ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1930738 | CC(c1ccncc1)(c1ccc(O)cc1)c1ccc(O)cc1 | [C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13ccc(O)cc1.c14ccc(O)cc1.c12ccncc1.CC234 |
1930739 | N#Cc1cnc2scc(Br)c2c1Br | [N][#C][C][=C][N][=C][S][C][=C][Branch1][C][Br][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br] | N#Cc1cnc2scc(Br)c2c1Br |
1930740 | CC1(C)CC(=O)N2CCc3cc(Br)c(O)c1c32 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Ring1][#C][=C][Ring1][Branch2][Ring1][O] | CC1(C)CC(=O)N2CCc3cc(Br)c(O)c1c32 |
1930741 | CC1=C(c2ccccc2)C2C=CC=CC2n2nccc21 | [C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][Ring1][=Branch1][N][N][=C][C][=C][Ring1][Branch1][Ring2][Ring1][Ring1] | CC1=C(c2ccccc2)C2C=CC=CC2n2nccc21 |
1930744 | CC(=O)Oc1cn(Cc2ccccc2)c2ccc(F)cc12 | [C][C][=Branch1][C][=O][O][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][P][Ring1][#Branch1] | c14cn5c2ccc(F)cc12.c16ccccc1.CC3=O.O34.C56 |
1930745 | COc1ccc2c(c1)c(OC(C)=O)cn2Cc1ccccc1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)c5cn26.c17ccccc1.C3(C)=O.CO4.O35.C67 |
1930746 | COc1cccc2c(OC(C)=O)cn(Cc3ccccc3)c12 | [C][O][C][=C][C][=C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=Ring1][S] | c15cccc2c6cn7c12.c18ccccc1.C4(C)=O.CO5.O46.C78 |
1930747 | O=C(CCC(=O)c1ccc(Cl)cc1)NC1CCC(O)CC1 | [O][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | O=C2CCC4=O.c14ccc(Cl)cc1.C13CCC(O)CC1.N23 |
1930748 | c1ccc(-c2noc(-c3cc(-c4ccco4)[nH]n3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][O][C][Branch1][P][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][NH1][N][=Ring1][#Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c1ccc7cc1.c17noc5n1.c15cc6[nH]n1.c16ccco1 |
1930749 | COc1ccc(C2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][N][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c14ccc(C2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1.CO4 |
1930750 | COc1ccc(OC)c(C2CC(=O)Nc3nc(C)[nH]c(=O)c32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][N][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Branch1] | c14ccc5c(C2CC(=O)Nc3nc(C)[nH]c(=O)c32)c1.CO4.O5C |
1930752 | COc1cccc2c1C(c1ccc3c(c1)CCO3)NCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring1][#C] | c14cccc2c1C(c1ccc3c(c1)CCO3)NCC2.CO4 |
1930753 | COc1ccc2c(c1)C(c1ccc3c(c1)CCO3)NCC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring1][S] | c14ccc2c(c1)C(c1ccc3c(c1)CCO3)NCC2.CO4 |
1930754 | COc1c(O)ccc2c1C(c1ccc3c(c1)CCO3)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring1][#C] | c14c(O)ccc2c1C(c1ccc3c(c1)CCO3)NCC2.CO4 |
1930755 | COc1c(O)ccc2c1C(c1ccc3[nH]ccc3c1)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][#C] | c14c(O)ccc2c1C(c1ccc3[nH]ccc3c1)NCC2.CO4 |
1930756 | COC(=O)c1ccc2c(c1)C(CCc1ccccc1)NCC2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c14ccc2c(c1)C(CC5)NCC2.c15ccccc1.C34=O.CO3 |
1930757 | COc1ccc(-n2cnc3c2N=C(O)CC3c2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][Ring1][Branch1][N][=C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | n15cnc2c1N=C(O)CC2c1cccnc1.c14ccc5cc1.CO4 |
1930758 | COc1cc(O)c2c(c1)C(c1ccc3[nH]ccc3c1)NCC2 | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][S] | c14cc(O)c2c(c1)C(c1ccc3[nH]ccc3c1)NCC2.CO4 |
1930759 | Oc1ccc2c(c1F)C(c1ccc3c(c1)CCO3)NCC2 | [O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring1][P] | Oc1ccc2c(c1F)C(c1ccc3c(c1)CCO3)NCC2 |
1930760 | Oc1ccc2c(c1F)C(c1ccc3[nH]ccc3c1)NCC2 | [O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][P] | Oc1ccc2c(c1F)C(c1ccc3[nH]ccc3c1)NCC2 |
1930761 | COc1ccc2c(c1F)C(CCc1ccccc1)NCC2 | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][S] | c13ccc2c(c1F)C(CC4)NCC2.c14ccccc1.CO3 |
1930762 | COc1ccc2c(c1F)C(c1ccc3c(c1)CCO3)NCC2 | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring1][P] | c14ccc2c(c1F)C(c1ccc3c(c1)CCO3)NCC2.CO4 |
1930763 | COc1cc2c(cc1F)CCNC2c1ccc2c(c1)CCO2 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][C][N][C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c13cc2c(cc1F)CCNC2c1ccc2c(c1)CCO2.CO3 |
1930764 | c1ccn2ncc(C3NCCc4ccc5c(c43)OCO5)c2c1 | [C][C][=C][N][N][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=Ring2][Ring1][=Branch1] | c1ccn2ncc(C3NCCc4ccc5c(c43)OCO5)c2c1 |
1930765 | CC(=O)Nc1ccc2c(c1)C(C=Cc1ccccc1)NCC2 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c14ccc2c(c1)C(C=5)NCC2.C=5c1ccccc1.CC3=O.N34 |
1930766 | Fc1cc(F)c2c(c1F)C(CCc1ccccc1)NCC2 | [F][C][=C][C][Branch1][C][F][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][F][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][S] | Fc1cc(F)c2c(c1F)C(CC3)NCC2.c13ccccc1 |
1930767 | Fc1cc2c(c(F)c1F)C(CCc1ccccc1)NCC2 | [F][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring2][Ring1][C] | Fc1cc2c(c(F)c1F)C(CC3)NCC2.c13ccccc1 |
1930768 | COc1c(F)ccc2c1C(CCc1ccccc1)NCC2 | [C][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][=C] | c13c(F)ccc2c1C(CC4)NCC2.c14ccccc1.CO3 |
1930769 | COc1c(F)ccc2c1C(c1ccc3c(c1)CCO3)NCC2 | [C][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring1][#C] | c14c(F)ccc2c1C(c1ccc3c(c1)CCO3)NCC2.CO4 |
1930770 | COc1cc2c(cc1F)C(c1ccc3c(c1)CCO3)NCC2 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring2][Ring1][C] | c14cc2c(cc1F)C(c1ccc3c(c1)CCO3)NCC2.CO4 |
1930771 | Fc1cc2c(c(F)c1F)CCNC2CCc1ccccc1 | [F][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][C][N][C][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Fc1cc2c(c(F)c1F)CCNC2CC3.c13ccccc1 |
1930772 | COc1cc(F)c2c(c1)C(CCc1ccccc1)NCC2 | [C][O][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c13cc(F)c2c(c1)C(CC4)NCC2.c14ccccc1.CO3 |
1930773 | COc1cc(F)c2c(c1)C(c1ccc3c(c1)CCO3)NCC2 | [C][O][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring1][S] | c14cc(F)c2c(c1)C(c1ccc3c(c1)CCO3)NCC2.CO4 |
1930775 | Oc1cc(F)c2c(c1)C(c1ccc3c(c1)CCO3)NCC2 | [O][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][Ring1][S] | Oc1cc(F)c2c(c1)C(c1ccc3c(c1)CCO3)NCC2 |
1930776 | Oc1cc(F)c2c(c1)C(c1ccc3[nH]ccc3c1)NCC2 | [O][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][S] | Oc1cc(F)c2c(c1)C(c1ccc3[nH]ccc3c1)NCC2 |
1930777 | Nc1cc(F)cc2c1CCNC2c1ccc2[nH]ccc2c1 | [N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][N][C][Ring1][=Branch1][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | Nc1cc(F)cc2c1CCNC2c1ccc2[nH]ccc2c1 |
1930778 | Oc1ccc(CCC2NCCc3cccc(Cl)c32)cc1 | [O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | C4CC1NCCc2cccc(Cl)c21.Oc1ccc4cc1 |
1930780 | OC(Cc1ccccc1)C1NCCc2cccc(Cl)c21 | [O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O] | OC(C3)C1NCCc2cccc(Cl)c21.c13ccccc1 |
1930781 | OC(Cc1ccccc1)C1NCCc2cc(Cl)ccc21 | [O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O] | OC(C3)C1NCCc2cc(Cl)ccc21.c13ccccc1 |
1930782 | COc1cc(C=CC2NCCc3ccc(O)cc32)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][O] | C=5C1NCCc2ccc(O)cc21.c14cc(C=5)ccc1O.CO4 |
1930784 | COc1cc(C=CC2NCCc3ccc(F)cc32)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][O] | C=5C1NCCc2ccc(F)cc21.c14cc(C=5)ccc1O.CO4 |
1930785 | Fc1ccc2c(c1)C(CCCOc1ccccc1)NCC2 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][P] | Fc1ccc2c(c1)C(CCC3)NCC2.c14ccccc1.O34 |
1930786 | COc1ccc(CCC2NCCc3c(F)cccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][N][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | C5CC1NCCc2c(F)cccc21.c14ccc5cc1.CO4 |
1930787 | COc1cc(C=CC2NCCc3c(F)cccc32)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][N][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][O] | C=5C1NCCc2c(F)cccc21.c14cc(C=5)ccc1O.CO4 |
1930788 | Fc1cccc2c1CCNC2CCCOc1ccccc1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Fc1cccc2c1CCNC2CCC3.c14ccccc1.O34 |
1930789 | COc1cccc2c1CCNC2c1ccc2[nH]nnc2c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c13cccc2c1CCNC2c1ccc2[nH]nnc2c1.CO3 |
1930790 | COc1cccc2c1CCNC2C(O)Cc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cccc2c1CCNC2C(O)C4.c14ccccc1.CO3 |
1930791 | COc1cccc2c1C(c1ccc3[nH]nnc3c1)NCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][#C] | c14cccc2c1C(c1ccc3[nH]nnc3c1)NCC2.CO4 |
1930792 | COc1ccc2c(c1)CCNC2c1ccc2[nH]nnc2c1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c13ccc2c(c1)CCNC2c1ccc2[nH]nnc2c1.CO3 |
1930793 | COc1cccc2c1C(c1cnc3ccccc3c1)NCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][Ring1][S] | c14cccc2c1C(c1cnc3ccccc3c1)NCC2.CO4 |
1930794 | COc1cccc2c1C(C(O)Cc1ccccc1)NCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c13cccc2c1C(C(O)C4)NCC2.c14ccccc1.CO3 |
1930795 | COc1ccc2c(c1)CCNC2C(O)Cc1ccccc1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc2c(c1)CCNC2C(O)C4.c14ccccc1.CO3 |
1930796 | Oc1cc(O)c2c(c1)C(c1ccc3[nH]nnc3c1)NCC2 | [O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][=C][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][S] | Oc1cc(O)c2c(c1)C(c1ccc3[nH]nnc3c1)NCC2 |
1930797 | Oc1cc(O)c2c(c1)C(c1cnc3ccccc3c1)NCC2 | [O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][Ring1][P] | Oc1cc(O)c2c(c1)C(c1cnc3ccccc3c1)NCC2 |
1930798 | Oc1cc(O)c2c(c1)C(C(O)Cc1ccccc1)NCC2 | [O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][S] | Oc1cc(O)c2c(c1)C(C(O)C3)NCC2.c13ccccc1 |
1930799 | C=C(Cc1ccccc1)C1NCCc2c(O)cc(O)cc21 | [C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring1][N] | C=C(C3)C1NCCc2c(O)cc(O)cc21.c13ccccc1 |
1930801 | OC(Cc1ccccc1)C1NCCc2ccc(Cl)cc21 | [O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O] | OC(C3)C1NCCc2ccc(Cl)cc21.c13ccccc1 |
1930802 | Oc1ccc(CCC2NCCc3c(Cl)cccc32)cc1 | [O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][N][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | C4CC1NCCc2c(Cl)cccc21.Oc1ccc4cc1 |
1930803 | OC(Cc1ccccc1)C1NCCc2c(Cl)cccc21 | [O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][O] | OC(C3)C1NCCc2c(Cl)cccc21.c13ccccc1 |
1930804 | Cc1ncnc(C)c1C1NCCc2c1ccc1ccccc21 | [C][C][=N][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | Cc1ncnc(C)c1C1NCCc2c1ccc1ccccc21 |
1930805 | CC(=O)N1CCCC1C1NCCc2c1ccc1ccccc21 | [C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | N13CCCC1C1NCCc2c1ccc1ccccc21.CC3=O |
1930806 | COc1ccc(OC)c2c1CCNC2C(=O)c1ccccc1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc4c2c1CCNC2C5=O.c15ccccc1.CO3.O4C |
1930807 | COc1ccc(OC)c2c1CCNC2Cc1cccs1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][C][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1] | c13ccc4c2c1CCNC2C5.c15cccs1.CO3.O4C |
1930808 | CCOc1c(O)ccc2c1C(C(=O)c1ccccc1)NCC2 | [C][C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][=C] | c14c(O)ccc2c1C(C5=O)NCC2.c15ccccc1.CC3.O34 |
1930809 | CCOc1cc2c(cc1O)C(C(=O)c1ccccc1)NCC2 | [C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][P] | c14cc2c(cc1O)C(C5=O)NCC2.c15ccccc1.CC3.O34 |
1930810 | CCOc1c(O)ccc2c1C(Cc1cccs1)NCC2 | [C][C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][Ring1][N] | c14c(O)ccc2c1C(C5)NCC2.c15cccs1.CC3.O34 |
1930811 | COc1ccc2c(c1OC)C(C(=O)c1ccccc1)NCC2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][P] | c13ccc2c(c14)C(C5=O)NCC2.c15ccccc1.CO3.O4C |
1930813 | COc1ccc2c(c1OC)C(Cc1cccs1)NCC2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][Ring1][#C] | c13ccc2c(c14)C(C5)NCC2.c15cccs1.CO3.O4C |
1930814 | COc1ccc2c(c1OC)CCNC2C(=O)c1ccccc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][C][N][C][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc2c(c14)CCNC2C5=O.c15ccccc1.CO3.O4C |
1930815 | COc1ccc2c(c1OC)CCNC2Cc1cccs1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][C][N][C][Ring1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1] | c13ccc2c(c14)CCNC2C5.c15cccs1.CO3.O4C |
1930816 | CCOc1cccc2c1CCNC2c1ccc2[nH]nnc2c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c14cccc2c1CCNC2c1ccc2[nH]nnc2c1.CC3.O34 |
1930817 | CCOc1cccc2c1CCNC2C(=O)c1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccc2c1CCNC2C5=O.c15ccccc1.CC3.O34 |
1930818 | CCOc1cccc2c1CCNC2C(O)Cc1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccc2c1CCNC2C(O)C5.c15ccccc1.CC3.O34 |
1930819 | COc1cc(C=CC2NCCc3ccccc32)ccc1O | [C][O][C][=C][C][Branch1][P][C][=C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][O] | C=5C1NCCc2ccccc21.c14cc(C=5)ccc1O.CO4 |
1930820 | CC(=O)NC(Cc1ccccc1)C1NCCc2ccccc21 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C4(C5)C1NCCc2ccccc21.c15ccccc1.CC3=O.N34 |
1930821 | COc1ccc2c(c1)C(c1ccc3[nH]nnc3c1)NCC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][S] | c14ccc2c(c1)C(c1ccc3[nH]nnc3c1)NCC2.CO4 |
1930822 | COc1ccc2c(c1)C(c1cnc3ccccc3c1)NCC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][Ring1][P] | c14ccc2c(c1)C(c1cnc3ccccc3c1)NCC2.CO4 |
1930823 | COc1ccc2c(c1)C(C(O)Cc1ccccc1)NCC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][S] | c13ccc2c(c1)C(C(O)C4)NCC2.c14ccccc1.CO3 |
1930825 | CCOc1ccc2c(c1)C(C(=O)c1ccccc1)NCC2 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c14ccc2c(c1)C(C5=O)NCC2.c15ccccc1.CC3.O34 |
1930826 | CCOc1ccc2c(c1)C(C(O)Cc1ccccc1)NCC2 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][S] | c14ccc2c(c1)C(C(O)C5)NCC2.c15ccccc1.CC3.O34 |
1930827 | CCOc1cccc2c1C(c1ccc3[nH]nnc3c1)NCC2 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][#C] | c15cccc2c1C(c1ccc3[nH]nnc3c1)NCC2.CC4.O45 |
1930828 | CCOc1ccc2c(c1)CCNC2c1ccc2[nH]nnc2c1 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c14ccc2c(c1)CCNC2c1ccc2[nH]nnc2c1.CC3.O34 |
1930829 | CCOc1cccc2c1C(C(=O)c1ccccc1)NCC2 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][=C] | c14cccc2c1C(C5=O)NCC2.c15ccccc1.CC3.O34 |
1930830 | CCOc1ccc2c(c1)CCNC2C(=O)c1ccccc1 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)CCNC2C5=O.c15ccccc1.CC3.O34 |
1930831 | CCOc1cccc2c1C(C(O)Cc1ccccc1)NCC2 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c14cccc2c1C(C(O)C5)NCC2.c15ccccc1.CC3.O34 |
1930832 | CCOc1ccc2c(c1)CCNC2C(O)Cc1ccccc1 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)CCNC2C(O)C5.c15ccccc1.CC3.O34 |
1930834 | O=c1cc(C2NCCc3cc4c(cc32)OCCO4)cc[nH]1 | [O][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][O][Ring1][Branch2][C][=C][NH1][Ring2][Ring1][Ring2] | O=c1cc(C2NCCc3cc4c(cc32)OCCO4)cc[nH]1 |
1930835 | COc1cc(C=CC2NCCc3c(O)cccc32)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][N][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][O] | C=5C1NCCc2c(O)cccc21.c14cc(C=5)ccc1O.CO4 |
1930836 | CN(C)c1ccc2c(c1)C(C(=O)c1ccccc1)NCC2 | [C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c13ccc2c(c1)C(C4=O)NCC2.c14ccccc1.CN3C |
1930837 | COc1c(O)ccc2c1C(C=Cc1ccc(O)cc1)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][Ring1][#C] | c13c(O)ccc2c1C(C=4)NCC2.C=4c1ccc(O)cc1.CO3 |
1930838 | COc1c(O)ccc2c1C(C=Cc1cccc(O)c1)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=C][C][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][Ring1][#C] | c13c(O)ccc2c1C(C=4)NCC2.C=4c1cccc(O)c1.CO3 |
1930839 | COc1c(O)ccc2c1C(C=Cc1ccccc1F)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][Ring1][#C] | c13c(O)ccc2c1C(C=4)NCC2.C=4c1ccccc1F.CO3 |
1930840 | COc1c(O)ccc2c1C(C=Cc1ccccc1O)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][Ring1][#C] | c13c(O)ccc2c1C(C=4)NCC2.C=4c1ccccc1O.CO3 |
1930841 | COc1c(O)ccc2c1C(c1ccc3[nH]nnc3c1)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=C][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][Ring1][#C] | c14c(O)ccc2c1C(c1ccc3[nH]nnc3c1)NCC2.CO4 |
1930842 | COc1c(O)ccc2c1C(C(=O)c1ccccc1)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][=C] | c13c(O)ccc2c1C(C4=O)NCC2.c14ccccc1.CO3 |
1930844 | COc1c(O)ccc2c1C(C(O)Cc1ccccc1)NCC2 | [C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c13c(O)ccc2c1C(C(O)C4)NCC2.c14ccccc1.CO3 |
1930846 | COC(=O)c1ccc2c(c1)C(C(=O)c1ccccc1)NCC2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c14ccc2c(c1)C(C5=O)NCC2.c15ccccc1.C34=O.CO3 |
1930847 | COc1cc(OC)c2c(c1)C(C(=O)c1ccccc1)NCC2 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][#C] | c13cc4c2c(c1)C(C5=O)NCC2.c15ccccc1.CO3.O4C |
1930848 | COc1cc(OC)c2c(c1)C(Cc1cccs1)NCC2 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][Ring1][=N] | c13cc4c2c(c1)C(C5)NCC2.c15cccs1.CO3.O4C |
1930849 | O=C(c1ccccc1)C1NCCc2c(O)ccc(Cl)c21 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][N] | O=C3C1NCCc2c(O)ccc(Cl)c21.c13ccccc1 |
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