ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1924795 | CC(C)Oc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C] | c17ccc2c(n1)OCCN4C2.C6(C)(C)C.CC5C.C34=O.O57.O36 |
1924796 | COC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][Ring2] | c18cccc9c1.N17CCN5CC1.C6(C)(C)C.C38=O.C45=O.CO3.C79.O46 |
1924797 | COC(=O)c1ccccc1CN1CCN(C(=O)OC(C)(C)C)CC1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N] | c17ccccc18.N16CCN4CC1.C5(C)(C)C.C27=O.C34=O.CO2.C68.O35 |
1924798 | Cc1cn(C2OC(CO)C(O)C2(C)O)c(=O)[nH]c1=O | [C][C][=C][N][Branch2][Ring1][Ring1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][Branch1][C][C][O][C][=Branch1][C][=O][NH1][C][Ring1][P][=O] | Cc1cn4c(=O)[nH]c1=O.C14OC3C(O)C1(C)O.C3O |
1924799 | O=C(NCCc1c[nH]cn1)c1ccc2cnccc2n1 | [O][=C][Branch1][O][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2cnccc2n1.c16c[nH]cn1.O=C35.C4C6.N34 |
1924800 | CC(C)(C)OC(=O)N1Cc2ccc(CCO)cc2C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2][C][Ring1][N] | N14Cc2ccc6cc2C1.CC5(C)C.C34=O.C6CO.O35 |
1924801 | CCOC(=O)c1ccc(Br)c2cccnc12 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Br)c2cccnc12.C35=O.CC4.O34 |
1924802 | COC(=O)c1cc(Br)cc2cccnc12 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c14cc(Br)cc2cccnc12.C34=O.CO3 |
1924804 | CCOC(=O)c1cc(Br)cc2cccnc12 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(Br)cc2cccnc12.C35=O.CC4.O34 |
1924806 | COC(=O)c1c(Br)ccc2cccnc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c14c(Br)ccc2cccnc12.C34=O.CO3 |
1924807 | CCOC(=O)c1c(Br)ccc2cccnc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15c(Br)ccc2cccnc12.C35=O.CC4.O34 |
1924808 | NC(=O)c1c(Br)ccc2cccnc12 | [N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c13c(Br)ccc2cccnc12.NC3=O |
1924809 | NC(=O)c1ccc(Br)c2cccnc12 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c13ccc(Br)c2cccnc12.NC3=O |
1924810 | COc1ccc(-n2cnc3cc(Br)ccc32)cc1OC | [C][O][C][=C][C][=C][Branch1][P][N][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring1][S][O][C] | n16cnc2cc(Br)ccc21.c14ccc6cc15.CO4.O5C |
1924811 | Clc1cccc(Cl)c1-c1cncc2nccn12 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][N][=C][C][=N][C][=C][N][Ring1][=Branch2][Ring1][Branch1] | c13cncc2nccn12.Clc1cccc(Cl)c13 |
1924813 | FC(F)(Br)C1=NCCN1c1ccccc1 | [F][C][Branch1][C][F][Branch1][C][Br][C][=N][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | FC(F)(Br)C1=NCCN12.c12ccccc1 |
1924814 | CCOc1ccnc2ccc(Br)cc12 | [C][C][O][C][=C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1] | c14ccnc2ccc(Br)cc12.CC3.O34 |
1924815 | CC(C)(C(=O)c1ccc(Br)cc1)c1nc[nH]n1 | [C][C][Branch1][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][=C][NH1][N][=Ring1][Branch1] | c12ccc(Br)cc1.CC3(C)C2=O.c13nc[nH]n1 |
1924816 | CC(=O)c1cccc(-c2nc3ccccc3n2C)n1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][Ring1][S] | c15nc2ccccc2n1C.c14cccc5n1.CC4=O |
1924817 | CC(C)(C)OC(=O)NC1CCC(=O)c2ccccc21 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N4C1CCC(=O)c2ccccc21.CC5(C)C.C34=O.O35 |
1924818 | Cc1nc2ccccc2cc1NC(=O)OC(C)(C)C | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | Cc1nc2ccccc2cc16.C5(C)(C)C.C34=O.N46.O35 |
1924819 | COC(=O)c1cnc2c(Br)cccc2c1 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c14cnc2c(Br)cccc2c1.C34=O.CO3 |
1924820 | O=C1OC2(CCCCC2)C(=O)C1c1ccc(Cl)cc1Cl | [O][=C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | O=C1OC2(CCCCC2)C(=O)C13.c13ccc(Cl)cc1Cl |
1924821 | Cn1c(=O)[nH]c2ccc(OCc3ccccc3)cc21 | [C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][C] | Cn1c(=O)[nH]c2ccc5cc21.c16ccccc1.O45.C46 |
1924822 | Cn1c(=O)[nH]c2cc(OCc3ccccc3)ccc21 | [C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C] | Cn1c(=O)[nH]c2cc5ccc21.c16ccccc1.O45.C46 |
1924823 | COc1cccc2c(=O)n(N)c(-c3ccc(Cl)cc3)nc12 | [C][O][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][Ring1][=Ring1][#C] | c14cccc2c(=O)n(N)c5nc12.c15ccc(Cl)cc1.CO4 |
1924824 | COC(=O)CC1c2ccccc2CN1C(=O)OC(C)(C)C | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | C3(=O)CC1c2ccccc2CN15.C6(C)(C)C.C45=O.CO3.O46 |
1924825 | CCOC(=O)N1CCC2(CC1)OCCc1ccccc12 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | N14CCC2(CC1)OCCc1ccccc12.C34=O.CC5.O35 |
1924826 | COC(=O)c1ccc(OC)c2nc(C(F)(F)F)ccc12 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][S][Ring1][#Branch2] | c15ccc4c2nc6ccc12.C6(F)(F)F.C35=O.CO3.O4C |
1924828 | CN(c1ccccc1)c1ccncc1S(N)(=O)=O | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O] | c13ccncc1S(N)(=O)=O.c12ccccc1.CN23 |
1924829 | CN(C(=O)OC(C)(C)C)C1CC1c1cc(O)ccc1OCC1CC1 | [C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][Ring1][Ring1] | c19cc(O)ccc16.C4(C)(C)C.C17CC19.CN37.C23=O.C18CC1.O24.O56.C58 |
1924831 | O=C1CCC2(C(=O)OCc3ccccc3)CCCN12 | [O][=C][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring2][Ring1][C][Ring1][#C] | O=C1CCC26CCCN12.c17ccccc1.C46=O.O45.C57 |
1924832 | Fc1cnc2[nH]c(C3CC3)cc2c1Br | [F][C][=C][N][=C][NH1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Ring1][Branch2][=C][Ring1][N][Br] | Fc1cnc2[nH]c4cc2c1Br.C14CC1 |
1924833 | Clc1cnc2[nH]c(C3CC3)cc2c1Br | [Cl][C][=C][N][=C][NH1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Ring1][Branch2][=C][Ring1][N][Br] | Clc1cnc2[nH]c4cc2c1Br.C14CC1 |
1924834 | FC(F)(F)c1c(Br)cnc2[nH]ccc12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][Branch1][C][Br][C][=N][C][NH1][C][=C][C][Ring1][#Branch2][=Ring1][Branch1] | c13c(Br)cnc2[nH]ccc12.FC3(F)F |
1924835 | CCOC(=O)c1cc2cccnc2n1C(=O)OC(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | c17cc2cccnc2n1C4=O.C6(C)(C)C.C37=O.CC5.O35.O46 |
1924836 | CCOC(=O)c1cc2cc(OCC)cnc2n1C(=O)OC(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][O][C][C][=C][N][=C][Ring1][=Branch2][N][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | c19cc2cc8cnc2n1C4=O.C7(C)(C)C.C39=O.CC5.O35.O68.C6C.O47 |
1924837 | CCOC(=O)c1cc2cc(O)cnc2n1C(=O)OC(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | c17cc2cc(O)cnc2n1C4=O.C6(C)(C)C.C37=O.CC5.O35.O46 |
1924838 | CCOC(=O)c1cc2cc(C)cnc2n1C(=O)OC(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | c17cc2cc(C)cnc2n1C4=O.C6(C)(C)C.C37=O.CC5.O35.O46 |
1924839 | CC(C)(C)OC(=O)Cn1ccc2cc(Br)cnc21 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] | n15ccc2cc(Br)cnc21.CC4(C)C.C3(=O)C5.O34 |
1924841 | CC(C)(C)OC(=O)n1cc(F)c2cc(Br)cnc21 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring1][O] | C3(=O)n1cc(F)c2cc(Br)cnc21.CC4(C)C.O34 |
1924843 | CCOC(=O)CCn1ccc2c(Cl)ccnc21 | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] | n15ccc2c(Cl)ccnc21.C3(=O)CC5.CC4.O34 |
1924844 | CCOC(=O)c1cc2c(N)c(C(=O)OCC)n(C)c2nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][=Ring1][N][N][=C][Ring1][S][C] | c18cc2c(N)c7n(C)c2nc1C.C38=O.C47=O.CC5.O35.O46.C6C |
1924846 | CN(C)C(=O)Cc1cc2c(Br)ccnc2[nH]1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][N][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c14cc2c(Br)ccnc2[nH]1.C3(=O)C4.CN3C |
1924847 | CNC(=O)Cc1cc2c(Br)ccnc2[nH]1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][N][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c14cc2c(Br)ccnc2[nH]1.C3(=O)C4.CN3 |
1924848 | CC(C)(C)OC(=O)Cc1cc2c(Br)ccnc2[nH]1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][N][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c15cc2c(Br)ccnc2[nH]1.CC4(C)C.C3(=O)C5.O34 |
1924849 | NC(=O)c1[nH]c2ncc(Br)cc2c1N | [N][C][=Branch1][C][=O][C][NH1][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N] | c13[nH]c2ncc(Br)cc2c1N.NC3=O |
1924850 | CCOC(=O)c1[nH]c2ncccc2c1NC(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17[nH]c2ncccc2c16.c18ccccc1.C37=O.C48=O.CC5.O35.N46 |
1924851 | COC(=O)c1[nH]c2ncccc2c1Br | [C][O][C][=Branch1][C][=O][C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Br] | c14[nH]c2ncccc2c1Br.C34=O.CO3 |
1924852 | COC(=O)c1cc2cc(S(C)(=O)=O)cnc2[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][N][=C][Ring1][#Branch2][NH1][Ring1][=N] | c14cc2cc(S(C)(=O)=O)cnc2[nH]1.C34=O.CO3 |
1924853 | COC(=O)c1cc2cc(NC(=O)C(C)(C)C)cnc2n1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][N][=C][Ring1][=N][N][Ring1][S][C] | c16cc2cc5cnc2n1C.C4(=O)C(C)(C)C.C36=O.CO3.N45 |
1924854 | CCOC(=O)c1cc2c(C(=O)OCC)c(C)[nH]c2nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][NH1][C][=Ring1][O][N][=C][Ring1][#C][C] | c17cc2c8c(C)[nH]c2nc1C.C37=O.C48=O.CC5.O35.O46.C6C |
1924855 | CN(C)C(=O)c1c[nH]c2nccc(Br)c12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][#Branch1] | c14c[nH]c2nccc(Br)c12.CN3C.C34=O |
1924856 | CNC(=O)c1c[nH]c2ncc(Br)cc12 | [C][N][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1] | c14c[nH]c2ncc(Br)cc12.C34=O.CN3 |
1924857 | CCOC(=O)c1cn(C(C)(C)C)c2nc(N)ccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][=C][Ring1][#Branch1] | c15cn6c2nc(N)ccc12.C6(C)(C)C.C35=O.CC4.O34 |
1924858 | CNC(=O)CN1CC2(CCCCN2C(=O)OC)C1=O | [C][N][C][=Branch1][C][=O][C][N][C][C][Branch1][=C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=N][=O] | N16CC2(CCCCN25)C1=O.C4(=O)C6.C35=O.CN4.O3C |
1924859 | O=C1N(CCOc2ccccc2)CC12CN(Cc1ccccc1)C2 | [O][=C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | O=C1N6CC12CN5C2.c14ccccc1.c17ccccc1.C6C3.O34.C57 |
1924862 | CCOC(=O)c1cc(OC(C)=O)c2cc(N3CCOCC3)ccc2c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring2][Ring1][Ring2] | c19cc7c2cc8ccc2c1.N18CCOCC1.C49=O.C5(C)=O.CC6.O46.O57 |
1924863 | COC(=O)c1cc(O)c2cc(N3CCOCC3)ccc2c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring1][P] | c16cc(O)c2cc5ccc2c1.N15CCOCC1.C46=O.CO4 |
1924864 | COc1cc2c(Cl)c(C#N)cnc2c(OC)c1OC | [C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][N][=C][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C] | c13cc2c(Cl)c(C#N)cnc2c4c15.CO3.O4C.O5C |
1924865 | CCOc1cc2c(Cl)c(C#N)cnc2cc1F | [C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][N][=C][Ring1][=Branch2][C][=C][Ring1][=N][F] | c14cc2c(Cl)c(C#N)cnc2cc1F.CC3.O34 |
1924866 | COCCOc1ccc2c(Cl)c(C#N)cnc2c1 | [C][O][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][C][#N][C][=N][C][Ring1][=Branch2][=C][Ring1][=N] | c15ccc2c(Cl)c(C#N)cnc2c1.C3C4.CO3.O45 |
1924867 | COCCOc1cc2c(Cl)c(C#N)cnc2cc1F | [C][O][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][N][=C][Ring1][=Branch2][C][=C][Ring1][=N][F] | c15cc2c(Cl)c(C#N)cnc2cc1F.C3C4.CO3.O45 |
1924868 | N#Cc1cnc2c(C(F)(F)F)cccc2c1Cl | [N][#C][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][Cl] | N#Cc1cnc2c3cccc2c1Cl.C3(F)(F)F |
1924871 | COc1cc2c(Cl)c(C#N)cnc2cc1NC(C)=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][N][=C][Ring1][=Branch2][C][=C][Ring1][=N][N][C][Branch1][C][C][=O] | c14cc2c(Cl)c(C#N)cnc2cc15.C3(C)=O.CO4.N35 |
1924872 | COc1cc2ncc(C#N)c(Cl)c2cc1NC(C)=O | [C][O][C][=C][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=C][Ring1][=N][N][C][Branch1][C][C][=O] | c14cc2ncc(C#N)c(Cl)c2cc15.C3(C)=O.CO4.N35 |
1924873 | CC(=O)Nc1c[nH]c2ncc(Br)c(F)c12 | [C][C][=Branch1][C][=O][N][C][=C][NH1][C][=N][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][O][Ring1][Branch2] | c14c[nH]c2ncc(Br)c(F)c12.CC3=O.N34 |
1924877 | CC(C)CC(=O)Nc1c[nH]c2ncc(Br)c(F)c12 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=N][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][O][Ring1][Branch2] | c14c[nH]c2ncc(Br)c(F)c12.CC(C)CC3=O.N34 |
1924879 | Cc1csc(C(C)CNC(=O)Nc2cccc(N3CCCC3)c2)n1 | [C][C][=C][S][C][Branch2][Ring1][=N][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][=N][Ring2][Ring1][#Branch1] | c17cccc8c1.Cc1csc9n1.N18CCCC1.C9(C)C6.C45=O.N46.N57 |
1924882 | CCC1(C)CCCN(C(=O)Nc2ccccc2CN2CCNC2=O)C1 | [C][C][C][Branch1][C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=O][C][Ring2][Ring1][#Branch1] | C17(C)CCCN3C1.c15ccccc18.N16CCNC1=O.C34=O.CC7.N45.C68 |
1924884 | Cc1cc(NC(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)no1 | [C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring1][=C][=N][O][Ring2][Ring1][=Branch1] | N15CCN6CC1.c18ccc(Cl)cn1.Cc1cc7no1.C45=O.N47.C68 |
1924885 | CC(C)(O)C1CCCN1C(=O)NCc1ccc(-n2cncn2)cc1 | [C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O] | c17ccc8cc1.C16CCCN13.n18cncn1.CC6(C)O.C34=O.N45.C57 |
1924887 | CCCn1cc(CNc2nnc(-c3ccoc3C)o2)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][C][=C][O][C][=Ring1][Branch1][C][O][Ring1][O][C][=N][Ring2][Ring1][C] | n16cc7cn1.c15nnc8o1.c18ccoc1C.CCC6.C47.N45 |
1924889 | CCc1nn(C)c(CC)c1S(=O)(=O)NCC(O)c1ccsc1 | [C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1] | c14nn(C)c5c1S3(=O)=O.c16ccsc1.C2C6O.CC4.C5C.N23 |
1924891 | Cc1nn(C)c(C)c1CCCNC(=O)N1CCCC1C(C)(C)O | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O] | Cc1nn(C)c(C)c16.N13CCCC15.C6CC4.C5(C)(C)O.C23=O.N24 |
1924892 | FC(F)(F)c1nn(C2CCCC2)c2ccncc12 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=C][Ring1][=Branch1] | c13nn4c2ccncc12.C14CCCC1.FC3(F)F |
1924893 | Cc1cc(Cn2nc(C)c(CCO)c2C)c2ccccc2n1 | [C][C][=C][C][Branch2][Ring1][C][C][N][N][=C][Branch1][C][C][C][Branch1][Ring2][C][C][O][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc4c2ccccc2n1.n13nc(C)c5c1C.C5CO.C34 |
1924894 | COc1cc2ccncc2cc1OCc1noc(-c2ccoc2)n1 | [C][O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][=N][O][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][Ring1][#Branch2] | c14cc2ccncc2cc15.c16noc7n1.c17ccoc1.CO4.O35.C36 |
1924895 | COc1ccc2c(c1)C(=O)CCN2C(=O)c1cc2ccccc2o1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c14ccc2c(c1)C(=O)CCN23.c15cc2ccccc2o1.C35=O.CO4 |
1924896 | CC(Nc1nnc(C(C)(C)C)s1)c1nnc2n1CCC2 | [C][C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1] | c15nnc2n1CCC2.c14nnc6s1.C6(C)(C)C.CC35.N34 |
1924897 | Cn1cc(-c2cccc(CNc3ccc(S(C)(=O)=O)nc3)c2)cn1 | [C][N][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch1] | c15ccc(S(C)(=O)=O)nc1.c17cccc6c1.Cn1cc7cn1.C46.N45 |
1924898 | COC(=O)c1coc(C(=O)N(C)C(C)Cc2cccs2)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][P] | c17coc6c1.c18cccs1.C5(C)C8.C37=O.C46=O.N45C.CO3 |
1924900 | CC(=O)c1ccc(NC(=O)N2CCN(c3ncc(F)cn3)CC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c18ccc7cc1.N15CCN6CC1.c16ncc(F)cn1.CC8=O.C45=O.N47 |
1924901 | O=C(c1cc[nH]n1)N1CCc2c1cccc2C(F)(F)F | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][=C][Ring1][Branch1][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | N13CCc2c5cccc21.c14cc[nH]n1.C5(F)(F)F.O=C34 |
1924902 | CC1(CCNC(=O)NCC2(c3ccc(F)cc3F)CC2)OCCO1 | [C][C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][O][O][C][C][O][Ring2][Ring1][#Branch1] | c1%10ccc(F)cc1F.CC18OCCO1.C19%10CC1.C8C6.C45=O.N46.N57.C79 |
1924905 | O=S(=O)(Cc1noc2ccccc12)NCc1cc2ccccc2[nH]1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c15noc2ccccc12.c16cc2ccccc2[nH]1.O=S4(=O)C5.N34.C36 |
1924906 | Cc1ccc2c(c1)C(NS(=O)(=O)Cc1noc3ccccc13)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][O][Ring2][Ring1][Ring2] | Cc1ccc2c(c1)C(N4)CO2.c15noc2ccccc12.S4(=O)(=O)C5 |
1924907 | Cn1ccc(CNC(=O)NCCCC2CCCCO2)c1 | [C][N][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cn1ccc8c1.C17CCCCO1.C6CC7.C34=O.C58.N35.N46 |
1924908 | CCOc1ccc2cc(C(=O)NCCCC3CCCCO3)[nH]c2c1 | [C][C][O][C][=C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][O][Ring1][=Branch1][NH1][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2cc8[nH]c2c1.C19CCCCO1.C7CC9.C48=O.CC5.O56.N47 |
1924909 | Cc1cccc(CS(=O)(=O)Nc2ccc(F)cn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][C] | Cc1cccc5c1.c14ccc(F)cn1.C5S3(=O)=O.N34 |
1924910 | COc1cc[nH]c(=NS(=O)(=O)Cc2ccccc2F)c1 | [C][O][C][C][=C][NH1][C][=Branch2][Ring1][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring2][Ring1][C] | c13cc[nH]c(=NS(=O)(=O)C4)c1.c14ccccc1F.CO3 |
1924911 | Cc1nc(CN(C)c2ncccc2C(=O)OC(C)C)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][S][Ring2][Ring1][Ring2] | c16ncccc17.Cc1nc8cs1.N56C.C37=O.C4(C)C.C58.O34 |
1924912 | CC(C)OC(=O)c1cccnc1N1CCCC(c2cn[nH]c2)C1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][Ring1][O] | c16cccnc15.N15CCCC7C1.c17cn[nH]c1.CC4C.C36=O.O34 |
1924913 | Cc1cncc(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 | [C][C][=C][N][=C][C][Branch2][Ring1][N][N][C][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][=N][Ring2][Ring1][#Branch1] | c17cccc(S5(=O)=O)c1.Cc1cncc6n1.N15CCCCC1.N46.C47 |
1924914 | Cc1cncc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 | [C][C][=C][N][=C][C][Branch2][Ring1][N][N][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][#Branch1] | Cc1cncc5n1.C16CCN4CC1.c17ccccc1.S4(=O)(=O)C7.N56 |
1924915 | O=C(NC1C=CCCC1)NC1CS(=O)(=O)c2ccccc21 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][C][C][Ring1][=Branch1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N4C1CS(=O)(=O)c2ccccc21.C15C=CCCC1.O=C34.N35 |
1924916 | CC1(CO)CCN(C(=O)NC2CC3CCCc4cccc2c43)CC1 | [C][C][Branch1][Ring1][C][O][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][=C][C][=C][C][Ring1][O][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][#Branch1] | N6C1CC2CCCc3cccc1c32.CC17CCN5CC1.C56=O.C7O |
1924917 | O=c1[nH]nc2n1CCN(Cc1nnc(-c3cccs3)o1)C2 | [O][=C][NH1][N][=C][N][Ring1][Branch1][C][C][N][Branch2][Ring1][C][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][Ring1][P] | O=c1[nH]nc2n1CCN4C2.c15nnc6o1.c16cccs1.C45 |
1924918 | O=C1NCCN(C(=O)c2cc3ccccc3o2)c2ccccc21 | [O][=C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | O=C1NCCN4c2ccccc21.c15cc2ccccc2o1.C45=O |
1924919 | COc1ccc(OC)c(CNC(=O)c2coc(C3CC3)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | c15ccc6c9c1.c18coc%10n1.C48=O.C1%10CC1.CO5.O6C.C79.N47 |
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