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265 SMILES Strings for MCOLN3 protein

Compound NameSMILES String
BDBM30910 CCOc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(F)cc1
BDBM32750 CN(CCOc1ccccc1)c1ccc(cn1)S(=O)(=O)N1CCCCC1
BDBM32956 Cc1onc(c1C(=O)N(Cc1ccco1)Cc1cccs1)-c1ccccc1
BDBM32962 Cc1cc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccc(C)cc2)no1
BDBM38810 CCC(C(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1
BDBM36859 CC1CCCC(C)N1C(=O)CN1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
BDBM37357 COc1cccc(CN(Cc2ccco2)C(c2nnnn2C(C)(C)C)c2ccc(F)cc2)c1
BDBM40318 CC(C1CC(=O)N(C2CCCCC2)C1=O)c1ccccc1
BDBM39637 CC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM43883 Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
BDBM43135 CN1CCS\C1=C/C=C1\SC(=S)N(CC(O)=O)C1=O
BDBM42978 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]=[#6]-1/[#6]=[#6]-[#7](-[#6]-[#6]=[#6])-[#6]=[#6]-1)\C#N |c:9,15|
BDBM42052 CNc1nc2cc(c(cc2nc1NC)[N+]([O-])=O)[N+]([O-])=O
BDBM42058 C(CC1=CCCCC1)Nc1ncnc2c3ccccc3[nH]c12 |t:2|
BDBM44576 Clc1ccc(c(Br)c1)S(=O)(=O)N1CCCCC1
BDBM44577 CCN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC
BDBM44578 CC1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
BDBM46981 Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
BDBM46984 [H]C12CN(C([H])(C1)CCC2)S(=O)(=O)c1ccc(C)cc1 |THB:10:3:6:9.7.8|
BDBM46991 Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1 |(6.9,-2.18,;7.81,-.93,;9.35,-.93,;9.82,.53,;8.58,1.44,;7.33,.53,;5.87,1.01,;5.39,2.47,;3.85,2.47,;3.37,1.01,;4.62,.1,;4.62,-1.44,;6.16,-1.44,;3.08,-1.44,;4.62,-2.98,;3.29,-3.75,;3.29,-5.29,;4.62,-6.06,;4.62,-7.6,;5.95,-5.29,;5.95,-3.75,;8.58,2.98,;7.24,3.75,;7.24,5.29,;8.58,6.06,;8.58,7.6,;9.91,5.29,;9.91,3.75,)|
BDBM46992 Cc1onc(c1-c1ccnn1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1 |(9.36,-2.28,;10.27,-1.04,;11.81,-1.04,;12.28,.43,;11.04,1.33,;9.79,.43,;8.33,.9,;7.85,2.37,;6.31,2.37,;5.84,.9,;7.08,-0,;7.08,-1.54,;8.62,-1.54,;5.54,-1.54,;7.08,-3.08,;8.41,-3.85,;8.41,-5.39,;7.08,-6.16,;5.75,-5.39,;5.75,-3.85,;4.41,-6.16,;3.08,-6.93,;5.18,-7.49,;3.64,-4.83,;11.04,2.87,;12.37,3.64,;12.37,5.18,;11.04,5.95,;11.04,7.49,;9.7,5.18,;9.7,3.64,)|
BDBM46993 Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1 |(6.9,-1.41,;7.81,-.16,;9.35,-.16,;9.82,1.3,;8.58,2.21,;7.33,1.3,;5.87,1.78,;5.39,3.24,;3.85,3.24,;3.37,1.78,;4.62,.87,;4.62,-.67,;6.16,-.67,;3.08,-.67,;4.62,-2.21,;3.29,-2.98,;3.29,-4.52,;4.62,-5.29,;4.62,-6.83,;5.95,-4.52,;5.95,-2.98,;8.58,3.75,;9.91,4.52,;9.91,6.06,;8.58,6.83,;7.24,6.06,;7.24,4.52,)|
BDBM46994 O=S(=O)(Nc1ccccc1N1CCCCC1)c1cccs1
BDBM46995 Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1N1CCCCC1
BDBM46757 O=C(Nc1ccccc1)Nc1ccc2snnc2c1
BDBM46758 Cc1cc(nc(NCc2ccccc2)n1)N1CCCCC1
BDBM46759 COC(=O)C([CH+][N-]OCc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc(Cl)c1
BDBM46793 CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
BDBM46794 [O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Cl)cc2)s1
BDBM46795 CC(C)(C)S(=O)(=O)C(=NNc1ccc(Cl)cc1)C#N |w:8.8|
BDBM46833 C[N+](C)(C)C\C=C1\COCO1
BDBM46834 Cc1onc(c1C(=O)Nc1cccc(c1)-c1nc2ncccn2c1C)-c1ccccc1Cl
BDBM46877 CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
BDBM46942 CCOc1ccc(c(C)c1C)S(=O)(=O)N1CCCCC1
BDBM46943 COc1ccc(cc1Br)S(=O)(=O)N1CCCCCC1
BDBM46760 CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
BDBM46761 COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cc(nc2ccccc12)-c1ccccc1
BDBM46762 Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
BDBM46763 Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
BDBM46764 [#6]\[#6](-c1c([n-]n(-c2ccc(cc2)-[#7+](-[#8-])=O)c1=O)-c1ccccc1)=[#7+](/[#6])-[#6]
BDBM46765 COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1
BDBM46766 COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
BDBM46767 CCN1C(=S)N\C(=C/c2ccc(cc2)N2CCCC2)C1=O
BDBM46768 CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
BDBM46769 [O-][N+](=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1
BDBM46796 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(Cl)c1C)c2=O
BDBM46797 CN(C)C=Nc1cc2nc3[nH]c(=O)n(CC=C)c(=O)c3nc2cc1C |w:4.4|
BDBM46798 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2sc(=O)n(c2-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2ccccc2)-[#6]-1=O
BDBM46799 CCN(CC)c1ccc(\C=C2/SC(=O)N(C(C)C)C2=O)o1
BDBM46835 O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12
BDBM46836 Cc1nn(c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccccc1)C(C)(C)C
BDBM46883 CCOC(=O)CSc1nc2n(-c3ccccc3OC)c(=S)sc2c(=O)n1Cc1ccco1 |(4.18,5.39,;4.18,3.85,;5.52,3.08,;5.52,1.54,;4.18,.77,;6.85,.77,;6.85,-.77,;8.18,-1.54,;9.52,-.77,;10.85,-1.54,;12.31,-1.07,;12.79,.39,;11.76,1.54,;12.24,3,;13.74,3.32,;14.77,2.17,;14.29,.71,;15.32,-.44,;16.83,-.12,;13.21,-2.31,;14.75,-2.31,;12.31,-3.55,;10.85,-3.08,;9.52,-3.85,;9.52,-5.39,;8.18,-3.08,;6.85,-3.85,;5.52,-3.08,;5.36,-1.55,;3.85,-1.23,;3.08,-2.56,;4.11,-3.71,)|
BDBM46772 Cc1onc(c1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1)-c1ccccc1
BDBM46773 CCOc1cc(C=C(C#N)c2nc(c(NC(C)=O)s2)-c2cccs2)ccc1O
BDBM46774 CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1
BDBM46800 ClC(Cl)(Cl)C(=O)C(C#N)c1nc2ccccc2[nH]1
BDBM46801 COc1cc(\C=C2/SC(=S)N(C2=O)c2cccnc2)ccc1O
BDBM46837 Cc1nc(NC(=O)c2csc3ccccc23)sc1C
BDBM46838 CN(C)S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1Cl
BDBM46839 CC(C)N(Cc1nc(no1)-c1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1
BDBM46882 CCOc1cc(ccc1F)S(=O)(=O)N1CCCCCC1
BDBM46947 CC1CCN(CC1)S(=O)(=O)c1ccc(C)cc1[N+]([O-])=O
BDBM46776 Clc1ccc(s1)S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1
BDBM46777 COc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1
BDBM46802 COc1cc(N2CCCC2)c(OC)cc1\C=C1/SC(=O)N(C)C1=O
BDBM46803 Oc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccncc1 |w:10.11|
BDBM46804 CC(C)c1nc2n(C)c3ccccc3c(=O)c2c(=O)n1CCc1ccccc1
BDBM46840 COc1ccc(cc1Br)S(=O)(=O)N1CCC(C)CC1
BDBM46841 COc1ccc(c(C)c1C)S(=O)(=O)NC1CCCCC1
BDBM46842 CC(c1ccccc1)c1cc(C)c(C)c(CN2CCOCC2)c1O
BDBM46884 COc1ccc(c(Cl)c1Cl)S(=O)(=O)NC1CCCC1
BDBM46885 CC(C)N(C(C)C)C(=O)c1ccc(cc1)C(=O)c1c(C)cc(C)cc1C
BDBM46886 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
BDBM46887 CCN(CC)C(=O)CC1(CCOC(C1)C(C)C)c1ccccc1OC
BDBM46888 Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1
BDBM46889 CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
BDBM46890 [H]C12[#6]-[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#7]-[#6](=O)-[#6](-[#6]-[#6])-[#8]-c1cc(Cl)ccc1Cl)-[#6]-3=O)\[#6]2=[#6](/[#6])-[#6] |TLB:8:7:28:2.3,THB:26:6:28:2.3|
BDBM46940 Cc1ccc(NC(=O)c2cnc(N3CCN(CC3)c3ccccn3)c3ccccc23)c(Br)c1
BDBM46941 COc1cc(c(C)cc1C)S(=O)(=O)N(C)C1CCCCC1
BDBM46950 CC1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM46951 CCC1CCCCN1S(=O)(=O)c1ccccc1[N+]([O-])=O
BDBM46805 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)C1=O |TLB:8:7:10.9:2,11:10:2:7.5,THB:6:5:10.9:2,30:9:2:7.5|
BDBM46806 Cc1ccc(cc1NC(=O)Nc1cccc(F)c1)[N+]([O-])=O
BDBM46807 CCN1C(=S)S\C(=C/C=C2\N(CC)c3cc(ccc3N2c2ccccc2)S(=O)(=O)N(C)C)C1=O
BDBM46808 Oc1ccc(C=NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)cc1 |w:6.6,12.12|
BDBM46809 OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
BDBM46810 Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(CCc1ccccc1)c3=O
BDBM46811 CCCc1ccc(cc1)C(=O)NC(=O)c1ccccc1O
BDBM46812 COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
BDBM46846 CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
BDBM46847 COc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
BDBM46848 Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1
BDBM46919 Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCCC1
BDBM46953 O=S(=O)(N1CCCCCC1)c1ccc2ccccc2c1
BDBM46849 Cc1cc(C)n(n1)-c1nc(C)nc(NCc2ccccc2)n1
BDBM46850 O=S(=O)(N1CCCCC1)c1ccc2ccccc2c1
BDBM46851 COc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2C)c(OC)c1OC
BDBM46944 Clc1ccc(Cl)c(c1)N1CCN(CC1)S(=O)(=O)N1CCCCC1
BDBM46945 Cc1ccc(N2CCN(CC2)S(=O)(=O)N2CCCCC2)c(C)c1
BDBM46946 CCCC(=O)Oc1c(c(C)nn1C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
BDBM46955 CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
BDBM46770 CC(C)C=C1CCC(=Cc2ccc(cc2)N(C)C)C1=O |w:3.2,8.8|
BDBM46771 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(N)=S |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
BDBM46852 Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1
BDBM46853 CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc12 |t:1|
BDBM46854 COc1ccc(OC)c(c1)S(=O)(=O)N1CCCc2ccccc12
BDBM46855 CC1=CC(C)(C)N(C(=O)CSc2nnc(o2)-c2ccccc2)c2ccc(C)cc12 |t:1|
BDBM46856 O=S(=O)(c1ccccc1)C1(CCCC1)S(=O)(=O)c1ccccc1
BDBM46891 Brc1ccc(o1)C(=O)NC(=S)NNC(=O)c1cccs1
BDBM46892 COc1ccccc1C1CN=NC11CCCc2ccccc2C1=O |c:11|
BDBM46893 O=C1c2ccccc2CCCC11N=NCC1c1cccc2ccccc12 |c:14|
BDBM46894 Clc1cc(CS(=O)(=O)c2ccccc2)nc(n1)-c1ccccc1
BDBM46895 Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)nc1Oc1cccc(c1)C(F)(F)F
BDBM46896 O=S(=O)(\[#6]=[#6](\c1ccccc1)-c1ccccc1)c1ccccc1
BDBM46897 Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)c1c(C)cccc1C)C(C)(C)C
BDBM46898 CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC1(C)C |c:5|
BDBM46899 Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)C(C)(C)C
BDBM46900 COc1ccc(cc1)C(N(Cc1ccccc1)C(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1
BDBM46901 CN(C)c1ncc(c(n1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
BDBM46902 CC(C)COc1nc(C)cc(C)c1S(=O)(=O)c1c(C)cccc1C
BDBM46903 COc1ccc2N(C(=O)CSc3nc4ccccc4s3)C(C)(C)CC(C)c2c1
BDBM46904 Cc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O
BDBM46905 CN(c1cc(c(C)cc1C)S(=O)(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
BDBM46906 COc1ccc(cc1N(C)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(C)cc1
BDBM46907 CN(C)S(=O)(=O)c1cc(ccc1N1CCCCCC1)[N+]([O-])=O
BDBM46908 COc1ccc(NS(=O)(=O)c2ccc(OC)c(c2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM46909 CC(C)c1ccc(cc1S(=O)(=O)N1CCCCCC1)[N+]([O-])=O
BDBM46910 CC1CCN(CC1)S(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)cc1C
BDBM46911 C(c1cccc2ccccc12)[n+]1csc2ccccc12
BDBM46948 Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)N1CCCCC1
BDBM46949 COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(c1)[N+]([O-])=O
BDBM46957 COc1cc(C)ccc1S(=O)(=O)N1CCCCCC1
BDBM46813 Clc1ccc(NN=C(C#N)C(=O)C2CC2)cc1Cl |w:6.5|
BDBM46814 Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c1ccc(Cl)cc1
BDBM46952 Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1
BDBM46775 Clc1ccccc1NC(=S)NCCCc1ccccc1
BDBM46815 CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1
BDBM46816 CN(C)c1ccc(C=C(C#N)C(=O)C2CC2)cc1 |w:7.6|
BDBM46817 Cc1ccc(c(C)c1)-n1c(O)cc(N2CCSCC2)c1O |(5.79,-6.21,;5.79,-4.67,;7.12,-3.9,;7.12,-2.36,;5.79,-1.59,;4.46,-2.36,;3.12,-1.59,;4.46,-3.9,;5.79,-.05,;4.54,.85,;3.08,.38,;5.02,2.32,;6.56,2.32,;7.47,3.56,;6.84,4.97,;7.74,6.21,;9.28,6.05,;9.9,4.65,;9,3.4,;7.04,.85,;8.5,.38,)|
BDBM46857 Cc1ccc(cc1)S(=O)(=O)N1C(=S)SCC1(C)C
BDBM46858 COC(=O)C1=CCCN(C)C1 |t:4|
BDBM46859 Cl.[H][C@@]12C[C@@](O)(CCN1C[C@@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C
BDBM46862 Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccccc1
BDBM46863 CCOc1ccc(c2ccccc12)S(=O)(=O)N1CCCCCC1
BDBM46864 COc1cccc(CN(CC2CCCO2)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c1
BDBM46865 CSc1nsc(SC)c1C(=O)N1CCN(C1C(C)C)S(=O)(=O)c1ccc(C)cc1
BDBM46866 Cc1cc(C)cc(c1)N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1
BDBM46867 CCOC(=O)c1c(C)nn(c1NCc1ccccc1)S(=O)(=O)c1ccccc1
BDBM46954 COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1
BDBM46960 Clc1ccccc1Cc1cnc(s1)N1C(=N)SCC1=O
BDBM46818 CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(Cc1cccs1)C1CC1
BDBM46819 Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCCCCC1
BDBM46820 CC1(C)CCCC2=C1Cc1c(C2)c(O)n(c1O)-c1ccccc1 |c:6|
BDBM46821 COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1
BDBM46822 Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCCCC1
BDBM46823 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N1CCOCC1)c1cc(Cl)ccc1OC
BDBM46824 COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
BDBM46825 CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C(C)(C)C)S(=O)(=O)NC(C)(C)C
BDBM46860 Cc1ccc(c2nsnc12)S(=O)(=O)NC1CCCCC1
BDBM46861 Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCCCCC1
BDBM46869 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc(C)c1
BDBM46870 CC(C)Oc1ccc(C=NNC(=O)C(CSCc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |w:9.9|
BDBM46871 COc1ccc(OC)c(c1)N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1
BDBM46872 CC(C)C(COCc1ccc(cc1)C(F)(F)F)N1CCN(CCC1=O)S(=O)(=O)c1ccc(C)cc1
BDBM46873 ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(Cc2ccccc2)C1=O |c:1|
BDBM46874 CC(=C)Cn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
BDBM46875 CCCCn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
BDBM46956 CCOC(=O)C1CCN(CC1)C(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
BDBM46965 CN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
BDBM46966 CN1CCN(CC1)c1ccc(cc1NC(=O)COc1ccccc1C)S(=O)(=O)N1CCCCC1
BDBM46967 COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCc1c(C)noc1C
BDBM46778 OC(=O)c1cc2OCCCOc2cc1Br
BDBM46779 CCCCNC(=S)Nc1ccc(cc1)[N+]([O-])=O
BDBM46780 [O-][N+](=O)c1cc(NC(=O)Nc2ccccc2)ccc1F
BDBM46781 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27|
BDBM46782 Cc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
BDBM46783 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccc(CN2CCOCC2)cc1
BDBM46784 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
BDBM46912 Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
BDBM46913 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1-c1ccccc1
BDBM46914 COc1ccc(cc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)N1CCCCCC1
BDBM46915 COc1ccc(cc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)N1CCCCCC1
BDBM46916 CCCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)ncc1-c1ccc(F)cc1
BDBM46917 CCOC(=O)c1c(CSc2ccc(C)cc2)oc2ccc(O)cc12
BDBM46918 CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCO1)Cc1ccccn1
BDBM46958 COc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O
BDBM46959 CCOc1ccc2N(C(C)(C)C=C(C)c2c1)S(=O)(=O)c1ccc(C)cc1 |t:11|
BDBM46968 CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C#N
BDBM46969 COc1ccc(CCNC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM46970 Clc1ccc(CC(=O)Nc2ccccc2N2CCOCC2)cc1Cl
BDBM46971 CSc1nc2ccccc2nc1N(C)S(=O)(=O)c1ccc(C)cc1
BDBM46972 CCN(CC)c1ccc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2cccs2)cc1
BDBM46973 CN(c1ccc(OCC(=O)Nc2nnc(s2)C2CC2)cc1)S(=O)(=O)c1ccc(C)cc1
BDBM46974 CCc1nnc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(C)cc2)s1
BDBM46975 CC1(C)Cc2cccc(Oc3ccc(cn3)S(=O)(=O)N3CCCCC3)c2O1
BDBM46746 CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1
BDBM46747 CCN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1
BDBM46748 FC(F)(F)c1c(CCN2CCOCC2)c(=O)oc2c3CCCN4CCCc(cc12)c34
BDBM46749 [#6]-[#6](=O)-[#7]-1-[#6](=O)\[#6](-c2ccccc-12)=[#6]-1\[#6]=[#6](-[#6])-[#8]-[#6](-[#6])=[#6]-1 |c:21,t:16|
BDBM46750 CCOC(=O)C1CN(CCN1S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
BDBM46751 COCc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1
BDBM46752 CCOC(=O)C1C(NC(=O)NC1(O)C(F)(F)F)c1ccc2OCOc2c1
BDBM46753 COc1cc(OC)c(cc1OC)C(=O)NC1CCCCCC1
BDBM46754 [H]C12OC3(C=C1)C(C2C(O)=O)C(=O)N1C3C(C)C(=O)CC1c1ccco1 |c:4|
BDBM46827 Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCOCC1
BDBM46828 COCn1cc(c2cc(OCC=C)ccc12)S(=O)(=O)c1ccc(C)cc1
BDBM46829 Cc1nn(c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
BDBM46830 Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
BDBM46831 Cc1nn(c(OC(=O)C(C)(C)C)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
BDBM46832 Fc1ccc(cc1)S(=O)(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
BDBM46876 CN(CC(=O)ON=C(N)c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(C)cc1 |w:6.5|
BDBM46920 CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(CC(C)=C)CC1)S(=O)(=O)c1ccc(C)cc1
BDBM46921 CCNC(=S)N(Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O
BDBM46922 CC(C)N(C(C)C)C(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
BDBM46923 CC(N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
BDBM46924 CCOC(=O)C(C)(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
BDBM46925 OC(C(=O)NN(C(=O)c1ccccc1F)c1ccccc1)(c1ccccc1)c1ccccc1
BDBM46926 COc1ccc(cc1NC(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)C(C)(C)C
BDBM46927 Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
BDBM46928 CC(C)[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl
BDBM46929 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSC(=S)N(CC)CC |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
BDBM46930 CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
BDBM46931 O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1
BDBM46932 Cc1ccc(cc1C)S(=O)(=O)Nc1ccccc1-c1ccccc1
BDBM46933 CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(c1)[N+]([O-])=O
BDBM46934 CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)NC1CCCc2ccccc12
BDBM46935 COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)sc2CCCc12
BDBM46936 [H]C12CCC([H])(C1)C1C2ON=C1c1c(C)cc(C)cc1C |c:12,TLB:11:7:6:3.2,THB:9:8:6:3.2|
BDBM46977 COC(=O)C1(C(C[N+]([O-])=O)c2ccco2)C(CNC1=O)c1ccccc1
BDBM46978 CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
BDBM46979 S=C(NC1CCCCC1)N1CCOCCOCCN(CCOCC1)C(=S)NC1CCCCC1
BDBM46980 COc1ccc(cc1OC)C(=O)NC(=S)NNC(=O)c1c(C)onc1-c1ccccc1
BDBM46787 COc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1 |t:12|
BDBM46788 COC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1
BDBM46789 COc1ccccc1CC(=O)Nc1ccc(cc1O)[N+]([O-])=O
BDBM46790 COc1cccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)c1
BDBM46868 CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC
BDBM46982 COc1ccc(cc1)C(=O)CSc1nnn(n1)-c1cccc(NC(C)=O)c1
BDBM46983 COc1ccc(CCN2C(=O)CS\C2=N/c2ccc(cc2)C(C)C)cc1OC
BDBM46785 CN1CCS\C1=C\C=C1/SC(=S)N(CC(O)=O)C1=O
BDBM46786 N#C\C(=C/c1ccccn1)c1nc2ccccc2s1
BDBM46826 Cc1cc(C)cc(c1)N1C(SCC1=O)c1cccs1
BDBM46878 CC(C)n1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
BDBM46879 [O-][N+](=O)c1ccc(cc1)C(=O)N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O
BDBM46880 CN(CC(=O)ON=C(N)c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1 |w:6.5|
BDBM46881 CC1=CC(C)(C)N(C(=O)CSc2nnc(o2)-c2ccc(C)cc2)c2ccc(C)cc12 |t:1|
BDBM46938 COc1cc(C)nc(n1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
BDBM46937 CC(C)(C)NC(=O)C12CCC(C(Br)Br)(C1Br)C2(C)C
BDBM46961 [#6]-[#6]-1-[#6]-[#6]-[#6]-[#6](-[#6])-[#7]-1\[#6](=[#6](/Cl)Cl)\[#6](=[#6]-1\[#16]-[#6]-[#6]-[#16]-1)\[#7+](-[#8-])=O
BDBM46962 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(N2CCN(CC2)c2ccccn2)c(c1)[N+]([O-])=O |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
BDBM46963 COc1ccc(cc1)N1C(c2ccccc2F)C(F)(F)C1=O
BDBM46964 Clc1cnn(Cc2nnc(o2)-c2ccccc2Br)c(=O)c1Cl
BDBM46985 O=S(=O)(Oc1ccccc1N1CCCCC1)c1ccccc1
BDBM46986 COC(=O)c1ccc(Cl)cc1N(Cc1c(F)cccc1Cl)S(C)(=O)=O
BDBM46987 Clc1ccc(cc1)S(=O)(=O)c1csc(Br)c1NC(=O)c1ccccc1Cl
BDBM46988 COC(=O)c1cnc(nc1C(F)(F)F)N1CCCN(CC1)S(=O)(=O)c1ccccc1
BDBM46989 COC(=O)c1cc(c(s1)C(F)(F)F)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM46990 CCN(C(=O)c1cnc(OC)cc1C(F)(F)F)c1ccc(Cl)cc1Cl
BDBM46939 OC(=O)c1csc(N=NCc2ccc(Br)cc2)n1 |w:7.6|
BDBM46976 [H]C12CCCC([H])(C1Cl)C2S(=O)(=O)c1ccc(C)cc1 |(8.34,1.93,;7.25,.85,;3.24,-.4,;3.08,-1.93,;4.49,-2.55,;6.85,-.64,;7.27,-2.12,;6.11,2.36,;5.34,3.69,;9.67,-1.01,;11.16,-1.41,;10.76,-2.9,;11.56,.08,;12.65,-1.81,;13.05,-3.3,;14.53,-3.69,;15.62,-2.61,;17.11,-3,;15.22,-1.12,;13.74,-.72,)|
BDBM46755 CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ccc(F)cc1
BDBM46756 FC(F)(F)c1cccc(c1)C(=O)Nc1nnc(o1)-c1cccs1
BDBM46791 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C)n1
BDBM46792 COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(OC)c1O
BDBM50004665 O=C1CCCN1CC#CCN1CCCC1