0 B16R3.2754 NC1=C2C=CC=CC2=NC3=C1CCC3 MCULE-6238908830 [0,0,0,0,0,0|0,0,4]=4 1 B16R3.2754 NC1=C2C=CC=CC2=NC3=C1CCC3 MCULE-8587963734 [0,0,0,0,0,0|0,0,4]=4 2 B16R3.2754 NC1=C2CCCC2=NC3=C1CCCC3 MCULE-2974902026 [0,0,0,0,0,0|0,0,0]=0 3 B16R3.2754 NC1=C2CCCCC2=CC3=C1CCC3 MCULE-6223963703 [0,0,0,0,0,0|1,0,0]=1 4 B16R3.2754 NC1=C2CCCCC2=NC3=C1C=CS3 MCULE-7023809066 [0,0,0,0,0,0|1,0,2]=3 5 B16R3.2754 NC1=C2CCCCC2=NC3=C1CCC3 MCULE-4687534286 [0,0,0,0,0,0|0,0,0]=0 6 B16R3.2754 NC1=C2CCOC2=NC3=C1CCCC3 MCULE-7532400229 [0,0,0,0,0,0|1,0,0]=1 7 B17R3.4462 CN1CCCC2=C(C3=C(CCC3)N=C12)N MCULE-5753785969 [0,1,0,0,0,0|1,0,0]=2 8 B17R3.4462 CN1CCCC2=C1N=C3CCCC3=C2[NH3+] MCULE-4998482566 [0,1,0,0,0,0|1,0,1]=3 9 B15R2.886 CC1=C2CCCCC2=NC(=N1)CCN MCULE-6146989975 [0,0,1,0,0,0|3,0,0]=4 10 B15R2.886 CC1=NC(=NC2=C1CCCC2)CCN MCULE-6894898949 [0,0,1,0,0,0|3,0,0]=4 11 B15R2.886 CCCC1=NC2=C(CCCC2)C(=O)N1 MCULE-7606169135 [0,0,1,0,0,0|2,0,0]=3 12 B15R2.886 CCSC1=NC2=C(CCCC2)C(=O)N1 MCULE-8080285489 [0,0,1,0,0,0|3,0,0]=4 13 B15R2.1507 CCCSC1=NC2=C(CCC2)C(=O)N1 MCULE-6516546203 [0,0,1,0,0,0|3,0,0]=4 14 B15R3.3669 BrC1=C2CCCC2=CC3=C1CCC3 MCULE-4213898615 [0,0,0,0,1,0|2,0,0]=3 15 B15R3.3669 NC1=C2CCCC2=CC3=C1CCC3 MCULE-3347680417 [0,0,0,0,1,0|1,0,0]=2 16 B15R3.3669 NC1=C2CCCC2=NC3=C1CCC3 MCULE-1225794700 [0,0,0,0,1,0|0,0,0]=1 17 B15R3.3669 NC1=C2CCCC2=NC3=C1CCC3 MCULE-3374943441 [0,0,0,0,1,0|0,0,0]=1 18 B15R3.3669 OC1=C2CCCC2=CC3=C1CCC3 MCULE-3826053636 [0,0,0,0,1,0|2,0,0]=3 19 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCC3 MCULE-3628803328 [0,0,0,0,0,1|0,0,3]=4 20 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCC3 MCULE-4824739637 [0,0,0,0,0,1|0,0,3]=4 21 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCC3 MCULE-6688871242 [0,0,0,0,0,1|0,0,3]=4 22 B17R3.35227 NC1=C2CCCCC2=NC3=C1CCCC3 MCULE-4276411891 [0,0,0,0,0,1|0,0,0]=1 23 B17R3.35227 NC1=C2CCCCC2=NC3=C1CCCC3 MCULE-6066629719 [0,0,0,0,0,1|0,0,0]=1 24 B17R3.35227 O=C1C2=C(CCCC2)N=C3N1CCCN3 MCULE-8388143438 [0,0,0,0,0,1|2,0,0]=3 25 B17R3.35227 O=C1C2=C(CCCC2)OC3=C1CCCC3 MCULE-6884397792 [0,0,0,0,0,1|2,0,0]=3 26 B17R3.35227 O=C1C2=C(CCNC2)N=C3N1CCCC3 MCULE-6743233730 [0,0,0,0,0,1|2,0,0]=3 27 B17R3.298885 NC1=C2CCCCCC2=NC3=C1CCC3 MCULE-3099676397 [0,0,0,0,0,1|0,0,0]=1 28 B14R2.1128 COC1=C(C=C2CCCCC2=C1)C MCULE-6594000855 [1,0,1,0,0,0|2,0,0]=4 29 B14R2.1128 COC1=C(C=C2NCCCC2=N1)C MCULE-1268580949 [1,0,1,0,0,0|2,0,0]=4 30 B14R2.1128 COC1=NC2=C(C=C1Br)CCCC2 MCULE-8688344401 [1,0,1,0,0,0|2,0,0]=4 31 B14R2.1128 COC1=NC2=C(C=C1Cl)CCCC2 MCULE-2326805693 [1,0,1,0,0,0|2,0,0]=4 32 B14R2.1128 NCC1=C(N=C2CCCCC2=C1)O MCULE-7174066021 [1,0,1,0,0,0|2,0,0]=4 33 B14R2.1128 NCC1=NC2=C(C=C1Br)CCCC2 MCULE-4236794718 [1,0,1,0,0,0|2,0,0]=4 34 B14R2.1128 NCC1=NC2=C(C=C1Br)CCCC2 MCULE-7952124973 [1,0,1,0,0,0|2,0,0]=4 35 B14R2.1128 NCC1=NC2=C(C=C1Cl)CCCC2 MCULE-4711339375 [1,0,1,0,0,0|2,0,0]=4 36 B14R2.1128 NCC1=NC2=C(C=C1Cl)CCCC2 MCULE-8026352742 [1,0,1,0,0,0|2,0,0]=4 37 B14R2.8188 CC1=C(C(=C2CCCNC2=N1)C)C MCULE-7944781830 [1,0,1,0,0,0|2,0,0]=4 38 B14R2.8188 CC1=C(C(=C2NCCCC2=N1)C)C MCULE-5548241942 [1,0,1,0,0,0|2,0,0]=4 39 B14R2.112 CCOC1=CC=C2CNCCC2=N1 MCULE-3290256383 [1,0,1,0,0,0|2,0,0]=4 40 B14R2.112 CCOC1=CC=C2CNCCC2=N1 MCULE-8677423355 [1,0,1,0,0,0|2,0,0]=4 41 B14R2.112 NCCC1=NC2=C(C=C1)CCCN2 MCULE-3776525083 [1,0,1,0,0,0|2,0,0]=4 42 B14R2.112 NCCC1=NC2=C(C=C1)CCCN2 MCULE-6281638526 [1,0,1,0,0,0|2,0,0]=4 43 B14R2.112 OCCC1=NC2=C(C=C1)CCCN2 MCULE-8087228918 [1,0,1,0,0,0|2,0,0]=4 44 B16R2.5844 CC1=C(C(=O)N2CCCCC2=N1)CCCl MCULE-1413320271 [0,1,1,0,0,0|2,0,0]=4 45 B16R2.5844 CC1=C(C(=O)N2CCCCC2=N1)CCCl MCULE-5136019412 [0,1,1,0,0,0|2,0,0]=4 46 B16R2.9957 CCC1=C(N=C2C(CCCN2C1=O)O)C MCULE-1278105683 [0,1,1,0,0,0|2,0,0]=4 47 B16R2.9957 CCC1=C(N=C2[C@H](CCCN2C1=O)O)C MCULE-5079069730 [0,1,1,0,0,0|2,0,0]=4 48 B16R2.1054 CCCSC1=NC2=C(CCCC2)C(=O)N1 MCULE-7519497391 [0,1,1,0,0,0|2,0,0]=4 49 B16R2.6365 CCCCSC1=NC2=C(CCC2)C(=O)N1 MCULE-6349170542 [0,1,1,0,0,0|2,0,0]=4 50 B16R3.2617 CN1CCC2=C(C3=C(CCC3)N=C12)N MCULE-7830543014 [0,1,0,0,1,0|1,0,0]=3 51 B16R3.2617 NC1=C2CCC(=O)C2=CC3=C1CCC3 MCULE-8758840878 [0,1,0,0,1,0|1,0,1]=4 52 B16R3.2617 NC1=C2CCC(C2=CC3=C1CCC3)N MCULE-8733661614 [0,1,0,0,1,0|1,0,0]=3 53 B16R3.2623 CC1CCC2=CC3=C(CCC3)C(=C12)N MCULE-4136533318 [0,1,0,0,1,0|1,0,0]=3 54 B16R3.2623 NC1=C2C(=O)CCC2=CC3=C1CCC3 MCULE-1578941579 [0,1,0,0,1,0|1,0,1]=4 55 B16R3.29993 CC1CC2=CC3=C(CCC3)C(=C2C1)N MCULE-6715939954 [0,1,0,0,1,0|1,0,0]=3 56 B16R3.140930 CC1=C2CCCC2=C(C3=C1CCC3)N MCULE-7926834849 [0,1,0,0,1,0|1,0,0]=3 57 B16R3.140930 NC1=C2CCCC2=C(C3=C1CCC3)Br MCULE-6071100622 [0,1,0,0,1,0|1,0,0]=3 58 B16R3.140930 NC1=C2CCCC2=C(C3=C1CCC3)Cl MCULE-9903832621 [0,1,0,0,1,0|1,0,0]=3 59 B16R3.140930 NC1=C2CCCC2=C(C3=C1CCC3)F MCULE-7543066795 [0,1,0,0,1,0|1,0,0]=3 60 B16R3.140930 NC1=C2CCCC2=C(C3=C1CCC3)I MCULE-2126963414 [0,1,0,0,1,0|1,0,0]=3 61 B18R3.5896 CC1CCCC2=C1OC3=C(C2=O)CCCC3 MCULE-8752919723 [0,1,0,0,0,1|2,0,0]=4 62 B18R3.5896 CN1CCCC2=C1N=C3CCCCC3=C2N MCULE-4460315060 [0,1,0,0,0,1|0,0,0]=2 63 B18R3.5896 CN1CCCC2=C1N=C3CCCCC3=C2N MCULE-4558102159 [0,1,0,0,0,1|0,0,0]=2 64 B18R3.6822 CN1CCCCC2=C1N=C3CCCC3=C2N MCULE-2431197791 [0,1,0,0,0,1|0,0,0]=2 65 B18R3.6822 CN1CCCCC2=C1N=C3CCCC3=C2N MCULE-9250189482 [0,1,0,0,0,1|0,0,0]=2 66 B18R3.220724 CCN1C2=C(CCCC2)C(=N)C3=C1CCC3 MCULE-6894275297 [0,2,0,0,0,0|0,0,2]=4 67 B18R3.220724 CCN1C2=C(CCCC2)C(=[NH2+])C3=C1CCC3 MCULE-7493332796 [0,2,0,0,0,0|0,0,2]=4 68 B16R3.13490 NC1=CC2=C(CCC2)C3=C1CCCC3 MCULE-8064139732 [0,0,1,1,0,0|1,0,0]=3 69 B16R3.31922 OC1=NC(=NC2=C1CCCC2)C3CC3 MCULE-8649414207 [0,0,1,1,0,0|2,0,0]=4 70 B16R3.9 C1=C2CCCCC2=C3CCCCC3=C1 MCULE-6655548926 [0,0,1,1,0,0|2,0,0]=4 71 B14R3.3022 C1=C2CCCC2=CC3=C1CCC3 MCULE-9990819623 [1,0,0,0,1,0|1,0,0]=3 72 B16R3.1720 C1=C2CCCCC2=CC3=C1CCCC3 MCULE-6297359654 [1,0,0,0,0,1|1,0,0]=3 73 B16R3.1720 C1=C2CCCCC2=NC3=C1CCCC3 MCULE-7651018894 [1,0,0,0,0,1|0,0,0]=2 74 B16R3.1720 C1=C2CCNCC2=CC3=C1CCCC3 MCULE-1861467650 [1,0,0,0,0,1|1,0,0]=3 75 B16R3.1720 C1=C2CCNCC2=CC3=C1CCCC3 MCULE-8582283346 [1,0,0,0,0,1|1,0,0]=3 76 B16R3.1720 C1CCC2=NC3=C(CCCC3)N=C2C1 MCULE-9181382754 [1,0,0,0,0,1|1,0,0]=3