ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
3748 | CN(C)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][O][C][Ring1][=N][=C][Ring1][P] | c16ccc2c7cc(=O)oc2c1.c17ccccc1.CN5C.C45=O.O46 |
3749 | COc1cc(C(=O)Nc2ccccc2F)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14cc8cc5c16.c17ccccc1F.C38=O.CO4.N37.O5C.O6C |
3750 | COc1cccc(OC)c1C(=O)Nc1c(C)cc(C)cc1C | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | c15c(C)cc(C)cc1C.c13cccc4c16.C26=O.CO3.O4C.N25 |
3752 | COc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c18nc6sc1C.c17cccnc1.C47=O.CO5.N46 |
3753 | CC(C)(C)c1csc(NC(=O)c2cccnc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][=C] | c16csc4n1.c15cccnc1.CC6(C)C.C35=O.N34 |
3755 | Cc1cc(Sc2nc(C)cc(C)c2C#N)nc(N)n1 | [C][C][=C][C][Branch2][Ring1][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][=N][C][Branch1][C][N][=N][Ring2][Ring1][C] | c14nc(C)cc(C)c1C#N.Cc1cc3nc(N)n1.S34 |
3759 | COc1ccc(Nc2ncnc3c2cnn3C)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][P][O][C] | c16ncnc2c1cnn2C.c14ccc7cc15.CO4.N67.O5C |
3760 | CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nccs1 | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c14ccc(Cl)cc1Cl.CC3C2=O.c15nccs1.O34.N25 |
3761 | Cc1cc(NC2CCCCC2)nc(N2CCOCC2)n1 | [C][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc3nc4n1.C15CCCCC1.N14CCOCC1.N35 |
3762 | CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccnc1 | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc(Cl)cc1Cl.c15cccnc1.CC3C2=O.O34.N25 |
3764 | Cc1cc(OCc2ccccc2)nc(N2CCOCC2)n1 | [C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc4nc5n1.c16ccccc1.N15CCOCC1.O34.C36 |
3765 | CC(=O)c1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c14cc(C)nc6n1.c17ccc5cc1.N16CCOCC1.CC7=O.O45 |
3766 | COC(=O)c1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c15cc(C)nc7n1.c18ccc6cc1.N17CCOCC1.C48=O.CO4.O56 |
3768 | Cc1cc(Oc2ccccc2F)nc(N2CCOCC2)n1 | [C][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc3nc5n1.c14ccccc1F.N15CCOCC1.O34 |
3770 | CCOC(=O)C(C)Oc1ccc(S(N)(=O)=O)cc1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.C2(=O)C4C.CC3.O23.O45 |
3772 | Cc1ccn2c(-c3csc(NCc4ccco4)n3)c(C)nc2c1 | [C][C][C][=C][N][C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N][=C][Branch1][C][C][N][=C][Ring2][Ring1][C][C][=Ring2][Ring1][=Branch1] | Cc1ccn2c8c(C)nc2c1.c18csc6n1.c17ccco1.N56.C57 |
3773 | CC(=O)Nc1nc(C)c(-c2csc(NCc3ccccc3)n2)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][S][Ring2][Ring1][Ring1] | c16nc(C)c9s1.c19csc7n1.c18ccccc1.CC4=O.N46.N57.C58 |
3774 | COC(=O)C1=C(C)NC(=O)NC1c1cccs1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13cccs1.CO2 |
3775 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC14.c14ccc3cc1.CO2.O3C |
3776 | Nc1ncnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 | [N][C][=N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=N][Ring2][Ring1][Branch1] | c14cc5cc6c1.Nc1ncnc3n1.C5(F)(F)F.C6(F)(F)F.N34 |
3777 | CCOC(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)NC14.c14c(F)cccc1Cl.CC3.O23 |
3778 | Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)n1 | [N][C][=N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][=N][Ring2][Ring1][C] | c14cc5ccc1Cl.Nc1ncnc3n1.C5(F)(F)F.N34 |
3779 | COC(=O)C1=C(C)NC(=O)NC1c1sccc1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][S][C][=C][C][=Ring1][Branch1][C] | C2(=O)C1=C(C)NC(=O)NC13.c13sccc1C.CO2 |
3780 | Cc1cccc(NS(=O)(=O)c2cccs2)c1C | [C][C][=C][C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C][C] | Cc1cccc4c1C.S3(=O)(=O)c1cccs1.N34 |
3781 | COc1ccc(C(=O)Nc2ccccc2C#N)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16ccccc1C#N.C37=O.CO4.N36.O5C |
3782 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(N)=O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O] | C2(=O)C1=C(C)NC(=O)NC16.c16ccc5cc1.C4C(N)=O.CC3.O23.O45 |
3783 | CCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n15nc6c2ccccc2c1=O.c16ccccc1.C3(=O)C5.CC4.O34 |
3784 | CCOC(=O)c1cc2cc(Cl)ccc2oc1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Cl)ccc2oc1=O.C35=O.CC4.O34 |
3785 | CCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S4(=O)=O)cc1.CCC(C)C3=O.N14CCOCC1.N35 |
3786 | CC(Oc1ccccc1)C(=O)NCCc1ccc(F)cc1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.c14ccccc1.CC3C2=O.C5C6.O34.N25 |
3787 | Cc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc6n1.c15ccc(Cl)cc1.C3(=O)C4.N36.O45 |
3788 | CCC1CCCCN1C(=O)c1c(-c2ccccc2)noc1C | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C] | C15CCCCN13.c14c6noc1C.c16ccccc1.C34=O.CC5 |
3792 | CCOC(=O)c1[nH]c(C)c(C(=O)c2cccs2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][=N][C] | c15[nH]c(C)c7c1C.c16cccs1.C35=O.C67=O.CC4.O34 |
3793 | Nc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCC3 | [N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][P][Ring1][=Branch1][C][C][C][C][Ring1][Branch2] | Nc1c5sc2nc3c(cc12)CCCC3.N14CCCCC1.C45=O |
3795 | CS(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=N] | c16ccc(Cl)cc1.c14nnc5s1.CS3(=O)=O.N34.C56 |
3796 | CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.c17ccco1.CC4(C)C.C37=O.N45.N36 |
3797 | Cc1cccc(-c2nc(C)cc(OC(=O)N(C)C)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] | c16nc5cc(C)n1.Cc1cccc6c1.C34=O.N4(C)C.O35 |
3799 | O=C(Nc1nnc(C(F)(F)F)s1)c1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14nnc6s1.C6(F)(F)F.O=C35.N34 |
3800 | Cc1nc(S(=O)(=O)c2ccccc2)c(N2CCCCC2)o1 | [C][C][=N][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | Cc1nc(S(=O)(=O)c2ccccc2)c3o1.N13CCCCC1 |
3801 | O=C(COC(=O)c1cccs1)c1ccc(Cl)cc1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14cccs1.O=C5C3.C24=O.O23 |
3802 | O=C(Cc1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)s1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c15ccc(Cl)cc1.c13nnc4s1.O=C2C5.C4(F)(F)F.N23 |
3803 | CC(C)Cc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(Cl)cc1.c15nnc4s1.CC(C)C5.C3(=O)C6.N34 |
3804 | CCC(C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 | [C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC5C2=O.c13nnc4s1.c15ccccc1.C4(F)(F)F.N23 |
3805 | Cc1cc(C)c(C#N)c([S+]([O-])Cc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S+1][Branch1][C][O-1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)c(C#N)c([S+]([O-])C3)n1.c13ccc(Cl)cc1 |
3806 | COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c15ccc9cc1.c17nnc6s1.c18cccs1.C4(=O)C8.CO5.C79.N46 |
3807 | O=C(COc1ccccc1O)NCc1ccccc1Cl | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc1O.c16ccccc1Cl.O=C2C3.O34.N25.C56 |
3808 | N#Cc1cc2c(nc1S(=O)(=O)Cc1ccccc1)CCCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][N][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][C] | N#Cc1cc2c(nc1S(=O)(=O)C3)CCCC2.c13ccccc1 |
3809 | N#Cc1cc2c(nc1[S+]([O-])Cc1ccc(Cl)cc1)CCCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][N][=C][Ring1][=Branch1][S+1][Branch1][C][O-1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring2][Ring1][C] | N#Cc1cc2c(nc1[S+]([O-])C3)CCCC2.c13ccc(Cl)cc1 |
3810 | CC(C)Cc1nnc(NC(=O)CC(C)(C)C)s1 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=N] | C2(=O)CC(C)(C)C.c14nnc3s1.CC(C)C4.N23 |
3811 | CC1CN(C(=O)COc2ccccc2OC(=O)N(C)C)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | CC1CN4CC(C)O1.c17ccccc18.C4(=O)C6.C35=O.N5(C)C.O67.O38 |
3813 | CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 | [C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C] | c15ccc(S4(=O)=O)cc1.CCC(C)(C)C2=O.C3(C)(C)C.N25.N34 |
3816 | CCC(C)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=C] | c17ccc4cc1.CCC(C)C3=O.c15nnc6s1.N35.C67.O4C |
3817 | COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1O | [C][O][C][=C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch1][O] | C16NC(=O)NC(C)=C1C3=O.c15cc6ccc1O.C4(C)(C)C.CO5.O34 |
3818 | CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2F)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccccc1F.C4(C)(C)C.O34 |
3819 | c1ccc(CC2COC(C3=NC(Cc4ccccc4)CO3)=N2)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][C][C][O][C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][N][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] | C15COC(C2=NC6CO2)=N1.c1ccc7cc1.c18ccccc1.C57.C68 |
3820 | Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CC(C)C)s1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2] | Cc1onc7c15.c17ccccc1.c14nnc6s1.C6C(C)C.C35=O.N34 |
3821 | O=C(Cc1ccc(F)cc1)Nc1nnc(C(F)(F)F)s1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c15ccc(F)cc1.c13nnc4s1.O=C2C5.C4(F)(F)F.N23 |
3822 | CC(CC(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1 | [C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC5CC2=O.c13nnc4s1.c15ccccc1.C4(F)(F)F.N23 |
3823 | O=C(OCc1ccccc1)C1CCCN1C(=O)c1cccs1 | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c17ccccc1.C15CCCN13.c16cccs1.O=C25.C36=O.O24.C47 |
3824 | COC(=O)CSc1nc(NC(C)=O)nc(C)c1Br | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Branch1][C][C][=C][Ring1][O][Br] | c16nc5nc(C)c1Br.C2(=O)C4.C3(C)=O.CO2.S46.N35 |
3825 | Cc1cc(C)n(CC(O)COc2ccc(Cl)cc2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=Ring2][Ring1][Ring1] | c14ccc(Cl)cc1Cl.Cc1cc(C)n5n1.C5C(O)C3.O34 |
3827 | CC1=C(C(=O)OC(C)C)C(c2cccc(O)c2)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C5NC(=O)N1.c15cccc(O)c1.C4(C)C.O34 |
3829 | CSc1nc2ccc(C)cc2c(=O)n1-c1cccnc1 | [C][S][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14nc2ccc(C)cc2c(=O)n13.c13cccnc1.CS4 |
3830 | Cc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][N][=C][Ring1][=C][Ring1][P][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | n18ncc2c6ncnc21.Cc1ccc8c(C)c1.c17ccccn1.N56.C57 |
3831 | Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccc(Cl)c1 | [C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nc2c(cnn23)c(=O)n14.c14cccc(Cl)c1.c13ccccc1 |
3833 | O=S(=O)(c1ccccc1F)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][C][C][Ring1][#Branch1] | O=S2(=O)c1ccccc1F.N12CCCCCC1 |
3834 | CC1CCCCN1S(=O)(=O)c1ccccc1F | [C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | S2(=O)(=O)c1ccccc1F.CC1CCCCN12 |
3835 | O=S(=O)(NC1CCCCC1)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S2(=O)c1ccccc1F.C13CCCCC1.N23 |
3836 | O=S(=O)(NCCc1ccccc1)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S3(=O)c1ccccc1F.c14ccccc1.C2C4.N23 |
3837 | O=C(Nc1cc(F)c(Br)cc1F)c1ccco1 | [O][=C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][F][C][=C][C][=C][O][Ring1][Branch1] | c13cc(F)c(Br)cc1F.c14ccco1.O=C24.N23 |
3838 | CC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(F)c(Cl)c1.CC1CN3CC(C)O1 |
3839 | CCOC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(O)c(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15cc4c(O)c(Cl)c1.CC3.O23.O4C |
3840 | CCN(CC)S(=O)(=O)c1ccc(F)c(Cl)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | S4(=O)(=O)c1ccc(F)c(Cl)c1.N234.CC2.C3C |
3841 | CC1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2] | S3(=O)(=O)c1ccccc14.CC1CN3CC(C)O1.C4(F)(F)F |
3842 | NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16nc2ccccc2n14.c15ccccc1Cl.NC(=O)C3.S36.C45 |
3843 | O=S(=O)(NCc1ccco1)c1ccccc1C(F)(F)F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | O=S3(=O)c1ccccc15.c14ccco1.C5(F)(F)F.N23.C24 |
3844 | CC(C)CNS(=O)(=O)c1ccccc1C(F)(F)F | [C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | S3(=O)(=O)c1ccccc14.CC(C)C2.C4(F)(F)F.N23 |
3845 | O=S(=O)(NCc1cccs1)c1ccc(F)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S3(=O)c1ccc(F)c(Cl)c1.c14cccs1.N23.C24 |
3846 | Cc1onc(-c2c(Cl)cccc2Cl)c1C1=NCCO1 | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=N][C][C][O][Ring1][Branch1] | Cc1onc3c1C1=NCCO1.c13c(Cl)cccc1Cl |
3847 | Cc1onc(-c2ccccc2Cl)c1C1=NCCO1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=N][C][C][O][Ring1][Branch1] | Cc1onc3c1C1=NCCO1.c13ccccc1Cl |
3848 | Cc1onc(-c2c(F)cccc2Cl)c1C1=NCCO1 | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=N][C][C][O][Ring1][Branch1] | Cc1onc3c1C1=NCCO1.c13c(F)cccc1Cl |
3849 | O=S(=O)(c1ccc(F)c(Cl)c1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(F)c(Cl)c1.N12CCOCC1 |
3850 | O=C(C=C1OC(=O)c2ccccc21)Oc1cccc(C(F)(F)F)c1 | [O][=C][Branch2][Ring1][C][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | C1=5OC(=O)c2ccccc21.c14cccc6c1.O=C3C=5.C6(F)(F)F.O34 |
3851 | O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(F)c(Cl)c1.N12CCCCC1 |
3852 | O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][C][C][Ring1][#Branch1] | O=S2(=O)c1ccc(F)c(Cl)c1.N12CCCCCC1 |
3853 | CC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][P] | S3(=O)(=O)c1ccc(F)c(Cl)c1.CC1CCN3CC1 |
3854 | CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | c13ccc(Br)c4c1.C4(F)(F)F.CC2=O.N23 |
3855 | O=S(=O)(NCc1ccccc1)c1ccc(F)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S3(=O)c1ccc(F)c(Cl)c1.c14ccccc1.N23.C24 |
3856 | O=S(=O)(Nc1ccc(C2=NCCO2)cc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][O][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(C2=NCCO2)cc1.O=S3(=O)c1ccccc1.N34 |
3858 | O=S(=O)(Nc1ccc(C2=NCCO2)cc1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][O][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(C2=NCCO2)cc1.O=S3(=O)c1ccc(Cl)cc1.N34 |
3859 | O=S(=O)(NCc1ccco1)c1ccc(Cl)c(C(F)(F)F)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | O=S3(=O)c1ccc(Cl)c5c1.c14ccco1.C5(F)(F)F.N23.C24 |
3862 | CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | S4(=O)(=O)c1ccc(Cl)c5c1.C5(F)(F)F.N234.CC2.C3C |
3863 | CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | S2(=O)(=O)c1ccc(Cl)c3c1.C3(F)(F)F.CN2C |
3864 | N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | N#Cc1ccccc1S2(=O)=O.c13ccc(F)c(Cl)c1.N23 |
3865 | CC(C)=CCCC1(C)OC(=O)N(n2cnnc2)C1(C)O | [C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][N][Branch1][C][C][O] | C14(C)OC(=O)N(n2cnnc2)C1(C)O.C=3CC4.CC=3C |
3866 | N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N#Cc1ccccc1S2(=O)=O.c13ccc(F)cc1.N23 |
3869 | O=S(=O)(NCc1ccco1)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S3(=O)c1ccccc1F.c14ccco1.N23.C24 |
3870 | Cc1[nH]nc(O)c1Oc1ccc(Cl)cc1Cl | [C][C][NH1][N][=C][Branch1][C][O][C][=Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c13ccc(Cl)cc1Cl.Cc1[nH]nc(O)c12.O23 |
3871 | O=S(=O)(NCc1cccs1)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S3(=O)c1ccccc1F.c14cccs1.N23.C24 |
3872 | CC(=O)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | c16ccc5c(F)c1.N15CCN4CC1.c17ccc(F)cc1.CC6=O.C47=O |
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