ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
6730 | CCOC(=O)c1cc(OC(C)=O)c2ccc(OC)c(OC)c2c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][C] | c19cc6c2ccc7c8c2c1.C39=O.C4(C)=O.CC5.O35.O46.O7C.O8C |
6731 | O=C(CSc1nc2ccccc2o1)NCc1ccc2c(c1)OCO2 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17nc2ccccc2o1.c16ccc2c(c1)OCO2.O=C3C5.S57.N34.C46 |
6732 | O=C(Cn1nnc(-c2ccccc2Cl)n1)NC1CCCC1 | [O][=C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][N][N][C][C][C][C][C][Ring1][Branch1] | c16ccccc1Cl.n15nnc6n1.C14CCCC1.O=C3C5.N34 |
6733 | O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccco1 | [O][=C][Branch2][Ring1][#Branch2][C][N][N][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][=C][N][C][C][=C][C][=C][O][Ring1][Branch1] | c18ccc2c(c1)OCO2.n16nnc8n1.c17ccco1.O=C4C6.N45.C57 |
6735 | CC(C)(C)NC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][Ring1][#C] | c16ccc(S(C)(=O)=O)cc1.n15nnc6n1.CC4(C)C.C3(=O)C5.N34 |
6736 | Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccccc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1noc(C)c1S3(=O)=O.c14ccccc1.N23C.C24 |
6737 | COc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring1][P] | S4(=O)(=O)c1c(C)noc1C.c13ccc5cc1.CO3.N45 |
6738 | Cc1noc(C)c1S(=O)(=O)N(C(C)C)C(C)C | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C] | Cc1noc(C)c1S4(=O)=O.N234.C2(C)C.C3(C)C |
6739 | Cc1cc(C)nc(SCC(=O)c2ccc(F)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc5n1.c14ccc(F)cc1.C3C4=O.S35 |
6740 | Cc1noc(C)c1S(=O)(=O)NCc1cccs1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1noc(C)c1S3(=O)=O.c14cccs1.N23.C24 |
6741 | Cc1noc(C)c1S(=O)(=O)NCc1ccccn1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1noc(C)c1S3(=O)=O.c14ccccn1.N23.C24 |
6742 | Cc1noc(C)c1C(=O)NCc1ccc(Cl)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1noc(C)c14.c15ccc(Cl)cc1.C24=O.N23.C35 |
6743 | Cc1noc(C)c1C(=O)NCc1c(F)cccc1Cl | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c15c(F)cccc1Cl.Cc1noc(C)c14.C24=O.N23.C35 |
6745 | COc1cc(-c2ccc(O)cc2)cc(=O)c2c(C)oc(C)c12 | [C][O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] | c13cc4cc(=O)c2c(C)oc(C)c12.c14ccc(O)cc1.CO3 |
6746 | CC1(C)C(=O)OC(c2cccs2)C(C)(C)C1=O | [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][#C][=O] | CC1(C)C(=O)OC3C(C)(C)C1=O.c13cccs1 |
6747 | COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][N][C][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][=C][C][=C][Ring2][Ring1][Branch1][O] | c16cc5c2c(C)oc(C)c2c(=O)c1.c14cc6ccc1O.CO4.O5C |
6748 | COc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][N][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N][C][C][=C][Ring2][Ring1][Ring1] | n15c(C)c2c(C)nnc(C)c2c1C.c14ccc5cc1.CO4 |
6749 | Cc1noc(C)c1C(=O)Oc1ccc(Cl)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1noc(C)c14.c13ccc(Cl)cc1.C24=O.O23 |
6750 | CCOc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][N][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N][C][C][=C][Ring2][Ring1][Ring1] | n16c(C)c2c(C)nnc(C)c2c1C.c15ccc6cc1.CC4.O45 |
6751 | CCOc1cc(-c2cc(=O)c3ccccc3o2)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=C][C][=C][Ring1][P][O] | c16cc(=O)c2ccccc2o1.c15cc6ccc1O.CC4.O45 |
6753 | COc1cc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][O][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][O] | c15cc(O)c2c(C)oc(C)c2c(=O)c1.c14cc5ccc1O.CO4 |
6754 | CCOc1cc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][O][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][O] | c16cc(O)c2c(C)oc(C)c2c(=O)c1.c15cc6ccc1O.CC4.O45 |
6755 | COC(=O)c1ccc(CSc2ccccn2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc6cc1.c17ccccn1.C35=O.CO3.C46.S47 |
6756 | Cc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)s1 | [C][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Branch1][C][C][S][Ring2][Ring1][Branch1] | Cc1cc(S4(=O)=O)c(C)s1.N14CCN5CC1.c15ccccc1 |
6758 | COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCC2CCCO2)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][O][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch1] | C17NC(=O)NC(C)=C1C3=O.c15cccc7c1.C16CCCO1.CO5.O34.C46 |
6759 | COc1ccc(NC(=O)CSc2nnc(C(C)C)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][N][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c18nnc7n1N.C3(=O)C5.C7(C)C.CO4.N36.S58 |
6762 | Nn1c(SCC(=O)NCc2ccccc2)nnc1C(F)(F)F | [N][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F] | Nn1c6nnc18.c17ccccc1.C5C3=O.C6(F)(F)F.S58.N34.C47 |
6763 | Cc1noc(C)c1S(=O)(=O)N1CC(C)OC(C)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | Cc1noc(C)c1S2(=O)=O.N12CC(C)OC(C)C1 |
6764 | NC(=O)c1cccc(S(=O)(=O)N2CC(c3ccccc3)CC2=O)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][=O][=C][Ring2][Ring1][Branch1] | c14cccc(S(=O)(=O)N2CC5CC2=O)c1.c15ccccc1.NC4=O |
6765 | CC1=C(C(=O)OCC2CCCO2)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][O][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)C6NC(=O)N1.c16ccc(F)cc1.C15CCCO1.O34.C45 |
6768 | Cc1nn(CC(=O)Nc2ccc(CC#N)cc2)c(C)c1Cl | [C][C][=N][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1nn5c(C)c1Cl.c14ccc6cc1.C5C3=O.C6C#N.N34 |
6769 | COc1cccc(OCC(=O)Nc2ccc(CC#N)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c15cccc6c1.c17ccc8cc1.C4C3=O.C8C#N.CO5.O46.N37 |
6771 | Cc1ccc(C)c(OCC(=O)Nc2nccs2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][P] | Cc1ccc(C)c5c1.c16nccs1.C4C3=O.O45.N36 |
6773 | COC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 | [C][O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c16ccc2c(=O)c8coc2c1.c18ccccc17.C45=O.CO4.O56.O7C |
6774 | Cc1noc(C)c1-c1nnc(-c2cccc(Cl)c2)o1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring1][N] | Cc1noc(C)c13.c14cccc(Cl)c1.c13nnc4o1 |
6777 | Cc1noc(C)c1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][Ring1][#C] | Cc1noc(C)c14.c15ccc3cc1.c14nnc5o1.C3(F)(F)F |
6778 | COc1ccc(-c2nnc(-c3c(C)noc3C)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][O][Ring1][N][C][=C][Ring2][Ring1][C] | c14ccc5cc1.c16c(C)noc1C.c15nnc6o1.CO4 |
6779 | Cc1cccc(NC(=O)CSc2nc3c(N)ncnc3[nH]2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c17nc2c(N)ncnc2[nH]1.Cc1cccc6c1.C4(=O)C5.N46.S57 |
6781 | Cc1cccc(OCC(O)Cn2cnc3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | n16cnc2ccccc21.Cc1cccc5c1.C4C(O)C6.O45 |
6782 | COc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][N][N][=C][Branch1][C][C][C][Branch1][C][C][=N][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring1][P][O][C] | c16cn2nc(C)c(C)nc2n1.c14ccc6cc15.CO4.O5C |
6783 | OC12CC(C3COC1O3)n1c(nc3ccccc31)CO2 | [O][C][C][C][Branch1][#Branch2][C][C][O][C][Ring1][#Branch1][O][Ring1][Branch1][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][O][Ring2][Ring1][Ring1] | OC12CC(C3COC1O3)n1c(nc3ccccc31)CO2 |
6786 | Cc1noc(C)c1-c1nnc(-c2cccc(C(F)(F)F)c2)o1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][Ring1][#C] | Cc1noc(C)c14.c15cccc3c1.c14nnc5o1.C3(F)(F)F |
6787 | COc1ccccc1N1CCN(C(=O)c2snnc2C)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][=C] | c14ccccc15.N15CCN3CC1.c16snnc1C.C36=O.CO4 |
6788 | COc1ccc2oc(C(F)(F)C(F)F)cc(=O)c2c1 | [C][O][C][=C][C][=C][O][C][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P] | c13ccc2oc4cc(=O)c2c1.C4(F)(F)C(F)F.CO3 |
6790 | COc1ccccc1N1CCN(C(=O)c2cc(C)on2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=C] | c14ccccc15.N15CCN3CC1.c16cc(C)on1.C36=O.CO4 |
6792 | NC(=O)C1CCCN(C(=O)NC2CCCCC2)C1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C] | C16CCCN3C1.C15CCCCC1.NC6=O.C34=O.N45 |
6793 | CC(C)C(=O)N1CCN(c2nc3ccccc3o2)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2o1.N14CCN5CC1.CC(C)C4=O |
6795 | Cc1noc(C)c1-c1nc(CSc2ccccc2N)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][O][Ring1][=C] | Cc1noc(C)c16.c15ccccc1N.c16nc4no1.C34.S35 |
6796 | CC(=O)Nc1nonc1NC(=O)CSc1ccccn1 | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15nonc16.c17ccccn1.C3(=O)C4.CC2=O.N25.N36.S47 |
6799 | Nc1ccccc1SCc1noc(-c2cccs2)n1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=N][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | Nc1ccccc15.c14noc6n1.c16cccs1.S35.C34 |
6801 | COc1ccc(NC(=O)CCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc5cc1.c16ccccc1.C3(=O)CC6.CO4.N35 |
6804 | Cc1ccc(-c2csc(-c3cnccn3)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c15csc4n1.c14cnccn1 |
6805 | Brc1ccc(-c2csc(-c3cnccn3)n2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | Brc1ccc5cc1.c15csc4n1.c14cnccn1 |
6806 | COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccccc1F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][N][O][C][Branch1][Ring1][C][O][=C][C][Ring1][Branch2][=O][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C3(=O)C1=C(N)Oc2c(oc4cc2=O)C1c1ccccc1F.CO3.C4O |
6807 | CC(=O)c1ccc(OC(=O)Cc2cc(F)cc(F)c2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c16cc(F)cc(F)c1.c15ccc4cc1.C3(=O)C6.CC5=O.O34 |
6808 | O=C(Cc1cc(F)cc(F)c1)NCc1ccco1 | [O][=C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | c15cc(F)cc(F)c1.c14ccco1.O=C2C5.N23.C34 |
6810 | O=C(c1cccs1)n1nccc1-c1cccs1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=C2n1nccc13.c12cccs1.c13cccs1 |
6811 | Cc1ccc(-n2nnnc2S(C)(=O)=O)c(C)c1 | [C][C][=C][C][=C][Branch1][S][N][N][=N][N][=C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring1][S] | n13nnnc1S(C)(=O)=O.Cc1ccc3c(C)c1 |
6812 | CC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][Ring1][S] | N14CCC6CC1.c16nc5no1.c15cccs1.CC4=O |
6813 | CC(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C] | C14OC6C(O)C(O)C1O.c15ccc3cc1.CC5=O.N34.C6O |
6815 | c1ccc2c(c1)NC(c1ccc3c(c1)OCO3)S2 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring1][#C] | c1ccc2c(c1)NC4S2.c14ccc2c(c1)OCO2 |
6816 | CCOC(=O)c1cc(C)n(Cc2ccncc2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Ring1][=N][C] | c15cc(C)n6c1C.c17ccncc1.C35=O.CC4.O34.C67 |
6817 | COc1cc2ccc(=O)oc2c(O)c1OCC=C(C)C | [C][O][C][=C][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][N][O][C][C][=C][Branch1][C][C][C] | c14cc2ccc(=O)oc2c(O)c15.C3C=6.C=6(C)C.CO4.O35 |
6818 | CSc1scc(N)c1S(=O)(=O)C(C)C | [C][S][C][S][C][=C][Branch1][C][N][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C] | c12scc(N)c1S(=O)(=O)C(C)C.CS2 |
6819 | COc1cc2ccc(=O)oc2c(OC(C)=O)c1OCC=C(C)C | [C][O][C][=C][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#C][O][C][C][=C][Branch1][C][C][C] | c15cc2ccc(=O)oc2c6c17.C3(C)=O.C4C=8.C=8(C)C.CO5.O36.O47 |
6820 | Cc1[nH]c(C)c2c(=O)n(Cc3ccccc3)ncc12 | [C][C][NH1][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=Ring2][Ring1][C][Ring1][=C] | Cc1[nH]c(C)c2c(=O)n4ncc12.c15ccccc1.C45 |
6821 | Cc1c2cn[nH]c(=O)c2c(C)n1Cc1cccs1 | [C][C][=C][C][=N][NH1][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][O][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1c2cn[nH]c(=O)c2c(C)n13.c14cccs1.C34 |
6822 | COc1cc2ccc(=O)oc2c(OC(C)=O)c1OC(C)=O | [C][O][C][=C][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#C][O][C][Branch1][C][C][=O] | c15cc2ccc(=O)oc2c6c17.C3(C)=O.C4(C)=O.CO5.O36.O47 |
6828 | N#Cc1nc2sc3nc4ccccc4n3c2nc1C#N | [N][#C][C][=N][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Ring1][N][N][=C][Ring1][S][C][#N] | N#Cc1nc2sc3nc4ccccc4n3c2nc1C#N |
6829 | O=S(=O)(NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S4(=O)c1ccc(Cl)cc1.c15ccc2c(c1)CCO2.N34.C35 |
6830 | O=C(NCc1ccc2c(c1)CCO2)c1cccs1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c16ccc2c(c1)CCO2.c15cccs1.O=C35.N34.C46 |
6831 | O=S(=O)(NCc1ccc2c(c1)CCO2)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S4(=O)c1ccccc1.c15ccc2c(c1)CCO2.N34.C35 |
6832 | O=S(=O)(NCc1ccc2c(c1)CCO2)c1cccs1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c15ccc2c(c1)CCO2.O=S4(=O)c1cccs1.N34.C35 |
6833 | O=C(NCc1ccc2c(c1)CCO2)Nc1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc2c(c1)CCO2.c16ccccc1.O=C34.N35.C57.N46 |
6834 | c1ccc(C2CC(c3ccccc3)n3nnnc3N2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | C14CC(c2ccccc2)n2nnnc2N1.c1ccc4cc1 |
6835 | Cc1ccccc1NC(=O)NCc1ccc2c(c1)CCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c17ccc2c(c1)CCO2.Cc1ccccc16.C34=O.N36.N45.C57 |
6836 | Cc1ccc(C2CC(c3ccccc3)n3nnnc3N2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | C14CC(c2ccccc2)n2nnnc2N1.Cc1ccc4cc1 |
6837 | Cc1ccc(NC(=O)c2cn3c(=O)cc(C)nc3s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][S][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16cn2c(=O)cc(C)nc2s1.Cc1ccc5cc1.C46=O.N45 |
6838 | CCOC(=O)c1sc(-c2ccc3c(c2)CCO3)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c17ccc2c(c1)CCO2.c16sc7nc1C.C46=O.CC5.O45 |
6839 | CCOC(=O)c1csc(-c2ccc3c(c2)CCO3)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][=C] | c17ccc2c(c1)CCO2.c16csc7n1.C46=O.CC5.O45 |
6842 | Clc1ccc(C2CC(c3ccccc3)Nc3nnnn32)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][N][Ring1][Branch1][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Clc1ccc(C2CC4Nc3nnnn32)cc1.c14ccccc1 |
6843 | Clc1ccc(C2CC(c3ccccc3)n3nnnc3N2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | C14CC(c2ccccc2)n2nnnc2N1.Clc1ccc4cc1 |
6844 | Cc1nc2c(cnn2-c2ccccc2)c(=O)n1CC(N)=O | [C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][Branch1][C][N][=O] | Cc1nc2c(cnn24)c(=O)n13.c14ccccc1.C3C(N)=O |
6845 | Cc1c(Nc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][S][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1][C] | c14ncnc2ccccc12.Cc1c5c(=O)n6n1C.c16ccccc1.N45 |
6846 | Cc1n[nH]c(=O)nc1NCc1ccc2c(c1)OCO2 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.Cc1n[nH]c(=O)nc14.N34.C35 |
6848 | CC(=O)Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=O] | c14ncc2c(n1)CC5CC2=O.c15ccc(F)cc1.CC3=O.N34 |
6849 | N#CCc1nc(-c2ccc3c(c2)OCCCO3)cs1 | [N][#C][C][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=C][S][Ring1][S] | c15ccc2c(c1)OCCCO2.c14nc5cs1.N#CC4 |
6850 | CC(=O)Nc1nonc1NC(=O)c1ccc(Br)cc1 | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c16ccc(Br)cc1.c14nonc15.CC2=O.C36=O.N24.N35 |
6851 | CC(=O)Nc1nonc1NC(=O)c1ccc(C)cc1 | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c16ccc(C)cc1.c14nonc15.CC2=O.C36=O.N24.N35 |
6853 | COc1ccc(OC)c(C2NC(=O)c3ccccc3N2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][Ring2][Ring1][Ring1] | C16NC(=O)c2ccccc2N1.c14ccc5c6c1.CO4.O5C |
6854 | Fc1ccc(-c2csc(-c3ccno3)n2)cc1F | [F][C][=C][C][=C][Branch1][P][C][=C][S][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S][F] | Fc1ccc5cc1F.c15csc4n1.c14ccno1 |
6855 | c1cc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)on1 | [C][C][=C][Branch2][Ring1][N][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=C][S][Ring1][S][O][N][=Ring2][Ring1][Branch1] | c16ccc2c(c1)OCCCO2.c15nc6cs1.c1cc5on1 |
6856 | N#Cc1ccc(-c2csc(-c3ccno3)n2)cc1 | [N][#C][C][=C][C][=C][Branch1][P][C][=C][S][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | N#Cc1ccc5cc1.c15csc4n1.c14ccno1 |
6857 | Cn1c(=O)c2c(nc(NCc3ccccc3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc5n2C)n(C)c1=O.c16ccccc1.N45.C46 |
6858 | CC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15cc(Cl)cc(Cl)c1.C4C3=O.CC2=O.O24.N35 |
6860 | O=S(=O)(Cc1noc(-c2ccno2)n1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][C][=N][O][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S(=O)(C3)c1ccc(F)cc1.c13noc4n1.c14ccno1 |
6861 | COc1ccc(Br)c(-c2nc(-c3ccccn3)no2)c1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][C] | c14ccc(Br)c6c1.c16nc5no1.c15ccccn1.CO4 |
6862 | Cc1noc(C)c1-c1nc(-c2ccc(C(F)(F)F)cn2)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=N][O][Ring1][#C] | Cc1noc(C)c15.c14ccc3cn1.c15nc4no1.C3(F)(F)F |
6863 | CCn1nc(C)c(Br)c1-c1nc(-c2ccccn2)no1 | [C][C][N][N][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | n13nc(C)c(Br)c14.c14nc5no1.c15ccccn1.CC3 |
6864 | Fc1ccc(-c2nc(-c3ccccn3)no2)c(Cl)c1 | [F][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][C][Cl][=C][Ring2][Ring1][C] | Fc1ccc5c(Cl)c1.c15nc4no1.c14ccccn1 |
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