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101 SMILES Strings for 3C-like protease

Compound NameSMILES String
BDBM31040 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
BDBM32798 CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
BDBM32834 COc1ccc(cc1)C(=O)n1c(SC)nc2cc3OCCOc3cc12
BDBM32909 Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
BDBM37254 Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc23)s1
BDBM40867 Oc1ccc(O)n1-c1cc(Cl)ccc1OC(=O)c1ccco1 |(13.56,1.55,;12.1,2.03,;11.62,3.49,;10.08,3.49,;9.61,2.03,;8.14,1.55,;10.85,1.13,;10.85,-.41,;12.19,-1.18,;12.19,-2.72,;13.52,-3.49,;10.85,-3.49,;9.52,-2.72,;9.52,-1.18,;8.18,-.41,;6.85,-1.18,;6.85,-2.72,;5.52,-.41,;5.36,1.12,;3.85,1.44,;3.08,.1,;4.11,-1.04,)|
BDBM40314 Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
BDBM47911 COc1ccc(cc1)C1N(NC(C1=O)c1c[nH]c2ccccc12)C(=O)CCl
BDBM47912 CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
BDBM47914 Cc1ccc(cc1NC(=S)NC(=O)c1ccc(COc2ccccc2)cc1)C(O)=O
BDBM47915 C[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)c1cccc(Br)c1)c1ccc(Cl)cc1)C(=O)N(C1CCCCC1)C3=O
BDBM47916 CCc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
BDBM47917 Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM47918 CC1CCc2c(O)n(c(O)c2C1)-c1cc(Cl)ccc1OC(=O)c1ccco1 |(3.08,4.07,;4.41,3.3,;4.41,1.76,;5.75,.99,;7.08,1.76,;8.54,1.3,;9.02,-.17,;9.44,2.53,;8.54,3.77,;9.02,5.24,;7.08,3.3,;5.75,4.07,;10.98,2.53,;11.75,3.87,;13.29,3.87,;14.06,5.2,;14.06,2.53,;13.29,1.2,;11.75,1.2,;10.98,-.13,;11.75,-1.47,;13.29,-1.47,;10.98,-2.8,;11.6,-4.21,;10.46,-5.24,;9.13,-4.47,;9.45,-2.96,)|
BDBM47919 CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
BDBM47920 CC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1csnn1
BDBM47921 CC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
BDBM47922 COc1cccc(c1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
BDBM47923 COc1ccc(cc1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
BDBM47924 Cc1ccc(cc1)C(=O)c1n(CCC(N)=O)[n+]([O-])c2ccccc12
BDBM47925 NC(=O)CCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2[n+]1[O-]
BDBM47926 NC(=O)CCn1c(C(=O)c2ccc(Cl)cc2)c2ccccc2[n+]1[O-]
BDBM47927 Cc1ccc(cc1)C(=O)c1n(CCC(N)=O)[n+]([O-])c2cc(ccc12)C(F)(F)F
BDBM47928 Fc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O |w:14.15|
BDBM47929 NC(=O)CCn1c(C(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2[n+]1[O-]
BDBM47843 CC(=O)c1cc([nH]c1N1CCCC1)-c1ccccc1
BDBM47844 Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc12
BDBM47849 Cc1sc(NC(=O)CCl)c(C(=O)c2ccccc2)c1C
BDBM47859 Clc1ccc(cc1)C(=O)Cn1nnc2ccccc12
BDBM47862 Brc1ccc(cc1)C(=O)Cn1nnc2ccccc12
BDBM47866 O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1
BDBM47868 COc1cccc(C=NNC(=S)Nc2cccnc2)c1 |w:8.8|
BDBM47870 Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)[N+]([O-])=O
BDBM47896 CCCCOc1ccc(cc1)C(=O)Oc1cccnc1
BDBM47902 O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
BDBM47905 Cc1ccc(o1)C1=NN(C(C1)c1ccco1)C(=O)CCl |t:7|
BDBM47910 Clc1ccc(CC(=O)Nc2cccnc2)cc1Cl
BDBM47913 [O-][N+](=O)c1nonc1NC(=O)CSc1ccccn1
BDBM47842 Cc1ccc(cc1)C(=O)Oc1ccc2n(C)cnc2c1
BDBM47864 Cc1cccc2C(=O)C(=O)N(CCOc3ccccc3)c12
BDBM47865 O=C(COC(=O)c1cccnc1)N1c2ccccc2Sc2ccccc12
BDBM47867 [H]C12CC([H])(C(C=NNC(=S)Nc3cccnc3)=CC1)C2(C)C |w:7.7,c:18,THB:6:5:20:2|
BDBM47869 Cc1cc(NC(=O)COn2nnc3ccc(cc23)S(C)(=O)=O)ccc1Br
BDBM47871 FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12
BDBM47872 Cc1cccc(N2CCN(CC2)C(=O)c2cc(=O)[nH]c3ccccc23)c1C
BDBM47873 CC(=O)n1cc(N(C(=O)CCl)c2ccc(cc2)[N+]([O-])=O)c2ccccc12
BDBM47874 COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12
BDBM47875 CC(C)C12CN(CC(CN(C1)C(=O)c1ccccc1[N+]([O-])=O)(C(C)C)C2=O)C(=O)c1ccccc1[N+]([O-])=O
BDBM47876 O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
BDBM47546 OC(=O)c1c(NC(=O)\C=C\c2cccs2)scc1-c1ccccc1
BDBM47837 O=C(Cn1nnc2ccccc12)N(C(C(=O)NCc1ccco1)c1ccco1)c1ccc2CCCc2c1
BDBM47877 OC(=O)c1ccc2ncsc2c1
BDBM47878 Fc1cccc(Cl)c1\C=C\C(=O)Nc1cccnc1
BDBM47838 Clc1ccc(cc1)C(=O)Oc1cccnc1
BDBM47839 CCc1cccc(CC)c1N(COC)C(=O)Cn1nnc2ccccc12
BDBM47840 CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OCC(=O)Nc1cc(C)on1
BDBM47841 COc1ccc2cc(ccc2c1)C1(C)NC(=O)N(CC(=O)NCc2ccco2)C1=O
BDBM47879 Clc1ccccc1\C=C\C(=O)Nc1cccnc1
BDBM47880 O=C1N(CCCc2ccccc2)c2ccccc2C1=O
BDBM47881 COC(=O)c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1
BDBM47882 Cc1cc(=O)oc2cc(NC(=O)Cc3ccccc3[N+]([O-])=O)ccc12
BDBM47883 Oc1ccc2ccccc2c1C=NNC(=O)c1cncc(Br)c1 |w:12.14|
BDBM47884 OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1cc(Br)ccc1O
BDBM47885 OC(=O)COc1ccc(Br)cc1C(c1c([nH]c2ccccc12)C(O)=O)c1c([nH]c2ccccc12)C(O)=O
BDBM47886 COc1ccc(cc1)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCl
BDBM47845 COc1cccc(c1)C(N(Cc1ccco1)C(=O)Cn1nnc2ccccc12)C(=O)NCc1ccco1
BDBM47846 COc1ccc(cc1)C(=O)Oc1cccnc1
BDBM47847 CC1CCc2cc(F)ccc2N1CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1
BDBM47848 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12
BDBM47887 CCc1nc(N2CCN(CC2)C(=O)CCl)c2c3CCC(C)Cc3sc2n1
BDBM47888 Cc1ccc(cc1)-c1cc(NC(=O)c2ccccc2[N+]([O-])=O)[nH]n1
BDBM47889 CCOc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1
BDBM47890 CCc1ccc2N(CCN3CCOCC3)C(=O)C(NC(C)=O)c2c1
BDBM47891 COc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1
BDBM47892 CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc12
BDBM47893 Cc1ccc(cc1)C1CC(=NN1C(=O)CCl)c1cccs1 |c:10|
BDBM47894 O=C1N(CC2COc3ccccc3O2)c2ccccc2C1=O
BDBM47895 CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(F)cc12
BDBM47850 COc1ccc(cc1)N(C(=O)Cn1nnc2ccccc12)C1(CCCCC1)C(=O)NC1CCCC1
BDBM47851 Cc1cc(C)c(N(C(C(=O)NC(C)(C)C)c2ccsc2)C(=O)Cn2nnc3ccccc23)c(C)c1
BDBM47852 COc1cccc(c1)C(N(C1CC1)C(=O)Cn1nnc2ccccc12)C(=O)Nc1ccc(F)cc1
BDBM47853 Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1
BDBM47854 Oc1ccccc1C(=O)Nc1ccc(OCC(F)(F)C(F)F)c(c1)C(F)(F)F
BDBM47855 COc1ccccc1\C=C\C(=O)c1cc(Br)ccc1OC(=O)c1ccco1
BDBM47856 [O-][N+](=O)c1cc(\C=C\C(=O)NCc2cccnc2)ccc1Cl
BDBM47857 Fc1ccccc1\C=C\C(=O)c1cc(Br)ccc1OC(=O)c1ccco1
BDBM47858 COc1cc(C=NNC(=O)Cn2nnc3ccccc23)cc(OC)c1OC |w:6.6|
BDBM47897 CCN(CC)C(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c2ccccc12 |w:11.10|
BDBM47860 CC(=O)Nc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccc(O)c(O)c1)C(=O)Cn1nnc2ccccc12
BDBM47861 CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)c1ccc(O)cc1
BDBM47898 Cc1cc(C)n(n1)C(=O)c1ccc(C)c(Br)c1
BDBM47899 Cc1ccc(cc1C)C(=O)n1cnc2ccccc12
BDBM47900 COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl
BDBM47901 Fc1ccccc1N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15|
BDBM47863 CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)c1cccn1C
BDBM47903 ClCC(=O)N(CCc1ccccc1)CCc1ccccc1
BDBM47904 O=C(CC#N)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 |w:6.5|
BDBM47906 CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cccc3cccnc23)c1
BDBM47907 COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1 |c:15|
BDBM47908 COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1 |c:13|
BDBM47909 ClCC(=O)N(NC(=O)Nc1ccccc1)c1ccccc1