ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1923560 | CC(=O)c1cccc(COC(=O)c2cccnc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][S] | c15cccc7c1.c16cccnc1.CC5=O.C36=O.C47.O34 |
1923561 | COc1ncncc1NC(=O)c1cc(-c2ccccn2)ccc1Cl | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][N][Cl] | c16cc7ccc1Cl.c14ncncc15.c17ccccn1.C36=O.CO4.N35 |
1923562 | Cc1c(C(=O)Nc2cnc(N(C)C)nc2)cccc1-c1ccccn1 | [C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1c6cccc17.c15cnc4nc1.c17ccccn1.C36=O.N4(C)C.N35 |
1923563 | CCc1cccnc1NC(=O)c1ccc(OC)c(-c2ccccn2)c1 | [C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C] | c16ccc4c8c1.c17cccnc15.c18ccccn1.C36=O.CC7.N35.O4C |
1923564 | COc1cccnc1N(C)C(=O)c1cccc(-c2ccccn2)c1C | [C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][N][C] | c16cccc7c1C.c14cccnc15.c17ccccn1.N35C.C36=O.CO4 |
1923565 | Cc1cnc(CCN(C)C(=O)C(C)n2cnc3ccccc32)s1 | [C][C][=C][N][=C][Branch2][Ring1][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][S][Ring2][Ring1][=Branch1] | n16cnc2ccccc21.Cc1cnc7s1.C4(=O)C6C.C7C5.N45C |
1923566 | O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)c1ccc[nH]1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][NH1][Ring1][Branch1] | c16ccccc17.C7S4(=O)=O.N14CCCC1.c15ccc[nH]1.O=C25.N23.C36 |
1923567 | CCc1oc(C(=O)NCC2(O)CCOC2)cc1C | [C][C][C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][O][C][Ring1][=Branch1][=C][C][=Ring1][#C][C] | c16oc5cc1C.C17(O)CCOC1.C35=O.CC6.N34.C47 |
1923568 | O=C(COc1nnc(-c2ccccc2)o1)c1ccc2c(c1)COC2 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1] | c15ccc2c(c1)COC2.c14nnc6o1.c16ccccc1.O=C5C3.O34 |
1923570 | Cc1cc(C(=O)Nc2cc(-c3cccnc3)n[nH]2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][NH1][Ring1][O][=C][Branch1][C][C][O][Ring2][Ring1][Ring2] | Cc1cc6c(C)o1.c15cc7n[nH]1.c17cccnc1.C46=O.N45 |
1923571 | CCSc1ccccc1OCC(=O)N1CCCCC1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c16ccccc14.N12CCCCC1.C3C2=O.CC5.S56.O34 |
1923572 | Cn1cc(S(=O)(=O)Oc2cccc(F)c2C#N)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N][C][=N][Ring2][Ring1][C] | Cn1cc(S(=O)(=O)O3)cn1.c13cccc(F)c1C#N |
1923573 | O=c1c(F)cn(C2CCCO2)c(=O)n1CC(O)c1ccccc1 | [O][=C][C][Branch1][C][F][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c(F)cn5c(=O)n13.c14ccccc1.C15CCCO1.C3C4O |
1923575 | N#Cc1ccc(OCC(O)Cn2ccc(-c3ccsc3)n2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][=C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | N#Cc1ccc5cc1.n16ccc7n1.C4C(O)C6.c17ccsc1.O45 |
1923576 | OC(COCc1cccs1)Cn1nccc1-c1ccncc1 | [O][C][Branch1][O][C][O][C][C][=C][C][=C][S][Ring1][Branch1][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | n14nccc16.c16ccncc1.OC(C2)C4.c15cccs1.O23.C35 |
1923577 | O=C(CCn1cc(-n2cccc2)cn1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=N][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15cc6cn1.c14ccccc1.O=C3CC5.n16cccc1.N34 |
1923578 | Cn1ncc2cnn(CCS(=O)(=O)c3ccccc3)c2c1=O | [C][N][N][=C][C][C][=N][N][Branch2][Ring1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][Ring2][Ring1][Ring2][=O] | Cn1ncc2cnn4c2c1=O.C4CS(=O)(=O)c1ccccc1 |
1923579 | Cn1ncc2cnn(CCC(=O)Nc3cccc(Cl)c3)c2c1=O | [C][N][N][=C][C][C][=N][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][P][C][Ring2][Ring1][Branch1][=O] | Cn1ncc2cnn6c2c1=O.c15cccc(Cl)c1.C6CC4=O.N45 |
1923580 | Cn1ncc2cnn(CCC(=O)Nc3ccccc3)c2c1=O | [C][N][N][=C][C][C][=N][N][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][Ring2][Ring1][Ring2][=O] | Cn1ncc2cnn6c2c1=O.c15ccccc1.C6CC4=O.N45 |
1923581 | Cc1cc(NC(=O)CCn2ncnc2-c2cccnc2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][Branch1] | Cc1cc4no1.n15ncnc16.c16cccnc1.C3(=O)CC5.N34 |
1923582 | C[S+]([O-])c1ncn(CCC(=O)Nc2cccc(Cl)c2)n1 | [C][S+1][Branch1][C][O-1][C][N][=C][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring1][P] | C[S+]([O-])c1ncn5n1.c14cccc(Cl)c1.C5CC3=O.N34 |
1923583 | C[S+]([O-])c1ncn(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1 | [C][S+1][Branch1][C][O-1][C][N][=C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=Ring2][Ring1][Ring2] | C[S+]([O-])c1ncn5n1.c14cccc6c1.C5CC3=O.C6(F)(F)F.N34 |
1923584 | CCCc1nn(CC(O)c2cccc(Cl)c2)c(=O)o1 | [C][C][C][C][=N][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][S] | c14nn3c(=O)o1.c15cccc(Cl)c1.C3C5O.CCC4 |
1923585 | Cc1ccc(Cl)c(OCC(O)CN2CCOCC2)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][O][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(Cl)c4c1.N15CCOCC1.C3C(O)C5.O34 |
1923586 | NC(=O)c1cccc(OCC(O)Cc2ccccc2C(F)(F)F)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] | c15cccc4c1.c16ccccc17.C3C(O)C6.C7(F)(F)F.NC5=O.O34 |
1923587 | Cc1nc(-c2ccc(OCC(C)(C)O)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][N][=C][S][Ring1][P] | c15ccc4cc1.Cc1nc5cs1.C3C(C)(C)O.O34 |
1923589 | CC(=O)N(CCc1nc(-c2ccc(F)cc2F)cs1)C(C)C | [C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][S][Ring1][=N][C][Branch1][C][C][C] | c17ccc(F)cc1F.c16nc7cs1.CC3=O.N345.C4C6.C5(C)C |
1923590 | O=S(=O)(Nc1nnc(C(F)F)s1)c1cc2ccccc2o1 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | O=S3(=O)c1cc2ccccc2o1.c14nnc5s1.C5(F)F.N34 |
1923591 | CNS(=O)(=O)c1cc(-c2nc(-c3cnn(C)c3)no2)co1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][O][Ring1][O][=C][O][Ring1][S] | S4(=O)(=O)c1cc5co1.c15nc6no1.c16cnn(C)c1.CN4 |
1923592 | CNS(=O)(=O)c1cc(-c2nc(Cc3ccc(F)cc3)no2)co1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][=N][=C][O][Ring2][Ring1][C] | S4(=O)(=O)c1cc7co1.c16ccc(F)cc1.c17nc5no1.CN4.C56 |
1923593 | CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(-n2ccnn2)c1 | [C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O] | c16ccc(F)c(F)c1.c15cccc7c1.n17ccnn1.CN34.C35=O.C46 |
1923594 | CCN(CCO)C(=O)c1ccc2ccc(Cl)cc2n1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O] | c16ccc2ccc(Cl)cc2n1.N345.C5CO.C36=O.CC4 |
1923595 | CCOC(=O)c1sc(C=Cc2cnn(C)c2C)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][C][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=N][C][=Ring1][=C][C] | c15sc(C=6)nc1C.C=6c1cnn(C)c1C.C35=O.CC4.O34 |
1923596 | CNS(=O)(=O)c1cc(C(=O)NC(C)Cc2ccsc2)co1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1][=C][O][Ring1][S] | S5(=O)(=O)c1cc6co1.c17ccsc1.C4(C)C7.C36=O.CN5.N34 |
1923597 | Cc1cnn(Cc2cc(C(=O)Nc3n[nH]c(-c4ccoc4)n3)no2)c1 | [C][C][C][=N][N][Branch2][Ring2][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][NH1][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][Ring1][#Branch2][=N][O][Ring2][Ring1][C][C][=Ring2][Ring1][Branch2] | Cc1cnn8c1.c19cc7no1.c16n[nH]c%10n1.c1%10ccoc1.C57=O.C89.N56 |
1923598 | N#CC(NC(=O)c1csc(C2CCCO2)n1)c1ccccc1Cl | [N][#C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc1Cl.c15csc7n1.C17CCCO1.N#CC46.C35=O.N34 |
1923599 | O=C(NCCNc1ccccc1)c1cccc(-n2ccnn2)c1 | [O][=C][Branch1][=N][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O] | c17cccc8c1.c16ccccc1.n18ccnn1.O=C37.C4C5.N34.N56 |
1923600 | CCC(NC(=O)c1cccc(-n2ccnn2)c1)c1ncc(C)s1 | [C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cccc7c1.c16ncc(C)s1.n17ccnn1.CCC46.C35=O.N34 |
1923602 | CC(C)N(Cc1cc2c(s1)CCC2)S(=O)(=O)CC#N | [C][C][Branch1][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][#N] | c16cc2c(s1)CCC2.S5(=O)(=O)CC#N.CC3C.N345.C46 |
1923603 | CNS(=O)(=O)c1cc(C(=O)N(C)C(C)Cc2cccs2)co1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][O][Ring1][P] | S5(=O)(=O)c1cc6co1.c17cccs1.C4(C)C7.C36=O.N34C.CN5 |
1923604 | CC(O)C1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 | [C][C][Branch1][C][O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] | c15ccc(F)c(Cl)c1.C14CCN3CC1.S3(=O)(=O)C5.CC4O |
1923605 | O=C(CCC(=O)NC1CCCC1)NCc1c(F)c(F)cc(F)c1F | [O][=C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F] | c16c(F)c(F)cc(F)c1F.O=C2CCC3=O.C15CCCC1.N35.N24.C46 |
1923606 | C#CCOCCC(=O)Nc1cnccc1-c1cccc(F)c1 | [C][#C][C][O][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cnccc16.c16cccc(F)c1.C4CC2=O.C#CC3.O34.N25 |
1923607 | CC1(CO)CCCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 | [C][C][Branch1][Ring1][C][O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2] | CC14CCCN3C1.c15ccc(F)c(Cl)c1.S3(=O)(=O)C5.C4O |
1923608 | Cc1cscc1C(=O)N1CCOCC1CC(=O)c1ccco1 | [C][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | N12CCOCC15.Cc1cscc14.c13ccco1.C5C3=O.C24=O |
1923610 | O=C(CC1COCCN1C(=O)c1ccc(Cl)cn1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch2][C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] | C15COCCN12.c14ccc(Cl)cn1.c13ccco1.O=C3C5.C24=O |
1923611 | O=C(CCC(=O)NC1CCCC1)NCC1C2CCc3ccccc3C21 | [O][=C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Ring1][O] | C18C2CCc3ccccc3C12.O=C4CCC5=O.C17CCCC1.N57.N46.C68 |
1923613 | Cc1noc(C)c1CN(C(=O)c1cccc(-n2ccnn2)c1)C1CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][C][C][C][Ring1][Ring1] | Cc1noc(C)c17.c16cccc8c1.n18ccnn1.N345.C36=O.C15CC1.C47 |
1923614 | Cc1c(CNc2ccc3[nH]ncc3c2)cc(C#N)n1C | [C][C][=C][Branch1][S][C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Branch1][Ring1][C][#N][N][Ring2][Ring1][C][C] | Cc1c6cc(C#N)n1C.c15ccc2[nH]ncc2c1.C46.N45 |
1923615 | c1cn2c(CNc3ccc4[nH]ncc4c3)cnc2cn1 | [C][=C][N][C][Branch1][S][C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][N][=C][Ring1][S][C][=N][Ring2][Ring1][Ring2] | c1cn2c7cnc2cn1.c16ccc2[nH]ncc2c1.C57.N56 |
1923616 | COC(=O)c1cc(CNc2ccc3[nH]ncc3c2)c[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][NH1][Ring1][S] | c16ccc2[nH]ncc2c1.c17cc8c[nH]1.C47=O.CO4.C58.N56 |
1923617 | Cc1nc(-c2cccc(NCc3cnc4cnccn34)c2)n[nH]1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][N][C][C][=C][N][=C][C][=N][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][P][=N][NH1][Ring2][Ring1][=Branch1] | c17cnc2cnccn12.c18cccc6c1.Cc1nc8n[nH]1.N56.C57 |
1923618 | Cc1ncc(CNc2cccc(-c3nc(C4CC4)n[nH]3)c2)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=C][C][=C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][=C][Ring1][=C][S][Ring2][Ring1][Branch1] | c16cccc9c1.Cc1ncc7s1.c19nc8n[nH]1.C18CC1.C57.N56 |
1923619 | COC(=O)c1cc(CNc2cccc(-c3nc(C4CC4)n[nH]3)c2)c[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][C][N][C][=C][C][=C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][=C][Ring1][=C][=C][NH1][Ring2][Ring1][Branch1] | c17cccc%11c1.c18cc9c[nH]1.c1%11nc%10n[nH]1.C58=O.C1%10CC1.CO5.C69.N67 |
1923620 | CC(C)C(=O)NCCCNC(=O)NCc1ccnc2ccccc12 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c19ccnc2ccccc12.CC(C)C3=O.C6CC7.C45=O.N36.N47.N58.C89 |
1923621 | Cc1nc(C(C)C)sc1C(C)N(C)C(=O)c1cc[nH]c1C | [C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][C][=Ring1][Branch2][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C] | Cc1nc5sc16.c14cc[nH]c1C.C5(C)C.C36C.N23C.C24=O |
1923622 | Cc1ncsc1C(=O)N(C)C(C)c1sc(C(C)C)nc1C | [C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=Ring1][Branch2][C] | c15sc6nc1C.Cc1ncsc14.C24=O.N23C.C35C.C6(C)C |
1923624 | CC1CN(C)CC(C)N1C(=O)c1ccncc1Cl | [C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl] | CC1CN(C)CC(C)N12.c13ccncc1Cl.C23=O |
1923625 | CC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c15ccccc16.N14CCC(C)CC1.C6S4(=O)=O.CC2=O.N23.C35 |
1923626 | CCC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c15ccccc16.N14CCC(C)CC1.C6S4(=O)=O.CCC2=O.N23.C35 |
1923627 | CCOc1ccc(Cl)cc1CCNC(=O)Cn1ccccc1=O | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] | c14ccc(Cl)cc17.n16ccccc1=O.C2(=O)C6.C7C5.CC3.O34.N25 |
1923628 | CCOc1ccc(Cl)cc1CCNC(=O)C1CCCO1 | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1] | c14ccc(Cl)cc17.C16CCCO1.C7C5.C26=O.CC3.O34.N25 |
1923629 | CCOc1ccc(Cl)cc1CCNC(=O)C1CCCc2[nH]ncc21 | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][NH1][N][=C][C][=Ring1][Branch1][Ring1][=Branch2] | C3(=O)C1CCCc2[nH]ncc21.c15ccc(Cl)cc17.C7C6.CC4.O45.N36 |
1923630 | CCOc1ccc(Cl)cc1CCNC(=O)c1ncoc1C | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C] | c14ccc(Cl)cc17.c16ncoc1C.C7C5.C26=O.CC3.O34.N25 |
1923632 | Cc1cc(NC(=O)NC2CCc3[nH]ncc3C2)nnc1C | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=N][N][=C][Ring2][Ring1][Ring1][C] | C17CCc2[nH]ncc2C1.Cc1cc6nnc1C.C45=O.N46.N57 |
1923633 | CC(C)Cc1cnc(NC(=O)NC2(C)CCOC2)s1 | [C][C][Branch1][C][C][C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][O][C][Ring1][=Branch1][S][Ring1][#C] | c17cnc6s1.C15(C)CCOC1.CC(C)C7.C34=O.N36.N45 |
1923634 | Cc1ccc(C)c(-n2ncc(NC(=O)NC3(C)CCOC3)c2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][N][N][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][O][C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(C)c8c1.n18ncc7c1C.C16(C)CCOC1.C45=O.N47.N56 |
1923635 | CC(=O)N1CCCCC1C(=O)NCCc1csc2ccccc12 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c17csc2ccccc12.N13CCCCC16.CC3=O.C46=O.C5C7.N45 |
1923636 | Cc1cc(C(C)NC(=O)N2CCC(C3(C)OCCO3)CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][C][Ring1][N][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | Cc1cc7c(C)o1.N15CCC8CC1.C18(C)OCCO1.C67C.C45=O.N46 |
1923637 | O=C(NCCC1Cc2ccccc2C1)N1CCC2(C1)OCCO2 | [O][=C][Branch1][P][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1] | C16Cc2ccccc2C1.N14CCC2(C1)OCCO2.O=C34.C5C6.N35 |
1923638 | CCC1c2ccccc2CCN1C(=O)CCc1c(C)nc(=O)[nH]c1C | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][C] | CCC1c2ccccc2CCN13.c14c(C)nc(=O)[nH]c1C.C3(=O)CC4 |
1923639 | CC(NC(=O)Cc1cccc(O)c1)c1ccc(-n2ccnn2)cc1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c16cccc(O)c1.c15ccc7cc1.n17ccnn1.C3(=O)C6.CC45.N34 |
1923640 | O=C(c1ccccn1)N1CCC(Nc2ncccc2C(F)(F)F)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][S] | c14ncccc17.c16ccccn1.N13CCC5C1.C7(F)(F)F.O=C36.N45 |
1923641 | O=S(=O)(Cc1ccc(F)c(Cl)c1)NCC1CCCC1O | [O][=S][=Branch1][C][=O][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][C][C][Ring1][Branch1][O] | c15ccc(F)c(Cl)c1.C14CCCC1O.O=S3(=O)C5.N23.C24 |
1923642 | O=S(=O)(NCC1CCCC1O)c1cnc2ccsc2c1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][C][C][C][C][Ring1][Branch1][O][C][=C][N][=C][C][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2] | O=S4(=O)c1cnc2ccsc2c1.C15CCCC1O.N34.C35 |
1923643 | CCC(C)n1cnc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)c1 | [C][C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][=C][Ring2][Ring1][C] | N13CC=C(C(F)(F)F)CC1.n14cnc(S3(=O)=O)c1.CCC4C |
1923644 | CC(NC(=O)c1cccc2c1oc(=O)n2C)c1csc(C2CC2)n1 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2] | c15cccc2c1oc(=O)n2C.c16csc7n1.CC46.C35=O.C17CC1.N34 |
1923645 | CCC(NC(=O)NC1CCN(C)C1=O)c1c(C)noc1C | [C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | C15CCN(C)C1=O.c16c(C)noc1C.CCC46.C23=O.N24.N35 |
1923646 | O=C(NCC1(O)CCOCC1)c1cnn(-c2ccc(F)cc2F)c1 | [O][=C][Branch1][=C][N][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Ring1][=N] | c17ccc(F)cc1F.C16(O)CCOCC1.c15cnn7c1.O=C35.N34.C46 |
1923647 | O=C(CN(Cc1ccccc1)c1ccccc1)N1CCC(O)C1 | [O][=C][Branch2][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] | c16ccccc1.c15ccccc1.N12CCC(O)C1.O=C2C3.N345.C46 |
1923648 | CC(C)(C(=O)NC1CCN(C2CCOCC2)C1=O)C1CCCC1 | [C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O][=O][C][C][C][C][C][Ring1][Branch1] | C14CCN6C1=O.CC5(C)C3=O.C16CCOCC1.C15CCCC1.N34 |
1923649 | O=C(NC1CCC(CO)CC1)c1ccncc1F | [O][=C][Branch1][=C][N][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F] | C13CCC5CC1.c14ccncc1F.O=C24.N23.C5O |
1923650 | Cc1nn(C)c(C)c1OCC(=O)NC1CCCCC1O | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O] | Cc1nn(C)c(C)c14.C15CCCCC1O.C3C2=O.O34.N25 |
1923652 | O=C(c1ccc[nH]1)N(CCCO)Cc1cccc(Cl)c1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][Branch1][Branch1][C][C][C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c16cccc(Cl)c1.c15ccc[nH]1.C3CCO.O=C25.N234.C46 |
1923653 | CCn1cc(C(=O)NCc2ccn(-c3c(F)cccc3F)n2)cn1 | [C][C][N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=Ring1][=N][C][=N][Ring2][Ring1][=Branch1] | c19c(F)cccc1F.n17cc6cn1.c18ccn9n1.C46=O.CC7.N45.C58 |
1923654 | Cn1c(=O)oc2c(C(=O)Oc3ccc(-c4ncc[nH]4)cc3)cccc21 | [C][N][C][=Branch1][C][=O][O][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2] | Cn1c(=O)oc2c7cccc21.c16ccc8cc1.c18ncc[nH]1.C57=O.O56 |
1923655 | Cn1cc(C(CO)NC(=O)NCC23CC4CC(CC(C4)C2)C3)cn1 | [C][N][C][=C][Branch2][Ring1][P][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=N][Ring2][Ring1][#Branch1] | C129CC3CC(CC(C3)C1)C2.Cn1cc%10cn1.C7%10CO.C56=O.N57.N68.C89 |
1923656 | O=C(c1ccncc1)N1CCN(c2ccc(F)cc2Cl)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C] | c14ccc(F)cc1Cl.N13CCN4CC1.c15ccncc1.O=C35 |
1923657 | O=C1CCC(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)N1 | [O][=C][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][N][Ring2][Ring1][Branch1] | c15ccc(F)cc1Cl.N14CCN5CC1.O=C1CCC6N1.C46=O |
1923658 | CCc1ncc(C(=O)Nc2ccncc2F)s1 | [C][C][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][F][S][Ring1][#C] | c14ccncc1F.c16ncc5s1.C35=O.CC6.N34 |
1923659 | O=C(CCc1nc[nH]n1)N1CCc2ccccc2C1Cc1ccccc1 | [O][=C][Branch1][#Branch2][C][C][C][N][=C][NH1][N][=Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCc2ccccc2C1C5.c15ccccc1.O=C3CC4.c14nc[nH]n1 |
1923660 | Cn1cc(CCC(=O)Nc2ccc(C(N)=O)nc2)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | Cn1cc6c2ccccc21.c14ccc5nc1.C6CC3=O.C5(N)=O.N34 |
1923664 | CCNC(=O)c1cc(NC(=O)c2occc2C)nc2ccccc12 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c18cc6nc2ccccc12.c17occc1C.C38=O.C47=O.CC5.N35.N46 |
1923665 | C#CCN(Cc1nnc(C2CC2)o1)CC(F)(F)F | [C][#C][C][N][Branch1][S][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][C][Branch1][C][F][Branch1][C][F][F] | c16nnc7o1.C5C(F)(F)F.C#CC3.N345.C17CC1.C46 |
1923666 | CCCc1n[nH]c(SCc2csc(C3CCCO3)n2)n1 | [C][C][C][C][=N][NH1][C][Branch2][Ring1][Ring1][S][C][C][=C][S][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][Ring1][#Branch2][=N][Ring1][P] | c15n[nH]c7n1.c16csc8n1.C18CCCO1.CCC5.S47.C46 |
1923667 | CC(CO)N1CCN(c2cc(NCC3CC3)ncn2)CC1 | [C][C][Branch1][Ring1][C][O][N][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=N][C][=N][Ring1][O][C][C][Ring1][P] | N14CCN6CC1.c16cc7ncn1.CC4CO.C18CC1.N57.C58 |
1923668 | CN(C)C(=O)c1cccc(NC(=O)c2cnc3ccc(F)cc3c2)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c18cnc2ccc(F)cc2c1.c17cccc6c1.CN4C.C47=O.C58=O.N56 |
1923671 | CC1(CO)CCCC1NS(=O)(=O)c1cccc2cnccc12 | [C][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | S3(=O)(=O)c1cccc2cnccc12.CC15CCCC14.C5O.N34 |
1923672 | O=S(=O)(c1c[nH]cn1)N1CCCC(c2nnc3ccccn23)C1 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][N][C][C][C][C][Branch1][=C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C] | c15nnc2ccccn12.O=S4(=O)c1c[nH]cn1.N14CCCC5C1 |
1923673 | CC(O)C1CCCCN1S(=O)(=O)c1cccc2cnccc12 | [C][C][Branch1][C][O][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | S3(=O)(=O)c1cccc2cnccc12.C14CCCCN13.CC4O |
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