ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
45765 | CN(C)c1nnnn1-c1ccc(S(=O)(=O)N(C)C)cc1 | [C][N][Branch1][C][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] | c14ccc(S2(=O)=O)cc1.c13nnnn14.CN3C.N2(C)C |
45766 | Cc1nn2c(-c3ccccn3)ccnc2c1Br | [C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=N][C][Ring1][N][=C][Ring1][#C][Br] | Cc1nn2c4ccnc2c1Br.c14ccccn1 |
45767 | O=C(NCc1cccnc1)c1cc(C(=O)C2CC2)c[nH]1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][NH1][Ring1][#Branch2] | c18cccnc1.c15cc7c[nH]1.O=C35.C67=O.C16CC1.N34.C48 |
45768 | O=C(NCc1ccco1)c1cc(C(=O)C2CC2)c[nH]1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][NH1][Ring1][#Branch2] | c15cc7c[nH]1.c18ccco1.O=C35.C67=O.C16CC1.N34.C48 |
45769 | O=C(NC1CCCCCC1)c1cc(C(=O)C2CC2)c[nH]1 | [O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][NH1][Ring1][#Branch2] | C14CCCCCC1.c15cc7c[nH]1.O=C35.C67=O.C16CC1.N34 |
45770 | COc1ccc(CNC(=O)c2cc(C(=O)C3CCCCC3)c[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | c15ccc%10cc1.c17cc9c[nH]1.C18CCCCC1.C47=O.C89=O.CO5.C6%10.N46 |
45771 | O=C(NCc1ccccc1)c1cc(C(=O)C2CCCCC2)c[nH]1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=N] | c18ccccc1.c15cc7c[nH]1.C16CCCCC1.O=C35.C67=O.N34.C48 |
45772 | O=C(NCc1ccco1)c1cc(C(=O)C2CCCCC2)c[nH]1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=N] | c15cc7c[nH]1.C16CCCCC1.c18ccco1.O=C35.C67=O.N34.C48 |
45773 | O=C(NCC1CCCO1)c1cc(C(=O)C2CCCCC2)c[nH]1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=N] | c15cc7c[nH]1.C16CCCCC1.C18CCCO1.O=C35.C67=O.N34.C48 |
45774 | O=C(NCCc1ccccn1)c1cc(C(=O)C2CCCCC2)c[nH]1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=N] | c18ccccn1.c15cc7c[nH]1.C16CCCCC1.O=C35.C4C8.C67=O.N34 |
45775 | O=C(NCc1ccncc1)c1cc(C(=O)C2CCCCC2)c[nH]1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=N] | c18ccncc1.c15cc7c[nH]1.C16CCCCC1.O=C35.C67=O.N34.C48 |
45776 | Nc1ccc(S(=O)(=O)Nc2nccc(-c3ccc(F)cc3)n2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | Nc1ccc(S4(=O)=O)cc1.c15nccc6n1.c16ccc(F)cc1.N45 |
45777 | COC(=O)c1sccc1-n1cc(-c2ccccc2)nn1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] | c14sccc15.n15cc6nn1.c16ccccc1.C34=O.CO3 |
45778 | O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1cccs1 | [O][=C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][N][C][C][=C][C][=C][S][Ring1][Branch1] | c14ncc6cc1Cl.c15cccs1.O=C2C4.C6(F)(F)F.N23.C35 |
45779 | O=C(NC1CCc2ccccc2C1=O)c1ccc(F)cc1 | [O][=C][Branch1][P][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCc2ccccc2C1=O.c15ccc(F)cc1.O=C35.N34 |
45780 | COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][C] | c16cc(S5(=O)=O)ccc14.N15CCOCC1.C36=O.CO3.O4C |
45782 | CS(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c16cn2cccnc2n1.c15ccc6cc1.CS4(=O)=O.N45 |
45783 | O=C(Nc1cccc2[nH]ncc12)c1ccc(F)cc1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cccc2[nH]ncc12.c15ccc(F)cc1.O=C35.N34 |
45784 | COc1ccccc1CN1CCc2c(C)nc3c(C#N)cnn3c21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Branch1][C][C][=N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=Ring1][N][Ring1][#C] | N15CCc2c(C)nc3c(C#N)cnn3c21.c14ccccc16.CO4.C56 |
45786 | O=c1c2sccc2ncn1OCc1ccc(Cl)cc1 | [O][=C][C][S][C][=C][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1c2sccc2ncn1O3.c14ccc(Cl)cc1.C34 |
45787 | O=C(Nc1nccs1)c1cccn(Cc2cccc(Cl)c2)c1=O | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c15cccn6c1=O.c17cccc(Cl)c1.c14nccs1.O=C35.N34.C67 |
45788 | O=C(Nc1cccnc1)c1cccn(Cc2cccc(Cl)c2)c1=O | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][=C][=O] | c15cccn6c1=O.c17cccc(Cl)c1.c14cccnc1.O=C35.N34.C67 |
45789 | COC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][#C][=O] | c14cccn5c1=O.c16c(F)cccc1Cl.C34=O.CO3.C56 |
45791 | Cc1nnsc1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][N][=N][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nnsc1S(=O)(=O)c1ccc(Cl)cc1 |
45792 | O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2ccccc2)c1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C] | c14ccc(F)cc1F.c15ccc(=O)n6c1.c17ccccc1.O=C35.N34.C67 |
45793 | Cc1nnsc1S(=O)(=O)c1cccc(C(F)(F)F)c1 | [C][C][N][=N][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Cc1nnsc1S(=O)(=O)c1cccc2c1.C2(F)(F)F |
45794 | CNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][S][=O] | c14cc(Cl)cn5c1=O.c16ccc(Cl)c(Cl)c1.C34=O.CN3.C56 |
45795 | CNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 | [C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][P] | c14cc(Cl)c(=O)n5c1.c16ccc(Cl)c(Cl)c1.C34=O.CN3.C56 |
45796 | Cc1nnsc1S(=O)(=O)c1cccc(Cl)c1 | [C][C][N][=N][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nnsc1S(=O)(=O)c1cccc(Cl)c1 |
45797 | Cc1nnsc1S(=O)(=O)Cc1ccccc1Cl | [C][C][N][=N][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1nnsc1S(=O)(=O)C2.c12ccccc1Cl |
45798 | Cc1nnsc1S(=O)(=O)Cc1ccccc1 | [C][C][N][=N][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnsc1S(=O)(=O)C2.c12ccccc1 |
45799 | Cc1nnsc1S(=O)(=O)Cc1ccc(Cl)cc1 | [C][C][N][=N][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nnsc1S(=O)(=O)C2.c12ccc(Cl)cc1 |
45800 | CNC(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 | [C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][P] | c14cc(Cl)c(=O)n5c1.c16c(Cl)cccc1Cl.C34=O.CN3.C56 |
45801 | COC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 | [C][O][C][=Branch1][C][=O][N][C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][S] | c15ccc(=O)n6c1.c17c(Cl)cccc1Cl.C34=O.CO3.N45.C67 |
45802 | Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 | [N][C][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][S] | Nc1ccc(=O)n3c1.c14ccc(Cl)c(Cl)c1.C34 |
45803 | O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)C1CC1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O][C][C][C][Ring1][Ring1] | c14cccn6c1=O.c17ccc(Cl)c(Cl)c1.O=C35.C15CC1.N34.C67 |
45804 | CC(=O)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O] | c14cccn5c1=O.c16ccc(Cl)c(Cl)c1.CC3=O.N34.C56 |
45805 | CC(C)C(=O)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O] | c14cccn5c1=O.c16ccc(Cl)c(Cl)c1.CC(C)C3=O.N34.C56 |
45806 | O=C(Nc1cc2c(oc1=O)CCCC2=O)c1cccc(Cl)c1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cc2c(oc1=O)CCCC2=O.c15cccc(Cl)c1.O=C35.N34 |
45807 | CC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1C | [C][C][=Branch1][C][=O][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=Ring1][P][C] | c15cc4c(=O)oc1C.c16cccc(Cl)c1.CC5=O.C36=O.N34 |
45808 | CC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C | [C][C][=Branch1][C][=O][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=Ring1][P][C] | c15cc4c(=O)oc1C.c16ccc(C)cc1.CC5=O.C36=O.N34 |
45809 | Cc1ccc(C(=O)Nc2cc3c(oc2=O)CCCC3=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Branch1] | c15cc2c(oc1=O)CCCC2=O.Cc1ccc6cc1.C46=O.N45 |
45810 | Cc1ccc(C(=O)Nc2cc3ccc(O)cc3oc2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][Branch1] | c15cc2ccc(O)cc2oc1=O.Cc1ccc6cc1.C46=O.N45 |
45811 | Clc1ccc(-c2csc(Cn3cncn3)n2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][=N][Ring1][O][C][=C][Ring1][P] | Clc1ccc6cc1.c16csc5n1.n14cncn1.C45 |
45813 | On1c(-c2cccc(C(F)(F)F)c2)nc2ncccc21 | [O][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | On1c4nc2ncccc21.c14cccc3c1.C3(F)(F)F |
45815 | COC(=O)C(C)c1ncc(C(F)(F)F)cc1Cl | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c13ncc4cc1Cl.C2(=O)C3C.C4(F)(F)F.CO2 |
45816 | CNC(=O)C(C)c1ncc(C(F)(F)F)cc1Cl | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c13ncc4cc1Cl.C2(=O)C3C.C4(F)(F)F.CN2 |
45817 | CC(C(=O)NC1CC1)c1ncc(C(F)(F)F)cc1Cl | [C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c14ncc5cc1Cl.CC4C2=O.C5(F)(F)F.C13CC1.N23 |
45818 | FC(F)(F)c1cnc(Cc2ccccn2)c(Cl)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=C] | c15cnc3c(Cl)c1.c14ccccn1.FC5(F)F.C34 |
45819 | Nc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1 | [N][C][=N][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=N][Ring1][P] | c14ncc3cc1Cl.Nc1ncc4cn1.C3(F)(F)F |
45820 | CSc1nnc(C(C)c2ncc(C(F)(F)F)cc2Cl)n1C | [C][S][C][=N][N][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][N][Ring2][Ring1][C][C] | c14ncc5cc1Cl.c16nnc3n1C.C5(F)(F)F.C34C.CS6 |
45821 | N#Cc1cnc(SCc2ccc(F)cc2)c(C#N)c1 | [N][#C][C][=C][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][P] | N#Cc1cnc5c(C#N)c1.c14ccc(F)cc1.S35.C34 |
45822 | O=S(=O)(CCCS(=O)(=O)c1ccccc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(CCCS(=O)(=O)c1ccccc1)c1ccccc1 |
45823 | O=c1c(-c2ccccc2)nc(-c2ccc(Cl)cc2)cn1O | [O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][N][Ring2][Ring1][Ring1][O] | O=c1c3nc4cn1O.c14ccc(Cl)cc1.c13ccccc1 |
45824 | O=c1c(-c2ccccc2)nc(-c2ccc(F)cc2)cn1O | [O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][Ring2][Ring1][Ring1][O] | O=c1c3nc4cn1O.c14ccc(F)cc1.c13ccccc1 |
45825 | CCOC(=O)CSc1ccc(C(=O)OC)cn1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=N][Ring1][#Branch2] | c17ccc6cn1.C2(=O)C5.C36=O.CC4.O24.S57.O3C |
45826 | COc1ccc(NC(=O)c2ccc(SC(C)C)nc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17ccc8nc1.C37=O.C5(C)C.CO4.N36.S58 |
45827 | COC(=O)c1nn(-c2cccc(Cl)c2)c(=O)cc1Cl | [C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Ring1][=C][Cl] | c14nn5c(=O)cc1Cl.c15cccc(Cl)c1.C34=O.CO3 |
45828 | O=C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c13ncc4cc1Cl.c12ccccn1.C4(F)(F)F.O=C23 |
45829 | O=C1c2cnn(-c3ccccc3)c2CC2c3ccccc3CCN12 | [O][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring2][Ring1][#Branch1][Ring1][#Branch2] | O=C1c2cnn4c2CC2c3ccccc3CCN12.c14ccccc1 |
45833 | Cn1c(C(N)=O)cnc1Sc1ncc(C(F)(F)F)cc1Cl | [C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][N][=C][Ring1][Branch2][S][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c15ncc3cc1Cl.Cn1c2cnc14.C3(F)(F)F.C2(N)=O.S45 |
45834 | N#Cc1cnn2c3c(cnc12)C(=O)N1CCc2ccccc2C1C3 | [N][#C][C][C][=N][N][C][=C][Branch1][Branch2][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][C] | N#Cc1cnn2c3c(cnc12)C(=O)N1CCc2ccccc2C1C3 |
45836 | COc1ccsc1C(=O)Nc1ccc(F)cc1F | [C][O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c13ccsc15.C25=O.CO3.N24 |
45837 | COc1ccsc1C(=O)Nc1ccc(F)c(F)c1 | [C][O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c13ccsc15.C25=O.CO3.N24 |
45838 | COc1ccsc1C(=O)Nc1ccccc1Br | [C][O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.c13ccsc15.C25=O.CO3.N24 |
45839 | CN(C)c1nc(N(C)C)n(-c2ccc(Cl)cc2)n1 | [C][N][Branch1][C][C][C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][#C] | c13nc4n5n1.c15ccc(Cl)cc1.CN3C.N4(C)C |
45840 | Cc1cccc(-n2nc(N(C)C)nc2N(C)C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][Branch2][N][Branch1][C][C][C][=C][Ring1][P][C] | Cc1cccc5c1C.n15nc3nc14.N3(C)C.N4(C)C |
45841 | C=CCn1cccc(C(=O)Nc2ccc(OC)cc2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][P][=O] | n17cccc6c1=O.c15ccc4cc1.C=CC7.C36=O.N35.O4C |
45842 | COC(=O)c1cccn(Cc2ccccc2Cl)c1=O | [C][O][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][=C][=O] | c14cccn5c1=O.c16ccccc1Cl.C34=O.CO3.C56 |
45843 | C=CCn1cccc(C(=O)Nc2ccc(OC)cc2OC)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][Ring1][=O] | n18cccc7c1=O.c16ccc4cc15.C=CC8.C37=O.N36.O4C.O5C |
45844 | C=CCn1cccc(C(=O)Nc2cc(OC)cc(OC)c2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=O] | n18cccc7c1=O.c16cc4cc5c1.C=CC8.C37=O.N36.O4C.O5C |
45846 | C=CCn1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1=O | [C][=C][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=O] | n18cccc7c1=O.c16ccc4c5c1.C=CC8.C37=O.N36.O4C.O5C |
45847 | N#Cc1cn(CCOC(=O)c2cccs2)c(=O)[nH]c1=O | [N][#C][C][=C][N][Branch1][#C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][Ring1][P][=O] | N#Cc1cn6c(=O)[nH]c1=O.c15cccs1.C6C4.C35=O.O34 |
45849 | CC(=O)c1ccc(NC(=O)CNC(=O)c2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc6cc1.c18ccccc1.C3(=O)C5.CC7=O.C48=O.N36.N45 |
45850 | O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1 | [O][=C][Branch2][Ring1][Branch2][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ncc2c(n1)-c1ccccc1CC2.c15ccccc1.O=C35.N34 |
45851 | CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C | [C][N][C][=Branch1][C][=O][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][C] | c14sc5nc1C.c15ccc(Cl)cc1.C34=O.CN3 |
45852 | NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][#C] | c15cccc4c1.c13csc5n1.C4(F)(F)F.NC3=O |
45853 | O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccncc2)n1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O] | c14ccc(Cl)cc1.c15csc6n1.c16ccncc1.O=C35.N34 |
45855 | Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)cc1F | [C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.Cc1nc6sc15.c16cccnc1.C35=O.N34 |
45857 | N#Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl | [N][#C][C][=C][C][=C][N][Ring1][Branch1][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c13ncc2cc1Cl.N#Cc1cccn13.C2(F)(F)F |
45858 | OCc1cccn1-c1ncc(C(F)(F)F)cc1Cl | [O][C][C][=C][C][=C][N][Ring1][Branch1][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c14ncc3cc1Cl.c12cccn14.C3(F)(F)F.OC2 |
45859 | CC(=O)C(C)Sc1ncc(C(F)(F)F)cc1Cl | [C][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c14ncc3cc1Cl.CC(=O)C2C.C3(F)(F)F.S24 |
45860 | CC(C)OC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14nnsc1S(=O)(=O)c1ccc(Cl)cc1.CC3C.C24=O.O23 |
45861 | Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]1 |
45862 | C#CCn1c(C)cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1=O | [C][#C][C][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O] | n13c(C)cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1=O.C#CC3 |
45863 | Cc1nc(C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1 | [C][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc5nn16.c16ccc(Cl)cc1.c14ccccc1.C35=O.N34 |
45864 | Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(Cl)cc1 | [C][C][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc5nn16.c14ccc(F)cc1.c16ccc(Cl)cc1.C35=O.N34 |
45866 | Cc1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5cc1.c16nc(C)n7n1.c17ccc(Cl)cc1.C46=O.N45 |
45867 | COc1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c15ccc6cc1.c17nc(C)n8n1.c18ccc(Cl)cc1.C47=O.CO5.N46 |
45869 | FC(F)(F)c1cnc(-c2cnc(-c3ccncc3)nc2)c(Cl)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1] | c14cnc5c(Cl)c1.c15cnc6nc1.c16ccncc1.FC4(F)F |
45870 | FC(F)(F)c1cnc(-c2cnc(-c3cccnc3)nc2)c(Cl)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1] | c14cnc5c(Cl)c1.c15cnc6nc1.c16cccnc1.FC4(F)F |
45871 | Cc1cc(C)c(S(=O)(=O)c2ccccc2F)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | Cc1cc(C)c(S(=O)(=O)c2ccccc2F)c(=O)[nH]1 |
45872 | Cc1cc(C)n(C)c(=O)c1S(=O)(=O)c1ccccc1 | [C][C][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(C)n(C)c(=O)c1S(=O)(=O)c1ccccc1 |
45873 | C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2OC)c1=O | [C][=C][Branch1][C][C][C][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][Ring1][=O] | n14c(C)cc(C)c(S(=O)(=O)c2ccccc23)c1=O.C=C(C)C4.O3C |
45874 | CCn1c(C)cc(C)c(S(=O)(=O)c2ccccc2Cl)c1=O | [C][C][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring2][Ring1][C][=O] | n13c(C)cc(C)c(S(=O)(=O)c2ccccc2Cl)c1=O.CC3 |
45876 | Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C(C)C)c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][O][=O] | Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n2c1=O.C2(C)C |
45877 | COC(=O)C(CC(=O)c1cccc(OC)c1)c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C2(=O)C5CC4=O.c14cccc3c1.c15ccc(F)cc1.CO2.O3C |
45878 | COc1ccc(Nc2ccc(S(C)(=O)=O)nn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=N][Ring1][#Branch2][C][=C][Ring1][P] | c14ccc(S(C)(=O)=O)nn1.c13ccc5cc1.CO3.N45 |
45879 | CS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=N][Ring1][P] | CS(=O)(=O)c1ccc3nn1.c14cccc5c1.C5(F)(F)F.N34 |
45880 | CS(=O)(=O)c1ccc(Nc2ccc(F)cc2)nn1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][=C] | CS(=O)(=O)c1ccc3nn1.c14ccc(F)cc1.N34 |
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