ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1923909 | Cc1ccc(-c2nnc(CCC(=O)N3CCC(C)(F)C3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][F][C][Ring1][#Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.N14CCC(C)(F)C1.c16nnc5o1.C5CC4=O |
1923910 | CSc1cc(NC(=O)C2CC2c2ccc(F)cc2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=N][Ring2][Ring1][Ring1] | c16cc4ccn1.c17ccc(F)cc1.C15CC17.C35=O.CS6.N34 |
1923911 | CSc1cc(NC(=O)c2ccnc(-n3cncn3)c2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][=C][C][=N][Ring2][Ring1][Ring2] | c18cc5ccn1.c16ccnc7c1.n17cncn1.C46=O.CS8.N45 |
1923912 | CSc1cc(NC(=O)Cc2cn3ccsc3n2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][=C][C][=N][Ring2][Ring1][C] | c16cn2ccsc2n1.c17cc5ccn1.C4(=O)C6.CS7.N45 |
1923913 | Cc1cc(OCc2nnc(-c3ccc(C#N)cc3)o2)nn1C | [C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][O][Ring1][=N][=N][N][Ring2][Ring1][Ring2][C] | c17ccc(C#N)cc1.Cc1cc5nn1C.c16nnc7o1.O45.C46 |
1923915 | CCC(C)(C)CSc1nnc(N(C(C)=O)C2CC2)s1 | [C][C][C][Branch1][C][C][Branch1][C][C][C][S][C][=N][N][=C][Branch1][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C][Ring1][Ring1][S][Ring1][N] | CCC(C)(C)C4.c17nnc5s1.N356.C3(C)=O.C16CC1.S47 |
1923916 | CC(CC(=O)c1ccc(F)cc1)NC(=O)c1ccncc1F | [C][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F] | c14ccc(F)cc1.c15ccncc1F.CC3CC4=O.C25=O.N23 |
1923918 | COC(=O)C1(NCc2cnc(-c3ccc(Cl)cc3)nc2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][N][C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][C][Ring2][Ring1][C] | c18cnc9nc1.c19ccc(Cl)cc1.C157CC1.C47=O.CO4.N56.C68 |
1923919 | CC1(C)COC(=O)C1OC(=O)c1cncc2ccccc12 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cncc2ccccc12.CC1(C)COC(=O)C14.C35=O.O34 |
1923920 | O=C(NCCc1ccc2c(c1)OCO2)c1ncn(-c2ccccc2)n1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | c16ccc2c(c1)OCO2.c15ncn7n1.c17ccccc1.O=C35.C4C6.N34 |
1923921 | CCn1ccc(=O)c(NC(=O)CCc2ccccc2O)c1 | [C][C][N][C][=C][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring2][Ring1][Ring1] | n15ccc(=O)c4c1.c16ccccc1O.C3(=O)CC6.CC5.N34 |
1923922 | O=C(c1ccc2c(c1)CCCC2)N1CCOCC1c1ncon1 | [O][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][N][=C][O][N][=Ring1][Branch1] | c14ccc2c(c1)CCCC2.N13CCOCC15.c15ncon1.O=C34 |
1923923 | CCN1CCOCC1C(=O)NCc1ccccc1Cn1cccn1 | [C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1] | N13CCOCC15.c17ccccc18.n16cccn1.C25=O.CC3.N24.C47.C68 |
1923924 | COCCOc1cccc(C(=O)N2CCCc3cccc(O)c32)c1 | [C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][O][=C][Ring2][Ring1][Ring1] | N14CCCc2cccc(O)c21.c17cccc8c1.C5C6.C48=O.CO5.O67 |
1923925 | COCC(C)(NC(=O)C(C)CN1CCOCC1)c1ccccc1 | [C][O][C][C][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C(C)C5.N15CCOCC1.c16ccccc1.C3C46C.CO3.N24 |
1923926 | COc1ccc(-c2noc(=O)n2CCc2csc(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c13ccc7cc14.c17noc(=O)n15.c16csc(C)n1.C5C6.CO3.O4C |
1923927 | O=S(=O)(Cc1cccc(F)c1)NCc1ccncc1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cccc(F)c1.c15ccncc1.O=S3(=O)C4.N23.C25 |
1923928 | O=C(NCCC1CCCCC1)c1cccc(-c2ncn[nH]2)c1 | [O][=C][Branch1][N][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=N][NH1][Ring1][Branch1][=C][Ring1][O] | c15cccc7c1.C16CCCCC1.c17ncn[nH]1.O=C35.C4C6.N34 |
1923929 | Cn1cnnc1-c1ccccc1NC(=O)c1cc(F)cc2cccnc12 | [C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(F)cc2cccnc12.c16ccccc14.Cn1cnnc16.C35=O.N34 |
1923930 | Cc1c(C(=O)NC2CC(C)OC(C)C2)cnn1-c1ccccc1F | [C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C14CC(C)OC(C)C1.Cc1c5cnn16.c16ccccc1F.C35=O.N34 |
1923932 | CC(C)CC(C)(NC(=O)c1cc(F)cc2cccnc12)C(N)=O | [C][C][Branch1][C][C][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][Branch1][C][N][=O] | c15cc(F)cc2cccnc12.CC(C)CC4(C)C(N)=O.C35=O.N34 |
1923933 | Cc1ccc(S(N)(=O)=O)c(C(=O)N(CC2CC2)c2ccccc2)c1 | [C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S(N)(=O)=O)c6c1.c15ccccc1.C36=O.N345.C17CC1.C47 |
1923934 | COc1ccc(CCn2cc(Br)c(OC)cc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=C][Branch1][C][Br][C][Branch1][Ring1][O][C][=C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][C] | n15cc(Br)c4cc1=O.c13ccc6cc1.C6C5.CO3.O4C |
1923935 | CCCc1csc(NC(=O)c2cc(C)nn2C)n1 | [C][C][C][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=N][Ring1][#C] | c15cc(C)nn1C.c16csc4n1.CCC6.C35=O.N34 |
1923936 | CC(COc1ccc(F)cc1)NC(=O)N1CCCC1c1nncn1C | [C][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][C] | c15ccc(F)cc1.N13CCCC17.c17nncn1C.CC6C4.C23=O.O45.N26 |
1923937 | Cc1cc(C(C)NC(=O)N2CCCC3(C2)OCCO3)c(C)o1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][=C][Branch1][C][C][O][Ring2][Ring1][Branch1] | N15CCCC2(C1)OCCO2.Cc1cc7c(C)o1.C67C.C45=O.N46 |
1923938 | CCOC(=O)c1[nH]ncc1CN1CCN(C(=O)c2ccncc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | N16CCN4CC1.c17[nH]ncc19.c18ccncc1.C37=O.C48=O.CC5.O35.C69 |
1923939 | CN(Cc1cccs1)C(=O)COc1ccc2[nH]ccc2c1 | [C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | c15ccc2[nH]ccc2c1.c17cccs1.C3(=O)C4.CN36.C67.O45 |
1923941 | COc1ccccc1C(C#N)NC(=O)C(OC)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.c17ccccc1.C2(=O)C37.C56C#N.CO4.N25.O3C |
1923942 | COc1ccc(CN2Cc3ccccc3CC2C(N)=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2][O][C] | N16Cc2ccccc2CC17.c14ccc8cc15.C7(N)=O.CO4.C68.O5C |
1923943 | NC(=O)c1ccc(CN2Cc3ccccc3CC2C(N)=O)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2] | N14Cc2ccccc2CC15.c16ccc7cc1.NC6=O.C5(N)=O.C47 |
1923944 | CCOc1ccc(CN2Cc3ccccc3CC2C(N)=O)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2][O][C] | N17Cc2ccccc2CC18.c15ccc9cc16.C8(N)=O.CC4.O45.C79.O6C |
1923945 | c1ccc(OCc2noc(-c3ccn4ccnc4c3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=N][O][C][Branch1][=C][C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][=N][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c18ccn2ccnc2c1.c1ccc6cc1.c17noc8n1.O56.C57 |
1923946 | CNS(=O)(=O)c1ccc(NCCCc2nc(C)cs2)c(F)c1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][P] | S4(=O)(=O)c1ccc5c(F)c1.c16nc(C)cs1.C3CC6.CN4.N35 |
1923947 | CN(CCN(C)C(=O)c1ccc2ccccc2n1)C(=O)OC(C)(C)C | [C][N][Branch2][Ring1][=Branch2][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | c19ccc2ccccc2n1.C6(C)(C)C.CN57.C7C8.N48C.C49=O.C35=O.O36 |
1923948 | Cc1nc(C(=O)NCc2ncn(C)n2)nn1-c1ccc(F)cc1 | [C][C][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=N][N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nc5nn17.c17ccc(F)cc1.c16ncn(C)n1.C35=O.N34.C46 |
1923949 | Cn1ncn(CCOc2ccccc2Cl)c1=O | [C][N][N][=C][N][Branch1][=N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][#C][=O] | Cn1ncn5c1=O.c14ccccc1Cl.C5C3.O34 |
1923950 | CC(=O)Nc1cc(NCC[S+]([O-])c2ccccc2)ccc1F | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][N][C][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][F] | C4C[S+]([O-])c1ccccc1.c15cc6ccc1F.CC3=O.N35.N46 |
1923951 | Cc1ccc(CCNc2cccc(-n3nnnc3C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=C][C][=C][C][Branch1][=Branch2][N][N][=N][N][=C][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c15cccc7c1.n17nnnc1C.C6C4.N45 |
1923952 | COc1cc(C)c(S(=O)(=O)N2CC(O)C(O)C2)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch1][C][=C][Ring1][P][C] | c13cc(C)c(S4(=O)=O)cc1C.N14CC(O)C(O)C1.CO3 |
1923953 | CC1CCC(CO)CN1S(=O)(=O)Cc1ccccc1 | [C][C][C][C][C][Branch1][Ring1][C][O][C][N][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1CCC3CN12.c14ccccc1.S2(=O)(=O)C4.C3O |
1923954 | CCOC(=O)c1cccc(S(=O)(=O)N2CC(O)CC2CO)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][O][=C][Ring1][P] | c16cccc(S5(=O)=O)c1.N15CC(O)CC17.C36=O.CC4.O34.C7O |
1923955 | O=C(OCc1cn2cc(Cl)ccc2n1)c1ccn2cncc2c1 | [O][=C][Branch2][Ring1][Ring1][O][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c16cn2cc(Cl)ccc2n1.c15ccn2cncc2c1.O=C35.O34.C46 |
1923956 | CCN1CCOCC1C(=O)OCc1nc(C)c(C)s1 | [C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1] | N14CCOCC15.c16nc(C)c(C)s1.C25=O.CC4.O23.C36 |
1923957 | O=C1CCC(C(=O)Nc2cccc3c2CCN(CC(F)(F)F)C3)N1 | [O][=C][C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][N][Ring2][Ring1][#Branch1] | c16cccc2c1CCN5C2.O=C1CCC7N1.C5C(F)(F)F.C47=O.N46 |
1923958 | C=CCN1CCN(C(C#N)c2ccc(Br)cc2)CC1 | [C][=C][C][N][C][C][N][Branch1][P][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N13CCN4CC1.c15ccc(Br)cc1.C45C#N.C=CC3 |
1923959 | CC(Cn1cccn1)NCc1nnc(C(=O)Nc2ccccc2)s1 | [C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][=N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=C] | c19nnc7s1.c16ccccc1.n18cccn1.CC4C8.C37=O.N45.C59.N36 |
1923960 | CCOC(=O)c1cnc(C)c(NC(=O)NCc2nncn2C)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c19cnc(C)c8c1.c1%10nncn1C.C39=O.C45=O.CC6.O36.N48.N57.C7%10 |
1923961 | Cc1ccn(C)c(=O)c1NC(=O)N1CCCC1C(C)(C)O | [C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O] | Cc1ccn(C)c(=O)c14.N13CCCC15.C5(C)(C)O.C23=O.N24 |
1923963 | CC1(C)Cc2cc(CNc3cnn(CC(=O)NCCO)c3)ccc2O1 | [C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][C][=N][N][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][=Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][Branch2] | CC1(C)Cc2cc9ccc2O1.c17cnn8c1.C8C4=O.C6CO.C59.N57.N46 |
1923964 | Cc1c(NCc2ccc3c(c2)OCCO3)cnn1-c1ccccc1F | [C][C][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccc2c(c1)OCCO2.Cc1c5cnn17.c17ccccc1F.N45.C46 |
1923965 | COC(=O)C1(NC(=O)Nc2nc(C)c(C)s2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][C][Ring1][=C] | c17nc(C)c(C)s1.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1923966 | COC(=O)C1(NC(=O)Nc2ccccc2OC)CC1 | [C][O][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][#C] | c18ccccc16.C179CC1.C39=O.C45=O.CO3.N47.N58.O6C |
1923967 | COC(=O)c1ccc(S(=O)(=O)N=c2cccc[nH]2)cn1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][C][=C][NH1][Ring1][=Branch1][C][=N][Ring1][S] | c14ccc(S(=O)(=O)N=c2cccc[nH]2)cn1.C34=O.CO3 |
1923968 | CC1CC(NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CCO1 | [C][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][C][O][Ring2][Ring1][=Branch1] | CC1CC9CCO1.c17ccc8cc1.C45=O.C6%10=O.C1%10CC1.N49.N57.N68 |
1923969 | O=C(Nc1cccc2cccnc12)N1CCCCC1c1nc[nH]n1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1] | c15cccc2cccnc12.N14CCCCC16.c16nc[nH]n1.O=C34.N35 |
1923970 | CC1Cc2cc(F)ccc2C(C)N1Cc1cccc(C(=O)N(C)C)c1 | [C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Branch1][C][C][N][Ring1][N][C][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O] | CC1Cc2cc(F)ccc2C(C)N14.c16cccc5c1.C35=O.N3(C)C.C46 |
1923971 | COC(=O)C1(O)CCN(C(=O)CCC(=O)c2cccs2)CC1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][C] | C16(O)CCN4CC1.C4(=O)CCC5=O.c15cccs1.C36=O.CO3 |
1923973 | COC(=O)C(OC(=O)C1CC1c1cc(F)ccc1F)C1CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][C][C][Ring1][Ring1] | c17cc(F)ccc1F.C2(=O)C46.C15CC17.C35=O.C16CC1.CO2.O34 |
1923974 | Cn1cc(COC(=O)c2ccc(-n3ccnc3)cc2)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=N][Ring2][Ring1][Ring2] | c16ccc8cc1.Cn1cc7cn1.n18ccnc1.C46=O.C57.O45 |
1923975 | CCn1c(C(=O)N2CC(=O)Nc3c(C)ccnc32)cc2ccccc21 | [C][C][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][N][=C][Ring1][#Branch1][Ring1][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | N14CC(=O)Nc2c(C)ccnc21.n16c5cc2ccccc21.C45=O.CC6 |
1923976 | O=C(NC(CO)CC1CCCC1)c1c(F)cccc1Cl | [O][=C][Branch1][#C][N][C][Branch1][Ring1][C][O][C][C][C][C][C][C][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c14c(F)cccc1Cl.C3(C5)CO.C15CCCC1.O=C24.N23 |
1923977 | O=C(COc1ccc(Cl)cc1)NC(CO)CC1CCCC1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][Branch1][Ring1][C][O][C][C][C][C][C][C][Ring1][Branch1] | c14ccc(Cl)cc1.C5(C6)CO.C16CCCC1.O=C2C3.O34.N25 |
1923978 | O=C(CCCOc1ccc(F)cc1)Nc1cnn(-c2ccccc2)n1 | [O][=C][Branch1][S][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | c15ccc(F)cc1.O=C3CCC4.c16cnn7n1.c17ccccc1.O45.N36 |
1923979 | O=C(CCN1CCCC1=O)Nc1cnn(-c2ccccc2)n1 | [O][=C][Branch1][O][C][C][N][C][C][C][C][Ring1][Branch1][=O][N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | N15CCCC1=O.c14cnn6n1.c16ccccc1.O=C3CC5.N34 |
1923980 | CCCCOCC(=O)N1CCCCC1c1nc[nH]n1 | [C][C][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1] | N12CCCCC15.c15nc[nH]n1.CCCC3.C4C2=O.O34 |
1923981 | Cc1cc(-n2c(C)cc(C(=O)N3CCCC3(C)CCCO)c2C)no1 | [C][C][=C][C][Branch2][Ring2][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][C][O][=C][Ring2][Ring1][C][C][=N][O][Ring2][Ring1][Branch2] | n17c(C)cc5c1C.N14CCCC16C.Cc1cc7no1.C6CCO.C45=O |
1923982 | Cc1nc2ccccc2n(CCCNC(=O)C2CC=CC2)c1=O | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][Ring2][Ring1][Branch1][=O] | Cc1nc2ccccc2n6c1=O.C15CC=CC1.C6CC4.C35=O.N34 |
1923983 | Cc1[nH]nc(C(F)F)c1NC(=O)C(C)Cc1ccccc1 | [C][C][NH1][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1[nH]nc4c13.C2(=O)C(C)C5.c15ccccc1.C4(F)F.N23 |
1923984 | O=C(Cc1ccc(F)cc1)N1CCCCC1Cn1ccnn1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][N][C][=C][N][=N][Ring1][Branch1] | c15ccc(F)cc1.N12CCCCC14.n13ccnn1.O=C2C5.C34 |
1923986 | COC(=O)c1cnc(C(=O)N(Cc2ccccc2)C2CC2)cn1 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][Ring1] | c17cnc8cn1.c19ccccc1.C37=O.C48=O.N456.C16CC1.CO3.C59 |
1923987 | CN1CCOCC1C(=O)NCCCNc1ccccc1 | [C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | CN1CCOCC16.c15ccccc1.C3CC4.C26=O.N23.N45 |
1923988 | CC(NC(=O)CCC1(C)CCC(=O)N1)C(=O)Nc1ccccc1 | [C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16(C)CCC(=O)N1.c15ccccc1.CC4C3=O.C2(=O)CC6.N24.N35 |
1923989 | CCOC(=O)CCc1ccc(NC(=O)c2ccc3[nH]cnc3n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c18ccc2[nH]cnc2n1.c19ccc7cc1.C4(=O)CC9.C58=O.CC6.O46.N57 |
1923990 | Cc1cc(NCc2ccnn2C)ccc1C(F)(F)F | [C][C][=C][C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F] | Cc1cc4ccc16.c15ccnn1C.C6(F)(F)F.N34.C35 |
1923992 | Cc1csc(SCc2nc(C3CC3)n[nH]2)n1 | [C][C][=C][S][C][Branch1][P][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][=N][Ring1][#C] | Cc1csc6n1.c15nc7n[nH]1.C17CC1.S46.C45 |
1923993 | CC(NC(=O)N1CCC(Cc2cccnc2)CC1)c1nncn1C | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=N][N][=C][N][Ring1][Branch1][C] | N14CCC7CC1.c18cccnc1.c16nncn1C.CC56.C34=O.N35.C78 |
1923994 | O=C(Nc1cccc(F)c1)N1CCC(Cc2cccnc2)CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N] | c15cccc(F)c1.N14CCC6CC1.c17cccnc1.O=C34.N35.C67 |
1923995 | CCn1cnnc1CNC(=O)N1CCC(Cc2cccnc2)CC1 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N] | N14CCC8CC1.n16cnnc17.c19cccnc1.C34=O.CC6.C57.N35.C89 |
1923997 | COc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.N15CCC8CC1.c19cccnc1.C45=O.CO6.N47.C89 |
1923998 | Fc1ccc2ncnc(N3CCC(Cc4cccnc4)CC3)c2c1 | [F][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Fc1ccc2ncnc5c2c1.N15CCC6CC1.c17cccnc1.C67 |
1923999 | CN(CCc1cnccn1)Cc1cc(Cl)c2c(c1)OCCO2 | [C][N][Branch1][O][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][O][Ring1][#Branch1] | c16cc(Cl)c2c(c1)OCCO2.c15cnccn1.CN34.C3C5.C46 |
1924000 | CC(C)(O)C(C)(C)NC(=O)C1CCCN(C(=O)C2CC2)C1 | [C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][O] | CC(C)(O)C5(C)C.C16CCCN4C1.C36=O.C47=O.C17CC1.N35 |
1924001 | O=C(Nc1ccc(-c2cnco2)cc1)c1cc(-n2ccnc2)ccn1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][C][=N][Ring1][O] | c14ccc7cc1.c15cc6ccn1.c17cnco1.n16ccnc1.O=C35.N34 |
1924002 | CCOc1cc2c(cc1NC(=O)c1cn(C)nc1SC)OC(C)C2 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][S][C][O][C][Branch1][C][C][C][Ring2][Ring1][Ring1] | c15cc2c(cc16)OC(C)C2.c17cn(C)nc18.C37=O.CC4.O45.N36.S8C |
1924003 | Cc1nn(C)c(C)c1C1COCCN1C(=O)NC1CC1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | Cc1nn(C)c(C)c15.C15COCCN12.C23=O.C14CC1.N34 |
1924004 | CCOC(=O)c1cn(Cc2ncccc2C)c2nc(C)ccc2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] | c15cn6c2nc(C)ccc2c1=O.c17ncccc1C.C35=O.CC4.O34.C67 |
1924005 | Cc1cc(=O)n(Cc2c(F)cccc2Br)cn1 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Br][C][=N][Ring1][S] | Cc1cc(=O)n3cn1.c14c(F)cccc1Br.C34 |
1924006 | CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)CCCO2 | [C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1] | S4(=O)(=O)c1ccc2c(c1)CCCO2.c15cccc(F)c1.CN34.C35 |
1924007 | COc1ccc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c16c(C)nn(C)c1C.c14ccc5cc1.N13CCOCC16.C35=O.CO4 |
1924008 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1ccccc1F | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1nn(C)c(C)c14.C14COCCN12.c13ccccc1F.C23=O |
1924009 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1cccc(F)c1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1nn(C)c(C)c14.C14COCCN12.c13cccc(F)c1.C23=O |
1924010 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1ccc(F)cc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nn(C)c(C)c14.C14COCCN12.c13ccc(F)cc1.C23=O |
1924011 | COc1cccc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c16c(C)nn(C)c1C.c14cccc5c1.N13CCOCC16.C35=O.CO4 |
1924013 | Cc1ccc(C)c(NC(=O)N2CCOCC2c2c(C)nn(C)c2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc(C)c5c1.c16c(C)nn(C)c1C.N14CCOCC16.C34=O.N35 |
1924014 | Cn1c(COC(=O)c2c[nH]c(=O)c(Cl)c2)nnc1C1CC1 | [C][N][C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | c15c[nH]c(=O)c(Cl)c1.Cn1c6nnc17.C35=O.C17CC1.C46.O34 |
1924015 | CC(C)(CCCO)CNC(=O)c1cccc2cccnc12 | [C][C][Branch1][C][C][Branch1][Branch1][C][C][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2cccnc12.CC(C)(C4)CCCO.C35=O.N34 |
1924016 | CCn1ccnc(NCCOc2ccccc2OC)c1=O | [C][C][N][C][=C][N][=C][Branch1][#C][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][C][=O] | n18ccnc7c1=O.c14ccccc15.C6C3.CC8.N67.O34.O5C |
1924017 | COCc1cc(N2CCc3ccccc3C2(C)C)n2ncnc2n1 | [C][O][C][C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][C][C][C][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][Branch1] | N15CCc2ccccc2C1(C)C.c16cc5n2ncnc2n1.CO4.C46 |
1924018 | Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)N2CCCC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][Branch1] | Cc1ccc(S4(=O)=O)o1.N14CCCCC15.N13CCCC1.C35=O |
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