ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
18721 | O=S(=O)(Cc1ccccc1)NCc1ccc2c(c1)OCO2 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccccc1.O=S4(=O)C5.N34.C36 |
18722 | CN(C)c1cccc(NC(=O)c2cc3ccccc3o2)c1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C] | c17cc2ccccc2o1.c15cccc6c1.CN5C.C47=O.N46 |
18723 | Cc1nnc(SCC(=O)NCc2ccccc2)s1 | [C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | Cc1nnc7s1.c16ccccc1.C5C3=O.S57.N34.C46 |
18724 | Cc1nnc(SCC(=O)Nc2ccccc2)s1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | Cc1nnc6s1.c15ccccc1.C4C3=O.S46.N35 |
18725 | Cn1nnnc1SCc1c(Cl)cccc1Cl | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c13c(Cl)cccc1Cl.Cn1nnnc14.S24.C23 |
18726 | CCOC(=O)c1cocc1C(=O)Nc1ccc2ccccc2c1 | [C][C][O][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2ccccc2c1.c17cocc18.C37=O.C48=O.CC5.O35.N46 |
18727 | Cn1nnnc1SCC(=O)c1ccc(Br)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.Cn1nnnc14.C2C3=O.S24 |
18728 | CCOc1ccc(NC(=O)c2ccccc2F)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | c15ccc6cc1.c17ccccc1F.C37=O.CC4.O45.N36 |
18734 | O=C(c1ccccc1Br)N1CCCCC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][C][C][C][Ring1][=Branch1] | c13ccccc1Br.N12CCCCC1.O=C23 |
18735 | CCOC(=O)c1c(C)n(C)c2ccc(OCC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=C][Ring1][=Branch2] | c17c(C)n(C)c2ccc6cc12.C37=O.CC4.O34.O56.C5C |
18738 | CCOC(=O)CSc1nc2ccccc2c(=O)n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | c16nc2ccccc2c(=O)n1C.C3(=O)C5.CC4.O34.S56 |
18739 | CCOC(=O)CSc1nc2ccccc2c(=O)n1CC | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C] | c17nc2ccccc2c(=O)n16.C3(=O)C5.CC4.O34.S57.C6C |
18741 | O=C(c1ccccc1)N1CCC(O)C2CCCCC21 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][O] | N13CCC(O)C2CCCCC21.c14ccccc1.O=C34 |
18743 | CC(=O)Oc1ccc(C(=O)Nc2ccccn2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c16ccccn1.CC3=O.C47=O.O35.N46 |
18744 | CCN(CC)C(=O)c1ccc(-c2ccccc2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | c16ccc7cc1.c17ccccc1.N345.C36=O.CC4.C5C |
18745 | CC(=O)Oc1ccc(C(=O)Nc2nccs2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc7cc1.c16nccs1.CC3=O.C47=O.O35.N46 |
18748 | Cc1cc(C)n(C(=O)c2ccc(Br)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring1][#C] | Cc1cc(C)n(C3=O)n1.c13ccc(Br)cc1 |
18749 | CC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c16cccc(Cl)c1Cl.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
18753 | O=C(c1ccccc1Cl)n1nnc2ccccc21 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C3n1nnc2ccccc21.c13ccccc1Cl |
18754 | Cc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | N14CCn2c1nc1ccccc12.Cc1ccc5cc1.C45=O |
18755 | O=C(c1ccccc1)N1CCCn2c1nc1ccccc12 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCCn2c1nc1ccccc12.c14ccccc1.O=C34 |
18756 | CC(C)(C)c1cn2c3ccccc3nc2n1CCO | [C][C][Branch1][C][C][Branch1][C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=Branch2][N][Ring1][N][C][C][O] | c15cn2c3ccccc3nc2n14.CC5(C)C.C4CO |
18757 | COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=Branch2][N][Ring1][N][C][C][O][C][=C][Ring2][Ring1][Branch1] | c17cn2c3ccccc3nc2n16.c15ccc7cc1.C6CO.CO5 |
18758 | COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=Branch2][N][Ring1][N][C][C][O][C][=C][Ring2][Ring1][Branch1][O][C] | c18cn2c3ccccc3nc2n17.c15ccc8cc16.C7CO.CO5.O6C |
18759 | CCCc1ncc(C(=O)c2ccc(OC)cc2)n1C | [C][C][C][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][#C][C] | c16ncc4n1C.c15ccc3cc1.CCC6.C45=O.O3C |
18760 | COc1ccc(C(O)Cc2nc3ccccc3n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring1] | c15nc2ccccc2n1C.c14ccc6cc1.C6(O)C5.CO4 |
18761 | Cc1cc(-n2nc(C)cc2C)nc(-n2nc(C)cc2C)n1 | [C][C][=C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring2] | Cc1cc3nc4n1.n13nc(C)cc1C.n14nc(C)cc1C |
18762 | COc1ccc(C(=O)Nc2ccccc2Cl)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16ccccc1Cl.C37=O.CO4.N36.O5C |
18763 | COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc9cc16.c17ccc8cc1.C39=O.C4(C)=O.CO5.N37.N48.O6C |
18764 | Cc1ccc(C#N)c(SCc2ccccc2F)n1 | [C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][P] | Cc1ccc(C#N)c5n1.c14ccccc1F.S35.C34 |
18765 | COc1cc(C(=O)N2CCCC2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C] | c14cc7cc5c16.N13CCCC1.C37=O.CO4.O5C.O6C |
18767 | Cc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.c16ccccc1.N345.C3CO.C46 |
18768 | Cc1cccc(C)c1NC(=O)c1cccc(Br)c1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | Cc1cccc(C)c13.c14cccc(Br)c1.C24=O.N23 |
18769 | CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc6cc1.N14CCCCCC1.CC3=O.C46=O.N35 |
18771 | COc1ccc(C(=O)OCC(=O)c2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc7cc16.c18ccccc1.C4C8=O.C37=O.CO5.O34.O6C |
18773 | Cc1ccc(NCc2ccncc2)c(Br)c1 | [C][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][#C] | Cc1ccc4c(Br)c1.c15ccncc1.N34.C35 |
18774 | Cc1nc2ccccc2n1C(=O)c1ccccc1F | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1nc2ccccc2n1C3=O.c13ccccc1F |
18775 | CCC1CCCCN1S(=O)(=O)c1ccccc1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S2(=O)(=O)c1ccccc1.C13CCCCN12.CC3 |
18776 | Cc1nc2sc(-c3ccccc3)nn2c(=O)c1Br | [C][C][N][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Branch1][C][=O][C][=Ring1][S][Br] | Cc1nc2sc4nn2c(=O)c1Br.c14ccccc1 |
18777 | O=S(=O)(c1ccc(Br)cc1)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(Br)cc1.N12CCCCC1 |
18778 | Nc1nc(N)c2sc3nc4c(cc3c2n1)CCCCC4 | [N][C][=N][C][Branch1][C][N][=C][S][C][=N][C][=C][Branch1][O][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring1][=C][C][C][C][C][C][Ring1][O] | Nc1nc(N)c2sc3nc4c(cc3c2n1)CCCCC4 |
18779 | CC(=O)c1cc(C#N)c(SCc2ccccc2C#N)nc1C | [C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][=N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][N][=C][Ring2][Ring1][C][C] | c14cc(C#N)c6nc1C.c15ccccc1C#N.CC4=O.S36.C35 |
18780 | Cc1ccc(C#N)c(SCc2ccccc2C#N)n1 | [C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][Ring2][Ring1][C] | Cc1ccc(C#N)c5n1.c14ccccc1C#N.S35.C34 |
18781 | Cc1ccc2c(N)c(C(=O)c3cccs3)sc2n1 | [C][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][Ring1][=N][=N][Ring1][P] | Cc1ccc2c(N)c4sc2n1.c15cccs1.C45=O |
18782 | O=C(Cn1c(=O)oc2cc(Cl)ccc21)c1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14c(=O)oc2cc(Cl)ccc21.c13ccccc1.O=C3C4 |
18783 | O=c1oc2ccccc2n1CSc1ccc(F)cc1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1oc2ccccc2n13.c14ccc(F)cc1.C3S4 |
18784 | O=C(COc1ccc(Cl)cc1Cl)Nc1ccccn1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccc(Cl)cc1Cl.c15ccccn1.O=C2C3.O34.N25 |
18785 | CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)NC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][C][=C][Ring1][S][Ring1][O] | c18c(C)n(C)c2ccc7cc12.C38=O.C45=O.CC6.O36.O47.N5C |
18787 | COc1ccc(C(=O)Nc2nccs2)cc1Br | [C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][Br] | c14ccc6cc1Br.c15nccs1.C36=O.CO4.N35 |
18788 | CCN(C(=O)c1ccc(OC)c(OC)c1)c1ccccc1 | [C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc3c4c1.c16ccccc1.N256.C27=O.CC5.O3C.O4C |
18791 | Cc1cc(C)n(C(=O)c2ccccc2Br)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][=Ring1][#C] | Cc1cc(C)n(C3=O)n1.c13ccccc1Br |
18793 | O=C(CSc1nc2ccccc2o1)NCCc1ccccc1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2ccccc2o1.c16ccccc1.O=C3C5.C4C6.S57.N34 |
18794 | COc1ccccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c16cc2cc(Cl)ccc2oc1=O.c14ccccc15.C36=O.CO4.N35 |
18795 | CC(=O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][=C][Ring2][Ring1][Branch1] | c17cc2cc(Cl)ccc2oc1=O.c16cccc5c1.CC6=O.C47=O.N45 |
18796 | Cc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | n14c(C)nc(=O)c5c1C.Cc1ccc4cc1.c15ccccc1 |
18797 | CCOc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c19ccc6c7c1.c15ccc8cc1.C39=O.CC4.O45.N38.O6C.O7C |
18798 | COc1ccc(Cc2nnc(NC(C)=O)s2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][C][=N][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][Ring1][=Branch2][C][=C][Ring1][S][O][C] | c14ccc8cc15.c17nnc6s1.C3(C)=O.CO4.C78.N36.O5C |
18799 | CCOc1ccc(-c2nnc(NC(=O)CC)s2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][S][Ring1][#Branch2][C][=C][Ring1][S] | c15ccc7cc1.c17nnc6s1.C3(=O)CC.CC4.O45.N36 |
18806 | Cc1ccccc1NC(=O)C1CC(=O)OC1c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc13.C14CC(=O)OC15.c15ccccc1.C24=O.N23 |
18807 | CC(=O)OC(C#CBr)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][Branch1][Ring2][C][#C][Br][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.C34C#CBr.CC2=O.O23 |
18808 | C#CCC(C)OC(=O)C1C(C)CC2(C)CC1C(=O)O2 | [C][#C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][=Branch1][C][=O][O][Ring1][#Branch1] | C15C(C)CC2(C)CC1C(=O)O2.C#CCC4C.C35=O.O34 |
18809 | Cc1nc(N)nc2c1C(=O)CC(c1ccccc1)C2 | [C][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | Cc1nc(N)nc2c1C(=O)CC3C2.c13ccccc1 |
18811 | NC(=O)CSc1nc2ccccc2n1C1CCCCC1 | [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][Ring1][=Branch1] | c15nc2ccccc2n14.C14CCCCC1.NC(=O)C3.S35 |
18812 | COc1ccccc1OCCn1cnc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n16cnc2ccccc21.c14ccccc15.C3C6.CO4.O35 |
18814 | CCOC(=O)Cc1c(C)nn(-c2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C] | c15c(C)nn6c1C.c16ccccc1.C3(=O)C5.CC4.O34 |
18815 | CCSc1nc2sc3c(c2c(=O)n1C)CCCC3 | [C][C][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][C][Ring1][O] | c15nc2sc3c(c2c(=O)n1C)CCCC3.CC4.S45 |
18816 | CCn1c(SC)nc2sc3c(c2c1=O)CCCC3 | [C][C][N][C][Branch1][Ring1][S][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][O][=O][C][C][C][C][Ring1][=Branch2] | n14c5nc2sc3c(c2c1=O)CCCC3.CC4.S5C |
18817 | Cn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 | [C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=C][=O][C][C][C][C][Ring1][=Branch2] | Cn1c5nc2sc3c(c2c1=O)CCCC3.C4C(N)=O.S45 |
18818 | CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCCC3 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][#C][=O][C][C][C][C][Ring1][=Branch2] | n16c7nc2sc3c(c2c1=O)CCCC3.C5C4=O.CC6.S57.O4C |
18819 | COC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][C][Ring1][O] | c16nc2sc3c(c2c(=O)n1C)CCCC3.C4(=O)C5.CO4.S56 |
18822 | O=C(Cc1ccccc1)NCC1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc1.O=C3C6.N34.C45 |
18823 | CC(CCc1ccccc1)NC(=O)C1COc2ccccc2O1 | [C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc1.CC4CC6.C35=O.N34 |
18824 | C=CCC1(N(Cc2ccccc2)C(C)=O)CCCC1 | [C][=C][C][C][Branch2][Ring1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][C][C][C][C][Ring1][S] | C146CCCC1.c17ccccc1.C=CC6.N345.C3(C)=O.C57 |
18825 | CC(=O)N1Cc2ccccc2C(C)CC12CCCC2 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][N][C][C][C][C][Ring1][Branch1] | N13Cc2ccccc2C(C)CC12CCCC2.CC3=O |
18826 | O=S(=O)(Nc1ccccn1)c1ccccc1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=S2(=O)c1ccccc1Cl.c13ccccn1.N23 |
18829 | COc1ccc(OC)c(C(=O)c2ccc(C(N)=O)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | c13ccc4c5c1.c16ccc7cc1.C56=O.C7(N)=O.CO3.O4C |
18830 | Nc1[nH]nc(-c2ccc(Cl)cc2)c1Br | [N][C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][Br] | Nc1[nH]nc3c1Br.c13ccc(Cl)cc1 |
18832 | CCOC(=O)CCc1nn(CC)c(=O)c2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c16nn5c(=O)c2ccccc12.C3(=O)CC6.CC4.O34.C5C |
18833 | COc1cc(N)c(Cl)cc1NC(=O)c1ccccc1 | [C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cc(N)c(Cl)cc14.c15ccccc1.C25=O.CO3.N24 |
18835 | CCC(=O)NC(C)c1ccc(Br)cc1 | [C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CCC2=O.C34C.N23 |
18838 | Cc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | Cc1ccc(C)c(S3(=O)=O)c1.N13CCOCC1 |
18839 | COc1cc(NC(C)=O)c(OC)cc1NC(C)=O | [C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][N][C][Branch1][C][C][=O] | c14cc6c5cc17.C2(C)=O.C3(C)=O.CO4.N26.O5C.N37 |
18841 | CC(C)N(C(=O)c1ccc(C(=O)NC(C)(C)C)cc1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][Branch1][C][C][C] | c17ccc8cc1.C5(C)(C)C.CC4C.N246.C27=O.C38=O.C6(C)C.N35 |
18842 | COC(=O)c1c(S(N)(=O)=O)c2ccccc2n1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C] | c14c(S(N)(=O)=O)c2ccccc2n1C.C34=O.CO3 |
18843 | Cc1nc2cc(-c3ccccc3)sc2c(=O)n1N | [C][C][=N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][Ring1][S][N] | Cc1nc2cc4sc2c(=O)n1N.c14ccccc1 |
18844 | O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC1 | [O][=S][=Branch1][C][=O][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.N13CCCC1 |
18845 | CCOC(=O)c1sc2ncn(N)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][C][N][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C] | c15sc2ncn(N)c(=O)c2c1C.C35=O.CC4.O34 |
18846 | O=C(NC1CC1)C1CC(=O)N(c2ccc(Br)cc2)C1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(Br)cc1.O=C35.C14CC1.N34 |
18848 | Cc1[nH]nc(O)c1C(c1cccc(F)c1)C(C#N)C#N | [C][C][NH1][N][=C][Branch1][C][O][C][=Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][C][#N] | Cc1[nH]nc(O)c12.C23C(C#N)C#N.c13cccc(F)c1 |
18854 | COC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][S] | c15cccc(S4(=O)=O)c1.N14CCC(C)CC1.C35=O.CO3 |
18855 | Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c16cccc(S4(=O)=O)c1.Cc1ccccc15.N14CCCC1.C36=O.N35 |
18859 | Brc1ccc(-c2nnc(-c3ccncc3)o2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | Brc1ccc4cc1.c14nnc5o1.c15ccncc1 |
18860 | CCOC(=O)c1ncn2c(=O)c3c(C(=O)OCC)ncn3c(=O)c12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][N][=C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][Ring1][S] | c18ncn2c(=O)c3c9ncn3c(=O)c12.C48=O.C59=O.CC6.O46.O57.C7C |
18861 | N#Cc1sc2nccc(Nc3ccccc3)c2c1N | [N][#C][C][S][C][=N][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=Ring1][S][N] | N#Cc1sc2nccc4c2c1N.c15ccccc1.N45 |
18862 | COc1cc(C#N)c(Br)c(Br)c1O | [C][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][#Branch2][O] | c12cc(C#N)c(Br)c(Br)c1O.CO2 |
18863 | COc1cc(C#N)c(Br)c(Br)c1OC | [C][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][#Branch2][O][C] | c12cc(C#N)c(Br)c(Br)c13.CO2.O3C |
18864 | CCOc1cc(C#N)c(Br)c(Br)c1OC | [C][C][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][#Branch2][O][C] | c13cc(C#N)c(Br)c(Br)c14.CC2.O23.O4C |
18865 | Cc1c(C#N)c2ncnc(-c3ccccc3)c2n1-c1ccccc1 | [C][C][=C][Branch1][Ring1][C][#N][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c(C#N)c2ncnc5c2n14.c15ccccc1.c14ccccc1 |
18866 | CC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(N)(=O)=O)cc2s1.CC3=O.N34 |
18867 | Cc1[nH]nc(O)c1C(c1ccc(F)cc1)C(C#N)C#N | [C][C][NH1][N][=C][Branch1][C][O][C][=Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][C][#N] | Cc1[nH]nc(O)c12.C23C(C#N)C#N.c13ccc(F)cc1 |
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