ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
43675 | COc1ccc(-c2ccc(SCc3cccnc3)nn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c14ccc8cc1.c18ccc7nn1.c16cccnc1.CO4.S57.C56 |
43676 | c1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c17ccc6nn1.c1ccc7cc1.c15ccccn1.S46.C45 |
43677 | COc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc9cc15.c19ccc8nn1.c17ccccn1.CO4.S68.C67.O5C |
43678 | COc1ccc(-c2ccc(SC)nn2)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][S][C][N][=N][Ring1][Branch2][C][=C][Ring1][=C][O][C] | c13ccc6cc14.c16ccc5nn1.CO3.S5C.O4C |
43679 | O=C(CSc1ccc(-c2ccc(F)cc2)nn1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc6nn1.c16ccc(F)cc1.N13CCCCC1.O=C3C4.S45 |
43680 | COc1ccc(-c2ccc(SCC(=O)N3CCCCC3)nn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c18ccc7nn1.N14CCCCC1.C6C4=O.CO5.S67 |
43681 | O=C(CSc1ccc(-c2ccc(F)cc2)nn1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6nn1.c16ccc(F)cc1.N13CCOCC1.O=C3C4.S45 |
43682 | COc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c18ccc7nn1.N14CCOCC1.C6C4=O.CO5.S67 |
43685 | COc1ccc(-c2ccc(SCC(N)=O)nn2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=N][Ring1][O][C][=C][Ring1][P][O][C] | c13ccc7cc14.c17ccc6nn1.C5C(N)=O.CO3.S56.O4C |
43686 | COc1ccc(-c2ccc(SCC(N)=O)nn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=N][Ring1][O][C][=C][Ring1][P] | c13ccc6cc1.c16ccc5nn1.C4C(N)=O.CO3.S45 |
43687 | O=C(CSc1ccc(-c2ccc(F)cc2)nn1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c15ccc6nn1.c16ccc(F)cc1.N13CCCC1.O=C3C4.S45 |
43688 | O=C(CSc1ccc(-c2ccccc2)nn1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c15ccc6nn1.c16ccccc1.N13CCCC1.O=C3C4.S45 |
43689 | O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c15ccc6nn1.c16ccc(Cl)cc1.N13CCCC1.O=C3C4.S45 |
43691 | O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccco1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccc8nn1.c18ccc(F)cc1.c16ccco1.O=C3C5.S57.N34.C46 |
43692 | O=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccco1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccc8nn1.c18ccccc1.c16ccco1.O=C3C5.S57.N34.C46 |
43693 | COc1ccc(-c2ccc(SCC(=O)NC(C)C)nn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c14ccc8cc1.c18ccc7nn1.C6C3=O.C5(C)C.CO4.S67.N35 |
43694 | Cc1cc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][=N][O][Ring2][Ring1][#Branch1] | c17ccc8nn1.c18ccc(F)cc1.Cc1cc6no1.C4(=O)C5.N46.S57 |
43695 | Cc1cc(NC(=O)CSc2ccc(-c3ccccc3)nn2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][=N][O][Ring2][Ring1][=Branch1] | c17ccc8nn1.Cc1cc6no1.c18ccccc1.C4(=O)C5.N46.S57 |
43696 | CN(C)C(=O)CSc1ccc(-c2ccc(F)cc2)nn1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=N] | c15ccc6nn1.c16ccc(F)cc1.C3(=O)C4.CN3C.S45 |
43697 | COc1ccc(-c2ccc(SCC(=O)N(C)C)nn2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc8cc15.c18ccc7nn1.C6C3=O.N3(C)C.CO4.S67.O5C |
43698 | Cc1ccc(-c2ccc(SC(C)C(N)=O)nn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][S][C][Branch1][C][C][C][Branch1][C][N][=O][N][=N][Ring1][N][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c15ccc4nn1.C3(C)C(N)=O.S34 |
43699 | CC(Sc1ccc(-c2ccc(Cl)cc2)nn1)C(N)=O | [C][C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][Branch1][C][N][=O] | c14ccc5nn1.c15ccc(Cl)cc1.CC3C(N)=O.S34 |
43700 | COc1ccc(-c2ccc(SC(C)C(N)=O)nn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][S][C][Branch1][C][C][C][Branch1][C][N][=O][N][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c13ccc6cc1.c16ccc5nn1.C4(C)C(N)=O.CO3.S45 |
43701 | N#Cc1ccc(Cn2c(-c3ccccc3)noc2=O)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][Ring1] | N#Cc1ccc5cc1.n14c6noc1=O.c16ccccc1.C45 |
43702 | Cc1ccc(C(=O)Cn2c(-c3ccccc3)noc2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc4cc1.n15c6noc1=O.c16ccccc1.C4(=O)C5 |
43703 | O=C(Cn1c(-c2ccccc2)noc1=O)NCc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][Ring1][O][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c7noc1=O.c17ccccc1.c16ccccc1.O=C3C5.N34.C46 |
43704 | CCc1cccc(C)c1NC(=O)Cn1c(-c2ccccc2)noc1=O | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][Ring1][O][=O] | c16cccc(C)c14.n15c7noc1=O.c17ccccc1.C3(=O)C5.CC6.N34 |
43705 | O=C(Cn1c(-c2ccccc2)noc1=O)Nc1cccc2ccccc12 | [O][=C][Branch2][Ring1][Ring2][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][Ring1][O][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2ccccc12.n15c6noc1=O.c16ccccc1.O=C3C5.N34 |
43706 | CCc1nc(SCC(=O)N2CCOCC2)c2ccccc2n1 | [C][C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c15nc6c2ccccc2n1.N13CCOCC1.C4C3=O.CC5.S46 |
43707 | CCc1nc(SCC(=O)N2CCC(C)CC2)c2ccccc2n1 | [C][C][C][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | c15nc6c2ccccc2n1.N13CCC(C)CC1.C4C3=O.CC5.S46 |
43708 | COc1ccc(-c2noc(=O)n2CC(=O)Nc2ccccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c14ccc7cc1.c17noc(=O)n16.c15ccccc1C.C6C3=O.CO4.N35 |
43709 | COC(=O)CSc1nc(C2CC2)nc2ccccc12 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c15nc6nc2ccccc12.C3(=O)C4.C16CC1.CO3.S45 |
43710 | CC(C)OC(=O)CSc1nc(C2CC2)nc2ccccc12 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c16nc7nc2ccccc12.C3(=O)C5.CC4C.C17CC1.O34.S56 |
43711 | N#Cc1ccc(Cn2c(-c3ccc(Cl)cc3)noc2=O)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2] | N#Cc1ccc5cc1.n14c6noc1=O.c16ccc(Cl)cc1.C45 |
43712 | Cn1c2ccccc2n2c(=O)c(=O)n(Cc3ccc(C#N)cc3)nc12 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][Branch2][Ring1][P] | Cn1c2ccccc2n2c(=O)c(=O)n4nc12.c15ccc(C#N)cc1.C45 |
43713 | O=C(CSc1nc(C2CC2)nc2ccccc12)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15nc6nc2ccccc12.N13CCCCC1.O=C3C4.C16CC1.S45 |
43714 | CC1CCCCN1C(=O)CSc1nc(C2CC2)nc2ccccc12 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c15nc6nc2ccccc12.CC1CCCCN13.C3(=O)C4.C16CC1.S45 |
43715 | CC1CCCN(C(=O)CSc2nc(C3CC3)nc3ccccc23)C1 | [C][C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] | c16nc7nc2ccccc12.CC1CCCN4C1.C4(=O)C5.C17CC1.S56 |
43716 | O=C(CSc1nc(C2CC2)nc2ccccc12)N1CCCCCC1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | c15nc6nc2ccccc12.N13CCCCCC1.O=C3C4.C16CC1.S45 |
43717 | Cn1c(SCC2CCCO2)nnc1-c1ccccc1O | [C][N][C][Branch1][#Branch2][S][C][C][C][C][C][O][Ring1][Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cn1c5nnc16.c16ccccc1O.C14CCCO1.S35.C34 |
43718 | Cn1c(SCC2CCCO2)nnc1-c1ccccc1 | [C][N][C][Branch1][#Branch2][S][C][C][C][C][C][O][Ring1][Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c5nnc16.c16ccccc1.C14CCCO1.S35.C34 |
43719 | COc1ccccc1-c1nnc(SCc2ccccn2)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][=N][C] | c13ccccc17.c17nnc6n1C.c15ccccn1.CO3.S46.C45 |
43720 | COc1ccccc1-c1nnc(SCC2CCCO2)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#Branch2][S][C][C][C][C][C][O][Ring1][Branch1][N][Ring1][N][C] | c13ccccc17.c17nnc6n1C.C15CCCO1.CO3.S46.C45 |
43721 | Cn1c(SCC(N)=O)nnc1-c1cccc(C#N)c1 | [C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] | c14cccc(C#N)c1.Cn1c3nnc14.C2C(N)=O.S23 |
43722 | COC(=O)CSc1nnc(-c2cccc(OC)c2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][Ring1][=N][C] | c16nnc7n1C.c17cccc4c1.C3(=O)C5.CO3.S56.O4C |
43723 | CNC(=O)CSc1nnc(-c2cccc(OC)c2)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][Ring1][=N][C] | c16nnc7n1C.c17cccc4c1.C3(=O)C5.CN3.S56.O4C |
43724 | COc1cccc(-c2nnc(SCC(=O)N(C)C)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][N][C][=C][Ring2][Ring1][Ring1] | c14cccc7c1.c17nnc6n1C.C5C3=O.N3(C)C.CO4.S56 |
43725 | COc1cccc(-c2nnc(SCc3ccccn3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c14cccc8c1.c18nnc7n1C.c16ccccn1.CO4.S57.C56 |
43726 | COC(=O)CSc1nnc(-c2ccc(N(C)C)cc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring1][=C][C] | c16nnc7n1C.c17ccc5cc1.C3(=O)C4.N5(C)C.CO3.S46 |
43727 | CNC(=O)CSc1nnc(-c2ccc(N(C)C)cc2)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring1][=C][C] | c16nnc7n1C.c17ccc5cc1.C3(=O)C4.N5(C)C.CN3.S46 |
43728 | CN(C)C(=O)CSc1nnc(-c2ccc(N(C)C)cc2)n1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring1][=C][C] | c16nnc7n1C.c17ccc5cc1.C3(=O)C4.CN3C.N5(C)C.S46 |
43729 | CN(C)c1ccc(-c2nnc(SCC(N)=O)n2C)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][Ring1][P] | c14ccc6cc1.c16nnc5n1C.C3C(N)=O.CN4C.S35 |
43730 | COc1ccc(-c2nnc(SCC(=O)N(C)C)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][N][C][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c17nnc6n1C.C5C3=O.N3(C)C.CO4.S56 |
43731 | COc1ccc(-c2nnc(SCC3CCCO3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][#Branch2][S][C][C][C][C][C][O][Ring1][Branch1][N][Ring1][N][C][C][=C][Ring2][Ring1][Ring1] | c14ccc8cc1.c18nnc7n1C.C16CCCO1.CO4.S57.C56 |
43732 | CNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring1][=C][C] | c17ccc2c(c1)OCO2.c16nnc7n1C.C4(=O)C5.CN4.S56 |
43733 | COc1cccc(CSc2nnc(-c3cnccn3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14cccc6c1.c17nnc8n1C.c18cnccn1.CO4.C56.S57 |
43734 | Cn1c(SCc2ccccc2C#N)nnc1-c1cnccn1 | [C][N][C][Branch1][=N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14ccccc1C#N.Cn1c5nnc16.c16cnccn1.S35.C34 |
43735 | Cn1c(SCC2CCCO2)nnc1-c1ccncc1 | [C][N][C][Branch1][#Branch2][S][C][C][C][C][C][O][Ring1][Branch1][=N][N][=C][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1c5nnc16.c16ccncc1.C14CCCO1.S35.C34 |
43736 | CSc1nnc(-c2ccncc2)n1CCCN1CCCC1=O | [C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][N][C][C][C][C][Ring1][Branch1][=O] | c15nnc6n13.c16ccncc1.N14CCCC1=O.C3CC4.CS5 |
43737 | COc1cccc(-n2c(SC)nnc2-c2ccncc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][Branch1][Ring1][S][C][=N][N][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c13cccc4c1.n14c5nnc16.c16ccncc1.CO3.S5C |
43738 | Cc1nnc(SCC(=O)Nc2nccs2)n1C | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][N][Ring1][#C][C] | Cc1nnc6n1C.c15nccs1.C4C3=O.S46.N35 |
43739 | Cc1nnc(SCC(=O)N(C)C)n1Cc1ccccc1 | [C][C][=N][N][=C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc6n14.c15ccccc1.C3C2=O.N2(C)C.S36.C45 |
43741 | Cc1cc(C)n2nc(C(=O)Nc3ccc(F)cc3)cc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n2nc6cc2n1.c15ccc(F)cc1.C46=O.N45 |
43742 | Cc1nc(SCC(=O)N2CCCC2)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1nc5c2c(C)c(C)sc2n1.N13CCCC1.C4C3=O.S45 |
43743 | O=C(C1CCCO1)N1CCC(c2nc3ccccc3[nH]2)CC1 | [O][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2[nH]1.N14CCC6CC1.C15CCCO1.O=C45 |
43744 | CC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][C] | c16ccc2c(c1)OCCO2.N14CCC5CC1.CC4=O.C56=O |
43746 | O=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCOCC2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | c16ccc(Cl)cc1.C15CCN3CC1.N14CCOCC1.O=C56.C34=O |
43750 | COc1ccc(C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c13ccc6cc1.C15CCN4CC1.S4(C)(=O)=O.C56=O.CO3 |
43752 | CCS(=O)(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N13CCC4CC1.c15ccc(Cl)cc1.CCS3(=O)=O.C45=O |
43753 | O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CC2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | c16ccc(Cl)cc1.C14CCN3CC1.O=C46.C35=O.C15CC1 |
43754 | O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)C2CC2)CC1 | [O][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | c16ccc2c(c1)OCCO2.C14CCN3CC1.O=C46.C35=O.C15CC1 |
43757 | COc1ccc(C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.C17CCN4CC1.c16ccco1.C78=O.C46=O.CO5 |
43759 | COCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][C] | c17ccc2c(c1)OCCO2.N14CCC6CC1.C5C4=O.C67=O.CO5 |
43760 | COc1ccc(Cn2nnnc2CN2CCc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | N15CCc2ccccc21.c14ccc8cc1.n16nnnc17.CO4.C68.C57 |
43761 | Cc1cc(-c2nnc(SCC(=O)N3C(C)CCCC3C)o2)no1 | [C][C][=C][C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][O][Ring1][P][=N][O][Ring2][Ring1][=Branch1] | N14C(C)CCCC1C.Cc1cc7no1.c17nnc6o1.C5C4=O.S56 |
43763 | CNc1nc(-c2ccc3c(c2)CCN3C(C)=O)c(C)s1 | [C][N][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][S][Ring2][Ring1][C] | c16ccc2c(c1)CCN24.c15nc6c(C)s1.C4(C)=O.CN5 |
43767 | CCOC(=O)c1cc2occc2n1Cc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2occc2n16.c17ccccc1.C35=O.CC4.O34.C67 |
43768 | CCOC(=O)c1cc2occc2n1CC(=O)N1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c16cc2occc2n17.N14CCCCC1.C7C4=O.C36=O.CC5.O35 |
43769 | CCOC(=O)c1cc2occc2n1CC(=O)N(CC)CC | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | c18cc2occc2n19.C9C4=O.C38=O.N467.CC5.O35.C6C.C7C |
43770 | CCOC(=O)c1cc2occc2n1CC(=O)N1CCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c16cc2occc2n17.N14CCCC1.C7C4=O.C36=O.CC5.O35 |
43774 | CCOC(=O)c1cc2occc2n1CC(=O)N1CCCCC1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C] | c16cc2occc2n17.N14CCCCC1C.C7C4=O.C36=O.CC5.O35 |
43775 | CCOC(=O)c1cc2occc2n1CC(=O)NC1CCC(C)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c17cc2occc2n18.C16CCC(C)CC1.C8C4=O.C37=O.CC5.O35.N46 |
43776 | CCOC(=O)c1cc2occc2n1CC(=O)C(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c15cc2occc2n16.C6C(=O)C(C)(C)C.C35=O.CC4.O34 |
43777 | CCOC(=O)c1cc2occc2n1CC(=O)N(C(C)C)C(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C] | c18cc2occc2n19.C9C4=O.C38=O.N467.C6(C)C.C7(C)C.CC5.O35 |
43778 | CCOC(=O)c1cc2occc2n1CC(=O)N1CCCCC1CC | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C] | c16cc2occc2n17.N14CCCCC18.C7C4=O.C36=O.CC5.O35.C8C |
43779 | CCOC(=O)c1cc2occc2n1CC(=O)N1CC(C)CC(C)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2] | c16cc2occc2n17.N14CC(C)CC(C)C1.C7C4=O.C36=O.CC5.O35 |
43782 | CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N(CC)CC | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | c18cc2c(ccn2C)n19.C9C4=O.C38=O.N467.CC5.O35.C6C.C7C |
43784 | CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCC(C)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c16cc2c(ccn2C)n17.N14CCC(C)CC1.C7C4=O.C36=O.CC5.O35 |
43785 | CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCCC(C)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c16cc2c(ccn2C)n17.N14CCCC(C)C1.C7C4=O.C36=O.CC5.O35 |
43786 | CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1C(C)CCCC1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C] | c16cc2c(ccn2C)n17.N14C(C)CCCC1C.C7C4=O.C36=O.CC5.O35 |
43787 | CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C] | c16cc2c(ccn2C)n17.C7C4=O.C36=O.N4(C)C.CC5.O35 |
43789 | CCOC(=O)c1cc2sccc2n1CC(=O)OC | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][O][C] | c16cc2sccc2n17.C7C4=O.C36=O.CC5.O35.O4C |
43790 | CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c16cc2sccc2n17.N14CCCCC1.C7C4=O.C36=O.CC5.O35 |
43791 | CCOC(=O)c1cc2sccc2n1CC(=O)N1CCOCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c16cc2sccc2n17.N14CCOCC1.C7C4=O.C36=O.CC5.O35 |
43792 | CCOC(=O)c1cc2sccc2n1CC(=O)N(CC)CC | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | c18cc2sccc2n19.C9C4=O.C38=O.N467.CC5.O35.C6C.C7C |
43793 | CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c16cc2sccc2n17.N14CCCC1.C7C4=O.C36=O.CC5.O35 |
43794 | CCOC(=O)c1cc2sccc2n1CC(=O)N1CCC(C)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c16cc2sccc2n17.N14CCC(C)CC1.C7C4=O.C36=O.CC5.O35 |
43795 | CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCCC1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C] | c16cc2sccc2n17.N14CCCCC1C.C7C4=O.C36=O.CC5.O35 |
43796 | CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCC(C)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c16cc2sccc2n17.N14CCCC(C)C1.C7C4=O.C36=O.CC5.O35 |
43798 | CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17cc2sccc2n18.c16ccccc1F.C8C4=O.C37=O.CC5.O35.N46 |
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