ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
5585 | O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)cn1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c15ccc(F)cc1.c14ccc(Cl)cn1.O=C23.N25.N34 |
5586 | NC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc5cc1.c17ccccn1.C3(=O)C4.NC6=O.N35.S47 |
5587 | CC1CN(C(=O)c2ccccc2C(=O)c2ncc[nH]2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][NH1][Ring1][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | CC1CN3CC(C)O1.c15ccccc16.c14ncc[nH]1.C35=O.C46=O |
5588 | c1cnc2c(OCc3cn4cccnc4n3)cccc2c1 | [C][=C][N][=C][C][Branch1][S][O][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c1cnc2c6cccc2c1.c17cn2cccnc2n1.O56.C57 |
5590 | O=C(CSc1ccccn1)Nc1ccc(Cl)cc1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccccn1.O=C2C3.S35.N24 |
5591 | COc1ccc(C2CC(c3ccccc3)=Nc3ncnn32)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][C][=N][N][Ring1][Branch1][Ring1][#C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c14ccc(C2CC(c3ccccc3)=Nc3ncnn32)c5c1.CO4.O5C |
5592 | CC(=O)N1CCC(=O)N(Cc2ccccc2)c2ccccc21 | [C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | N13CCC(=O)N(C4)c2ccccc21.c14ccccc1.CC3=O |
5593 | O=C(CSc1ncccn1)Nc1nccs1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=N][C][=C][S][Ring1][Branch1] | c15ncccn1.c14nccs1.O=C2C3.S35.N24 |
5594 | COc1cc(OC)c(C#N)c(S(=O)(=O)Cc2ccccc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c13cc4c(C#N)c(S(=O)(=O)C5)c1.c15ccccc1.CO3.O4C |
5595 | COc1ccc(C2=Nc3ncnn3C(c3ccc(OC)cc3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c14ccc(C2=Nc3ncnn3C(c3ccc5cc3)C2)cc1.CO4.O5C |
5596 | Cn1cnnc1SCC(=O)Nc1ccc(Br)cn1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c14ccc(Br)cn1.Cn1cnnc15.C3C2=O.S35.N24 |
5597 | Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCO2.Cc1nnc7s1.C5C4=O.S57.N46 |
5598 | COc1ccc(C2=Nc3ncnn3C(c3cccs3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c14ccc(C2=Nc3ncnn3C(c3cccs3)C2)cc1.CO4 |
5599 | Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Ring2][Ring1][C] | c15ccc(Cl)c(Cl)c1.Cc1nnc6s1.C4C3=O.S46.N35 |
5601 | COc1ccc(C2=Nc3ncnn3C(c3cccs3)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc(C2=Nc3ncnn3C(c3cccs3)C2)cc15.CO4.O5C |
5603 | Cc1ccc(C2CC(c3cccs3)=Nc3ncnn32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=N][C][=N][N][Ring1][Branch1][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(C2CC(c3cccs3)=Nc3ncnn32)cc1 |
5604 | COc1ccc(C2C=C(c3cccs3)Nc3ncnn32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c14ccc(C2C=C(c3cccs3)Nc3ncnn32)cc1.CO4 |
5605 | COc1cc(C2OC(=O)c3ccccc3S2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | C17OC(=O)c2ccccc2S1.c14cc7cc5c16.CO4.O5C.O6C |
5606 | CC(=O)Nc1cccc(C2=Nc3ncnn3C(c3ccc(C)cc3)C2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][O][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S][=C][Ring2][Ring1][=Branch1] | c15cccc(C2=Nc3ncnn3C(c3ccc(C)cc3)C2)c1.CC4=O.N45 |
5607 | CC(=O)Nc1cccc(C2=Nc3ncnn3C(c3cccs3)C2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C][=C][Ring2][Ring1][Ring2] | c15cccc(C2=Nc3ncnn3C(c3cccs3)C2)c1.CC4=O.N45 |
5608 | COc1cc(OC)cc(C(=O)Nc2c(C)cccc2C(C)C)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | c14cc5cc7c1.c16c8cccc1C.C37=O.C8(C)C.CO4.O5C.N36 |
5609 | COC(=O)c1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c19cc5cc6c1.c18cccc7c1.C38=O.C49=O.CO3.N47.O5C.O6C |
5610 | CC1(C)N=C(N)N=C(N)N1c1cccc(C(F)(F)F)c1 | [C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | CC1(C)N=C(N)N=C(N)N12.c12cccc3c1.C3(F)(F)F |
5612 | CCOC(=O)c1sc2ncn(CC(=O)OC(C)C)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | c17sc2ncn8c(=O)c2c1C.C8C4=O.C37=O.C6(C)C.CC5.O35.O46 |
5613 | CCOC(=O)c1sc2ncn(C(C)C(=O)OCC)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | c17sc2ncn8c(=O)c2c1C.C8(C)C4=O.C37=O.CC5.O35.O46.C6C |
5615 | CCOC(=O)c1sc2ncn(C(CC)C(=O)OC)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][N][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | c16sc2ncn7c(=O)c2c1C.C7(CC)C4=O.C36=O.CC5.O35.O4C |
5616 | CCOC(=O)c1sc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | c16sc2ncn7c(=O)c2c1C.c18ccc(F)cc1.C46=O.CC5.O45.C78 |
5617 | CCOC(=O)c1sc2ncn(CC)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][=Ring1][N][C] | c15sc2ncn6c(=O)c2c1C.C35=O.CC4.O34.C6C |
5618 | CCCn1cnc2sc(C(=O)OCC)c(C)c2c1=O | [C][C][C][N][C][=N][C][S][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][=Ring1][O][C][Ring1][#C][=O] | n16cnc2sc5c(C)c2c1=O.CCC6.C35=O.O34.C4C |
5619 | CCOC(=O)c1sc2ncn(C)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C] | c15sc2ncn(C)c(=O)c2c1C.C35=O.CC4.O34 |
5620 | C=CCn1cnc2sc(C(=O)OCC)c(C)c2c1=O | [C][=C][C][N][C][=N][C][S][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][=Ring1][O][C][Ring1][#C][=O] | n16cnc2sc5c(C)c2c1=O.C=CC6.C35=O.O34.C4C |
5621 | CCOC(=O)c1sc2ncn(CC(N)=O)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][=Ring1][O][C][=Ring1][=C][C] | c15sc2ncn6c(=O)c2c1C.C6C(N)=O.C35=O.CC4.O34 |
5622 | CCOC(=O)c1sc2ncn(CCc3ccccc3)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | c16sc2ncn7c(=O)c2c1C.c18ccccc1.C46=O.C7C8.CC5.O45 |
5623 | O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccco1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | n16cnc2sc3c(c2c1=O)CCCC3.c17ccco1.O=C4C6.N45.C57 |
5624 | O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16cnc2sc3c(c2c1=O)CCCC3.c15ccccc1.O=C4C6.N45 |
5625 | Cc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(N)=O | [C][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][=Branch1][C][=O][N][Ring1][S][C][C][Branch1][C][N][=O] | Cc1nc2sc5cc2c(=O)n14.c15ccccc1.C4C(N)=O |
5626 | O=C1CC(N2C(=O)c3ccccc3S2(=O)=O)C2COC1O2 | [O][=C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][C][O][C][Ring2][Ring1][Ring1][O][Ring1][Branch1] | N14C(=O)c2ccccc2S1(=O)=O.O=C1CC4C2COC1O2 |
5627 | Cc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.c16nc2ccccc2[nH]1.N45.C46 |
5628 | Cc1sc2ncn(CC(=O)NCc3ccco3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2ncn6c(=O)c2c1C.c17ccco1.C6C4=O.N45.C57 |
5629 | Cc1sc2ncn(CC(=O)Nc3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2ncn6c(=O)c2c1C.c15ccccc1.C6C4=O.N45 |
5630 | Cc1sc2ncn(CC(=O)NCc3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2ncn6c(=O)c2c1C.c17ccccc1.C6C4=O.N45.C57 |
5631 | Cc1sc2ncn(CCC(C)C)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][N][C][=Ring1][#C][C] | Cc1sc2ncn3c(=O)c2c1C.C3CC(C)C |
5632 | Cc1sc2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2ncn6c(=O)c2c1C.c15ccc(Cl)cc1.C6C4=O.N45 |
5633 | Cc1sc2ncn(CC(=O)OCC(C)C)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][=N][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2ncn5c(=O)c2c1C.C5C3=O.C4C(C)C.O34 |
5634 | COC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n15cnc2scc6c2c1=O.c16ccccc1.C4(=O)C5.CO4 |
5635 | CCOC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n16cnc2scc7c2c1=O.c17ccc(C)cc1.C4(=O)C6.CC5.O45 |
5637 | CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O | [C][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n14cnc2scc5c2c1=O.c15ccc(C)cc1.CC4 |
5638 | Cc1ccc(-c2csc3ncn(CC(N)=O)c(=O)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15csc2ncn4c(=O)c12.Cc1ccc5cc1.C4C(N)=O |
5639 | Cc1cc2ncn(CC(O)COCC3CC=CCC3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][P][C][C][Branch1][C][O][C][O][C][C][C][C][=C][C][C][Ring1][=Branch1][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][C] | Cc1cc2ncn6c2cc1C.C17CC=CCC1.C6C(O)C4.O45.C57 |
5640 | Cc1ccc(-c2csc3ncn(CC#N)c(=O)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][N][=C][N][Branch1][Ring2][C][C][#N][C][=Branch1][C][=O][C][Ring1][=N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15csc2ncn4c(=O)c12.Cc1ccc5cc1.C4C#N |
5641 | CC(=O)C(C)n1cnc2scc(-c3ccc(C)cc3)c2c1=O | [C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n14cnc2scc5c2c1=O.c15ccc(C)cc1.CC(=O)C4C |
5642 | COC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Ring1][S][=O] | n15cnc2scc6c2c1=O.c16ccc(C)cc1.C4(=O)C5.CO4 |
5643 | Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(F)cc2)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][S] | Cc1ccccc16.c14ccc(F)cc1.c16nnn5n1.C5C3=O.N34 |
5644 | CCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O | [C][C][N][C][=N][C][S][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][=N][C][Ring1][P][=O] | n15cnc2scc6c2c1=O.c16ccc4cc1.CC5.O4C |
5645 | CCCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O | [C][C][C][N][C][=N][C][S][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][=N][C][Ring1][P][=O] | n15cnc2scc6c2c1=O.c16ccc4cc1.CCC5.O4C |
5646 | C=CCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O | [C][=C][C][N][C][=N][C][S][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][=N][C][Ring1][P][=O] | n15cnc2scc6c2c1=O.c16ccc4cc1.C=CC5.O4C |
5647 | COC(=O)Cn1cnc2scc(-c3ccc(OC)cc3)c2c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][=N][C][Ring1][P][=O] | n16cnc2scc7c2c1=O.c17ccc5cc1.C4(=O)C6.CO4.O5C |
5651 | Cc1cc(C)nc(SCC(=O)NCc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc7n1.c16ccccc1.C5C3=O.S57.N34.C46 |
5654 | CCOC(=O)c1c(N)nn(C(=O)c2ccccc2)c1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][N][=N][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15c(N)nn(C6=O)c17.c16ccccc1.c17ccccc1.C35=O.CC4.O34 |
5655 | CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][N][=N][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c(N)nn(C(=O)C(C)C)c15.c15ccccc1.C24=O.CC3.O23 |
5656 | Cc1ccc(-c2csc3nc[nH]c(=O)c23)cc1C | [C][C][=C][C][=C][Branch1][P][C][=C][S][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch2][=Ring1][#Branch1][C][=C][Ring1][S][C] | c14csc2nc[nH]c(=O)c12.Cc1ccc4cc1C |
5657 | O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCOCC3)ncc21 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][Ring2][Ring1][#Branch1] | O=C1CC5Cc2nc4ncc21.c15ccc(F)cc1.N14CCOCC1 |
5659 | NC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O | [N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | n13nc4c2ccccc2c1=O.c14ccc(Cl)cc1.NC(=O)C3 |
5660 | CNC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O | [C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O] | n14nc5c2ccccc2c1=O.c15ccc(Cl)cc1.C3(=O)C4.CN3 |
5661 | Cc1ccc(-c2csc3nc[nH]c(=O)c23)c(C)c1 | [C][C][=C][C][=C][Branch1][P][C][=C][S][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch2][=Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][P] | c14csc2nc[nH]c(=O)c12.Cc1ccc4c(C)c1 |
5662 | Cc1nn(CC(=O)NCc2cccnc2)c(=O)c2ccccc12 | [C][C][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c16cccnc1.C5C3=O.N34.C46 |
5663 | Cc1nn(CC(=O)NC(C)c2ccccc2)c(=O)c2ccccc12 | [C][C][=N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c16ccccc1.C5C3=O.C46C.N34 |
5664 | COc1ccc(-c2c3c(nc4ncnn24)-c2ccccc2C3=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=Branch1][O][=N][C][=N][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1] | c16c2c(nc3ncnn13)-c1ccccc1C2=O.c15ccc6cc1.CO5 |
5665 | Cc1nn(CC(=O)NCC2CCCO2)c(=O)c2ccccc12 | [C][C][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.C16CCCO1.C5C3=O.N34.C46 |
5667 | O=C(CSc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c13ccc(F)cc1.c15nnnn14.O=C3C2.S25 |
5668 | Cc1nn(CC(=O)Nc2ccc(F)cc2)c(=O)c2ccccc12 | [C][C][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c14ccc(F)cc1.C5C3=O.N34 |
5669 | NC(=O)CSc1ncnc2sc3c(c12)CCCC3 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c15ncnc2sc3c(c12)CCCC3.NC(=O)C4.S45 |
5670 | CNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][C] | c15nn(C)c(=O)c2ccccc12.S4(=O)(=O)c1cc5ccc1C.CN4 |
5673 | Cc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 | [C][C][=C][C][=C][Branch2][Ring2][C][N][C][Branch1][C][C][=C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][N][=C][Ring1][P][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | n15c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12.Cc1ccc5cc1 |
5674 | COc1ccc(-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][Branch1][C][C][=C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][N][=C][Ring1][P][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | n16c(C)cn2c3c(=O)n(C)c(=O)n(C)c3nc12.c15ccc6cc1.CO5 |
5677 | COc1cc(C2CC(=O)Nc3ccccc3S2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | C17CC(=O)Nc2ccccc2S1.c14cc7cc5c16.CO4.O5C.O6C |
5679 | O=C(NCc1ccco1)c1scc2c1OCCO2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][S][C][=C][C][=Ring1][Branch1][O][C][C][O][Ring1][=Branch1] | c15scc2c1OCCO2.c16ccco1.O=C35.N34.C46 |
5680 | C#CCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21 | [C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | C#CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccn1 |
5681 | COc1ccc(-c2nnc3c4cnn(C)c4ncn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c16nnc2c3cnn(C)c3ncn12.c15ccc6cc1.CO5 |
5682 | c1ccc(Cn2ncc3c2ncn2c(-c4ccncc4)nnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][=Branch2] | n15ncc2c1ncn1c7nnc21.c1ccc6cc1.c17ccncc1.C56 |
5683 | Cc1cc(C)n2c(SCc3ccc(C#N)cc3)nnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n2c6nnc2n1.c15ccc(C#N)cc1.S46.C45 |
5684 | c1ccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1 | [C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][Branch2] | n15ncc2c1ncn1nc6nc21.c1ccc5cc1.c16ccncc1 |
5686 | O=C(c1scc2c1CCCC2)N1CCOCC1 | [O][=C][Branch1][=C][C][S][C][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14scc2c1CCCC2.N13CCOCC1.O=C34 |
5687 | CC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][C][=Ring1][P][C] | S3(=O)(=O)c1cc(C)ccc1C.c15sc4nc1C.CC5=O.N34 |
5688 | CC1CCN(C(=O)c2scc3c2OCCO3)CC1 | [C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][O][C][C][O][Ring1][=Branch1][C][C][Ring1][P] | c15scc2c1OCCO2.CC1CCN4CC1.C45=O |
5689 | COc1cc(C)nc(Nc2nc(C)c(C(C)=O)s2)n1 | [C][O][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][=N][Ring1][P] | c13cc(C)nc4n1.c15nc(C)c6s1.C6(C)=O.CO3.N45 |
5690 | CCNc1nc(NCC)nc(Nc2nc(C)c(C(C)=O)s2)n1 | [C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c15nc6nc7n1.c18nc(C)c9s1.C9(C)=O.CC3.N35.N46.C4C.N78 |
5691 | COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=N][Ring2][Ring1][Branch1] | c19cc5c6c7c1.c14ccc8cn1.C39=O.CO4.N38.O5C.O6C.O7C |
5692 | CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1 | [C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring1][S] | c15nc3cc(C)n1.c14ccc(=O)n(C)n1.CS5.O34 |
5693 | COC(=O)COc1ccc(Oc2cc(C)nc(SC)n2)nn1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][P][O][C][=C][C][Branch1][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][=Branch2][N][=N][Ring1][S] | c17cc(C)nc8n1.c15ccc6nn1.C3(=O)C4.CO3.O45.O67.S8C |
5694 | Cc1sc2ncnc(SCC(N)=O)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][Ring1][O][C][=Ring1][=C][C] | Cc1sc2ncnc4c2c1C.C3C(N)=O.S34 |
5695 | COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][=N][Ring2][Ring1][C] | c16cc(F)c(F)cc1Cl.c14ccc5cn1.C36=O.CO4.N35 |
5696 | Cc1sc2ncnc(SCC(=O)NCc3ccccc3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2ncnc8c2c1C.c17ccccc1.C6C4=O.S68.N45.C57 |
5697 | c1ccc(Cn2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][=Branch2] | n15ncc2c1ncn1nc7nc21.c1ccc6cc1.c17ccncc1.C56 |
5698 | Cc1cc2c(c(=O)o1)SC(=C(C(F)(F)F)C(F)(F)F)O2 | [C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][#Branch1][S][C][=Branch2][Ring1][Ring2][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][P] | Cc1cc2c(c(=O)o1)SC(=C(C(F)(F)F)C(F)(F)F)O2 |
5701 | Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1C | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C] | Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1C |
5702 | CCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O | [C][C][N][C][=N][C][=C][Branch2][Ring1][#Branch2][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=O] | n15cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O.CC5 |
5704 | Nc1c(C(=O)Nc2ccc(Cl)cn2)sc2nc3c(cc12)CCC3 | [N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][S][C][=N][C][=C][Branch1][Branch2][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][C][Ring1][#Branch1] | Nc1c6sc2nc3c(cc12)CCC3.c15ccc(Cl)cn1.C46=O.N45 |
5706 | Cc1ccc2c(N)c(C(=O)Nc3cnc4ccccc4c3)sc2n1 | [C][C][=C][C][=C][C][Branch1][C][N][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1] | Cc1ccc2c(N)c7sc2n1.c16cnc2ccccc2c1.C57=O.N56 |
5707 | CC(O)c1nc2ccccc2n1Cc1ccc(F)cc1 | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14nc2ccccc2n13.c15ccc(F)cc1.CC4O.C35 |
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