ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
36564 | CCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21 |
36565 | CCCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CCCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21 |
36566 | Cc1[nH]c2ccccc2c1C1(O)C(=O)N(C(C)C)c2ccccc21 | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | Cc1[nH]c2ccccc2c1C1(O)C(=O)N(C(C)C)c2ccccc21 |
36567 | C#CCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | C#CCN1C(=O)C(O)(c2c(C)[nH]c3ccccc23)c2ccccc21 |
36568 | Cc1cccc2c1NC(=O)C2(O)c1c[nH]c2ccccc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | Cc1cccc2c1NC(=O)C2(O)c1c[nH]c2ccccc12 |
36570 | CCN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccncc1 |
36571 | CCCN1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | CCCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccco1 |
36572 | Cc1ccc(Cl)c2c1NC(=O)C2(O)c1c(C)[nH]c2ccccc12 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | Cc1ccc(Cl)c2c1NC(=O)C2(O)c1c(C)[nH]c2ccccc12 |
36575 | Cc1cccc2c1NC(=O)C2(O)c1c(C)[nH]c2ccccc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | Cc1cccc2c1NC(=O)C2(O)c1c(C)[nH]c2ccccc12 |
36578 | Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(C)c2ccccc21 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | C3(=O)CC1(O)C(=O)N(C)c2ccccc21.Cc1n[nH]c(C)c13 |
36580 | CN1C(=O)C(O)(CC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] | CN1C(=O)C(O)(CC4=O)c2ccccc21.c14cccc5c1.n15cccc1 |
36581 | C=CCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2ccccc21 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | C=CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13c(C)n[nH]c1C |
36582 | CCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13c(C)n[nH]c1C |
36583 | CCCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CCCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccn1 |
36584 | CC(C)N1C(=O)C(O)(CC(=O)c2ccco2)c2ccccc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | CC(C)N1C(=O)C(O)(CC3=O)c2ccccc21.c13ccco1 |
36585 | O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccco1 | [O][=C][Branch2][Ring1][P][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][C][=C][C][=C][O][Ring1][Branch1] | O=C3CC1(O)C(=O)N(C4)c2ccccc21.c14ccccc1.c13ccco1 |
36586 | C#CCN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | C#CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(C)o1 |
36587 | Cc1ccc(C(=O)CC2(O)C(=O)N(C(C)C)c3ccccc32)o1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][O][Ring2][Ring1][=Branch1] | C4(=O)CC1(O)C(=O)N(C(C)C)c2ccccc21.Cc1ccc4o1 |
36588 | C#CCN1C(=O)C(O)(CC(=O)c2ccc(CC)cc2)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | C#CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc4cc1.C4C |
36589 | Cc1[nH]c2ccccc2c1C1(O)C(=O)Nc2ccc(Cl)cc21 | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N] | Cc1[nH]c2ccccc2c1C1(O)C(=O)Nc2ccc(Cl)cc21 |
36590 | Cc1cccc2c1NC(=O)C2(O)CC(=O)c1ccco1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cccc2c1NC(=O)C2(O)CC3=O.c13ccco1 |
36591 | CCCN1C(=O)C(O)(c2c[nH]c3ccccc23)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CCCN1C(=O)C(O)(c2c[nH]c3ccccc23)c2ccccc21 |
36592 | Cc1cccc2c1NC(=O)C2(O)CC(=O)c1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | Cc1cccc2c1NC(=O)C2(O)CC3=O.c13ccc2c(c1)OCCO2 |
36593 | Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1O | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cc1ccc(Cl)c2c1NC(=O)C2(O)CC3=O.c13ccccc1O |
36594 | COc1cc(C2NC(=O)c3c(sc4c3CCCC4)N2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][O] | C16NC(=O)c2c(sc3c2CCCC3)N1.c15cc6ccc1O.CO5 |
36595 | COc1ccc(C2NC(=O)c3c(sc4c3CCCC4)N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | C16NC(=O)c2c(sc3c2CCCC3)N1.c15ccc6cc1.CO5 |
36596 | COc1ccc(C2NC(=O)c3c(sc4c3CCCC4)N2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | C17NC(=O)c2c(sc3c2CCCC3)N1.c15ccc7c6c1.CO5.O6C |
36597 | COc1ccc(C2NC(=O)c3c(sc4c3CCCC4)N2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | C17NC(=O)c2c(sc3c2CCCC3)N1.c15ccc7cc16.CO5.O6C |
36598 | O=C1NC(c2ccc3c(c2)OCO3)Nc2sc3c(c21)CCCC3 | [O][=C][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][S][C][=C][Branch1][#Branch1][C][=Ring1][Branch1][Ring2][Ring1][C][C][C][C][C][Ring1][#Branch1] | O=C1NC4Nc2sc3c(c21)CCCC3.c14ccc2c(c1)OCO2 |
36599 | CCn1nnnc1NC(=O)c1ccc(OC)c(Br)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2] | c15ccc3c(Br)c1.n16nnnc14.C25=O.CC6.N24.O3C |
36600 | CCn1nnnc1NC(=O)c1cc(OC)cc(OC)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16cc3cc4c1.n17nnnc15.C26=O.CC7.N25.O3C.O4C |
36601 | CCn1nnnc1NC(=O)c1cc(Cl)cc(Cl)c1OC | [C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C] | c15cc(Cl)cc(Cl)c13.n16nnnc14.C25=O.CC6.N24.O3C |
36602 | COc1ccc(OC)c(C2NC(=O)c3c(sc4c3CCCC4)N2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C][=C][Ring2][Ring1][=Branch1] | C17NC(=O)c2c(sc3c2CCCC3)N1.c15ccc6c7c1.CO5.O6C |
36603 | O=C1NC(c2cccnc2)Nc2sc3c(c21)CCCC3 | [O][=C][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][Ring1][#C][C][C][C][C][Ring1][#Branch1] | O=C1NC4Nc2sc3c(c21)CCCC3.c14cccnc1 |
36604 | COc1cccc(C2NC(=O)c3c(sc4c3CCCC4)N2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C][=C][Ring2][Ring1][Ring2] | C16NC(=O)c2c(sc3c2CCCC3)N1.c15cccc6c1.CO5 |
36605 | CCOc1cc(C2NC(=O)c3c(sc4c3CCCC4)N2)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][O] | C17NC(=O)c2c(sc3c2CCCC3)N1.c16cc7ccc1O.CC5.O56 |
36606 | COc1ccccc1C1NC(=O)c2c(sc3c2CCCC3)N1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C] | C15NC(=O)c2c(sc3c2CCCC3)N1.c14ccccc15.CO4 |
36607 | Cc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C] | S4(=O)(=O)c1ccccc1.Cc1ccc5cc1C.C3C(N)=O.N345 |
36608 | COC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccn1.C2(=O)C3.N345.CO2 |
36609 | Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc2c(c1)OCO2.Cc1ccc5cc1.C46=O.N45 |
36610 | COc1ccc(CNC(=O)CCSc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c18ccccc1.C3(=O)CC6.CO4.C57.N35.S68 |
36611 | Fc1cnc(Nc2ccccn2)nc1N1CCOCC1 | [F][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | Fc1cnc3nc15.c14ccccn1.N15CCOCC1.N34 |
36612 | COc1ccccc1CNC(=O)CCSc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc16.c17ccccc1.C2(=O)CC5.CO3.C46.N24.S57 |
36613 | CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(Cl)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
36614 | COc1cccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccccc1.c13cccc6c1.C4C(N)=O.N456.CO3 |
36615 | COC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c16ccccc1.S5(C)(=O)=O.C37=O.N456.CO3.C48 |
36616 | CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch2][Ring1][C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][P] | c16sc2c(c17)CCCC2.c18ccccc1.CC3=O.C47=O.N36.N45.C58 |
36618 | COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc(Cl)cc1C.CO3.N56.O4C |
36619 | Cc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.c16cccc(F)c1.C3C2=O.S4(C)(=O)=O.N345.N26 |
36620 | COC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccc2c3c(cccc13)CC2.C4(=O)C5.S6(C)(=O)=O.N567.CO4 |
36621 | O=C(Nc1ccccc1OC(F)F)c1cccnc1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc13.c15cccnc1.O3C(F)F.O=C25.N24 |
36622 | COc1cc(NC(=O)c2cccs2)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c15cc6ccc17.c18cccs1.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
36623 | Cc1ccc(C)c(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c5c1.c16sc(C)c(C)c17.C4C3=O.C7(N)=O.O45.N36 |
36624 | Cc1ccc(S(=O)(=O)Cc2ccccc2Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P] | Cc1ccc(S(=O)(=O)C3)cc1.c13ccccc1Cl |
36625 | CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | C6S(=O)(=O)c1ccc(C)cc1.c15ccc6cc1.C35=O.CC4.O34 |
36626 | COC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | C5S(=O)(=O)c1ccc(C)cc1.c14ccc5cc1.C34=O.CO3 |
36627 | O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.c16ccccc1.O=C2C4.N45.O23.C36 |
36628 | Cc1cccc(C)c1NC(=O)CCC(=O)OCc1ccc(Cl)cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1cccc(C)c15.C3(=O)CCC2=O.c16ccc(Cl)cc1.N35.O24.C46 |
36630 | O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccc(F)cc1F.O=C35.N34 |
36631 | Cc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16ccccc1.S4(C)(=O)=O.N345.C36 |
36632 | COc1ccc(C=c2sc3nc(-c4ccncc4)nn3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1] | c15ccc(C=c2sc3nc6nn3c2=O)cc1.c16ccncc1.CO5 |
36634 | COCc1cc(C)nc(N2CCc3ccccc32)c1C#N | [C][O][C][C][=C][C][Branch1][C][C][=N][C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][S][C][#N] | c16cc(C)nc5c1C#N.N15CCc2ccccc21.CO4.C46 |
36635 | CC(C)C(=O)Nc1ccc(C(=O)OCC(=O)c2cccs2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P] | c16ccc8cc1.CC(C)C4=O.c17cccs1.C5C7=O.C38=O.N46.O35 |
36636 | CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2cccs2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][P] | c16cccc8c1.CC(C)C4=O.c17cccs1.C5C7=O.C38=O.N46.O35 |
36637 | CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18cccc(Cl)c1.CC4=O.C58=O.N47.N56 |
36639 | CC(=O)Nc1ccc2nc(NC(=O)c3cccc(C)c3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2nc6sc2c1.c18cccc(C)c1.CC4=O.C58=O.N47.N56 |
36642 | CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c19ccc2nc8sc2c1.c17ccccc1.C5(=O)C6.CC4=O.N49.N58.O67 |
36643 | O=C(Nc1nc2c(Cl)cccc2s1)c1cccnc1 | [O][=C][Branch2][Ring1][C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14nc2c(Cl)cccc2s1.c15cccnc1.O=C35.N34 |
36647 | CCc1cccc(C)c1NC(=O)c1ccccc1N(C)S(C)(=O)=O | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c17cccc(C)c14.c16ccccc15.S3(C)(=O)=O.C26=O.N35C.CC7.N24 |
36648 | Cc1cc(C)c(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1cc(C)c5c(C)c1.c17ccccc16.S4(C)(=O)=O.C37=O.N46C.N35 |
36649 | CCCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c15nc2ccc6cc2s1.CCCC3=O.C4(C)=O.N35.N46 |
36650 | COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Cl] | c13ccc(S5(=O)=O)cc1Cl.c16ccccc1.C4C6.CO3.N45 |
36651 | CN(c1ccccc1C(=O)Nc1cccnc1)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc16.c15cccnc1.S3(C)(=O)=O.CN34.C26=O.N25 |
36652 | Cc1cc(C)n(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n(C6=O)n1.c16ccc5cc1.c17ccccc1.C47=O.N45 |
36654 | O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2o1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c14ccc2oc(=O)ccc2c1.c15cc2ccccc2o1.O=C35.N34 |
36655 | COc1ccccc1C(=O)Nc1ccc2oc(=O)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c15ccc2oc(=O)ccc2c1.c14ccccc16.C36=O.CO4.N35 |
36656 | CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c16ccccc15.CC3(C)C.C26=O.N23.N45 |
36657 | COc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c14cccc6c1.c18ccc7cc1.S5(C)(=O)=O.C38=O.CO4.N36.N57 |
36658 | CCOC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][S] | N14CCN5CC1.c18ccc7cc1.C34=O.C58=O.CC6.O36.O7C |
36659 | O=C(CCSc1ccc(Cl)cc1)NCc1cccnc1 | [O][=C][Branch1][#C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccc(Cl)cc1.c15cccnc1.O=C2CC4.S46.N23.C35 |
36660 | COC(C(=O)Nc1ccccc1C(=O)NC(C)C)c1ccccc1 | [C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc17.c18ccccc1.C48C2=O.C37=O.C5(C)C.CO4.N26.N35 |
36661 | CC(NC(=O)CSc1ncccn1)c1ccccc1 | [C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ncccn1.c15ccccc1.C2(=O)C4.CC35.N23.S46 |
36663 | O=C(NC(n1cccnc1=O)C(Cl)(Cl)Cl)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][N][C][=C][C][=N][C][Ring1][=Branch1][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15cccnc1=O.C35C(Cl)(Cl)Cl.c14ccccc1.O=C24.N23 |
36664 | COC(=O)c1ccc(CSc2nc(N)cc(N)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring1][S] | c17nc(N)cc(N)n1.c15ccc6cc1.C35=O.CO3.C46.S47 |
36665 | O=C(Nc1nc(-c2cccs2)cs1)c1cccs1 | [O][=C][Branch2][Ring1][C][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][S][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | c14nc6cs1.c16cccs1.c15cccs1.O=C35.N34 |
36667 | CC1CCc2nc(NC(=O)c3cccs3)sc2C1 | [C][C][C][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][=Ring1][=N][C][Ring1][P] | CC1CCc2nc5sc2C1.c16cccs1.C46=O.N45 |
36668 | CCOC(=O)c1csc(NC(=O)c2cccc(C)c2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][Ring1][#C] | c18cccc(C)c1.c17csc6n1.C37=O.C48=O.CC5.O35.N46 |
36669 | CC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][=Ring1][S][C] | c16ccc(C)c(C)c1.c15sc4nc1C.CC5=O.C36=O.N34 |
36671 | CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][P][C] | c17sc6nc1C.c15ccc(Cl)cc1.C3(=O)C4.CC7=O.N36.O45 |
36673 | CC(=O)c1sc(NC(=O)c2ccccc2F)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=Ring1][#C][C] | c15sc4nc1C.c16ccccc1F.CC5=O.C36=O.N34 |
36675 | CCC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][=C][S][Ring1][S] | c16cc2ccccc2oc1=O.c15nc6cs1.CCC4=O.N45 |
36676 | CC(=O)c1sc(NC(=O)c2cccc3ccccc23)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=Ring2][Ring1][C][C] | c17cccc2ccccc12.c16sc5nc1C.CC6=O.C47=O.N45 |
36677 | CC1(C)Oc2[nH]c(=O)[nH]c(=O)c2C2c3ccccc3OCC21 | [C][C][Branch1][C][C][O][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#Branch2][Ring2][Ring1][Branch1] | CC1(C)Oc2[nH]c(=O)[nH]c(=O)c2C2c3ccccc3OCC21 |
36678 | CCCC(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring1][#C] | c16c(C)nn(C)c1C.c14ccc5cc1.CCCC3=O.N34.C56 |
36679 | Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(C)C)cc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N] | Cc1nn(C)c(C)c14.c15ccc3cc1.C2(=O)C(C)C.C45.N23 |
36680 | CC(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring1][#C] | c16c(C)nn(C)c1C.c14ccc5cc1.CC3=O.N34.C56 |
36681 | Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccnc2)cc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | Cc1nn(C)c(C)c16.c17ccc4cc1.c15cccnc1.C35=O.C67.N34 |
36682 | O=C(Nc1ccccc1Br)c1ccc2c(c1)OCO2 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccccc1Br.O=C35.N34 |
36683 | O=C(Nc1ccccc1Cl)c1ccc2c(c1)OCO2 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccccc1Cl.O=C35.N34 |
36684 | Cc1cc(C)c(NC(=O)c2ccc3c(c2)OCO3)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c5c(C)c1.c16ccc2c(c1)OCO2.C46=O.N45 |
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