-5883020449 [0,1,0,0,0,0|3,0,0]=4 187 B17R2.712041 C=C(C)C[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-6996921166 [0,1,0,0,0,0|3,0,0]=4 188 B17R2.712041 C=C(NC(=O)C)C1=C2C=CC=CC2=CC=C1 MCULE-5616556217 [0,1,0,0,0,0|3,0,0]=4 189 B17R2.712041 CN(CC(=O)O)C1=NC=NC2=CC=CC=C12 MCULE-3395378763 [0,1,0,0,0,0|3,0,0]=4 190 B17R2.712041 NC(CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3237281384 [0,1,0,0,0,0|1,0,0]=2 191 B17R2.712041 NC(CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-2918741223 [0,1,0,0,0,0|1,0,0]=2 192 B17R2.712041 N[C@@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-8424605918 [0,1,0,0,0,0|1,0,0]=2 193 B17R2.712041 N[C@@H](CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7981765145 [0,1,0,0,0,0|1,0,0]=2 194 B17R2.712041 N[C@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-1081777319 [0,1,0,0,0,0|1,0,0]=2 195 B17R2.712041 N[C@H](CC(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-5466395640 [0,1,0,0,0,0|1,0,0]=2 196 B17R2.712041 N[C@H](CC(=O)O)C1=CC=CC2=C1C=CC=C2 MCULE-6216975558 [0,1,0,0,0,0|1,0,0]=2 197 B17R2.712041 N[C@H](CC(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7823074257 [0,1,0,0,0,0|1,0,0]=2 198 B17R2.712041 O=C(O)CS(=O)C1=C2N=CC=CC2=CC=C1 MCULE-5802959254 [0,1,0,0,0,0|1,1,0]=3 199 B15R1.504 O=C(O)CCNCC=CC1=CC=CC=C1 MCULE-5177066965 [0,0,1,0,0,0|2,0,1]=4 200 B15R1.504 O=C(O)CCNCC=CC1=CC=CC=C1 MCULE-9569139312 [0,0,1,0,0,0|2,0,1]=4 201 B15R1.1051 C=CCOC1=C(C=CC=C1)OCC(=O)O MCULE-1370242859 [0,0,1,0,0,0|1,0,1]=3 202 B17R3.31 O=C1CCC2=C3C=CC=CC3=CC=C2O1 MCULE-5592602035 [0,0,0,1,0,0|1,0,0]=2 203 B17R3.31 O=C1CCC2=C3C=CC=NC3=CC=C2N1 MCULE-2028429129 [0,0,0,1,0,0|3,0,0]=4 204 B17R3.31 O=C1COC2=C(N1)C=NC3=CC=CC=C23 MCULE-5652424568 [0,0,0,1,0,0|2,0,0]=3 205 B17R3.31 O=C1CSC2=C(N1)C=NC3=C2C=CC=C3 MCULE-7651521276 [0,0,0,1,0,0|2,1,0]=4 206 B17R3.31 OC1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2 MCULE-2180373782 [0,0,0,1,0,0|2,0,1]=4 207 B17R3.31 OC1CNC2=C(C1)C=CC3=C2C=CC=C3 MCULE-2156133377 [0,0,0,1,0,0|2,0,1]=4 208 B17R3.1965 C1=CC(=C2C=CC=NC2=C1)OC[C@H]3CO3 MCULE-9110155114 [0,0,0,1,0,0|2,0,1]=4 209 B17R3.1965 C1=CC2=C(C=C1)C(=CC=C2)OC[C@@H]3CO3 MCULE-2437922558 [0,0,0,1,0,0|1,0,1]=3 210 B17R3.1965 C1=CC2=C(C=C1)C(=CC=C2)OC[C@H]3CO3 MCULE-3484025273 [0,0,0,1,0,0|1,0,1]=3 211 B17R3.1965 C1=CC2=CC=CC(=C2C=C1)OCC3CO3 MCULE-4824605785 [0,0,0,1,0,0|1,0,1]=3 212 B17R3.1965 C1=CN=C2C=CC=C(C2=C1)OC[C@H]3CO3 MCULE-7863537778 [0,0,0,1,0,0|2,0,1]=4 213 B17R3.3314 O=C1CC(C1)C2=C3C=CC=CC3=CC=C2 MCULE-8112130767 [0,0,0,1,0,0|2,0,0]=3 214 B17R3.5115 O=C1CCC2=CC=CC3=C2C(=CC=C3)N1 MCULE-9013619245 [0,0,0,1,0,0|2,0,0]=3 215 B17R3.5115 O=C1CNC2=C3C(=CC=C2)C=CC=C3N1 MCULE-4736400930 [0,0,0,1,0,0|2,0,0]=3 216 B17R3.477137 O=C(O)C1CC2=C3C1=CC=CC3=CC=C2 MCULE-8635888330 [0,0,0,1,0,0|1,0,0]=2 217 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [0,0,0,0,1,0|3,0,0]=4 218 B15R2.6 CC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-3315787994 [0,0,0,0,1,0|2,1,0]=4 219 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-3897886792 [0,0,0,0,1,0|3,0,0]=4 220 B15R2.6 NC(=O)CCN1C=CC2=CC=CC=C12 MCULE-8078725777 [0,0,0,0,1,0|3,0,0]=4 221 B15R2.6 NC(=O)CSC1=CNC2=C1C=CC=C2 MCULE-9969213922 [0,0,0,0,1,0|2,1,0]=4 222 B15R2.6 O=C(O)/C=C/C1=CNC2=C1C=CC=C2 MCULE-6532813939 [0,0,0,0,1,0|2,0,1]=4 223 B15R2.6 O=C(O)/C=C\C1=CNC2=CC=CC=C12 MCULE-5749603036 [0,0,0,0,1,0|2,0,1]=4 224 B15R2.6 O=C(O)C=CC1=CNC2=CC=CC=C12 MCULE-2676235699 [0,0,0,0,1,0|2,0,1]=4 225 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 MCULE-4395981703 [0,0,0,0,1,0|2,0,0]=3 226 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=N2 MCULE-3968966198 [0,0,0,0,1,0|3,0,0]=4 227 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 MCULE-9447024037 [0,0,0,0,1,0|2,0,0]=3 228 B15R2.6 O=C(O)CCC1=NC=C2N1C=CC=C2 MCULE-9041931475 [0,0,0,0,1,0|3,0,0]=4 229 B15R2.6 O=C(O)CCC1N=CC2=CC=CC=C12 MCULE-9471558672 [0,0,0,0,1,0|2,0,1]=4 230 B15R2.6 O=C(O)CCN1C=CC2=CC=CC=C12 MCULE-1354088018 [0,0,0,0,1,0|2,0,0]=3 231 B15R2.6 O=C(O)CCN1C=CC2=CC=CN=C12 MCULE-5269994729 [0,0,0,0,1,0|3,0,0]=4 232 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-3872829331 [0,0,0,0,1,0|3,0,0]=4 233 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 MCULE-8755783788 [0,0,0,0,1,0|3,0,0]=4 234 B15R2.6 O=C(O)CCN1C=[NH+]C2=CC=CC=C12 MCULE-9033437062 [0,0,0,0,1,0|3,0,0]=4 235 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 MCULE-4830644797 [0,0,0,0,1,0|3,0,0]=4 236 B15R2.6 O=C(O)CNC1=NCC2=C1C=CC=C2 MCULE-9135692160 [0,0,0,0,1,0|2,0,1]=4 237 B15R2.6 O=C(O)COC1=NNC2=C1C=CC=C2 MCULE-5988475690 [0,0,0,0,1,0|2,0,0]=3 238 B15R2.6 O=C(O)CSC1=CNC2=C1C=CC=C2 MCULE-3383554611 [0,0,0,0,1,0|1,1,0]=3 239 B15R2.19753 O=C(O)C=CC1=CC=CC2=C1NC=C2 MCULE-9070982566 [0,0,0,0,1,0|2,0,1]=4 240 B15R2.19753 O=C(O)CCC1=CC=CC2=C1C=CN2 MCULE-5461746706 [0,0,0,0,1,0|2,0,0]=3 241 B15R2.19753 O=C(O)COC1=CC=CC2=C1C=CN2 MCULE-5846564176 [0,0,0,0,1,0|1,0,0]=2 242 B15R2.19753 O=C(O)COC1=CC=CC2=C1N=S=N2 MCULE-7418106989 [0,0,0,0,1,0|3,0,0]=4 243 B15R2.68122 C=C(Br)CC1=CC=CC2=C1C=CC=C2 MCULE-3688172649 [0,0,0,0,1,0|2,0,0]=3 244 B15R2.68122 C=C(C)CC1=CC=CC2=C1C=CC=C2 MCULE-2879401230 [0,0,0,0,1,0|2,0,0]=3 245 B15R2.68122 C=C(Cl)CC1=CC=CC2=C1C=CC=C2 MCULE-3200349164 [0,0,0,0,1,0|2,0,0]=3 246 B15R2.68122 CC(=O)CC1=C2C=CC=CC2=CC=C1 MCULE-5258877483 [0,0,0,0,1,0|1,0,0]=2 247 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=CC=C1 MCULE-8959631022 [0,0,0,0,1,0|2,0,0]=3 248 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=NC=C1 MCULE-7951003580 [0,0,0,0,1,0|3,0,0]=4 249 B15R2.68122 CC(=O)NC1=CC=CC2=C1C=CC=N2 MCULE-4641052797 [0,0,0,0,1,0|3,0,0]=4 250 B15R2.68122 CC(=O)NC1=CC=CC2=C1C=CN=C2 MCULE-2529791712 [0,0,0,0,1,0|3,0,0]=4 251 B15R2.68122 CC(=O)NC1=CC=CC2=C1N=CC=C2 MCULE-3175432757 [0,0,0,0,1,0|3,0,0]=4 252 B15R2.68122 CC(=O)OC1=C2C=CC=CC2=CC=C1 MCULE-8543973076 [0,0,0,0,1,0|1,0,0]=2 253 B15R2.68122 CC(=O)OC1=C2N=CC=CC2=CC=C1 MCULE-9227184881 [0,0,0,0,1,0|2,0,0]=3 254 B15R2.68122 CC(=O)SC1=C2C=CC=CC2=CC=N1 MCULE-4296775677 [0,0,0,0,1,0|2,1,0]=4 255 B15R2.68122 CC(=S)NC1=C2C=CC=CC2=CC=C1 MCULE-4372799869 [0,0,0,0,1,0|2,1,0]=4 256 B15R2.68122 CC(O)CC1=CC=CC2=CC=CC=C12 MCULE-8421468807 [0,0,0,0,1,0|1,0,1]=3 257 B15R2.68122 CN(C)CC1=CC=CC2=CC=CC=C12 MCULE-9350001826 [0,0,0,0,1,0|3,0,0]=4 258 B15R2.68122 FC(F)OC1=C2C=CC=CC2=CC=C1 MCULE-6278421308 [0,0,0,0,1,0|2,0,1]=4 259 B15R2.68122 N=C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-1806664518 [0,0,0,0,1,0|2,0,0]=3 260 B15R2.68122 N=C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-8634347388 [0,0,0,0,1,0|2,0,0]=3 261 B15R2.68122 N=C(N)NC1=C2C=CC=CC2=CC=C1 MCULE-4865020144 [0,0,0,0,1,0|3,0,0]=4 262 B15R2.68122 N=C(N)NC1=C2C=CC=CC2=CC=C1 MCULE-5061130459 [0,0,0,0,1,0|3,0,0]=4 263 B15R2.68122 NC(=O)CC1=C2C=CC=CC2=CC=C1 MCULE-1799098717 [0,0,0,0,1,0|1,0,0]=2 264 B15R2.68122 NC(=O)C[N+]1=C2C=CC=CC2=CC=C1 MCULE-6643478783 [0,0,0,0,1,0|2,0,0]=3 265 B15R2.68122 NC(=O)C[N+]1=C2C=CC=CC2=CC=C1 MCULE-7069204350 [0,0,0,0,1,0|2,0,0]=3 266 B15R2.68122 NC(=O)NC1=CC=CC2=C1N=CC=C2 MCULE-4414314116 [0,0,0,0,1,0|3,0,0]=4 267 B15R2.68122 NC(=O)NC1=CC=CC2=CC=CC=C12 MCULE-9293414269 [0,0,0,0,1,0|2,0,0]=3 268 B15R2.68122 NC(=O)NC1=NC=CC2=CC=CC=C12 MCULE-3615821627 [0,0,0,0,1,0|3,0,0]=4 269 B15R2.68122 NC(=O)OC1=C2C=CC=CC2=CC=C1 MCULE-1320543024 [0,0,0,0,1,0|1,0,0]=2 270 B15R2.68122 NC(=S)CC1=C2C=CC=CC2=CC=C1 MCULE-8406217511 [0,0,0,0,1,0|1,1,0]=3 271 B15R2.68122 NC(=S)NC1=CC=CC2=C1C=CC=C2 MCULE-3312237822 [0,0,0,0,1,0|2,1,0]=4 272 B15R2.68122 O=C(Cl)CC1=CC=CC2=CC=CC=C12 MCULE-7893586354 [0,0,0,0,1,0|1,0,0]=2 273 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CN=C1 MCULE-1322464469 [0,0,0,0,1,0|1,0,0]=2 274 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CN=C1 MCULE-9217372115 [0,0,0,0,1,0|1,0,0]=2 275 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=NC=N1 MCULE-3394383006 [0,0,0,0,1,0|2,0,0]=3 276 B15R2.68122 O=C(O)CC1=C2C=CC=NC2=CC=C1 MCULE-6518936634 [0,0,0,0,1,0|1,0,0]=2 277 B15R2.68122 O=C(O)CC1=C2C=CN=CC2=CC=C1 MCULE-7300221289 [0,0,0,0,1,0|1,0,0]=2 278 B15R2.68122 O=C(O)CC1=C2C=CN=CC2=CC=C1 MCULE-8573987475 [0,0,0,0,1,0|1,0,0]=2 279 B15R2.68122 O=C(O)CC1=C2N=CC=CC2=CC=C1 MCULE-2042227794 [0,0,0,0,1,0|1,0,0]=2 280 B15R2.68122 O=C(O)CC1=CC=CC2=CC=CC=C12 MCULE-1244884723 [0,0,0,0,1,0|0,0,0]=1 281 B15R2.68122 O=C(O)CC1=CC=NC2=C1C=CC=C2 MCULE-3326591019 [0,0,0,0,1,0|1,0,0]=2 282 B15R2.68122 O=C(O)CC1=NC=CC2=C1C=CC=C2 MCULE-2437544672 [0,0,0,0,1,0|1,0,0]=2 283 B15R2.68122 O=C([O-])CC1=C2C=CC=CC2=CC=C1 MCULE-1636771408 [0,0,0,0,1,0|0,0,1]=2 284 B15R2.68122 O=C([O-])CC1=C2C=CC=CC2=CC=N1 MCULE-6019258067 [0,0,0,0,1,0|1,0,1]=3 285 B15R2.68122 O=C([O-])CC1=CC=CC2=C1C=CC=C2 MCULE-4942585639 [0,0,0,0,1,0|0,0,1]=2 286 B15R2.68122 O=C([O-])CC1=CC=NC2=CC=CC=C12 MCULE-1021403041 [0,0,0,0,1,0|1,0,1]=3 287 B15R2.68122 O=C([O-])CC1=NC=CC2=NC=CC=C12 MCULE-2847000735 [0,0,0,0,1,0|2,0,1]=4 288 B15R2.68122 O=C([O-])CC1=NC=CC2=NC=CC=C12 MCULE-7454239143 [0,0,0,0,1,0|2,0,1]=4 289 B17R2.291558 C=C(C)CCCC1=CC=CC2=CC=CC=C12 MCULE-7142764762 [0,0,0,0,0,1|3,0,0]=4 290 B17R2.291558 CC(=O)NN=CC1=CC=CC2=CC=CC=C12 MCULE-9134114512 [0,0,0,0,0,1|3,0,0]=4 291 B17R2.291558 CC(O)CC#CC1=CC=CC2=CC=CC=C12 MCULE-7175810261 [0,0,0,0,0,1|2,0,1]=4 292 B17R2.291558 CC(O)CC=NC1=CC=CC2=CC=CC=C12 MCULE-7031420688 [0,0,0,0,0,1|2,0,1]=4 293 B17R2.291558 CC(O)CNCC1=C2C=CC=CC2=CC=C1 MCULE-3192904676 [0,0,0,0,0,1|2,0,1]=4 294 B17R2.291558 CC(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-3339828119 [0,0,0,0,0,1|2,0,1]=4 295 B17R2.291558 N(CC1=CC=CC2=CC=CC=C12)CC(C)O MCULE-8571606957 [0,0,0,0,0,1|2,0,1]=4 296 B17R2.291558 O=C(O)CCCC1=C2C=CC=CC2=CC=C1 MCULE-8333010495 [0,0,0,0,0,1|1,0,0]=2 297 B17R2.291558 O=C(O)CCNC1=NC=NC2=CC=CC=C12 MCULE-2862944369 [0,0,0,0,0,1|3,0,0]=4 298 B17R2.291558 O=C(O)CCOC1=C2C=CC=CC2=CC=C1 MCULE-9148487789 [0,0,0,0,0,1|0,0,0]=1 299 B17R2.291558 O=C(O)CCSC1=C2C=CC=CC2=NC=N1 MCULE-5441461072 [0,0,0,0,0,1|2,1,0]=4 300 B17R2.291558 O=C(O)CCSC1=CC=CC2=C1C=CC=C2 MCULE-5693432022 [0,0,0,0,0,1|0,1,0]=2 301 B17R2.291558 O=C(O)CC[NH2+]C1=NC=NC2=CC=CC=C12 MCULE-5200901209 [0,0,0,0,0,1|3,0,0]=4 302 B17R2.291558 O=C(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-7691053249 [0,0,0,0,0,1|1,0,0]=2 303 B17R2.291558 O=C(O)CNCC1=CC=CC2=CC=CC=C12 MCULE-8631815589 [0,0,0,0,0,1|1,0,0]=2 304 B17R2.291558 O=C(O)CNCC1=NC=CC2=C1C=CC=C2 MCULE-6052705912 [0,0,0,0,0,1|2,0,0]=3 305 B17R2.291558 O=C(O)CSCC1=C2C=CC=CC2=CC=C1 MCULE-9828528035 [0,0,0,0,0,1|0,1,0]=2 306 B17R2.291558 O=N(=O)CCOC1=CC=CC2=C1C=CC=C2 MCULE-5482141172 [0,0,0,0,0,1|1,0,1]=3 307 B14R1.482 C=CCC1=CC=CC=C1CCC(=O)O MCULE-8510726916 [1,0,1,0,0,0|1,0,1]=4 308 B14R1.482 C=CCC1=CC=CC=C1OCC(=O)N MCULE-1094687785 [1,0,1,0,0,0|1,0,1]=4 309 B14R1.482 C=CCC1=CC=CC=C1OCC(=O)O MCULE-9587986229 [1,0,1,0,0,0|0,0,1]=3 310 B14R1.482 O=C(O)COC1=CC=CC=C1C=NO MCULE-6400631337 [1,0,1,0,0,0|2,0,0]=4 311 B14R2.7150 BrCCC1=CC=CC2=C1C=CC=C2 MCULE-6812937321 [2,0,0,0,0,0|1,0,1]=4 312 B14R2.7150 C#CCC1=C2C=CC=CC2=CC=C1 MCULE-8802844971 [2,0,0,0,0,0|1,0,1]=4 313 B14R2.7150 C=CCC1=C2C=CC=CC2=CN=C1 MCULE-4794385904 [2,0,0,0,0,0|2,0,0]=4 314 B14R2.7150 C=CCC1=CC=CC2=C1C=CC=C2 MCULE-3947882115 [2,0,0,0,0,0|1,0,0]=3 315 B14R2.7150 CCCC1=CC=CC2=CC=CC=C12 MCULE-5192828187 [2,0,0,0,0,0|1,0,1]=4 316 B14R2.7150 CCNC1=CC=CC2=C1C=CC=C2 MCULE-2497038481 [2,0,0,0,0,0|1,0,1]=4 317 B14R2.7150 CCNC1=CC=CC2=C1C=CC=C2 MCULE-9845278798 [2,0,0,0,0,0|1,0,1]=4 318 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 MCULE-7169494947 [2,0,0,0,0,0|0,0,1]=3 319 B14R2.7150 CCOC1=C2N=CC=CC2=CC=C1 MCULE-2916106041 [2,0,0,0,0,0|1,0,1]=4 320 B14R2.7150 CCSC1=CC=CC2=CC=CC=C12 MCULE-3968119852 [2,0,0,0,0,0|0,1,1]=4 321 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 MCULE-3593497647 [2,0,0,0,0,0|2,0,0]=4 322 B14R2.7150 CNCC1=CC=CC2=CC=CC=C12 MCULE-8083116710 [2,0,0,0,0,0|2,0,0]=4 323 B14R2.7150 CSCC1=CC=CC2=CC=CC=C12 MCULE-8161227220 [2,0,0,0,0,0|2,0,0]=4 324 B14R2.7150 ClCCC1=CC=CC2=C1C=CC=C2 MCULE-9174855136 [2,0,0,0,0,0|1,0,1]=4 325 B14R2.7150 N#CCC1=C2C=CC=CC2=CC=C1 MCULE-6881410875 [2,0,0,0,0,0|1,0,1]=4 326 B14R2.7150 NCCC1=C2C=CC=CC2=CC=C1 MCULE-2417695210 [2,0,0,0,0,0|1,0,1]=4 327 B14R2.7150 NCCC1=CC=CC2=CC=CC=C12 MCULE-1820362379 [2,0,0,0,0,0|1,0,1]=4 328 B14R2.7150 NNCC1=C2C=CC=CC2=CC=C1 MCULE-1673802481 [2,0,0,0,0,0|2,0,0]=4 329 B14R2.7150 NNCC1=C2C=CC=CC2=CC=C1 MCULE-2103344839 [2,0,0,0,0,0|2,0,0]=4 330 B14R2.7150 NNCC1=CC=CC2=CC=CC=C12 MCULE-8655251485 [2,0,0,0,0,0|2,0,0]=4 331 B14R2.7150 NOCC1=C2C=CC=CC2=CC=C1 MCULE-5765178678 [2,0,0,0,0,0|2,0,0]=4 332 B14R2.7150 NOCC1=C2C=CC=CC2=CC=C1 MCULE-8005682023 [2,0,0,0,0,0|2,0,0]=4 333 B14R2.7150 O=C=NC1=C2C=CC=CC2=CC=C1 MCULE-1170313929 [2,0,0,0,0,0|1,0,1]=4 334 B14R2.7150 O=CCC1=C2N=CC=CC2=CC=C1 MCULE-5552361374 [2,0,0,0,0,0|1,0,0]=3 335 B14R2.7150 O=CCC1=CC=CC2=C1C=CC=N2 MCULE-9861310921 [2,0,0,0,0,0|1,0,0]=3 336 B14R2.7150 O=CCC1=CC=CC2=CC=CC=C12 MCULE-1619468673 [2,0,0,0,0,0|0,0,0]=2 337 B14R2.7150 O=CCC1=CC=NC2=CC=CC=C12 MCULE-3265411857 [2,0,0,0,0,0|1,0,0]=3 338 B14R2.7150 O=CNC1=CC=CC2=CC=CC=C12 MCULE-1084960829 [2,0,0,0,0,0|1,0,0]=3 339 B14R2.7150 OCCC1=C2C=CC=CC2=CC=C1 MCULE-3909988138 [2,0,0,0,0,0|0,0,1]=3 340 B14R2.7150 OCCC1=C2C=CC=CC2=NC=C1 MCULE-9858442028 [2,0,0,0,0,0|1,0,1]=4 341 B14R2.7150 OCCC1=CC=CC2=NC=CC=C12 MCULE-7284143132 [2,0,0,0,0,0|1,0,1]=4 342 B14R2.7150 ON=CC1=CC=CC2=CC=CC=C12 MCULE-1568603713 [2,0,0,0,0,0|1,0,1]=4 343 B14R2.7150 ONCC1=C2C=CC=CC2=CC=C1 MCULE-7083316608 [2,0,0,0,0,0|1,0,0]=3 344 B14R2.7150 SCCC1=C2C=CC=CC2=CC=C1 MCULE-5222689089 [2,0,0,0,0,0|0,1,1]=4 345 B16R1.608 O=C(O)CCNC(=O)C=CC1=CC=CC=C1 MCULE-5576632337 [0,1,1,0,0,0|2,0,0]=4 346 B16R1.12300 O=C(O)COC1=CC=CC(=C1)C=C[N+](=O)[O-] MCULE-7020379011 [0,1,1,0,0,0|2,0,0]=4 347 B16R1.7619 O=C(O)C=CC1=CC=CC=C1OCC(=O)O MCULE-9988586466 [0,1,1,0,0,0|1,0,0]=3 348 B16R2.12192 BrCCOC1=CC=C(C2=CC=CC=C12)Br MCULE-4631549866 [1,1,0,0,0,0|1,0,1]=4 349 B16R2.12192 C=CCCC1=CC=C(C2=C1C=CC=C2)C MCULE-4430318610 [1,1,0,0,0,0|2,0,0]=4 350 B16R2.12192 COCOC1=C2C=CC=CC2=C(C=C1)Br MCULE-6437830099 [1,1,0,0,0,0|2,0,0]=4 351 B16R2.12202 C=CCOC1=CC(=O)NC2=CC=CC=C12 MCULE-7245511921 [1,1,0,0,0,0|2,0,0]=4 352 B16R2.12202 C=CCOC1=CC(=O)OC2=C1C=CC=C2 MCULE-5659549954 [1,1,0,0,0,0|2,0,0]=4 353 B16R2.30013 C=CCCC1=C(C=CC2=CC=CC=C12)C MCULE-9929191457 [1,1,0,0,0,0|2,0,0]=4 354 B16R2.32142 OCCNC1=C2C=C(C=CC2=CC=C1)O MCULE-6386319557 [1,1,0,0,0,0|1,0,1]=4 355 B16R2.32142 OCCNC1=C2C=C(C=CC2=CC=C1)O MCULE-9653056713 [1,1,0,0,0,0|1,0,1]=4 356 B16R2.50359 BrCCCOC1=C2C=CC=CC2=CC=C1 MCULE-9879892997 [1,1,0,0,0,0|1,0,1]=4 357 B16R2.50359 C=CCCCC1=CC=CC2=CC=CC=C12 MCULE-1965174110 [1,1,0,0,0,0|2,0,0]=4 358 B16R2.50359 CCCCOC1=C2C=CC=CC2=CC=C1 MCULE-6501546826 [1,1,0,0,0,0|1,0,1]=4 359 B16R2.50359 CNCCOC1=C2C=CC=CC2=CC=C1 MCULE-6632572129 [1,1,0,0,0,0|1,0,1]=4 360 B16R2.50359 CNCCOC1=CC=CC2=C1C=CC=C2 MCULE-1006769753 [1,1,0,0,0,0|1,0,1]=4 361 B16R2.50359 CNCCOC1=CC=CC2=C1C=CC=C2 MCULE-3590385661 [1,1,0,0,0,0|1,0,1]=4 362 B16R2.50359 N(CCO)CC1=CC=CC2=CC=CC=C12 MCULE-1556770476 [1,1,0,0,0,0|1,0,1]=4 363 B16R2.50359 NCCCOC1=C2C=CC=CC2=CC=C1 MCULE-3260091406 [1,1,0,0,0,0|1,0,1]=4 364 B16R2.50359 NCCCOC1=C2C=CC=CC2=CC=C1 MCULE-7241126328 [1,1,0,0,0,0|1,0,1]=4 365 B16R2.50359 OCCC#CC1=CC=CC2=CC=CC=C12 MCULE-7103455509 [1,1,0,0,0,0|1,0,1]=4 366 B16R2.50359 OCCCOC1=C2C=CC=CC2=CC=C1 MCULE-9833148215 [1,1,0,0,0,0|0,0,1]=3 367 B16R2.50359 OCCNCC1=CC=CC2=CC=CC=C12 MCULE-1068854356 [1,1,0,0,0,0|1,0,1]=4 368 B16R2.50359 OCCNCC1=CC=CC2=CC=CC=C12 MCULE-4068351373 [1,1,0,0,0,0|1,0,1]=4 369 B16R2.160202 C=CC[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-3409970183 [1,1,0,0,0,0|2,0,0]=4 370 B16R2.160202 C=CC[C@@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-9322274205 [1,1,0,0,0,0|2,0,0]=4 371 B16R2.160202 C=CC[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-5204816483 [1,1,0,0,0,0|2,0,0]=4 372 B16R2.160202 C=CC[C@H](N)C1=CC=CC2=C1C=CC=C2 MCULE-9358361081 [1,1,0,0,0,0|2,0,0]=4 373 B16R2.160202 CC(NC=O)C1=C2C=CC=CC2=CC=C1 MCULE-8911676197 [1,1,0,0,0,0|2,0,0]=4 374 B16R2.160202 NC(CCO)C1=CC=CC2=CC=CC=C12 MCULE-5224775345 [1,1,0,0,0,0|1,0,1]=4 375 B16R2.160202 N[C@@H](CCO)C1=C2C=CC=CC2=CC=C1 MCULE-4081828736 [1,1,0,0,0,0|1,0,1]=4 376 B16R2.160202 N[C@@H](CCO)C1=CC=CC2=C1C=CC=C2 MCULE-2802326530 [1,1,0,0,0,0|1,0,1]=4 377 B16R2.160202 N[C@H](CCO)C1=C2C=CC=CC2=CC=C1 MCULE-8408509673 [1,1,0,0,0,0|1,0,1]=4 378 B16R2.160202 N[C@H](CCO)C1=CC=CC2=C1C=CC=C2 MCULE-7871894546 [1,1,0,0,0,0|1,0,1]=4 379 B16R2.170412 C=CC(=O)OC1=CC=CC2=C1C=CC=C2 MCULE-6892473712 [1,1,0,0,0,0|1,0,1]=4 380 B16R2.12 C(N)(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-7691364516 [0,1,0,0,1,0|2,0,0]=4 381 B16R2.12 C(N)(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9390030100 [0,1,0,0,1,0|2,0,0]=4 382 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O MCULE-2892960681 [0,1,0,0,1,0|2,0,0]=4 383 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O MCULE-5926856922 [0,1,0,0,1,0|2,0,0]=4 384 B16R2.12 CC(SC1=CNC2=C1C=CC=C2)C(=O)O MCULE-1545356214 [0,1,0,0,1,0|1,1,0]=4 385 B16R2.12 C[C@H](NC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3072834173 [0,1,0,0,1,0|2,0,0]=4 386 B16R2.12 C[C@H](NC1=CSC2=CC=CC=C12)C(=O)O MCULE-4939358545 [0,1,0,0,1,0|2,0,0]=4 387 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-5675773208 [0,1,0,0,1,0|2,0,0]=4 388 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6783788936 [0,1,0,0,1,0|2,0,0]=4 389 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-1466278778 [0,1,0,0,1,0|2,0,0]=4 390 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-3721322622 [0,1,0,0,1,0|2,0,0]=4 391 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-8004234494 [0,1,0,0,1,0|2,0,0]=4 392 B16R2.12 N[C@@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-4386551750 [0,1,0,0,1,0|2,0,0]=4 393 B16R2.12 N[C@@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-9652327577 [0,1,0,0,1,0|2,0,0]=4 394 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-6468579383 [0,1,0,0,1,0|2,0,0]=4 395 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O MCULE-4102614655 [0,1,0,0,1,0|2,0,0]=4 396 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-3038020375 [0,1,0,0,1,0|2,0,0]=4 397 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O MCULE-9808999085 [0,1,0,0,1,0|2,0,0]=4 398 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O MCULE-6842813111 [0,1,0,0,1,0|2,0,0]=4 399 B16R2.12 N[C@H](CC1=CSC2=C1C=CC=C2)C(=O)O MCULE-3310371569 [0,1,0,0,1,0|2,0,0]=4 400 B16R2.12 N[C@H](CC1=CSC2=CC=CC=C12)C(=O)O MCULE-3595523397 [0,1,0,0,1,0|2,0,0]=4 401 B16R2.12 O=C(O)C(O)CC1=CNC2=C1C=CC=C2 MCULE-9202778593 [0,1,0,0,1,0|2,0,0]=4 402 B16R2.12 O=C(O)[C@@H](O)CC1=CNC2=C1C=CC=C2 MCULE-9292718284 [0,1,0,0,1,0|2,0,0]=4 403 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-6058936857 [0,1,0,0,1,0|2,0,0]=4 404 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-1656451925 [0,1,0,0,1,0|2,0,0]=4 405 B16R2.520 NC(CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-2298347249 [0,1,0,0,1,0|2,0,0]=4 406 B16R2.520 N[C@@H](CC(=O)O)C1=CNC2=C1C=CC=C2 MCULE-4436493722 [0,1,0,0,1,0|2,0,0]=4 407 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O MCULE-1094026609 [0,1,0,0,1,0|2,0,0]=4 408 B16R2.2976 CC1=CC=C2C(=C1)C=CN2CCC(=O)O MCULE-4103037674 [0,1,0,0,1,0|2,0,0]=4 409 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Br MCULE-7968399311 [0,1,0,0,1,0|2,0,0]=4 410 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)Cl MCULE-1091258850 [0,1,0,0,1,0|2,0,0]=4 411 B16R2.2976 O=C(O)CCC1=CNC2=CC(=CC=C12)F MCULE-5084506987 [0,1,0,0,1,0|2,0,0]=4 412 B16R2.2976 O=C(O)CCN1C=CC2=C1C=CC(=C2)Br MCULE-5760549327 [0,1,0,0,1,0|2,0,0]=4 413 B16R2.2976 O=C(O)CCN1C=CC2=C1C=CC(=C2)Cl MCULE-2221739728 [0,1,0,0,1,0|2,0,0]=4 414 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)SCC(=O)O MCULE-9641494982 [0,1,0,0,1,0|1,1,0]=4 415 B16R2.4003 CC1=C(C2=CC=CC=C2N1)CCC(=O)O MCULE-2157412879 [0,1,0,0,1,0|2,0,0]=4 416 B16R2.4003 CC1=CC2=CC=CC=C2N1CCC(=O)O MCULE-3165679689 [0,1,0,0,1,0|2,0,0]=4 417 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [0,1,0,0,1,0|2,0,0]=4 418 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-3024032932 [0,1,0,0,1,0|2,0,0]=4 419 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)I MCULE-5257779988 [0,1,0,0,1,0|2,0,0]=4 420 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [0,1,0,0,1,0|2,0,0]=4 421 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)Cl MCULE-6818418889 [0,1,0,0,1,0|2,0,0]=4 422 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(C=C12)F MCULE-4199273131 [0,1,0,0,1,0|2,0,0]=4 423 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Br MCULE-8839357052 [0,1,0,0,1,0|2,0,0]=4 424 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl MCULE-8962558505 [0,1,0,0,1,0|2,0,0]=4 425 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)F MCULE-6235603955 [0,1,0,0,1,0|2,0,0]=4 426 B16R2.22833 CC1=C2C=CN(C2=CC=C1)CCC(=O)O MCULE-9596357833 [0,1,0,0,1,0|2,0,0]=4 427 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O MCULE-4873321993 [0,1,0,0,1,0|2,0,0]=4 428 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)Br MCULE-3881669082 [0,1,0,0,1,0|2,0,0]=4 429 B16R2.22833 O=C(O)CCC1=CNC2=C(C=CC=C12)F MCULE-5570346888 [0,1,0,0,1,0|2,0,0]=4 430 B16R2.22833 O=C(O)CCN1C=CC2=C1C=CC=C2Cl MCULE-2417395618 [0,1,0,0,1,0|2,0,0]=4 431 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O MCULE-3911363614 [0,1,0,0,1,0|2,0,0]=4 432 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Br MCULE-4118032651 [0,1,0,0,1,0|2,0,0]=4 433 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)Cl MCULE-4256140437 [0,1,0,0,1,0|2,0,0]=4 434 B16R2.22904 O=C(O)CCC1=CNC2=CC=CC(=C12)F MCULE-7647345792 [0,1,0,0,1,0|2,0,0]=4 435 B16R2.104522 CC1=CN(C2=C1C=CC=C2)CCC(=O)O MCULE-1072974776 [0,1,0,0,1,0|2,0,0]=4 436 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-1723021666 [0,1,0,0,1,0|2,0,0]=4 437 B16R2.104522 CN1C=C(C2=C1C=CC=C2)SCC(=O)O MCULE-6156123962 [0,1,0,0,1,0|1,1,0]=4 438 B16R2.104522 CN1N=C(C2=CC=CC=C12)OCC(=O)O MCULE-9024504068 [0,1,0,0,1,0|2,0,0]=4 439 B16R2.11 CN1C=CC2=C(C=CC=C12)OCC(=O)O MCULE-2066252081 [0,1,0,0,1,0|1,0,0]=3 440 B16R2.232 CC1=CN2C=CC=C(C2=N1)OCC(=O)O MCULE-2127795109 [0,1,0,0,1,0|2,0,0]=4 441 B16R2.232 CC1=CN2C=CC=C(C2=N1)OCC(=O)O MCULE-6477997734 [0,1,0,0,1,0|2,0,0]=4 442 B16R2.33648 COC(=O)CCC1=CC=CC2=C1C=CN2 MCULE-6240243783 [0,1,0,0,1,0|2,0,0]=4 443 B16R2.33648 COC(=O)CCC1=CC=CC2=C1NC=C2 MCULE-4321350068 [0,1,0,0,1,0|2,0,0]=4 444 B16R2.33648 COC(=O)COC1=CC=CC2=C1C=CN2 MCULE-1793376015 [0,1,0,0,1,0|1,0,0]=3 445 B16R2.49441 NC(CC1=CC=CC2=C1C=CN2)C(=O)O MCULE-3187802838 [0,1,0,0,1,0|2,0,0]=4 446 B16R2.97896 CN1C=CC2=C1C(=CC=C2)CCC(=O)O MCULE-5558579369 [0,1,0,0,1,0|2,0,0]=4 447 B16R2.333 C=C(C)CC1=C(C=CC2=CC=CC=C12)C MCULE-6329241697 [0,1,0,0,1,0|2,0,0]=4 448 B16R2.333 CC(=O)NC1=C(C=CC2=C1C=CC=C2)Br MCULE-3797662805 [0,1,0,0,1,0|2,0,0]=4 449 B16R2.333 CC(=O)NC1=C(C=CC2=CC=CC=C12)C MCULE-7595426727 [0,1,0,0,1,0|2,0,0]=4 450 B16R2.333 CC(=O)OC1=C2C=CC=CC2=CC=C1C MCULE-3043639271 [0,1,0,0,1,0|1,0,0]=3 451 B16R2.333 CC1=C(C2=CC=CC=C2C=C1)CC(=O)O MCULE-6236664179 [0,1,0,0,1,0|0,0,0]=2 452 B16R2.333 O=C(O)CC1=C(C=CC2=CC=CC=C12)F MCULE-9594341579 [0,1,0,0,1,0|0,0,0]=2 453 B16R2.333 O=C(O)CC1=C2C=CC=CC2=CC=C1O MCULE-3755798304 [0,1,0,0,1,0|0,0,0]=2 454 B16R2.333 O=C(O)CN1C(=O)C=NC2=C1C=CC=C2 MCULE-3687459047 [0,1,0,0,1,0|2,0,0]=4 455 B16R2.2986 CC(=O)C[N+]1=CC=CC2=C1C=CC(=C2)O MCULE-1466496730 [0,1,0,0,1,0|2,0,0]=4 456 B16R2.2986 CC(=O)C[N+]1=CC=CC2=C1C=CC(=C2)O MCULE-8327999867 [0,1,0,0,1,0|2,0,0]=4 457 B16R2.2986 CC(=O)C[N+]1=CC=CC2=CC(=CC=C12)Cl MCULE-2081608575 [0,1,0,0,1,0|2,0,0]=4 458 B16R2.2986 CC(=O)C[N+]1=CC=CC2=CC(=CC=C12)Cl MCULE-8384632226 [0,1,0,0,1,0|2,0,0]=4 459 B16R2.2986 CC(=O)NC1=CC=CC2=C1C=CC(=C2)O MCULE-2452819192 [0,1,0,0,1,0|2,0,0]=4 460 B16R2.2986 CC(=O)NC1=CC=CC2=CC(=CC=C12)Cl MCULE-9885520425 [0,1,0,0,1,0|2,0,0]=4 461 B16R2.2986 O=C(O)CC1=C2C=CC(=CC2=CC=C1)O MCULE-2735674873 [0,1,0,0,1,0|0,0,0]=2 462 B16R2.2986 O=C(O)CC1=C2C=CC(=CC2=NC=N1)Cl MCULE-2063311320 [0,1,0,0,1,0|2,0,0]=4 463 B16R2.3995 CC(=O)NC1=CC(=CC2=CC=CC=C12)N MCULE-2722801216 [0,1,0,0,1,0|2,0,0]=4 464 B16R2.3995 CC(=O)OC1=CC(=CC2=C1C=CC=C2)O MCULE-8300340419 [0,1,0,0,1,0|1,0,0]=3 465 B16R2.3995 O=C(O)CC1=C2C=CC=CC2=CC(=C1)Cl MCULE-2383966189 [0,1,0,0,1,0|0,0,0]=2 466 B16R2.3995 O=C(O)CC1=C2C=CC=CC2=NC(=N1)Cl MCULE-6905296757 [0,1,0,0,1,0|2,0,0]=4 467 B16R2.3995 O=C(O)CC1=CC(=O)NC2=CC=CC=C12 MCULE-4146125331 [0,1,0,0,1,0|1,0,0]=3 468 B16R2.3995 O=C(O)CC1=CC(=O)OC2=CC=CC=C12 MCULE-4275715076 [0,1,0,0,1,0|1,0,0]=3 469 B16R2.12129 CC(=O)NC1=CC=CC2=CC=C(C=C12)O MCULE-3693684779 [0,1,0,0,1,0|2,0,0]=4 470 B16R2.12129 CC(=O)OC1=CC=CC2=C1NC(=O)C=C2 MCULE-3041042899 [0,1,0,0,1,0|2,0,0]=4 471 B16R2.12129 CC(=O)OC1=CC=CC2=CC=C(N=C12)C MCULE-8633445917 [0,1,0,0,1,0|2,0,0]=4 472 B16R2.24414 C=C(Br)CC1=CC=C(C2=C1C=CC=C2)F MCULE-5976118679 [0,1,0,0,1,0|2,0,0]=4 473 B16R2.24414 C=C(C)CC1=CC=C(C2=CC=CC=C12)C MCULE-3212953530 [0,1,0,0,1,0|2,0,0]=4 474 B16R2.24414 C=C(C)CC1=CC=C(C2=CC=CC=C12)F MCULE-5465648249 [0,1,0,0,1,0|2,0,0]=4 475 B16R2.24414 C=C(Cl)CC1=CC=C(C2=C1C=CC=C2)F MCULE-5740923886 [0,1,0,0,1,0|2,0,0]=4 476 B16R2.24414 CC(=O)CN1C=CC(=O)C2=CC=CC=C12 MCULE-1411702881 [0,1,0,0,1,0|2,0,0]=4 477 B16R2.24414 CC(=O)NC1=C2C=CC=CC2=C(C=C1)Br MCULE-1266508056 [0,1,0,0,1,0|2,0,0]=4 478 B16R2.24414 CC(=O)NC1=C2C=CC=CC2=C(C=C1)N MCULE-3262161873 [0,1,0,0,1,0|2,0,0]=4 479 B16R2.24414 CC(=O)NC1=CC=C(C2=C1C=CC=C2)Cl MCULE-7820233315 [0,1,0,0,1,0|2,0,0]=4 480 B16R2.24414 CC(=O)NC1=CC=C(C2=C1C=CC=C2)O MCULE-1277811509 [0,1,0,0,1,0|2,0,0]=4 481 B16R2.24414 CC(=O)OC1=C2C=CC=CC2=C(C=C1)N MCULE-6731685842 [0,1,0,0,1,0|1,0,0]=3 482 B16R2.24414 CC(O)CC1=C2C=CC=CC2=C(C=C1)F MCULE-5356440634 [0,1,0,0,1,0|1,0,1]=4 483 B16R2.24414 CC1=CC=C(C2=C1C=CC=C2)CC(=O)O MCULE-3899545249 [0,1,0,0,1,0|0,0,0]=2 484 B16R2.24414 N=C1C=CN(C2=CC=CC=C12)CC(=O)N MCULE-9077510917 [0,1,0,0,1,0|2,0,0]=4 485 B16R2.24414 NC(=O)CN1C=CC(=O)C2=C1C=CC=C2 MCULE-9685455913 [0,1,0,0,1,0|2,0,0]=4 486 B16R2.24414 NC(=O)CN1C=CC(=[NH2+])C2=CC=CC=C12 MCULE-6701836804 [0,1,0,0,1,0|2,0,0]=4 487 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)Br MCULE-3069727519 [0,1,0,0,1,0|0,0,0]=2 488 B16R2.24414 O=C(O)CC1=C2C=CC=NC2=C(C=C1)O MCULE-2202378679 [0,1,0,0,1,0|1,0,0]=3 489 B16R2.24414 O=C(O)CC1=C2N=CC=CC2=C(C=C1)Cl MCULE-5612271483 [0,1,0,0,1,0|1,0,0]=3 490 B16R2.24414 O=C(O)CC1=CC=C(C2=CC=CC=C12)F MCULE-4456424165 [0,1,0,0,1,0|0,0,0]=2 491 B16R2.24414 O=C(O)CC1=NNC(=O)C2=C1C=CC=C2 MCULE-1747279667 [0,1,0,0,1,0|2,0,0]=4 492 B16R2.24414 O=C(O)CN1C=CC(=O)C2=CC=CC=C12 MCULE-4920858317 [0,1,0,0,1,0|1,0,0]=3 493 B16R2.24414 O=C(O)CN1C=NC(=O)C2=C1C=CC=C2 MCULE-2593136580 [0,1,0,0,1,0|2,0,0]=4 494 B16R2.24414 O=C(O)CN1N=CC(=O)C2=C1C=CC=C2 MCULE-4784467977 [0,1,0,0,1,0|2,0,0]=4 495 B16R2.126882 CC(=O)C[N+]1=CC=CC2=C1C(=CC=C2)O MCULE-6530553729 [0,1,0,0,1,0|2,0,0]=4 496 B16R2.126882 CC(=O)C[N+]1=CC=CC2=C1C(=CC=C2)O MCULE-7188935420 [0,1,0,0,1,0|2,0,0]=4 497 B16R2.126882 O=C(O)CC1=C2C(=CC=CC2=NC=N1)Cl MCULE-7785774417 [0,1,0,0,1,0|2,0,0]=4 498 B16R2.126882 O=C(O)CC1=C2C(=CC=CC2=NC=N1)F MCULE-5445534614 [0,1,0,0,1,0|2,0,0]=4 499 B16R2.244415 C=C(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-2154034128 [0,1,0,0,1,0|0,0,1]=3 500 B16R2.244415 CC(=O)N(C)C1=C2C=CC=CC2=CC=C1 MCULE-7519361422 [0,1,0,0,1,0|2,0,0]=4 501 B16R2.244415 CC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-2048793198 [0,1,0,0,1,0|0,0,0]=2 502 B16R2.244415 C[C@@H](O)[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-5992137834 [0,1,0,0,1,0|1,0,1]=4 503 B16R2.244415 C[C@@H](O)[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-9460892501 [0,1,0,0,1,0|1,0,1]=4 504 B16R2.244415 C[C@H](O)[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-7519669240 [0,1,0,0,1,0|1,0,1]=4 505 B16R2.244415 C[C@H](O)[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-7970986079 [0,1,0,0,1,0|1,0,1]=4 506 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-1668976715 [0,1,0,0,1,0|0,0,0]=2 507 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3817950079 [0,1,0,0,1,0|0,0,0]=2 508 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-7290075140 [0,1,0,0,1,0|0,0,0]=2 509 B16R2.244415 NC(C(=O)O)C1=CC=CC2=CC=CC=C12 MCULE-7446621392 [0,1,0,0,1,0|0,0,0]=2 510 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-2114748931 [0,1,0,0,1,0|0,0,0]=2 511 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-4127798936 [0,1,0,0,1,0|0,0,0]=2 512 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-5110533242 [0,1,0,0,1,0|0,0,0]=2 513 B16R2.244415 N[C@@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-7484069804 [0,1,0,0,1,0|0,0,0]=2 514 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-3930483477 [0,1,0,0,1,0|0,0,0]=2 515 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-8649538702 [0,1,0,0,1,0|0,0,0]=2 516 B16R2.244415 N[C@H](C(=O)O)C1=C2C=CC=CC2=CC=C1 MCULE-9245872714 [0,1,0,0,1,0|0,0,0]=2 517 B16R2.244415 N[C@H](C(=O)O)C1=CC=CC2=C1C=CC=C2 MCULE-8520686749 [0,1,0,0,1,0|0,0,0]=2 518 B16R2.244415 O=C(O)C(=O)C1=C2C=CC=CC2=CC=C1 MCULE-5098885194 [0,1,0,0,1,0|0,0,1]=3 519 B16R2.248309 CC(C)(O)CC1=C2C=CC=CC2=CC=C1 MCULE-9693892430 [0,1,0,0,1,0|1,0,1]=4 520 B16R2.248309 CS(=O)(=O)CC1=C2C=CC=CC2=CC=C1 MCULE-4400584314 [0,1,0,0,1,0|1,0,1]=4 521 B16R2.248309 O=P(Cl)(Cl)OC1=C2C=CC=CC2=CC=C1 MCULE-5676883675 [0,1,0,0,1,0|2,0,0]=4 522 B16R2.248309 O=P(O)(O)CC1=CC=CC2=CC=CC=C12 MCULE-9511326566 [0,1,0,0,1,0|1,0,0]=3 523 B16R2.248309 O=P(O)(O)OC1=C2C=CC=CC2=CC=C1 MCULE-6243544050 [0,1,0,0,1,0|1,0,0]=3 524 B16R2.248309 O=P([O-])(O)OC1=C2C=CC=CC2=CC=C1 MCULE-8049187690 [0,1,0,0,1,0|1,0,0]=3 525 B16R2.248309 O=P([O-])(O)OC1=C2C=CC=CC2=CC=C1 MCULE-8899061748 [0,1,0,0,1,0|1,0,0]=3 526 B16R2.248309 O=P([O-])([O-])OC1=C2C=CC=CC2=CC=C1 MCULE-1831311100 [0,1,0,0,1,0|1,0,1]=4 527 B16R2.248309 O=P([O-])([O-])OC1=C2C=CC=CC2=CC=C1 MCULE-1867234208 [0,1,0,0,1,0|1,0,1]=4 528 B16R2.248309 O=S(=O)(Cl)CC1=C2C=CC=CC2=CC=C1 MCULE-5058010085 [0,1,0,0,1,0|1,0,1]=4 529 B16R2.248309 O=S(=O)(F)OC1=C2C=CC=CC2=CC=C1 MCULE-6389365815 [0,1,0,0,1,0|1,0,1]=4 530 B18R2.4028 O=C(O)CCSC1=C2C=CC(=CC2=NC=C1)Cl MCULE-5736106634 [0,1,0,0,0,1|1,1,0]=4 531 B18R2.6165 CC1=NC2=CC=CC=C2C(=C1)SCCC(=O)O MCULE-2993399507 [0,1,0,0,0,1|1,1,0]=4 532 B18R2.6165 [NH+]1=C(C=C(C2=C1C=CC=C2)SCCC(=O)O)C MCULE-8760081219 [0,1,0,0,0,1|1,1,0]=4 533 B18R2.31660 CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)O MCULE-6588919744 [0,1,0,0,0,1|2,0,0]=4 534 B18R2.62417 O=C(O)CSCC1=CC=C(C2=NC=CC=C12)O MCULE-2738241493 [0,1,0,0,0,1|1,1,0]=4 535 B18R2.741502 COC(=O)CCNC1=CC=CC2=C1C=CC=C2 MCULE-2724438941 [0,1,0,0,0,1|1,0,0]=3 536 B18R2.741502 COC(=O)NN=CC1=CC=CC2=CC=CC=C12 MCULE-2142930279 [0,1,0,0,0,1|2,0,0]=4 537 B18R2.741502 O=C(CCl)NCCC1=C2C=CC=CC2=CC=C1 MCULE-6503205006 [0,1,0,0,0,1|2,0,0]=4 538 B18R2.741502 O=C(CO)NN=CC1=C2C=CC=CC2=CC=C1 MCULE-6162677236 [0,1,0,0,0,1|2,0,0]=4 539 B18R2.2417296 CC(SCC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-2652256206 [0,1,0,0,0,1|0,1,0]=3 540 B18R2.2459307 CC(=O)OCC(=O)C1=CC=CC2=CC=CC=C12 MCULE-4045242136 [0,1,0,0,0,1|2,0,0]=4 541 B18R2.2459307 O=C(O)C=CC(=O)C1=CC=CC2=CC=CC=C12 MCULE-3529322031 [0,1,0,0,0,1|1,0,1]=4 542 B18R2.2459307 O=C(O)CCC(=O)C1=C2C=CC=CC2=CC=C1 MCULE-2693981036 [0,1,0,0,0,1|1,0,0]=3 543 B18R2.2459307 O=C(O)CNC(=O)C1=C2C=CC=CC2=CC=C1 MCULE-8527289331 [0,1,0,0,0,1|1,0,0]=3 544 B18R2.2459307 O=C(O)CNC(=O)C1=CC=NC2=CC=CC=C12 MCULE-1843184695 [0,1,0,0,0,1|2,0,0]=4 545 B18R2.2459307 O=C(O)CSC(=S)C1=CC=CC2=CC=CC=C12 MCULE-3162569255 [0,1,0,0,0,1|0,1,0]=3 546 B18R2.2880857 NC(CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3013238045 [0,1,0,0,0,1|1,0,0]=3 547 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=C1C=CC=C2 MCULE-9404785835 [0,1,0,0,0,1|1,0,0]=3 548 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-2019424542 [0,1,0,0,0,1|1,0,0]=3 549 B18R2.2880857 NC(CC(=O)O)CC1=CC=CC2=CC=CC=C12 MCULE-5606757508 [0,1,0,0,0,1|1,0,0]=3 550 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-3797651987 [0,1,0,0,0,1|1,0,0]=3 551 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-6033740850 [0,1,0,0,0,1|1,0,0]=3 552 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9124069558 [0,1,0,0,0,1|1,0,0]=3 553 B18R2.2880857 N[C@@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-9676520382 [0,1,0,0,0,1|1,0,0]=3 554 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-4660850865 [0,1,0,0,0,1|1,0,0]=3 555 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-7551483483 [0,1,0,0,0,1|1,0,0]=3 556 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8192986605 [0,1,0,0,0,1|1,0,0]=3 557 B18R2.2880857 N[C@H](CC(=O)O)CC1=C2C=CC=CC2=CC=C1 MCULE-8398868747 [0,1,0,0,0,1|1,0,0]=3 558 B18R2.4027 CC(SC1=C2C=CC(=CC2=NC=C1)Cl)C(=O)O MCULE-8585906831 [0,2,0,0,0,0|1,1,0]=4 559 B18R2.62726 O=C(O)CCN1C=CC(=O)C2=CC(=CC=C12)F MCULE-9493675656 [0,2,0,0,0,0|2,0,0]=4 560 B18R2.95290 COC(=O)CSC1=CC=NC2=C1C=CC(=C2)Cl MCULE-1567680496 [0,2,0,0,0,0|1,1,0]=4 561 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-1302490434 [0,2,0,0,0,0|2,0,0]=4 562 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-4364204936 [0,2,0,0,0,0|2,0,0]=4 563 B18R2.6164 NC(CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-6753428328 [0,2,0,0,0,0|2,0,0]=4 564 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-3638909382 [0,2,0,0,0,0|2,0,0]=4 565 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=C1C=CC=C2)C(=O)O MCULE-7636719783 [0,2,0,0,0,0|2,0,0]=4 566 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=CC=CC=C12)C(=O)O MCULE-2401720251 [0,2,0,0,0,0|2,0,0]=4 567 B18R2.6164 N[C@@H](CC1=CC(=O)NC2=CC=CC=C12)C(=O)O MCULE-9615543713 [0,2,0,0,0,0|2,0,0]=4 568 B18R2.58796 CN1C(=O)C=C(C2=C1C=CC=C2)OCC(=O)O MCULE-4032803258 [0,2,0,0,0,0|1,0,0]=3 569 B18R2.58796 NN1C(=O)C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-5045815031 [0,2,0,0,0,0|2,0,0]=4 570 B18R2.58796 NN1C(=O)C=C(C2=C1C=CC=C2)CCC(=O)O MCULE-7002766831 [0,2,0,0,0,0|2,0,0]=4 571 B18R2.95340 CC1=NC2=C(C=CC=C2)C(=C1)OCC(=O)NN MCULE-1359975940 [0,2,0,0,0,0|2,0,0]=4 572 B18R2.95340 COC(=O)CSC1=CC(=NC2=CC=CC=C12)C MCULE-2330193266 [0,2,0,0,0,0|1,1,0]=4 573 B18R2.481171 CC1=CC(=C2C=CC=C(C2=N1)C)OCC(=O)O MCULE-5107681377 [0,2,0,0,0,0|1,0,0]=3 574 B18R2.481171 CC1=CC=CC2=C1N=C(C=C2OCC(=O)N)C MCULE-1693247547 [0,2,0,0,0,0|2,0,0]=4 575 B18R2.481171 CC1=CC=CC2=C1N=C(C=C2OCC(=O)O)C MCULE-6080676833 [0,2,0,0,0,0|1,0,0]=3 576 B18R2.491080 CC1=CC2=C(C=C(N=C2C=C1)C)OCC(=O)O MCULE-1091617383 [0,2,0,0,0,0|1,0,0]=3 577 B18R2.491080 CC1=CC2=C(C=C1)N=C(C=C2OCC(=O)O)C MCULE-7578100715 [0,2,0,0,0,0|1,0,0]=3 578 B18R2.491080 CC1=CC=C2OC(=O)C=C(C2=C1)SCC(=O)O MCULE-5928621031 [0,2,0,0,0,0|1,1,0]=4 579 B18R2.491080 CC1=NC2=CC=C(C=C2C(=C1)SCC(=O)O)Br MCULE-5197434366 [0,2,0,0,0,0|1,1,0]=4 580 B18R2.491080 CC1=NC2=CC=C(C=C2C(=C1)SCC(=O)O)Cl MCULE-6755758767 [0,2,0,0,0,0|1,1,0]=4 581 B18R2.1714 COC1=C(C2=CC=CC=C2C=C1)C=CC(=O)O MCULE-1401993753 [0,2,0,0,0,0|1,0,1]=4 582 B18R2.1714 COC1=C(C2=CC=CC=C2C=C1)CCC(=O)O MCULE-4169389744 [0,2,0,0,0,0|1,0,0]=3 583 B18R2.488857 CC1=CC(=O)N(C2=CC=CC=C12)CCC(=O)O MCULE-9855910119 [0,2,0,0,0,0|2,0,0]=4 584 B18R2.488857 O=C(O)COC1=C2N=CC=CC2=C(C=C1I)Cl MCULE-6362006063 [0,2,0,0,0,0|1,0,0]=3 585 B18R2.59628 CC(OC1=CC=CC2=C1C=CNC2=O)C(=O)O MCULE-3373788888 [0,2,0,0,0,0|1,0,0]=3 586 B18R2.59656 O=C(O)CSC1=CC=C(C2=CC=CC(=C12)Cl)Br MCULE-2464536083 [0,2,0,0,0,0|0,1,0]=3 587 B18R2.62415 NC(CC(=O)O)C1=C2C=CC=CC2=C(C=C1)F MCULE-6242358649 [0,2,0,0,0,0|1,0,0]=3 588 B18R2.62415 NC(CC(=O)O)C1=C2C=CC=CC2=C(C=C1)F MCULE-8211539524 [0,2,0,0,0,0|1,0,0]=3 589 B18R2.62416 CC(OC1=C2C=CC=CC2=C(C=C1)N)C(=O)N MCULE-5720047116 [0,2,0,0,0,0|1,0,0]=3 590 B18R2.62416 NC(CC1=C2C=CC=NC2=C(C=C1)O)C(=O)O MCULE-4580415948 [0,2,0,0,0,0|2,0,0]=4 591 B18R2.62416 NC(CC1=C2C=CC=NC2=C(C=C1)O)C(=O)O MCULE-9840194589 [0,2,0,0,0,0|2,0,0]=4 592 B18R2.95331 CNC(=O)COC1=CC=C(C2=CC=CN=C12)Cl MCULE-1065015972 [0,2,0,0,0,0|2,0,0]=4 593 B18R2.95331 COC(=O)CCN1C=CC(=O)C2=CC=CC=C12 MCULE-2507881209 [0,2,0,0,0,0|2,0,0]=4 594 B18R2.95331 COC(=O)COC1=C2C=CC=CC2=C(C=C1)N MCULE-6024759812 [0,2,0,0,0,0|0,0,0]=2 595 B18R2.95331 COC(=O)COC1=C2N=CC=CC2=C(C=C1)Cl MCULE-7368949764 [0,2,0,0,0,0|1,0,0]=3 596 B18R2.95331 COC(=O)COC1=C2N=CC=CC2=C(C=C1)N MCULE-5178210933 [0,2,0,0,0,0|1,0,0]=3 597 B18R2.95331 COC(=O)COC1=CC=C(C2=CC=CC=C12)Br MCULE-8658773614 [0,2,0,0,0,0|0,0,0]=2 598 B18R2.111152 COC1=C2C=CC=CC2=C(C=C1)CCC(=O)O MCULE-4763090916 [0,2,0,0,0,0|1,0,0]=3 599 B18R2.111152 COC1=CC=C(C2=C1C=CC=C2)/C=C/C(=O)O MCULE-4776266109 [0,2,0,0,0,0|1,0,1]=4 600 B18R2.111152 COC1=CC=C(C2=C1C=CC=C2)C=CC(=O)O MCULE-1952313672 [0,2,0,0,0,0|1,0,1]=4 601 B18R2.615197 COC(=O)CC(=O)C1=CC=CC2=CC=CC=C12 MCULE-8875574301 [0,2,0,0,0,0|1,0,0]=3 602 B18R2.615197 COC(=O)CC(N)C1=C2C=CC=CC2=CC=C1 MCULE-2320203907 [0,2,0,0,0,0|1,0,0]=3 603 B18R2.615197 COC(=O)CC(N)C1=C2C=CC=CC2=CC=C1 MCULE-4499636914 [0,2,0,0,0,0|1,0,0]=3 604 B18R2.615197 COC(=O)C[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-3029936485 [0,2,0,0,0,0|1,0,0]=3 605 B18R2.615197 COC(=O)C[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-4263980245 [0,2,0,0,0,0|1,0,0]=3 606 B18R2.615197 COC(=O)C[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-6473072837 [0,2,0,0,0,0|1,0,0]=3 607 B18R2.615197 COC(=O)C[C@@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-7296309705 [0,2,0,0,0,0|1,0,0]=3 608 B18R2.615197 COC(=O)C[C@@H](N)C1=CC=NC2=C1C=CC=C2 MCULE-7738870644 [0,2,0,0,0,0|2,0,0]=4 609 B18R2.615197 COC(=O)C[C@@H](N)C1=CC=NC2=C1C=CC=C2 MCULE-9998502839 [0,2,0,0,0,0|2,0,0]=4 610 B18R2.615197 COC(=O)C[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-3450361925 [0,2,0,0,0,0|1,0,0]=3 611 B18R2.615197 COC(=O)C[C@H](N)C1=C2C=CC=CC2=CC=C1 MCULE-8283246924 [0,2,0,0,0,0|1,0,0]=3 612 B18R2.615197 COC(=O)C[C@H](N)C1=CC=NC2=C1C=CC=C2 MCULE-7646565611 [0,2,0,0,0,0|2,0,0]=4 613 B18R2.615197 COC(=O)C[C@H](N)C1=CC=NC2=C1C=CC=C2 MCULE-8643621616 [0,2,0,0,0,0|2,0,0]=4 614 B18R2.892603 CCNC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-8533373662 [0,2,0,0,0,0|2,0,0]=4 615 B18R2.892603 CCNC(=O)COC1=C2C=CC=CC2=CC=C1 MCULE-7538881377 [0,2,0,0,0,0|1,0,0]=3 616 B18R2.892603 CCOC(=O)C=NC1=CC=CC2=CC=CC=C12 MCULE-3569127099 [0,2,0,0,0,0|1,0,1]=4 617 B18R2.892603 CCOC(=O)C=NC1=CC=CC2=CC=CC=C12 MCULE-4784476188 [0,2,0,0,0,0|1,0,1]=4 618 B18R2.892603 CCOC(=O)CCC1=CC=CC2=CC=CC=C12 MCULE-9690794771 [0,2,0,0,0,0|1,0,0]=3 619 B18R2.892603 CCOC(=O)CNC1=CC=CC2=CC=CC=C12 MCULE-8976505847 [0,2,0,0,0,0|1,0,0]=3 620 B18R2.892603 CCOC(=O)COC1=CC=CC2=CC=CC=C12 MCULE-1668989901 [0,2,0,0,0,0|0,0,0]=2 621 B18R2.892603 CCOC(=O)COC1=CC=CC2=CC=CN=C12 MCULE-6718444180 [0,2,0,0,0,0|1,0,0]=3 622 B18R2.892603 CCOC(=O)COC1=NC=NC2=CC=CC=C12 MCULE-8356275249 [0,2,0,0,0,0|2,0,0]=4 623 B18R2.892603 CCOC(=O)CSC1=CC=CC2=CC=CN=C12 MCULE-6298649068 [0,2,0,0,0,0|1,1,0]=4 624 B18R2.892603 CNCC(O)COC1=CC=CC2=CC=CC=C12 MCULE-6573854832 [0,2,0,0,0,0|1,0,1]=4 625 B18R2.892603 C[NH2+]CC(O)COC1=C2C=CC=CC2=CC=C1 MCULE-8748868825 [0,2,0,0,0,0|1,0,1]=4 626 B18R2.904449 CC(NC1=CC=CC2=CC=CC=C12)C(=O)NN MCULE-1783040064 [0,2,0,0,0,0|2,0,0]=4 627 B18R2.904449 CC(OC1=C2C=CC=CC2=CC=C1)C(=O)NN MCULE-6371531015 [0,2,0,0,0,0|1,0,0]=3 628 B18R2.904449 CC(OC1=C2N=CC=CC2=CC=C1)C(=O)NN MCULE-9839606334 [0,2,0,0,0,0|2,0,0]=4 629 B18R2.904449 CC(OC1=CC=CC2=CC=CC=C12)C(=N)NO MCULE-1164795749 [0,2,0,0,0,0|1,0,0]=3 630 B18R2.904449 CC(OC1=CC=CC2=CC=CC=C12)C(=N)NO MCULE-1532844384 [0,2,0,0,0,0|1,0,0]=3 631 B18R2.904449 CNC(=O)C(C)OC1=CC=CC2=CC=CC=C12 MCULE-6325706997 [0,2,0,0,0,0|1,0,0]=3 632 B18R2.904449 COC(=O)C(Br)CC1=CC=CC2=CC=CC=C12 MCULE-9336632457 [0,2,0,0,0,0|1,0,0]=3 633 B18R2.904449 COC(=O)C(C)OC1=CC=CC2=C1C=CC=C2 MCULE-1135199257 [0,2,0,0,0,0|0,0,0]=2 634 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-5746838090 [0,2,0,0,0,0|1,0,0]=3 635 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=C1 MCULE-6917309468 [0,2,0,0,0,0|1,0,0]=3 636 B18R2.904449 COC(=O)C(N)CC1=CC=NC2=CC=CC=C12 MCULE-8054720274 [0,2,0,0,0,0|2,0,0]=4 637 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-6594519142 [0,2,0,0,0,0|1,0,0]=3 638 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-6734176014 [0,2,0,0,0,0|1,0,0]=3 639 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-7211773184 [0,2,0,0,0,0|1,0,0]=3 640 B18R2.904449 COC(=O)[C@@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-8323106792 [0,2,0,0,0,0|1,0,0]=3 641 B18R2.904449 COC(=O)[C@@H](N)CC1=CC=NC2=CC=CC=C12 MCULE-9747316982 [0,2,0,0,0,0|2,0,0]=4 642 B18R2.904449 COC(=O)[C@@H](N)CC1=CN=CC2=C1C=CC=C2 MCULE-5696964089 [0,2,0,0,0,0|2,0,0]=4 643 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-1237739592 [0,2,0,0,0,0|1,0,0]=3 644 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-4372721823 [0,2,0,0,0,0|1,0,0]=3 645 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-5885546668 [0,2,0,0,0,0|1,0,0]=3 646 B18R2.904449 COC(=O)[C@H](N)CC1=C2C=CC=CC2=CC=C1 MCULE-9036371325 [0,2,0,0,0,0|1,0,0]=3 647 B18R2.904449 COC(=O)[C@H](N)CC1=CC=NC2=CC=CC=C12 MCULE-4380379524 [0,2,0,0,0,0|2,0,0]=4 648 B18R2.904449 COC(=O)[C@H](N)CC1=CN=CC2=C1C=CC=C2 MCULE-7354008110 [0,2,0,0,0,0|2,0,0]=4 649 B18R2.913225 CCC(OC1=C2C=CC=CC2=CC=C1)C(=O)Cl MCULE-5233665261 [0,2,0,0,0,0|1,0,0]=3 650 B18R2.913225 CCC(OC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-4258500260 [0,2,0,0,0,0|0,0,0]=2 651 B18R2.913225 N#CC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-5080754985 [0,2,0,0,0,0|1,0,0]=3 652 B18R2.913225 NCC(CC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8982161220 [0,2,0,0,0,0|1,0,0]=3 653 B18R2.1372400 CC(C)(OC1=C2C=CC=CC2=CC=C1)C(=O)Cl MCULE-6231933850 [0,2,0,0,0,0|1,0,0]=3 654 B18R2.1372400 CC(C)(OC1=C2C=CC=CC2=CC=C1)C(=O)O MCULE-8196436038 [0,2,0,0,0,0|0,0,0]=2 655 B18R2.2912343 NC(C1=C2C=CC=CC2=CC=C1)C(O)C(=O)O MCULE-3158248463 [0,2,0,0,0,0|1,0,0]=3 656 B18R2.2912343 N[C@@H](C1=C2C=CC=CC2=CC=C1)[C@H](O)C(=O)O MCULE-9946915354 [0,2,0,0,0,0|1,0,0]=3 657 B18R2.2912343 N[C@H](C1=C2C=CC=CC2=CC=C1)[C@@H](O)C(=O)O MCULE-3101439299 [0,2,0,0,0,0|1,0,0]=3 658 B16R2.16183 C=C1C2=C(C=CC=C2)C(=O)N1CC(=O)O MCULE-6459001952 [0,0,1,1,0,0|2,0,0]=4 659 B16R2.83538 O=C(O)CC1=C(C2=C(C=CC=C2)C=C1)Br MCULE-6004652966 [0,0,1,1,0,0|2,0,0]=4 660 B16R2.83538 O=C(O)CN1C=CC2=CC=CC=C2C1=O MCULE-9347076532 [0,0,1,1,0,0|2,0,0]=4 661 B16R2.87 O=C(O)C1=C(C=CC=C1)C2=CC=CC=C2 MCULE-3327468892 [0,0,1,1,0,0|1,0,1]=4 662 B16R2.87 O=C(O)C1=NC=CC=C1C2=CC=CC=C2 MCULE-1878910182 [0,0,1,1,0,0|1,0,1]=4 663 B16R2.87 O=C(O)C1=NC=CC=C1C2=CC=CC=C2 MCULE-9202227344 [0,0,1,1,0,0|1,0,1]=4 664 B16R2.161 CC(=O)CN1C=CC=C1C2=CC=CC=C2 MCULE-4742424211 [0,0,1,1,0,0|2,0,0]=4 665 B16R2.161 O=C(O)CC1=C(SC=C1)C2=CC=CC=C2 MCULE-7790401250 [0,0,1,1,0,0|2,0,0]=4 666 B16R2.161 O=C(O)CN1C=CN=C1C2=CC=CC=C2 MCULE-1689315690 [0,0,1,1,0,0|2,0,0]=4 667 B16R2.161 O=C(O)CN1C=CN=C1C2=CC=CC=C2 MCULE-1980355622 [0,0,1,1,0,0|2,0,0]=4 668 B16R2.161 O=C(O)CN1C=CN=C1C2=CC=CC=C2 MCULE-9782557327 [0,0,1,1,0,0|2,0,0]=4 669 B16R2.161 O=C(O)CN1C=NC=C1C2=CC=CC=C2 MCULE-7921611893 [0,0,1,1,0,0|2,0,0]=4 670 B16R2.161 O=C(O)CN1N=CC=C1C2=CC=CC=C2 MCULE-7157528536 [0,0,1,1,0,0|2,0,0]=4 671 B16R2.477 CC(O)COC1=CC2=C(C=CC=C2)C=C1 MCULE-6920271928 [0,0,1,1,0,0|1,0,1]=4 672 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 MCULE-7673773890 [0,0,1,1,0,0|1,0,0]=3 673 B16R2.477 NC(=O)CSC1=CC2=CC=CC=C2C=C1 MCULE-4007125842 [0,0,1,1,0,0|1,1,0]=4 674 B16R2.477 NC(=S)COC1=CC=C2C=CC=CC2=C1 MCULE-3067484776 [0,0,1,1,0,0|1,1,0]=4 675 B16R2.477 O=C(Cl)COC1=CC2=C(C=CC=C2)C=C1 MCULE-2433654188 [0,0,1,1,0,0|1,0,0]=3 676 B16R2.477 O=C(O)/C=C/C1=CC2=C(C=CC=C2)C=C1 MCULE-6746048754 [0,0,1,1,0,0|1,0,1]=4 677 B16R2.477 O=C(O)C#CC1=CC2=CC=CC=C2C=C1 MCULE-1928584479 [0,0,1,1,0,0|1,0,1]=4 678 B16R2.477 O=C(O)C=CC1=CC2=CC=CC=C2C=C1 MCULE-8044067295 [0,0,1,1,0,0|1,0,1]=4 679 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 MCULE-2576748975 [0,0,1,1,0,0|1,0,0]=3 680 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 MCULE-1008565666 [0,0,1,1,0,0|2,0,0]=4 681 B16R2.477 O=C(O)CCC1=NC2=C(C=CC=C2)C=C1 MCULE-7965912465 [0,0,1,1,0,0|2,0,0]=4 682 B16R2.477 O=C(O)CNC1=CC=C2C=CC=CC2=C1 MCULE-1725837215 [0,0,1,1,0,0|1,0,0]=3 683 B16R2.477 O=C(O)COC1=CC2=C(C=CN=C2)C=C1 MCULE-1407875480 [0,0,1,1,0,0|1,0,0]=3 684 B16R2.477 O=C(O)COC1=CC2=CC=CC=C2C=C1 MCULE-2200583599 [0,0,1,1,0,0|0,0,0]=2 685 B16R2.477 O=C(O)COC1=CC2=NC=CN=C2C=C1 MCULE-1692722699 [0,0,1,1,0,0|2,0,0]=4 686 B16R2.477 O=C(O)COC1=CN=C2C=CC=CC2=N1 MCULE-1294704493 [0,0,1,1,0,0|2,0,0]=4 687 B16R2.477 O=C(O)CSC1=CC=C2C=CC=CC2=C1 MCULE-6862066159 [0,0,1,1,0,0|0,1,0]=3 688 B16R2.477 O=C(O)CSC1=NC2=CC=CC=C2C=C1 MCULE-2054471536 [0,0,1,1,0,0|1,1,0]=4 689 B16R2.477 O=C([O-])COC1=CC=C2C=CC=CC2=C1 MCULE-1163859335 [0,0,1,1,0,0|0,0,1]=3 690 B16R2.86 O=C(O)C1=CC=CC(=C1)C2=CC=CC=C2 MCULE-6359889829 [0,0,1,1,0,0|1,0,1]=4 691 B16R2.86 O=C(O)C1=NC(=CC=C1)C2=CC=CC=C2 MCULE-6016242066 [0,0,1,1,0,0|1,0,1]=4 692 B16R2.86 O=C(O)C1=NC(=CC=C1)C2=CC=CC=C2 MCULE-6598288532 [0,0,1,1,0,0|1,0,1]=4 693 B16R2.2888 CC1=C(OC(=C1)C2=CC=CC=C2)C(=O)O MCULE-3146448785 [0,0,1,1,0,0|0,0,2]=4 694 B16R2.3270 CC1=CC=CC=C1C2=CC=C(O2)C(=O)O MCULE-1885295054 [0,0,1,1,0,0|0,0,2]=4 695 B16R2.3270 NC1=C(C=CC=C1)C2=CC=C(O2)C(=O)O MCULE-3897893509 [0,0,1,1,0,0|1,0,1]=4 696 B16R2.3270 O=C(O)C1=CC=C(O1)C2=C(C=CC=C2)Br MCULE-2775394103 [0,0,1,1,0,0|1,0,1]=4 697 B16R2.3270 O=C(O)C1=CC=C(O1)C2=CC=CC=C2Cl MCULE-9861309503 [0,0,1,1,0,0|1,0,1]=4 698 B16R2.3270 O=C(O)C1=CC=C(O1)C2=CC=CC=C2F MCULE-3585956034 [0,0,1,1,0,0|1,0,1]=4 699 B16R2.3270 O=C(O)C1=CC=C(O1)C2=CC=CC=C2O MCULE-6907589465 [0,0,1,1,0,0|1,0,1]=4 700 B16R3.153 O=C1C=CC2=CC=CC3=CC=CC1=C23 MCULE-1793544636 [1,0,0,1,0,0|1,0,1]=4 701 B16R3.153 O=C1CCC2=C3C1=CC=CC3=CC=C2 MCULE-8349787771 [1,0,0,1,0,0|1,0,0]=3 702 B16R3.153 O=C1NCC2=C3C1=CC=CC3=CC=C2 MCULE-2582360458 [1,0,0,1,0,0|2,0,0]=4 703 B16R3.153 O=C1OCC2=CC=CC3=CC=CC1=C23 MCULE-4197773563 [1,0,0,1,0,0|2,0,0]=4 704 B16R3.2620 ClC1=NOC2=C3C=CC=CC3=CC=C12 MCULE-1971359345 [1,0,0,1,0,0|2,0,0]=4 705 B16R3.2620 O=C1CCC2=C3C=CC=CC3=CC=C12 MCULE-8358696535 [1,0,0,1,0,0|1,0,0]=3 706 B16R3.2620 O=C1COC2=C1C=CC3=C2C=CC=C3 MCULE-8050494215 [1,0,0,1,0,0|0,0,0]=2 707 B16R3.2620 O=C1NOC2=C3C=CC=CC3=CC=C12 MCULE-8279711190 [1,0,0,1,0,0|1,0,0]=3 708 B16R3.335 CC1=CC2=C(C1)C3=C(C=CC=C3)C=C2 MCULE-3405569184 [0,0,0,1,1,0|2,0,0]=4 709 B16R3.335 CC1=NC2=C(O1)C=CC3=C2C=CC=C3 MCULE-5138527442 [0,0,0,1,1,0|2,0,0]=4 710 B16R3.335 CC1=NC2=CC=C3C=CC=CC3=C2O1 MCULE-3620700686 [0,0,0,1,1,0|2,0,0]=4 711 B16R3.335 O=C1CC2=C(O1)C3=C(C=CC=C3)C=C2 MCULE-4027347130 [0,0,0,1,1,0|1,0,0]=3 712 B16R3.335 O=C1CC2=C(O1)C=CC3=C2C=CC=C3 MCULE-2984876278 [0,0,0,1,1,0|0,0,0]=2 713 B16R3.335 O=C1NC2=C(O1)C3=CC=CC=C3N=C2 MCULE-3083658977 [0,0,0,1,1,0|2,0,0]=4 714 B16R3.335 O=C1NC2=C(O1)C3=CC=CC=C3N=C2 MCULE-4212871870 [0,0,0,1,1,0|2,0,0]=4 715 B16R3.335 OC1=NC2=C(O1)C=CC3=C2C=CC=C3 MCULE-3738812642 [0,0,0,1,1,0|1,0,1]=4 716 B16R3.11697 O=S1(=O)OC2=CC=CC3=CC=CC1=C23 MCULE-1630833240 [0,0,0,1,1,0|1,0,1]=4 717 B16R3.27088 CP1OC2=CC=CC3=C2C(=CC=C3)O1 MCULE-7246646568 [0,0,0,1,1,0|2,0,0]=4 718 B16R3.27088 ClP1OC2=CC=CC3=C2C(=CC=C3)O1 MCULE-1121815753 [0,0,0,1,1,0|2,0,0]=4 719 B18R3.2910 O=C1CC=C(O1)C2=C3C=CC=CC3=CC=C2 MCULE-7963712497 [0,0,0,1,0,1|1,0,0]=3 720 B18R3.2910 O=C1NC[C@@H](N1)C2=CC=CC3=C2C=CC=C3 MCULE-9419061092 [0,0,0,1,0,1|2,0,0]=4 721 B18R3.2910 O=C1NC[C@H](N1)C2=CC=CC3=C2C=CC=C3 MCULE-3182374961 [0,0,0,1,0,1|2,0,0]=4 722 B18R3.2910 O=C1N[C@@H](CO1)C2=CC=CC3=C2C=CC=C3 MCULE-3515612021 [0,0,0,1,0,1|2,0,0]=4 723 B18R3.2910 O=C1N[C@@H](CO1)C2=CC=CC3=C2C=CC=C3 MCULE-9946275240 [0,0,0,1,0,1|2,0,0]=4 724 B18R3.2910 O=C1N[C@H](CO1)C2=CC=CC3=C2C=CC=C3 MCULE-3240271141 [0,0,0,1,0,1|2,0,0]=4 725 B18R3.2910 O=C1N[C@H](CO1)C2=CC=CC3=C2C=CC=C3 MCULE-8354020970 [0,0,0,1,0,1|2,0,0]=4 726 B18R3.7353 O=C(O)C1CC1C2=C3C=CC=CC3=CC=C2 MCULE-7053036690 [0,0,0,1,0,1|1,0,0]=3 727 B18R3.7353 O=C(O)C1CC1C2=C3C=CC=CC3=NC=C2 MCULE-8088552648 [0,0,0,1,0,1|2,0,0]=4 728 B18R3.7353 O=C(O)[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 MCULE-9604194619 [0,0,0,1,0,1|1,0,0]=3 729 B18R3.7353 O=C(O)[C@H]1C[C@@H]1C2=C3C=CC=CC3=CC=C2 MCULE-6045987686 [0,0,0,1,0,1|1,0,0]=3 730 B18R3.88265 O=C1CCSC2=CC=CC3=CC=CC(=C23)N1 MCULE-3336969285 [0,0,0,1,0,1|1,1,0]=4 731 B18R3.115974 CC(=O)OC1CC2=CC=CC3=C2C1=CC=C3 MCULE-3625342590 [0,0,0,1,0,1|2,0,0]=4 732 B18R3.115974 O=C(O)CC1CC2=CC=CC3=CC=CC1=C23 MCULE-6019834743 [0,0,0,1,0,1|1,0,0]=3 733 B18R3.32868 O=C1COC2=CC=C3C=CC=CC3=C2CN1 MCULE-1324980317 [0,1,0,1,0,0|2,0,0]=4 734 B18R3.117881 O=C(O)C1=CC2=C(N1)C3=CC=CC=C3C=C2 MCULE-1784910823 [0,1,0,1,0,0|1,0,1]=4 735 B18R3.117881 O=C(O)C1=CC2=C(O1)C=CC3=CC=CC=C23 MCULE-8440739199 [0,1,0,1,0,0|1,0,1]=4 736 B18R3.117881 O=C(O)C1=CC2=C3C=CC=CC3=CC=C2N1 MCULE-8725630028 [0,1,0,1,0,0|1,0,1]=4 737 B18R3.117881 O=C(O)C1=CC2=CC=C3C=CC=CC3=C2S1 MCULE-3102098981 [0,1,0,1,0,0|0,1,1]=4 738 B18R3.117881 O=C(O)C1CC2=C(O1)C=CC3=C2C=CC=C3 MCULE-8715736033 [0,1,0,1,0,0|1,0,0]=3 739 B18R3.6310 O=C1OC2=CC=C3C=CC=CC3=C2C=C1S MCULE-8028727614 [0,1,0,1,0,0|1,0,1]=4 740 B18R3.58330 O=C1C=C(C2=C(O1)C=CC3=CC=CC=C23)O MCULE-4019718595 [0,1,0,1,0,0|1,0,1]=4 741 B14R1.422 O=C(O)CCS/C=C/C1=CC=CC=C1 MCULE-9158275268 [0,0,1,0,1,0|1,0,1]=4 742 B14R1.422 O=C(O)CCSC=CC1=CC=CC=C1 MCULE-3190918133 [0,0,1,0,1,0|1,0,1]=4 743 B14R1.422 O=C(O)CNCC=CC1=CC=CC=C1 MCULE-2348036420 [0,0,1,0,1,0|1,0,1]=4 744 B14R1.422 O=C(O)CNCC=CC1=CC=CC=C1 MCULE-7721479692 [0,0,1,0,1,0|1,0,1]=4 745 B14R1.778 C=CCOC1=CC=CC(=C1)CC(=O)O MCULE-9485528324 [0,0,1,0,1,0|1,0,1]=4 746 B14R1.786 C=CCOC1=CC=CC=C1CC(=O)O MCULE-7166880416 [0,0,1,0,1,0|1,0,1]=4 747 B14R2.3 O=CCCC1=CNC2=CC=CC=C12 MCULE-6631491514 [1,0,0,0,1,0|2,0,0]=4 748 B14R2.892 OCCOC1=CC=CC2=C1C=CN2 MCULE-2094475817 [1,0,0,0,1,0|1,0,1]=4 749 B14R2.2 CC(=O)CC1=CNC2=CC=CC=C12 MCULE-4629595835 [0,0,0,0,2,0|2,0,0]=4 750 B14R2.2 CC(=O)CC1=COC2=C1C=CC=C2 MCULE-3973293992 [0,0,0,0,2,0|2,0,0]=4 751 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 MCULE-7756909848 [0,0,0,0,2,0|2,0,0]=4 752 B14R2.2 CC(=O)OC1=COC2=CC=CC=C12 MCULE-4744302330 [0,0,0,0,2,0|2,0,0]=4 753 B14R2.2 CC(=O)OC1=CSC2=CC=CC=C12 MCULE-3834495045 [0,0,0,0,2,0|2,0,0]=4 754 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 MCULE-8683047927 [0,0,0,0,2,0|2,0,0]=4 755 B14R2.2 NC(=O)CC1=COC2=CC=CC=C12 MCULE-3382342505 [0,0,0,0,2,0|2,0,0]=4 756 B14R2.2 NC(=O)CN1C=CC2=C1C=CC=C2 MCULE-8299376429 [0,0,0,0,2,0|2,0,0]=4 757 B14R2.2 O=C(Cl)CC1=CNC2=CC=CC=C12 MCULE-6562481749 [0,0,0,0,2,0|2,0,0]=4 758 B14R2.2 O=C(O)CC1=C2C=CC=CC2=CO1 MCULE-4741629356 [0,0,0,0,2,0|1,0,0]=3 759 B14R2.2 O=C(O)CC1=C2C=CC=CN2C=N1 MCULE-1957366338 [0,0,0,0,2,0|2,0,0]=4 760 B14R2.2 O=C(O)CC1=C2C=CC=CN2N=C1 MCULE-4064520120 [0,0,0,0,2,0|2,0,0]=4 761 B14R2.2 O=C(O)CC1=C2C=CNC=C2N=C1 MCULE-8161143287 [0,0,0,0,2,0|2,0,0]=4 762 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=C2 MCULE-5015122117 [0,0,0,0,2,0|2,0,0]=4 763 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=C2 MCULE-7817520804 [0,0,0,0,2,0|2,0,0]=4 764 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 MCULE-9266736782 [0,0,0,0,2,0|1,0,0]=3 765 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 MCULE-3393546300 [0,0,0,0,2,0|2,0,0]=4 766 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1011345996 [0,0,0,0,2,0|2,0,0]=4 767 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 MCULE-1460737867 [0,0,0,0,2,0|2,0,0]=4 768 B14R2.2 O=C(O)CC1=CNC2=CC=CN=C12 MCULE-7199890870 [0,0,0,0,2,0|2,0,0]=4 769 B14R2.2 O=C(O)CC1=CNC2=NC=CC=C12 MCULE-3834471692 [0,0,0,0,2,0|2,0,0]=4 770 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 MCULE-6197784001 [0,0,0,0,2,0|1,0,0]=3 771 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 MCULE-5976245234 [0,0,0,0,2,0|1,0,0]=3 772 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C12 MCULE-8082948728 [0,0,0,0,2,0|2,0,0]=4 773 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 MCULE-4494939468 [0,0,0,0,2,0|2,0,0]=4 774 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 MCULE-4666776096 [0,0,0,0,2,0|2,0,0]=4 775 B14R2.2 O=C(O)CN1C=CC2=C1N=CC=C2 MCULE-8241373108 [0,0,0,0,2,0|2,0,0]=4 776 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C12 MCULE-3243128001 [0,0,0,0,2,0|1,0,0]=3 777 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C12 MCULE-5269416736 [0,0,0,0,2,0|2,0,0]=4 778 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C12 MCULE-6499795191 [0,0,0,0,2,0|2,0,0]=4 779 B14R2.2 O=C(O)CN1N=CC2=CC=CC=C12 MCULE-7817622881 [0,0,0,0,2,0|2,0,0]=4 780 B14R2.2 O=C(O)C[N+]1=CSC2=C1C=CC=C2 MCULE-4561417538 [0,0,0,0,2,0|2,0,0]=4 781 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-3608225852 [0,0,0,0,2,0|1,0,1]=4 782 B14R2.2 O=C([O-])CC1=CNC2=C1C=CC=C2 MCULE-7228643156 [0,0,0,0,2,0|1,0,1]=4 783 B14R2.9440 CC(=O)OC1=C2C=COC2=CC=C1 MCULE-6562753888 [0,0,0,0,2,0|2,0,0]=4 784 B14R2.9440 CC(=O)OC1=C2NC=CC2=CC=C1 MCULE-4014270069 [0,0,0,0,2,0|2,0,0]=4 785 B14R2.9440 CC(=O)OC1=CC=CC2=C1C=CN2 MCULE-4602329904 [0,0,0,0,2,0|2,0,0]=4 786 B14R2.9440 O=C(O)CC1=C2C=CNC2=CC=C1 MCULE-3105728941 [0,0,0,0,2,0|1,0,0]=3 787 B14R2.9440 O=C(O)CC1=C2C=CSC2=CC=C1 MCULE-6723190325 [0,0,0,0,2,0|1,0,0]=3 788 B14R2.9440 O=C(O)CC1=C2N=CSC2=CC=C1 MCULE-9775161152 [0,0,0,0,2,0|2,0,0]=4 789 B14R2.9440 O=C(O)CC1=C2SC=NC2=CC=C1 MCULE-1152498096 [0,0,0,0,2,0|2,0,0]=4 790 B14R2.9440 O=C(O)CC1=CC=CC2=C1NC=C2 MCULE-8841130576 [0,0,0,0,2,0|1,0,0]=3 791 B14R2.9440 O=C(O)CC1=CC=CC2=NC=CN12 MCULE-8317320116 [0,0,0,0,2,0|2,0,0]=4 792 B14R2.9440 O=C(O)CC1=CC=CC2=NNC=C12 MCULE-1488809463 [0,0,0,0,2,0|2,0,0]=4 793 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 MCULE-2562929937 [0,0,0,0,2,0|1,0,0]=3 794 B14R2.31359 CC(=O)C1=C2C=CC=NC2=CC=C1 MCULE-7582373706 [0,0,0,0,2,0|2,0,0]=4 795 B14R2.31359 CC(=O)C1=C2N=CC=CC2=CC=C1 MCULE-2451267165 [0,0,0,0,2,0|2,0,0]=4 796 B14R2.31359 CC(=O)C1=CC=CC2=C1C=CN=C2 MCULE-7307324222 [0,0,0,0,2,0|2,0,0]=4 797 B14R2.31359 CC(=O)C1=CC=CC2=C1C=NC=C2 MCULE-6573438434 [0,0,0,0,2,0|2,0,0]=4 798 B14R2.31359 CC(=O)C1=CC=NC2=CC=CC=C12 MCULE-2577502524 [0,0,0,0,2,0|2,0,0]=4 799 B14R2.31359 CC(=O)C1=CN=CC2=C1C=CC=C2 MCULE-1954083133 [0,0,0,0,2,0|2,0,0]=4 800 B14R2.31359 CC(=O)C1=NC=CC2=C1C=CC=C2 MCULE-5814450211 [0,0,0,0,2,0|2,0,0]=4 801 B14R2.31359 CC(O)C1=C2C=CC=CC2=CC=C1 MCULE-6101586954 [0,0,0,0,2,0|1,0,1]=4 802 B14R2.31359 CC(O)C1=CC=CC2=C1C=CC=C2 MCULE-6131303296 [0,0,0,0,2,0|1,0,1]=4 803 B14R2.31359 C[C@@H](O)C1=C2C=CC=CC2=CC=C1 MCULE-9640231741 [0,0,0,0,2,0|1,0,1]=4 804 B14R2.31359 C[C@@H](O)C1=CC=CC2=C1C=CC=C2 MCULE-3141435275 [0,0,0,0,2,0|1,0,1]=4 805 B14R2.31359 C[C@H](O)C1=C2C=CC=CC2=CC=C1 MCULE-1659425585 [0,0,0,0,2,0|1,0,1]=4 806 B14R2.31359 C[C@H](O)C1=C2C=CC=CC2=CC=C1 MCULE-1846910712 [0,0,0,0,2,0|1,0,1]=4 807 B14R2.31359 N=C(N)C1=C2C=CC=CC2=CC=C1 MCULE-1279782698 [0,0,0,0,2,0|2,0,0]=4 808 B14R2.31359 N=C(N)C1=C2C=CC=CC2=CC=C1 MCULE-6818316576 [0,0,0,0,2,0|2,0,0]=4 809 B14R2.31359 NC(=O)C1=C2C=CN=CC2=CC=C1 MCULE-3334177719 [0,0,0,0,2,0|2,0,0]=4 810 B14R2.31359 NC(=O)C1=C2N=CC=CC2=CC=C1 MCULE-7978956907 [0,0,0,0,2,0|2,0,0]=4 811 B14R2.31359 NC(=O)C1=CC=CC2=C1C=CC=C2 MCULE-5769562616 [0,0,0,0,2,0|1,0,0]=3 812 B14R2.31359 NC(=O)C1=CC=CC2=C1C=NC=C2 MCULE-9203839471 [0,0,0,0,2,0|2,0,0]=4 813 B14R2.31359 NC(=O)C1=CC=NC2=CC=CC=C12 MCULE-9133730215 [0,0,0,0,2,0|2,0,0]=4 814 B14R2.31359 NC(=O)C1=CN=CC2=C1C=CC=C2 MCULE-4966505167 [0,0,0,0,2,0|2,0,0]=4 815 B14R2.31359 NC(=O)C1=NC=CC2=C1C=CC=C2 MCULE-9148233056 [0,0,0,0,2,0|2,0,0]=4 816 B14R2.31359 NC(=S)C1=C2C=CC=CC2=CC=C1 MCULE-5148192496 [0,0,0,0,2,0|1,1,0]=4 817 B14R2.31359 NS(=O)C1=C2C=CC=CC2=CC=C1 MCULE-8000855121 [0,0,0,0,2,0|2,0,0]=4 818 B14R2.31359 O=C(Cl)C1=C2N=CC=CC2=CC=C1 MCULE-3813561876 [0,0,0,0,2,0|2,0,0]=4 819 B14R2.31359 O=C(Cl)C1=CC=CC2=C1C=CC=C2 MCULE-5489703612 [0,0,0,0,2,0|1,0,0]=3 820 B14R2.31359 O=C(Cl)C1=CC=NC2=CC=CC=C12 MCULE-2858374296 [0,0,0,0,2,0|2,0,0]=4 821 B14R2.31359 O=C(Cl)C1=NC=CC2=C1C=CC=C2 MCULE-3740919790 [0,0,0,0,2,0|2,0,0]=4 822 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=N1 MCULE-5996203010 [0,0,0,0,2,0|1,0,0]=3 823 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CN=C1 MCULE-1048887844 [0,0,0,0,2,0|1,0,0]=3 824 B14R2.31359 O=C(O)C1=C2C=CC=CC2=NC=C1 MCULE-6858855789 [0,0,0,0,2,0|1,0,0]=3 825 B14R2.31359 O=C(O)C1=C2C=CC=CC2=NC=C1 MCULE-9079714470 [0,0,0,0,2,0|1,0,0]=3 826 B14R2.31359 O=C(O)C1=C2C=CC=CC2=NC=N1 MCULE-8060530096 [0,0,0,0,2,0|2,0,0]=4 827 B14R2.31359 O=C(O)C1=C2C=CC=NC2=CC=C1 MCULE-8729010802 [0,0,0,0,2,0|1,0,0]=3 828 B14R2.31359 O=C(O)C1=C2C=CN=CC2=CC=C1 MCULE-9513292067 [0,0,0,0,2,0|1,0,0]=3 829 B14R2.31359 O=C(O)C1=C2C=NC=CC2=CC=C1 MCULE-4813839176 [0,0,0,0,2,0|1,0,0]=3 830 B14R2.31359 O=C(O)C1=C2C=NC=CC2=NC=C1 MCULE-1072395658 [0,0,0,0,2,0|2,0,0]=4 831 B14R2.31359 O=C(O)C1=C2C=NC=CC2=NC=C1 MCULE-8521483991 [0,0,0,0,2,0|2,0,0]=4 832 B14R2.31359 O=C(O)C1=C2N=CC=CC2=CC=N1 MCULE-9874168079 [0,0,0,0,2,0|2,0,0]=4 833 B14R2.31359 O=C(O)C1=C2N=CC=CC2=NC=C1 MCULE-5068707913 [0,0,0,0,2,0|2,0,0]=4 834 B14R2.31359 O=C(O)C1=C2N=CC=NC2=CC=C1 MCULE-8277543293 [0,0,0,0,2,0|2,0,0]=4 835 B14R2.31359 O=C(O)C1=CC=CC2=C1C=CC=C2 MCULE-5212855510 [0,0,0,0,2,0|0,0,0]=2 836 B14R2.31359 O=C(O)C1=CC=CC2=C1C=NN=C2 MCULE-6174514291 [0,0,0,0,2,0|2,0,0]=4 837 B14R2.31359 O=C(O)C1=CC=CC2=CC=CN=C12 MCULE-3427768764 [0,0,0,0,2,0|1,0,0]=3 838 B14R2.31359 O=C(O)C1=CC=CC2=CN=CN=C12 MCULE-9597753012 [0,0,0,0,2,0|2,0,0]=4 839 B14R2.31359 O=C(O)C1=CC=CC2=NC=NC=C12 MCULE-3859918357 [0,0,0,0,2,0|2,0,0]=4 840 B14R2.31359 O=C(O)C1=CC=NC2=CN=CC=C12 MCULE-9253829899 [0,0,0,0,2,0|2,0,0]=4 841 B14R2.31359 O=C(O)C1=CC=NC2=NC=CC=C12 MCULE-1368539026 [0,0,0,0,2,0|2,0,0]=4 842 B14R2.31359 O=C(O)C1=CCCC2=CC=CC=C12 MCULE-3482707514 [0,0,0,0,2,0|0,0,2]=4 843 B14R2.31359 O=C(O)C1=CN=CC2=C1C=CN=C2 MCULE-7977021504 [0,0,0,0,2,0|2,0,0]=4 844 B14R2.31359 O=C(O)C1=CN=CC2=CC=CN=C12 MCULE-7101191592 [0,0,0,0,2,0|2,0,0]=4 845 B14R2.31359 O=C(O)C1=CN=CC2=NC=CC=C12 MCULE-2819042800 [0,0,0,0,2,0|2,0,0]=4 846 B14R2.31359 O=C(O)C1=CN=NC2=C1C=CC=C2 MCULE-2191840174 [0,0,0,0,2,0|2,0,0]=4 847 B14R2.31359 O=C(O)C1=NC=CC2=C1C=CN=C2 MCULE-4585849595 [0,0,0,0,2,0|2,0,0]=4 848 B14R2.31359 O=C(O)C1=NC=CC2=C1C=NC=C2 MCULE-3796240903 [0,0,0,0,2,0|2,0,0]=4 849 B14R2.31359 O=C(O)C1=NC=CC2=NC=CC=C12 MCULE-1156971077 [0,0,0,0,2,0|2,0,0]=4 850 B14R2.31359 O=C(O)C1=NN=CC2=C1C=CC=C2 MCULE-4659419073 [0,0,0,0,2,0|2,0,0]=4 851 B14R2.31359 O=N(=O)C1=C2C=CC=CC2=CC=C1 MCULE-5592798733 [0,0,0,0,2,0|1,0,1]=4 852 B14R2.31359 O=S(O)C1=C2C=CC=CC2=CC=C1 MCULE-6241389743 [0,0,0,0,2,0|1,0,0]=3 853 B14R2.31359 O=S([O-])C1=C2C=CC=CC2=CC=C1 MCULE-7922822828 [0,0,0,0,2,0|1,0,1]=4 854 B14R2.31359 OB(O)C1=C2C=CC=CC2=CC=C1 MCULE-7655520288 [0,0,0,0,2,0|1,0,1]=4 855 B18R2.556536 CC(=O)NCCNC1=C2C=CC=CC2=CC=C1 MCULE-1188974648 [0,0,0,0,0,2|2,0,0]=4 856 B18R2.556536 CC(=O)NCCOC1=C2C=CC=CC2=CC=C1 MCULE-9322464364 [0,0,0,0,0,2|1,0,0]=3 857 B18R2.556536 CC(=O)NCCOC1=C2N=CC=CC2=CC=C1 MCULE-1093437576 [0,0,0,0,0,2|2,0,0]=4 858 B18R2.556536 CC(=O)NCCOC1=CC=CC2=CC=CN=C12 MCULE-7897201846 [0,0,0,0,0,2|2,0,0]=4 859 B18R2.556536 O=C(O)CCCOC1=C2C=CC=CC2=CC=C1 MCULE-6873059720 [0,0,0,0,0,2|0,0,0]=2 860 B18R2.556536 O=C(O)CCCOC1=C2N=CC=CC2=CC=C1 MCULE-4797069550 [0,0,0,0,0,2|1,0,0]=3 861 B18R2.556536 O=C(O)CCSCC1=C2C=CC=CC2=CC=C1 MCULE-6595227630 [0,0,0,0,0,2|0,1,0]=3