ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
3631 | COc1ccc2c(c1)CC(C1(O)C(=O)N(C)c3ccccc31)C2=O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][Ring2][Ring1][C][=O] | c14ccc2c(c1)CC(C1(O)C(=O)N(C)c3ccccc31)C2=O.CO4 |
3632 | O=C(NC1CCCCC1NC(=O)C1CC1)C1CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1] | C14CCCCC15.O=C26.C37=O.C17CC1.C16CC1.N24.N35 |
3633 | COc1cccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | c19nc2cc7ccc2o1.c16cccc9c1.c18cccnc1.C58=O.CO6.N57 |
3634 | CCOC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN5CC1.c17cncc(Br)c1.C34=O.C57=O.CC6.O36 |
3635 | COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | C16NC(=O)NC(C)=C1C3=O.c14cccc6c1.c15ccccc1.CO4.N35 |
3636 | Cc1ccc(C(=O)NCC2CCCO2)cc1Br | [C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C][Br] | Cc1ccc5cc1Br.C16CCCO1.C35=O.N34.C46 |
3637 | COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccs1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)C1=C(C)NC(=O)NC15.c13ccccc14.c15cccs1.CO3.N24 |
3638 | COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1ccco1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1] | C2(=O)C1=C(C)NC(=O)NC15.c13ccccc14.c15ccco1.CO3.N24 |
3639 | CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2F)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccccc1F.c14ccccc1.N34 |
3640 | CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2)NC(=O)N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C5NC(=O)N1.c14ccccc1C.c15ccccc1.N34 |
3641 | COc1ccc(-c2csc(Nc3ncccn3)n2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C][C] | c14ccc7cc1C.c17csc5n1.c16ncccn1.CO4.N56 |
3642 | O=c1oc2ccccc2cc1-c1csc(Nc2ncccn2)n1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=C][S][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N] | O=c1oc2ccccc2cc15.c15csc3n1.c14ncccn1.N34 |
3643 | COc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | C3(=O)C1=C(C)NC(=O)NC16.c14ccc5cc1.c16cccs1.CO4.N35 |
3644 | CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)cc2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(C)cc1.c14ccccc1.N34 |
3645 | CC(=O)Oc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17nc2c(s1)CCCC2.c16ccc8cc1.CC4=O.C58=O.O46.N57 |
3646 | CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C5NC(=O)N1.c14ccccc1C.c15ccc(F)cc1.N34 |
3647 | CC1=C(C(=O)Nc2ccccc2)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(F)cc1.c14ccccc1.N34 |
3648 | COC(=O)C1=C(C)Nc2ncnn2C1c1cccc(OC)c1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C] | C3(=O)C1=C(C)Nc2ncnn2C1c1cccc4c15.CO3.O4C.O5C |
3649 | CC1=C(C(=O)Nc2ccccc2Cl)C(c2cccs2)NC(=O)N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.c14ccccc1Cl.c15cccs1.N34 |
3650 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1sccc1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][S][C][=C][C][=Ring1][Branch1][C] | C3(=O)C1=C(C)Nc2ncnn2C1c1sccc1C.CC4.O34 |
3651 | CCOC(=O)C1=C(C)Nc2ncnn2C1c1cccc(OC)c1OC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C] | C3(=O)C1=C(C)Nc2ncnn2C1c1cccc5c16.CC4.O34.O5C.O6C |
3655 | Cc1ccn2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 | [C][C][C][=C][N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][N][=C][Ring1][P][C][=Ring2][Ring1][Branch1] | Cc1ccn2cc5nc2c1.c15ccc(S4(=O)=O)cc1.N4(C)C |
3656 | N#Cc1nc(-c2ccccc2)oc1NCC1CCCO1 | [N][#C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][N][C][C][C][C][C][O][Ring1][Branch1] | N#Cc1nc6oc14.c16ccccc1.C15CCCO1.N34.C35 |
3657 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(C(=O)OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc6cc1.C46=O.CC5.O35.O4C |
3658 | COC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][=Ring1][S][C] | c17sc6nc1C.c18ccc5cc1.C37=O.C48=O.CO3.N46.O5C |
3659 | COC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c16sc5nc1C.c17ccc(Cl)cc1.C36=O.C47=O.CO3.N45 |
3661 | COC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][P][C] | c18sc7nc1C.c16ccc(Cl)cc1.C4(=O)C5.C38=O.CO3.N47.O56 |
3662 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccccn1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccccn1.CC4.O34 |
3663 | CCOC(=O)c1sc(NC(=O)c2cccs2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][=N][C] | c17sc6nc1C.c18cccs1.C37=O.C48=O.CC5.O35.N46 |
3664 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccccc1OCC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccccc16.CC4.O34.O56.C5C |
3665 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1cccs1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1cccs1.CC4.O34 |
3666 | CCOC(=O)C1=C(C)Nc2nnnn2C1c1sccc1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][S][C][=C][C][=Ring1][Branch1][C] | C3(=O)C1=C(C)Nc2nnnn2C1c1sccc1C.CC4.O34 |
3667 | COC(=O)C1=C(C)Nc2nnnn2C1c1ccc(C(C)C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccc4cc1.C4(C)C.CO3 |
3668 | COC(=O)C1=C(C)Nc2nnnn2C1c1ccccn1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | C3(=O)C1=C(C)Nc2nnnn2C1c1ccccn1.CO3 |
3669 | CCOc1ccccc1C1C(C(=O)OC)=C(C)Nc2nnnn21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][N][C][=N][N][=N][N][Ring1][Branch1][Ring1][=C] | c15ccccc1C1C(C3=O)=C(C)Nc2nnnn21.CC4.O45.O3C |
3670 | Cc1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 | [C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][Ring2][Ring1][C] | c16ccc2c(c1)OCO2.Cc1nc(C#N)c5o1.N45.C46 |
3671 | CCOc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=C][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][N][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c17nc2sc(=Cc3ccco3)c(=O)n2n1.c16ccc7cc1.CC5.O56 |
3672 | COc1ccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=C][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][N][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16nc2sc(=Cc3ccco3)c(=O)n2n1.c15ccc6cc1.CO5 |
3673 | COc1ccc(-c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][=C][S][C][=Branch1][N][=C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16nc2sc(=Cc3ccc(C)o3)c(=O)n2n1.c15ccc6cc1.CO5 |
3675 | Cc1cc(NC(=O)C(C)NC(=O)c2ccc(C(C)(C)C)cc2)no1 | [C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][#Branch1] | c17ccc8cc1.Cc1cc6no1.C3(=O)C5C.C8(C)(C)C.C47=O.N36.N45 |
3676 | CCC(Sc1nc2ccccc2o1)C(=O)Nc1nnc(C)s1 | [C][C][C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c16nc2ccccc2o1.CCC4C3=O.c15nnc(C)s1.S46.N35 |
3677 | Cc1cc(NC(=O)CSc2nncn2C)ccc1Cl | [C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Ring1][P][Cl] | Cc1cc5ccc1Cl.c16nncn1C.C3(=O)C4.N35.S46 |
3678 | CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4[nH]3)c(C)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Branch1][C][C][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2c(=O)c7c(C)oc2c1.c17nc2ccccc2[nH]1.CC5=O.O56 |
3679 | CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch2][Ring1][Ring2][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][P] | c15sc2c(c17)CCCC2.c16ccc(C)cc1.CC3=O.C47=O.N35.N46 |
3680 | COC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][#C][Ring1][O] | c16c(C)oc2ccc5cc12.C4C(N)=O.C36=O.CO3.O45 |
3681 | CCOC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][#C][Ring1][O] | c17c(C)oc2ccc6cc12.C5C(N)=O.C37=O.CC4.O34.O56 |
3682 | CCOC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][Ring1][#C] | c19c(C)oc2ccc8cc12.N16CCOCC1.C49=O.C56=O.CC7.O47.O58 |
3683 | Cc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][Branch1][C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][C][C] | n14nc(C)c2c(C)cc(=O)oc21.Cc1ccc4cc1C |
3684 | O=c1c2ccccc2nnn1-c1ccc(Br)cc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=c1c2ccccc2nnn13.c13ccc(Br)cc1 |
3685 | COc1cccc(C2C(C(N)=O)=C(C)Nc3ncnn32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][=N][=C][Ring2][Ring1][Ring1] | c14cccc(C2C(C(N)=O)=C(C)Nc3ncnn32)c1.CO4 |
3686 | CC1(C)N=C(N)N=C(N)N1c1c(Cl)cccc1Cl | [C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | CC1(C)N=C(N)N=C(N)N12.c12c(Cl)cccc1Cl |
3687 | CC1(C)N=C(N)N=C(N)N1c1ccccc1C(F)(F)F | [C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | CC1(C)N=C(N)N=C(N)N12.c12ccccc13.C3(F)(F)F |
3688 | CCc1cccc(CC)c1N1C(N)=NC(N)=NC1(C)C | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][C][Ring1][Branch2][Branch1][C][C][C] | N12C(N)=NC(N)=NC1(C)C.c13cccc4c12.CC3.C4C |
3689 | Cc1cc(C)c(N2C(N)=NC(N)=NC2(C)C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][C][Ring1][Branch2][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][C] | N13C(N)=NC(N)=NC1(C)C.Cc1cc(C)c3c(C)c1 |
3690 | N#Cc1nc(-c2ccccc2)oc1N1CCOCC1 | [N][#C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | N#Cc1nc4oc13.c14ccccc1.N13CCOCC1 |
3691 | COC(=O)c1nc(-c2ccccc2)oc1N1CCCCC1 | [C][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][N][C][C][C][C][C][Ring1][=Branch1] | c15nc6oc14.c16ccccc1.N14CCCCC1.C35=O.CO3 |
3692 | Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]c1=O | [C][C][=C][N][Branch2][Ring1][#Branch2][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Branch2][=O] | Cc1cn4c(=O)[nH]c1=O.c14nc5oc16.c15ccccc1.c16ccccc1 |
3694 | CC1=C(C(N)=O)C(c2sccc2C)n2ncnc2N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=Branch2][C][S][C][=C][C][=Ring1][Branch1][C][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][C] | CC1=C(C(N)=O)C(c2sccc2C)n2ncnc2N1 |
3696 | Cn1c(=O)c2c(nc(SCc3ccccc3F)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][=C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][=C][C][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2c(nc6n2C)n(C)c1=O.c15ccccc1F.S46.C45 |
3697 | CC1=C(C(=O)OCC(C)C)C(c2cccc(O)c2)NC(=O)N1 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15cccc(O)c1.C4C(C)C.O34 |
3699 | CC1=C(C(N)=O)C(c2cccc(Cl)c2Cl)NC(=O)N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][N][Ring2][Ring1][C] | CC1=C(C(N)=O)C3NC(=O)N1.c13cccc(Cl)c1Cl |
3700 | CC1=C(C(N)=O)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][Ring2][Ring1][C] | CC1=C(C(N)=O)C3NC(=O)N1.c13ccc(Cl)c(Cl)c1 |
3701 | CC1=C(C(N)=O)C(c2cccc(Br)c2)NC(=O)N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring1][P] | CC1=C(C(N)=O)C3NC(=O)N1.c13cccc(Br)c1 |
3702 | CC1=C(C(N)=O)C(c2ccc(OCc3ccccc3)cc2)NC(=O)N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] | CC1=C(C(N)=O)C7NC(=O)N1.c17ccc5cc1.c16ccccc1.O45.C46 |
3703 | CCOc1ccc(C2NC(=O)NC(C)=C2C(N)=O)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O][C][=C][Ring1][P][O][C] | C16NC(=O)NC(C)=C1C(N)=O.c14ccc6cc15.CC3.O34.O5C |
3704 | CCOC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O] | c15cc2cc(Cl)cc(Cl)c2oc1=O.C35=O.CC4.O34 |
3705 | CCOc1ccccc1C1NC(=O)NC(C)=C1C(N)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O] | C14NC(=O)NC(C)=C1C(N)=O.c13ccccc14.CC2.O23 |
3706 | COC(=O)c1ccc(C2NC(=O)NC(C)=C2C(N)=O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O][C][=C][Ring1][P] | C15NC(=O)NC(C)=C1C(N)=O.c14ccc5cc1.C34=O.CO3 |
3707 | CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)NC(=O)N1 | [C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | CC1=C(C(N)=O)C4NC(=O)N1.c14ccc2c(c1)OCO2 |
3708 | O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1ccccc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc2c3c(cccc13)C(=O)N2.c16ccccc1.O=C46.N45.C57 |
3711 | COc1cccc(C(=O)NCc2ccc3c4c(cccc24)C(=O)N3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1] | c19ccc2c3c(cccc13)C(=O)N2.c16cccc8c1.C58=O.CO6.N57.C79 |
3712 | O=C1Nc2ccc(CNS(=O)(=O)c3ccccc3)c3cccc1c23 | [O][=C][N][C][=C][C][=C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | O=C1Nc2ccc6c3cccc1c23.S5(=O)(=O)c1ccccc1.C46.N45 |
3713 | O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] | c17ccc2c3c(cccc13)C(=O)N2.c16ccco1.O=C46.N45.C57 |
3714 | O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1cccs1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | c17ccc2c3c(cccc13)C(=O)N2.c16cccs1.O=C46.N45.C57 |
3715 | CCC(=O)Nc1nc2cc3sc(NC(=O)CC)nc3cc2s1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][=N][C][=Ring1][#Branch2][C][=C][Ring1][=C][S][Ring1][P] | c16nc2cc3sc7nc3cc2s1.CCC4=O.C5(=O)CC.N46.N57 |
3716 | Fc1ccc(-c2csc(NCC3CCCO3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | Fc1ccc7cc1.c17csc5n1.C16CCCO1.N45.C46 |
3717 | Cc1cc(=O)n2c(-c3ccc(Cl)cc3)csc2n1 | [C][C][=C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][C][Ring1][N][=N][Ring1][P] | Cc1cc(=O)n2c4csc2n1.c14ccc(Cl)cc1 |
3718 | CC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][S][Ring1][#C] | c16ccc2ccccc2c1.c15nc6cs1.CC4=O.N45 |
3723 | C=CCn1c(SCC(N)=O)nc2sc(CC)cc2c1=O | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][S][C][Branch1][Ring1][C][C][=C][C][=Ring1][#Branch1][C][Ring1][S][=O] | n14c6nc2sc5cc2c1=O.C3C(N)=O.C=CC4.S36.C5C |
3725 | NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15nc2ccccc2c(=O)n14.c14ccc(Cl)cc1.NC(=O)C3.S35 |
3726 | c1coc(CNc2nc(N3CCOCC3)nc3ccccc23)c1 | [C][=C][O][C][Branch2][Ring1][O][C][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c15nc6nc2ccccc12.N16CCOCC1.c1coc7c1.C47.N45 |
3727 | c1ccc(-c2cc3c(ncn4cnnc34)s2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][N][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][S][Ring1][N][C][=C][Ring2][Ring1][C] | c15cc2c(ncn3cnnc23)s1.c1ccc5cc1 |
3728 | O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2ccccc2[nH]1.c15ccccc1.O=C3C4.S46.N35 |
3729 | O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16nc2ccccc2[nH]1.c15ccc(F)cc1.O=C3C4.S46.N35 |
3730 | COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2[nH]1.c15ccc7cc1.C4(=O)C6.CO5.N47.S68 |
3731 | CC(C)CSc1nc2ccccc2n1CC(N)=O | [C][C][Branch1][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][N][=O] | c15nc2ccccc2n14.CC(C)C3.C4C(N)=O.S35 |
3732 | CSc1nc2ccccc2c(=O)n1Cc1ccco1 | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c15nc2ccccc2c(=O)n13.c14ccco1.CS5.C34 |
3733 | CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14nc2ccccc2c(=O)n13.c13ccc(F)cc1.CS4 |
3734 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(F)c(Br)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][C][F][C][Branch1][C][Br][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(F)c(Br)c1.CO2 |
3736 | Cc1nccn1CC(O)COc1ccc(Br)cc1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.Cc1nccn14.C4C(O)C2.O23 |
3737 | O=C(CCc1ccccc1)NCC1OCCc2ccccc21 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C4C1OCCc2ccccc21.c15ccccc1.O=C3CC5.N34 |
3739 | Cc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccccc1.C3CC(N)=O.N345.C46 |
3740 | Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccccc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1onc7c15.c17ccccc1.c16ccccc1.C4C6=O.C35=O.O34 |
3741 | COc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17ccccc1.C4C7=O.C36=O.CO5.O34 |
3742 | COc1cc(OC)cc(C(=O)OCC(=O)c2ccccc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c15cc6cc7c1.c18ccccc1.C4C8=O.C37=O.CO5.O6C.O34 |
3743 | COc1cccc(C(=O)OCC(=O)c2ccccc2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][O][C] | c15cccc7c16.c18ccccc1.C4C8=O.C37=O.CO5.O34.O6C |
3744 | CSc1nc(OC(=O)N(C)C)cc(-c2ccccc2)n1 | [C][S][C][=N][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c16nc5cc7n1.c17ccccc1.C34=O.N4(C)C.CS6.O35 |
3745 | COc1cccc(C2NC(=O)c3ccccc3N2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][Ring1][P][O][C] | C16NC(=O)c2ccccc2N1.c14cccc6c15.CO4.O5C |
3746 | O=C(COC(=O)c1ccco1)c1ccc(Cl)cc1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14ccco1.O=C5C3.C24=O.O23 |
3747 | Nc1cc(NC(=O)c2ccccc2O)ccc1Cl | [N][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][C][=C][Ring1][S][Cl] | Nc1cc4ccc1Cl.c15ccccc1O.C35=O.N34 |
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