ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
24885 | Cc1cccc(C)c1NC(=O)OCCc1ccccn1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cccc(C)c15.c16ccccn1.C23=O.C4C6.N35.O24 |
24886 | Cc1cc(C)c(NC(=O)OCc2cccnc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c6c(C)c1.c17cccnc1.C34=O.N46.O35.C57 |
24887 | c1ccc(-n2nc(-c3ccccn3)cc2-c2ccco2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | n14nc5cc16.c1ccc4cc1.c15ccccn1.c16ccco1 |
24888 | Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 | [N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Nc1nc3nc4n1.N13CCOCC1.N14CCOCC1 |
24889 | N#Cc1cc(Oc2ccc(N)c(C#N)c2)ccc1N | [N][#C][C][=C][C][Branch1][P][O][C][=C][C][=C][Branch1][C][N][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][C][=C][Ring1][S][N] | N#Cc1cc3ccc1N.c14ccc(N)c(C#N)c1.O34 |
24890 | CN(C(=O)c1ccccc1Br)c1ccc(O)cc1 | [C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccccc1Br.c13ccc(O)cc1.CN23.C24=O |
24891 | O=S(=O)(CCS(=O)(=O)c1ccccc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(CCS(=O)(=O)c1ccccc1)c1ccccc1 |
24893 | CCOC(C)(OCC)C(O)(c1ccccc1)c1ccccc1 | [C][C][O][C][Branch1][C][C][Branch1][Ring2][O][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C34(C)C67O.c16ccccc1.c17ccccc1.CC2.O23.O45.C5C |
24894 | CC(=O)Nc1c(C)cc(Br)c(C)c1Br | [C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][=Branch2][Br] | c13c(C)cc(Br)c(C)c1Br.CC2=O.N23 |
24897 | COc1cccc(C#CC2(O)CCCC3C(=O)CCCC32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][#C][C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][Ring1][N][=C][Ring2][Ring1][Ring2] | c14cccc(C#CC2(O)CCCC3C(=O)CCCC32)c1.CO4 |
24898 | COc1ccc(C(=O)C2COC(=O)C2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][O][C][=Branch1][C][=O][C][Ring1][=Branch1][C][=C][Ring1][=C][O][C] | c13ccc6cc14.C15COC(=O)C1.C56=O.CO3.O4C |
24899 | COC(=O)c1cc(OC)c(OC)c(OCc2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c18cc5c6c7c1.c19ccccc1.C38=O.CO3.O5C.O6C.O47.C49 |
24901 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(O)c1 | [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][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2] | C2(=O)C1=C(C)NC(=O)NC14.c14ccc3c(O)c1.CO2.O3C |
24902 | COc1cc(COC(C)=O)c(C)c(COC(C)=O)c1 | [C][O][C][=C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][=C][Branch1][C][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][=C][Ring1][P] | c16cc7c(C)c8c1.C2(C)=O.C3(C)=O.CO6.C47.O24.C58.O35 |
24904 | Cc1nc2ccc(Br)cn2c(=O)c1C(=O)c1ccccc1 | [C][C][N][=C][C][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ccc(Br)cn2c(=O)c13.c14ccccc1.C34=O |
24906 | Cc1nn(-c2ccccc2)nc1C(=O)N1CCCC1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1nn5nc14.c15ccccc1.N13CCCC1.C34=O |
24907 | COc1cc(Br)c(CC#N)c(Br)c1 | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][Ring2][C][C][#N][C][Branch1][C][Br][=C][Ring1][O] | c12cc(Br)c3c(Br)c1.C3C#N.CO2 |
24908 | CCOC(=O)c1cc(C(=O)OCC)c(C)cc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][=C][Ring1][N][C] | c16cc7c(C)cc1C.C26=O.C37=O.CC4.O24.O35.C5C |
24911 | CC(=O)Oc1cc(Br)c(C)cc1Br | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][C][C][=C][Ring1][Branch2][Br] | c13cc(Br)c(C)cc1Br.CC2=O.O23 |
24912 | CC(=O)NC1c2ccccc2C(C)(C)C12CCC(=O)CC2 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][O][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1] | N3C1c2ccccc2C(C)(C)C12CCC(=O)CC2.CC3=O |
24913 | O=C(Nc1c(Cl)cccc1Cl)Oc1cccnc1 | [O][=C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15c(Cl)cccc1Cl.c14cccnc1.O=C23.N35.O24 |
24914 | COc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][C][Ring1][Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][Branch1] | N15CCn2c1nc1c2c(=O)[nH]c(=O)n1C.c14ccc5cc1.CO4 |
24915 | CCOC(=O)c1cc(CC)c(N)c(C(=O)OCC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][C][N][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][=C] | c16cc7c(N)c8c1.C26=O.C37=O.CC4.O24.C8C.O35.C5C |
24916 | COC(=O)c1cc(Br)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O] | c14cc5cc(Br)c1.C24=O.C35=O.CO2.O3C |
24917 | COCc1cc(Br)c(COC)cc1Br | [C][O][C][C][=C][C][Branch1][C][Br][=C][Branch1][Ring2][C][O][C][C][=C][Ring1][#Branch2][Br] | c14cc(Br)c5cc1Br.CO2.C24.C35.O3C |
24919 | COc1ccc(C(C#N)OC(C)=O)cc1OC(C)=O | [C][O][C][=C][C][=C][Branch1][N][C][Branch1][Ring1][C][#N][O][C][Branch1][C][C][=O][C][=C][Ring1][=N][O][C][Branch1][C][C][=O] | c15ccc7cc16.C47C#N.C2(C)=O.C3(C)=O.CO5.O24.O36 |
24920 | COc1ccc(CC(N)=O)cc1OCc1ccccc1 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc5cc14.c16ccccc1.C5C(N)=O.CO3.O24.C26 |
24922 | O=C1OC(c2ccccc2)CC1C(=O)c1ccccc1 | [O][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1OC5CC13.c15ccccc1.c14ccccc1.C34=O |
24923 | C=CCc1cc2c(C)cc(=O)oc2c(C)c1OC(C)=O | [C][=C][C][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][Branch1][C][C][=C][Ring1][=N][O][C][Branch1][C][C][=O] | c15cc2c(C)cc(=O)oc2c(C)c14.C=CC5.C3(C)=O.O34 |
24924 | Cc1c(Br)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C] | Cc1c(Br)c(=O)n3n1C.c13ccccc1 |
24927 | COc1cc(NS(=O)(=O)c2ccccc2)ccc1C | [C][O][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][C] | S4(=O)(=O)c1ccccc1.c13cc5ccc1C.CO3.N45 |
24928 | COC(=O)CCCC(c1ccc(O)cc1)c1ccc(O)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C2(=O)CCCC34.c13ccc(O)cc1.c14ccc(O)cc1.CO2 |
24929 | CC(=O)NCc1c(C)c(C)c(CNC(C)=O)c(C)c1C | [C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][=C][Ring1][=C][C] | c16c(C)c(C)c7c(C)c1C.CC2=O.C3(C)=O.N24.C46.C57.N35 |
24930 | Cc1cc2nc(C(O)c3ccccc3)[nH]c2cc1C | [C][C][=C][C][N][=C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][=N][C][=C][Ring1][P][C] | Cc1cc2nc4[nH]c2cc1C.c15ccccc1.C45O |
24931 | Cc1ccc(S(=O)(=O)N(CCO)CC(C)O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][Branch1][C][C][O][C][=C][Ring1][P] | Cc1ccc(S4(=O)=O)cc1.C3C(C)O.N234.C2CO |
24935 | Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 |
24936 | CC(=O)Nc1ccc(Br)c2ccccc12 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c14ccc(Br)c2ccccc12.CC3=O.N34 |
24937 | CCNS(=O)(=O)c1ccc2c(c1)nc(SC)n2CC | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][Ring1][S][C][N][Ring1][Branch2][C][C] | S4(=O)(=O)c1ccc2c(c1)nc6n25.CC3.N34.S6C.C5C |
24939 | CCN(CC)C(=O)CS(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C2(=O)CS(=O)(=O)c1ccc(C)cc1.N234.CC3.C4C |
24941 | O=C(NC(Cc1ccccc1)c1ccccc1)c1ccccn1 | [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccccc1.c15ccccc1.c14ccccn1.C35C6.O=C24.N23 |
24942 | COc1cc(-c2cc(OC)c(O)c(OC)c2)cc(OC)c1O | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O] | c13cc7cc6c1O.c17cc4c(O)c5c1.CO3.O4C.O5C.O6C |
24944 | COc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c13ccc(S(=O)(=O)c2ccc(F)cc2)cc1.CO3 |
24946 | Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1 | [N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=N][Ring1][P] | c14ccc(S(N)(=O)=O)cc1.Nc1cc3ncn1.N34 |
24947 | COc1ccc(COC(=O)Oc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc8cc1.c17ccccc1.C34=O.CO6.C58.O35.O47 |
24949 | CCNS(=O)(=O)c1ccc2c(c1)nc(C)n2CC | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][C] | S4(=O)(=O)c1ccc2c(c1)nc(C)n25.CC3.N34.C5C |
24950 | Cc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | Cc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 |
24951 | CCC(O)(c1ccc(O)cc1)C(O)(CC)c1ccc(O)cc1 | [C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | CCC2(O)C3(O)CC.c12ccc(O)cc1.c13ccc(O)cc1 |
24954 | CN(C)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][=Branch2] | S2(=O)(=O)c1cc(Cl)c(N)c(Cl)c1.CN2C |
24955 | COc1ccc(CNc2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][O][C] | c13ccc7cc14.c16ccc(C)cc1.CO3.C57.N56.O4C |
24956 | CN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | S2(=O)(=O)c1ccc(Cl)c(Cl)c1.CN2C |
24957 | Cc1cc(N)c(NCC(O)C(O)C(O)CO)cc1C | [C][C][=C][C][Branch1][C][N][=C][Branch1][P][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O][C][=C][Ring1][P][C] | Cc1cc(N)c3cc1C.C2C(O)C(O)C(O)CO.N23 |
24958 | CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccco2)c(O)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][O][=C][Ring1][#C] | c15ccc6c(O)c1.CC(C)(C)C3=O.c17ccco1.C47=O.N35.N46 |
24959 | COc1ccc(CNc2cccc(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C][O][C] | c13ccc7cc14.c16cccc(Cl)c1.CO3.C57.N56.O4C |
24963 | Nc1cc(O)c(NS(=O)(=O)c2ccccc2)cc1Cl | [N][C][=C][C][Branch1][C][O][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | Nc1cc(O)c4cc1Cl.S3(=O)(=O)c1ccccc1.N34 |
24964 | COc1ccc(CNc2cccc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][O][C] | c13ccc7cc14.c16cccc(C)c1.CO3.C57.N56.O4C |
24965 | Cc1ccc(NC(=O)N(C)C)cc1NC(=O)N(C)C | [C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][N][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1ccc6cc17.C23=O.N3(C)C.C45=O.N5(C)C.N26.N47 |
24966 | CCOC(=O)C(CCc1ccccn1)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C5CC4.c14ccccn1.c15ccccc1.CC3.O23 |
24967 | COC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc6cc1.c17ccccc1.C34=O.C67=O.CO3.N45 |
24968 | CC(C)NC(=O)Nc1ccc(Br)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.CC4C.C23=O.N24.N35 |
24970 | COc1ccccc1NC(=O)Oc1cccc2cccnc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2cccnc12.c15ccccc17.C34=O.CO5.N47.O36 |
24974 | COc1ccc(NC(=O)OCc2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c19ccc2c(c1)OCO2.c17ccc8cc1.C45=O.CO7.N58.O46.C69 |
24978 | Nc1cc(O)c(NC(=O)c2ccco2)cc1Cl | [N][C][=C][C][Branch1][C][O][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][Cl] | Nc1cc(O)c4cc1Cl.c15ccco1.C35=O.N34 |
24980 | Cc1cccc(NC(=O)Oc2cccc3cccnc23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c16cccc2cccnc12.Cc1cccc7c1.C45=O.N57.O46 |
24981 | O=C(Nc1ccccc1)OCc1ccc2c(c1)OCO2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c16ccccc1.O=C34.N46.O35.C57 |
24982 | CCN(CC)C(=O)NS(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S6(=O)(=O)c1ccc(C)cc1.N245.C23=O.CC4.C5C.N36 |
24983 | Cc1ccccc1NC(=O)Oc1cccc2cccnc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2cccnc12.Cc1ccccc16.C34=O.N46.O35 |
24985 | CC(=O)Nc1ccc(C2NC(=O)c3ccccc3O2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | C16NC(=O)c2ccccc2O1.c15ccc6cc1.CC4=O.N45 |
24988 | O=C(Nc1cc(Cl)ccc1Cl)Oc1cccnc1 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cc(Cl)ccc1Cl.c14cccnc1.O=C23.N35.O24 |
24991 | COc1cccc(NC(=O)Oc2cccc3cccnc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c17cccc2cccnc12.c16cccc8c1.C45=O.CO6.N58.O47 |
24992 | CCN(CCO)C(=O)Nc1cc(Cl)ccc1C | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C] | c16cc(Cl)ccc1C.N245.C5CO.C23=O.CC4.N36 |
24993 | CC(O)CNC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.CC(O)C4.C23=O.N24.N35 |
24994 | COc1ccc(OC)c(NC(=O)N(C(C)C)C(C)C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C] | c14ccc5c8c1.C23=O.N367.C6(C)C.C7(C)C.CO4.O5C.N28 |
24996 | CCN(CC)C(=O)Nc1cc(OC)ccc1OC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | c18cc4ccc15.N267.C23=O.CC6.C7C.N38.O4C.O5C |
24997 | CCCN(CCC)C(=O)Nc1cc(OC)ccc1OC | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | c18cc4ccc15.CCC6.N267.C7CC.C23=O.N38.O4C.O5C |
24998 | COc1ccc(OC)c(NC(=O)Oc2cccnc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c15ccc6c8c1.c17cccnc1.C34=O.CO5.O6C.N48.O37 |
25001 | Cc1ccc(NC(=O)Oc2cccnc2)cc1Cl | [C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S][Cl] | Cc1ccc6cc1Cl.c15cccnc1.C34=O.N46.O35 |
25003 | COc1cccc(NC(=O)N(C(C)C)C(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][Ring1][S] | c14cccc7c1.C23=O.N356.C5(C)C.C6(C)C.CO4.N27 |
25004 | CCCN(CCC)C(=O)Nc1cccc(OC)c1 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c17cccc4c1.CCC5.N256.C6CC.C23=O.N37.O4C |
25007 | Cc1ccc(Cl)cc1NC(=O)N1CCOCC1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1ccc(Cl)cc14.N13CCOCC1.C23=O.N24 |
25008 | O=C(Nc1ccc(F)cc1)Oc1cccc2cccnc12 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2cccnc12.c16ccc(F)cc1.O=C34.N46.O35 |
25010 | O=C(Nc1cccc(Cl)c1Cl)N1CCOCC1 | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14cccc(Cl)c1Cl.N13CCOCC1.O=C23.N24 |
25011 | O=C(Nc1c(Cl)cccc1Cl)N1CCOCC1 | [O][=C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14c(Cl)cccc1Cl.N13CCOCC1.O=C23.N24 |
25014 | O=C(Nc1cc(Cl)ccc1Cl)N1CCOCC1 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14cc(Cl)ccc1Cl.N13CCOCC1.O=C23.N24 |
25016 | O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cccnc1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc(Cl)c(Cl)c1.c14cccnc1.O=C23.N35.O24 |
25017 | Cc1ccc(NC(=O)Oc2cccc3cccnc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c16cccc2cccnc12.Cc1ccc7cc1.C45=O.N57.O46 |
25018 | N#Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3 | [N][#C][C][=C][C][=C][C][=C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][C][C][N][Ring1][#Branch2][C][C][C][Ring1][=C] | N#Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3 |
25019 | CC(NC(=O)c1ccccc1N)c1ccc(F)cc1 | [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc1N.c15ccc(F)cc1.CC35.C24=O.N23 |
25020 | O=C(CSc1nnnn1-c1ccccc1)Nc1ccccn1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nnnn15.c15ccccc1.c14ccccn1.O=C2C3.S36.N24 |
25021 | Cn1cnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | c17ccc4cc1.Cn1cnnc18.c15ccccc1.C6C3=O.S68.N37.O45 |
25022 | Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | c17ccc4cc1.Cn1nnnc18.c15ccccc1.C6C3=O.S68.N37.O45 |
25023 | O=C(COc1ccccc1)NCc1ccccc1Cl | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc1Cl.c14ccccc1.O=C2C3.O34.N25.C56 |
25024 | CC(C)(CO)NC(=O)c1ccc(Cl)c(Cl)c1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.CC3(C)CO.C24=O.N23 |
25025 | O=C(NCc1ccccc1Cl)Nc1ccccc1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1Cl.c15ccccc1.O=C23.N24.C46.N35 |
25026 | c1coc(-c2nc3cccnc3nc2-c2ccco2)c1 | [C][=C][O][C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c14nc2cccnc2nc15.c1coc4c1.c15ccco1 |
25027 | CCOC(=O)C1=C(C)NC(N)=C(C(=O)OCC)C1c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | C2(=O)C1=C(C)NC(N)=C(C3=O)C16.c16ccco1.CC4.O24.O35.C5C |
25028 | CCOC(=O)c1c[nH]c2ccc3nc(C)sc3c2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][=C][=O] | c16c[nH]c2ccc3nc(C)sc3c2c1=O.C46=O.CC5.O45 |
25030 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(C)c1 | [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][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2] | C2(=O)C1=C(C)NC(=O)NC14.c14ccc3c(C)c1.CO2.O3C |
25031 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(C)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][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc4c(C)c1.CC3.O23.O4C |
25032 | O=C(Nc1cccc(Br)c1)c1ccco1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] | c13cccc(Br)c1.c14ccco1.O=C24.N23 |
25034 | O=C(COc1ccccc1O)N1CCCc2ccccc21 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.c15ccccc1O.O=C3C4.O45 |
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