ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1931738 | CSc1cc(C(=O)NCc2ccncc2)ccn1 | [C][S][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][S] | c17cc5ccn1.c16ccncc1.C35=O.CS7.N34.C46 |
1931739 | CCc1nnc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch1][S][Ring2][Ring1][Branch1] | c16cc8nc2onc(C)c12.c17nnc5s1.C46=O.C8(C)C.CC7.N45 |
1931740 | Cc1cc(-c2cc(C(=O)NCCO)c3c(C)noc3n2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][O][C][=C][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring1][S][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | c17cc6c2c(C)noc2n1.Cc1cc7c(C)o1.C46=O.C5CO.N45 |
1931741 | CSc1cc(C(=O)Nc2nc3ccccc3s2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=N][Ring2][Ring1][C] | c15nc2ccccc2s1.c17cc6ccn1.C46=O.CS7.N45 |
1931742 | Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccnn3C(C)C)c12 | [C][C][=N][O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] | Cc1noc2nc8cc6c12.c15ccnn17.C8(C)C.C46=O.C7(C)C.N45 |
1931743 | CCCc1nnc(NC(=O)c2cc(C(C)C)nc3onc(C)c23)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch1][S][Ring2][Ring1][Branch1] | c16cc8nc2onc(C)c12.c17nnc5s1.CCC7.C46=O.C8(C)C.N45 |
1931744 | CSc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][Ring1] | c15nc2ccc(C)cc2s1.c17cc6ccn1.C46=O.CS7.N45 |
1931747 | CCOc1ccccc1OC(=O)c1ccnc(SC)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][S][C][=C][Ring1][Branch2] | c14ccccc15.c16ccnc7c1.C26=O.CC3.O34.O25.S7C |
1931748 | CSc1cc(C(=O)Nc2nc3c(C)cccc3s2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][Ring1] | c15nc2c(C)cccc2s1.c17cc6ccn1.C46=O.CS7.N45 |
1931749 | COc1cc(C)ccc1OC(=O)c1ccnc(SC)c1 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][S][C][=C][Ring1][Branch2] | c13cc(C)ccc14.c15ccnc6c1.C25=O.CO3.O24.S6C |
1931750 | CSc1cc(C(=O)Oc2cccc(NC(C)=O)c2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][Ring1] | c18cc7ccn1.c15cccc6c1.C37=O.C4(C)=O.CS8.O35.N46 |
1931753 | Cn1cc(C(=O)Nc2cccc(-n3cnnn3)c2)c(C(F)(F)F)n1 | [C][N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][#Branch1] | Cn1cc6c7n1.c15cccc8c1.n18cnnn1.C7(F)(F)F.C46=O.N45 |
1931755 | CSc1ccc(OC(=O)c2cc(NC(C)=O)ccc2F)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][F][C][=C][Ring2][Ring1][Ring2] | c17cc6ccc1F.c18ccc5cc1.C37=O.C4(C)=O.CS8.O35.N46 |
1931756 | CSc1cc(C(=O)N2CCN(C(C)C)CC2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][C][=N][Ring1][P] | c16cc5ccn1.N13CCN4CC1.C35=O.C4(C)C.CS6 |
1931757 | O=C(CCc1ncc(-c2ccccc2Br)o1)N1CCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][C][=N][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][Ring1][N][N][C][C][C][Ring1][Ring2] | c15ccccc1Br.c14ncc5o1.O=C3CC4.N13CCC1 |
1931758 | CSc1cc(C(=O)N(C)C(C)c2cccs2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=N][Ring1][P] | c17cc5ccn1.c16cccs1.C35=O.N34C.C46C.CS7 |
1931759 | COc1cc(CNC(=O)c2ccnc(SC)c2)ccn1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][=C][C][=N][Ring2][Ring1][C] | c14cc7ccn1.c16ccnc8c1.C36=O.CO4.C57.N35.S8C |
1931760 | CCc1ccsc1C(=O)N1CCOC(C)(C)C1 | [C][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | N12CCOC(C)(C)C1.c14ccsc13.C23=O.CC4 |
1931761 | COc1cccc(C2CCCN2C(=O)c2ccccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Branch1] | c14cccc7c1.c16ccccc15.C17CCCN13.C36=O.CO4.O5C |
1931762 | O=C(COc1ccccc1O)N1CCc2sccc2C1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2] | N13CCc2sccc2C1.c15ccccc1O.O=C3C4.O45 |
1931763 | O=C(COc1ccccc1O)NCC1(c2ccccc2)CCC1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2] | c15ccccc1O.c18ccccc1.C178CCC1.O=C3C4.O45.N36.C67 |
1931764 | NC(=O)c1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.N14CCC7CC1.c17ccc(O)cc1.NC5=O.C46=O |
1931765 | NC(=O)Nc1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 | [N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch1] | c16cccc7c1.N15CCC8CC1.c18ccc(O)cc1.NC4=O.C57=O.N46 |
1931766 | NC(=O)Nc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 | [N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.N15CCC8CC1.c18ccc(O)cc1.NC4=O.C57=O.N46 |
1931767 | CN(CC(=O)NC1CC1)C(=O)c1occc1COc1ccccc1 | [C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18occc19.c15ccccc1.C6C2=O.CN36.C17CC1.C38=O.N27.C49.O45 |
1931768 | Cc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)oc1C | [C][C][N][=C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][O][C][=Ring2][Ring1][=Branch1][C] | Cc1nc8oc1C.N14CCC6CC1.c17ccccc1.C5C4=O.S58.C67 |
1931769 | O=C1CCC(COC(=O)CCC(=O)c2ccc(F)cc2)N1 | [O][=C][C][C][C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring2] | C3(=O)CCC5=O.c15ccc(F)cc1.O=C1CCC6N1.C46.O34 |
1931771 | COc1ccc(C2CCCN2C(=O)c2ccccc2OC)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc8cc16.c17ccccc15.C18CCCN13.C37=O.CO4.O5C.O6C |
1931773 | CC(C)c1ccsc1C(=O)N1CCOC(C)(C)C1 | [C][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | N12CCOC(C)(C)C1.c14ccsc13.CC4C.C23=O |
1931774 | COc1cccc2sc(NC(=O)c3ccnc(SC)c3)nc12 | [C][O][C][=C][C][=C][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][=N][C][Ring2][Ring1][Ring2][=Ring1][S] | c15cccc2sc6nc12.c17ccnc8c1.C47=O.CO5.N46.S8C |
1931775 | CSc1cc(C(=O)Nn2c(C)nc3sccc3c2=O)ccn1 | [C][S][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][C][Branch1][C][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][=C][C][=N][Ring2][Ring1][Ring2] | C4(=O)Nn1c(C)nc2sccc2c1=O.c15cc4ccn1.CS5 |
1931776 | Cc1c(C(=O)NCCCC(=O)NC2CC2)oc2c(C)cccc12 | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][#Branch1] | Cc1c7oc2c(C)cccc12.C5CCC4=O.C37=O.C16CC1.N35.N46 |
1931777 | CSc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][C][=N][Ring2][Ring1][Branch1] | c17cc6ccn1.N14CCN5CC1.c15ccc(O)cc1.C46=O.CS7 |
1931778 | CC(C(=O)N(C)CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 | [C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | CC(C2=O)S(=O)(=O)c1ccc(F)cc1.C4C3=O.N24C.C15CC1.N35 |
1931779 | COC(=O)c1sccc1NC(=O)c1ccnc(SC)c1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][S][C][=C][Ring1][Branch2] | c16ccnc7c1.c15sccc14.C25=O.C36=O.CO2.N34.S7C |
1931780 | Cc1nc(-c2cccc(NC(=O)CNC(=O)CC(C)(C)C)c2)cs1 | [C][C][=N][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][=C][S][Ring2][Ring1][#Branch1] | c17cccc6c1.C4(=O)CC(C)(C)C.Cc1nc7cs1.C3(=O)C5.N36.N45 |
1931781 | CCN(CCNC(=O)c1cc(C(N)=O)cs1)c1cccc(C)c1 | [C][C][N][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][S][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c16cccc(C)c1.c17cc8cs1.N346.C4C5.C27=O.C8(N)=O.CC3.N25 |
1931782 | Cc1cc(NC(=O)C2CCN(c3cc(F)cc(F)c3)C2=O)no1 | [C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=N][=O][=N][O][Ring2][Ring1][=Branch1] | c17cc(F)cc(F)c1.C16CCN7C1=O.Cc1cc5no1.C46=O.N45 |
1931783 | Cc1ccc(N2CCC(C(=O)Nc3cc(C)on3)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.N17CCC6C1=O.c15cc(C)on1.C46=O.N45 |
1931784 | Cc1cc(C(=O)N2CC(=O)Nc3cnccc32)cc(C)c1F | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][F] | N14CC(=O)Nc2cnccc21.Cc1cc5cc(C)c1F.C45=O |
1931785 | Cc1c(O)cccc1C(=O)NCC(C)(O)C1CCCC1 | [C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1] | Cc1c4cccc1O.C3C5(C)O.C15CCCC1.C24=O.N23 |
1931786 | CC(C)n1cccc1C(=O)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 | [C][C][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][NH1][N][=C][C][=Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.n16cccc15.c14[nH]ncc17.CC6C.C35=O.N34 |
1931787 | CCNC(=O)NC1CCC(OC(=O)c2cccn2C(C)C)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][Branch1][C][C][C][C][C][Ring1][P] | C18CCC6CC1.c19cccn1%10.C45=O.C39=O.C%10(C)C.CC7.N47.N58.O36 |
1931788 | O=C(c1ccc(Br)cn1)N1CCC(n2ccnn2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O] | c14ccc(Br)cn1.N13CCC5CC1.n15ccnn1.O=C34 |
1931789 | Cc1cc(F)cc2c(=O)c(C(=O)NC3(C)CCOC3)c[nH]c12 | [C][C][=C][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][S][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][O][C][Ring1][=Branch1][=C][NH1][C][Ring2][Ring1][Branch1][=Ring1][S] | Cc1cc(F)cc2c(=O)c6c[nH]c12.C15(C)CCOC1.C46=O.N45 |
1931790 | CCc1ccc(C(=O)NCC#Cc2ccccn2)cc1S(C)(=O)=O | [C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc5cc1S(C)(=O)=O.C4C#Cc1ccccn1.C35=O.CC6.N34 |
1931791 | CC(C)(C)n1ncc2c(Oc3cncc(Br)c3)ncnc21 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][=C][Branch1][=N][O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][=C][Ring1][P] | n16ncc2c4ncnc21.c15cncc(Br)c1.CC6(C)C.O45 |
1931792 | COc1cccc(N(C)S(=O)(=O)Cc2c(F)cccc2F)n1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Ring2] | c16c(F)cccc1F.c13cccc5n1.S4(=O)(=O)C6.N45C.CO3 |
1931793 | O=C(CCCn1cccc1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 | [O][=C][Branch1][O][C][C][C][N][C][=C][C][=C][Ring1][Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][C][Ring1][#C] | N13CCN4CC1.c15ccc(=O)[nH]c1.O=C3CCC6.n16cccc1.C45=O |
1931794 | Cc1cnccc1NC(=O)NCCCN1CCCC1=O | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O] | Cc1cnccc15.N16CCCC1=O.C4CC6.C23=O.N25.N34 |
1931795 | Cc1cc(C(=O)N2CCOCC2)ccc1NCc1nnc(C(C)C)o1 | [C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][Branch2] | Cc1cc6ccc15.N13CCOCC1.c17nnc8o1.C36=O.C8(C)C.N45.C47 |
1931796 | C#CCN(Cc1cnc2cnccn12)C1CCc2ccccc21 | [C][#C][C][N][Branch1][#C][C][C][=C][N][=C][C][=N][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N34C1CCc2ccccc21.c15cnc2cnccn12.C#CC3.C45 |
1931797 | CN(Cc1ccc2c(c1)OCO2)Cc1cnc(C2CC2)s1 | [C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | c16ccc2c(c1)OCO2.c15cnc7s1.CN34.C17CC1.C36.C45 |
1931798 | Cc1cc(Cl)cc(C)c1CN1CCN(S(N)(=O)=O)CC1 | [C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | N12CCN(S(N)(=O)=O)CC1.Cc1cc(Cl)cc(C)c13.C23 |
1931799 | CCS(=O)(=O)N1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][P][C][C][=C][NH1][N][=C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][S] | N14CCN3CC1.c16c[nH]nc15.CCS4(=O)=O.C5(C)(C)C.C36 |
1931800 | CCS(=O)(=O)N1CCN(Cc2cc(F)c(F)cc2F)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][P][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][C][Ring1][S] | c15cc(F)c(F)cc1F.N14CCN3CC1.CCS4(=O)=O.C35 |
1931801 | COCC(=O)N1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O][C][C][Ring2][Ring1][C] | c17ccc5c(F)c1.N13CCN6CC1.C4C3=O.O5C(F)F.CO4.C67 |
1931802 | C#CCOc1ccc(CN2CCN(C(=O)COC)CC2)cc1 | [C][#C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][O][C][C][C][Ring1][O][C][=C][Ring2][Ring1][C] | c16ccc8cc1.N17CCN3CC1.C3(=O)C5.C#CC4.O46.C78.O5C |
1931803 | COCC(=O)N1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F][C][C][Ring2][Ring1][C] | c16cc7ccc1F.N13CCN5CC1.C4C3=O.C7(F)(F)F.CO4.C56 |
1931805 | O=C(c1cccc2ccccc12)N1CCN(Cc2cncs2)CC1 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][C][=C][N][=C][S][Ring1][Branch1][C][C][Ring1][N] | c15cccc2ccccc12.N13CCN4CC1.c16cncs1.O=C35.C46 |
1931806 | CCOC(=O)c1cnn(C2CCCN(c3cccc(C#N)n3)C2)c1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][C][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=N][Ring1][Branch2][C][Ring1][=C][C][=Ring2][Ring1][Ring1] | c16cccc(C#N)n1.C18CCCN6C1.c17cnn8c1.C47=O.CC5.O45 |
1931807 | c1coc(C2CN(Cc3ccccc3OCC3CCCO3)CCO2)c1 | [C][=C][O][C][Branch2][Ring1][#C][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][O][Ring1][Branch1][C][C][O][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=Branch2] | C19CN6CCO1.c18ccccc15.c1coc9c1.C17CCCO1.C68.O45.C47 |
1931808 | Cc1nnc(COC(=O)c2csc(C(C)C)n2)n1C1CC1 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][N][Ring1][P][C][C][C][Ring1][Ring1] | Cc1nnc6n18.c15csc7n1.C35=O.C7(C)C.C18CC1.C46.O34 |
1931809 | Cc1nnc(COC(=O)c2ccc(Br)cn2)n1C1CC1 | [C][C][=N][N][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][N][Ring1][S][C][C][C][Ring1][Ring1] | Cc1nnc6n17.c15ccc(Br)cn1.C35=O.C17CC1.C46.O34 |
1931812 | Cc1cscc1C(=O)OCc1nnc(C)n1C1CC1 | [C][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c15nnc(C)n16.Cc1cscc14.C24=O.C16CC1.O23.C35 |
1931817 | CCC(NCc1nnc(C)s1)c1ccc2c(c1)OCCO2 | [C][C][C][Branch1][=N][N][C][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15nnc(C)s1.CCC36.N34.C45 |
1931818 | Cc1cc(NC(=O)N(C)CC(O)C(F)(F)F)c2ncccc2c1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1cc6c2ncccc2c1.C5C(O)C(F)(F)F.C34=O.N45C.N36 |
1931819 | Cn1cc(C(C)(O)CNC2CCCc3cc(F)ccc32)cn1 | [C][N][C][=C][Branch2][Ring1][O][C][Branch1][C][C][Branch1][C][O][C][N][C][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=N][Ring2][Ring1][Branch1] | N4C1CCCc2cc(F)ccc21.Cn1cc5cn1.C5(C)(O)C4 |
1931820 | Cc1cccc(C(C)(C)NCC(=O)NCC2CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][C] | Cc1cccc8c1.C48(C)C.C5C3=O.C17CC1.N45.N36.C67 |
1931821 | COc1cccc(F)c1C(C)NCC(=O)Nc1nncs1 | [C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1] | c13cccc(F)c17.c16nncs1.C5C2=O.C47C.CO3.N45.N26 |
1931822 | CCC1Oc2cc(C(C)NCCc3scnc3C)ccc2NC1=O | [C][C][C][O][C][=C][C][Branch1][S][C][Branch1][C][C][N][C][C][C][S][C][=N][C][=Ring1][Branch1][C][=C][C][=C][Ring1][P][N][C][Ring2][Ring1][Branch1][=O] | C16Oc2cc8ccc2NC1=O.c17scnc1C.C48C.C5C7.CC6.N45 |
1931823 | CCn1cnnc1C1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][P] | c15cccc(Cl)c1C.C17CCCN3C1.n16cnnc17.C34=O.CC6.N45 |
1931824 | CC(NCC(=O)N(C)C)c1ccc(-c2ccncc2)cc1 | [C][C][Branch1][N][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | c16ccc7cc1.c17ccncc1.C5C3=O.CC46.N3(C)C.N45 |
1931825 | CC(NCC(=O)Nc1nncs1)c1c(F)cccc1Cl | [C][C][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c16c(F)cccc1Cl.c15nncs1.C4C2=O.CC36.N34.N25 |
1931826 | Cn1cc(CN2CCN(C(=O)CC(F)(F)F)CC2)c(C(C)(C)C)n1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][#Branch1] | Cn1cc6c5n1.N14CCN3CC1.C3(=O)CC(F)(F)F.C5(C)(C)C.C46 |
1931827 | CCc1nn(C)cc1CN1CCN(C(=O)OCC(C)C)CC1 | [C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][C][Ring1][=N] | c16nn(C)cc17.N15CCN3CC1.C4C(C)C.C23=O.CC6.C57.O24 |
1931828 | COC(=O)CN(Cc1ccccc1Cl)c1ncccn1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][C][=C][C][=N][Ring1][=Branch1] | c16ccccc1Cl.c15ncccn1.C2(=O)C3.N345.CO2.C46 |
1931829 | Fc1cnc(NCC2COC3(CCCCC3)O2)nc1 | [F][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2][N][=C][Ring2][Ring1][C] | C16COC2(CCCCC2)O1.Fc1cnc5nc1.N45.C46 |
1931830 | Cc1ccnc(N(Cc2ccccc2)CC(C)(C)O)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][O][=N][Ring2][Ring1][Ring1] | Cc1ccnc5n1.c16ccccc1.C4C(C)(C)O.N345.C36 |
1931831 | CC(C)(O)CN(Cc1ccccc1)c1ncc(F)cn1 | [C][C][Branch1][C][C][Branch1][C][O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] | c14ncc(F)cn1.c15ccccc1.CC(C)(O)C2.N234.C35 |
1931832 | Cc1nc(-c2ccc(NC(=O)c3cncc(F)c3)cc2Cl)n[nH]1 | [C][C][=N][C][Branch2][Ring1][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][S][Cl][=N][NH1][Ring2][Ring1][=Branch1] | c17ccc5cc1Cl.c16cncc(F)c1.Cc1nc7n[nH]1.C46=O.N45 |
1931833 | CCC(c1ccncc1)N(C)Cc1nc2ccccc2c(=O)n1C | [C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | c15nc2ccccc2c(=O)n1C.c16ccncc1.CCC36.N34C.C45 |
1931834 | COc1ccc(C(NCc2nccc(N)n2)C2CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][=C][N][C][C][=N][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1] | c13ccc8cc1.c16nccc(N)n1.C478.C17CC1.CO3.N45.C56 |
1931835 | Cc1noc(CNC(c2nc(C)no2)C(C)C)n1 | [C][C][=N][O][C][Branch2][Ring1][Branch1][C][N][C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Branch1][C][C][C][=N][Ring1][P] | Cc1noc5n1.c16nc(C)no1.C46C(C)C.C35.N34 |
1931836 | O=C(NCc1cccc(-c2ccccn2)c1)N1CCCCC1CCO | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][N][N][C][C][C][C][C][Ring1][=Branch1][C][C][O] | c17cccc8c1.N14CCCCC16.c18ccccn1.O=C34.C6CO.N35.C57 |
1931837 | Cc1csc(C(C#N)C(=O)c2cccc(Nc3cnccn3)c2)n1 | [C][C][=C][S][C][Branch2][Ring1][=N][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1] | c16cccc5c1.Cc1csc7n1.C7(C#N)C6=O.c14cnccn1.N45 |
1931838 | COCCc1ccc(OC(=O)c2ccn3cncc3c2)cc1 | [C][O][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c17ccn2cncc2c1.c18ccc6cc1.C5C8.C47=O.CO5.O46 |
1931839 | CC(Nc1ccc(Cl)cc1Cl)C(=O)N1CCCS1(=O)=O | [C][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O] | c14ccc(Cl)cc1Cl.N12CCCS1(=O)=O.CC3C2=O.N34 |
1931841 | COCc1cccc(OC(=O)c2ccn3cncc3c2)c1 | [C][O][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][=C][Ring2][Ring1][C] | c17ccn2cncc2c1.c18cccc6c1.C47=O.CO5.C58.O46 |
1931842 | O=C(OCCn1cnc2ccsc2c1=O)c1ccn2cncc2c1 | [O][=C][Branch2][Ring1][C][O][C][C][N][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2] | n16cnc2ccsc2c1=O.c15ccn2cncc2c1.O=C35.C4C6.O34 |
1931843 | COC1CCC(OC(=O)c2ccn3cncc3c2)CC1 | [C][O][C][C][C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][C][Ring2][Ring1][C] | c17ccn2cncc2c1.C15CCC6CC1.C47=O.CO5.O46 |
1931844 | COc1ccc(C(C)NCCc2nc(C)no2)c(Br)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][N][C][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][C] | c13ccc7c(Br)c1.c16nc(C)no1.C47C.C5C6.CO3.N45 |
1931845 | COc1nc2ccccc2cc1CNC1CCN(C(C)C)C1=O | [C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O] | c13nc2ccccc2cc17.C15CCN6C1=O.C6(C)C.CO3.C47.N45 |
1931846 | CCOc1cc(CNC(=O)c2ccncc2CC)ccn1 | [C][C][O][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][Ring2][Ring1][C] | c15cc8ccn1.c17ccncc19.C37=O.CC4.O45.C68.N36.C9C |
1931847 | CCc1cnccc1C(=O)N1CCN(C(C)C(=O)NC(C)C)CC1 | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=C] | c17cnccc16.N12CCN4CC1.C4(C)C3=O.C26=O.C5(C)C.CC7.N35 |
1931848 | CC(C)CCn1ccc(NC2CCN(C(N)=O)CC2)n1 | [C][C][Branch1][C][C][C][C][N][C][=C][C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=N][Ring1][#C] | C15CCN3CC1.n16ccc4n1.CC(C)CC6.C3(N)=O.N45 |
1931849 | COc1cccc(C2C(c3nc(C4CC4)no3)CC(=O)N2C2CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | C17C8CC(=O)N16.c15cccc7c1.c18nc9no1.C19CC1.C16CC1.CO5 |
1931850 | Cn1ncnc1CNC(=O)N1CCOC(Cc2ccccc2)C1 | [C][N][N][=C][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | N14CCOC6C1.Cn1ncnc17.c18ccccc1.C34=O.C57.N35.C68 |
1931851 | Cc1ccc(NC(=O)N(C)CC(C)(C)CN2CCOCC2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1] | Cc1ccc7cn1.C5C(C)(C)C6.N16CCOCC1.C34=O.N45C.N37 |
1931852 | O=C(NCC(=O)N1CCOCC1)C1CCC(F)(F)CC1 | [O][=C][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2] | C15CCC(F)(F)CC1.N13CCOCC1.C4C3=O.O=C25.N24 |
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