ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
37578 | COc1ccc(OC)c(NC(=O)NCc2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c15ccc6c8c1.c19ccc(F)cc1.C34=O.CO5.O6C.N38.N47.C79 |
37579 | COc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c14cccc7c1.n17nnnc18.c16ccccc1.C5C3=O.CO4.S58.N36 |
37580 | Cc1cccc(C)c1NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][Ring1][=N] | n15cnc2c(=O)n(C)c(=O)n(C)c21.Cc1cccc(C)c14.C3(=O)C5.N34 |
37581 | CN(c1ccccc1C(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O | [C][N][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(F)c(F)c1.c14ccccc16.S3(C)(=O)=O.CN34.C26=O.N25 |
37584 | COc1ccc(C)cc1NC(=O)NCc1ccccc1F | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccc(C)cc16.c17ccccc1F.C23=O.CO4.N26.N35.C57 |
37588 | CN(c1ccccc1C(=O)N1CCc2ccccc2C1)S(C)(=O)=O | [C][N][Branch2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | N13CCc2ccccc2C1.c15ccccc16.S4(C)(=O)=O.CN45.C36=O |
37589 | Cc1cccc(NC(=O)C2CC(=O)OC23CCCC3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | C16CC(=O)OC12CCCC2.Cc1cccc5c1.C46=O.N45 |
37591 | Cn1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)n1 | [C][N][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][P] | c16ccc(F)c(Cl)c1.Cn1ccc5n1.C34=O.N35.N46 |
37592 | O=C(Nc1ccccc1C(F)(F)F)Nn1cnnc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][N][C][=N][N][=C][Ring1][Branch1] | O=C2Nn1cnnc1.c13ccccc14.C4(F)(F)F.N23 |
37593 | Cc1nnc(SCC(=O)Nc2ccc(C#N)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][S][Ring2][Ring1][C] | c15ccc(C#N)cc1.Cc1nnc6s1.C4C3=O.S46.N35 |
37594 | CCOc1ccccc1NC(=O)NCc1cccs1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | c15ccccc17.c18cccs1.C23=O.CC4.O45.N27.N36.C68 |
37595 | COc1ccc(NC(=O)Nc2cccnc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c15ccc7c6c1.c18cccnc1.C34=O.CO5.N37.N48.O6C |
37596 | COc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc8cc16.N14CCN7CC1.S7(C)(=O)=O.C34=O.CO5.N38.O6C |
37597 | Cc1ccc2cccc(OC(=O)N3CCCC3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=C][=N][Ring2][Ring1][C] | Cc1ccc2cccc6c2n1.N15CCCC1.C45=O.O46 |
37598 | CC(=O)c1ccc(NC(=O)Nc2ncccc2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P] | c17ccc6cc1.c15ncccc1C.CC7=O.C34=O.N36.N45 |
37599 | CCS(=O)(=O)n1nc(-c2ccccc2)nc1NCc1ccco1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1] | CCS(=O)(=O)n1nc6nc14.c16ccccc1.c15ccco1.N34.C35 |
37600 | CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc2c(c1)OCO2.c16ccc8cc1.CC(C)C4=O.C58=O.N46.N57 |
37601 | CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][Ring2][Ring1][C] | S5(=O)(=O)c1ccc(C)c(C)c1C.C16CCN5CC1.C36=O.CC4.O34 |
37603 | COc1ccc(NC(=O)N2CCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][O][C] | c15ccc7cc16.N14CCCC1.C34=O.CO5.N37.O6C |
37604 | CC(NC(=O)Nc1ccc2c(c1)OCO2)C1CCCO1 | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][O][Ring1][Branch1] | c16ccc2c(c1)OCO2.C17CCCO1.CC57.C34=O.N35.N46 |
37605 | C=CCN(CC=C)C(=O)Nc1ccc(OC)cc1OC | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c18ccc4cc15.C=CC6.N267.C7C=C.C23=O.N38.O4C.O5C |
37606 | Cc1cccnc1NC(=O)Nc1ccc2c(c1)OCO2 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.Cc1cccnc15.C34=O.N35.N46 |
37609 | COc1ccc(NC(=O)NCc2ccncc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c15ccc8c6c1.c19ccncc1.C34=O.CO5.N38.N47.C79.O6C |
37611 | COc1ccc(NC(=O)C2CC(=O)OC23CCCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | C17CC(=O)OC12CCCC2.c15ccc6cc1.C47=O.CO5.N46 |
37612 | COC(=O)c1ccccc1NC(=O)n1cc(C)cn1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1] | C3(=O)n1cc(C)cn1.c15ccccc14.C25=O.CO2.N34 |
37613 | COCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16ccccc18.c17ccc5cc1.C4C2=O.C38=O.CO4.N26.N37.O5C |
37614 | CCOC(=O)c1c(N)nn(C(=O)C(C)(C)C)c1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][N][=N][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c(N)nn(C(=O)C(C)(C)C)c15.c15ccccc1.C24=O.CC3.O23 |
37615 | O=C(NCCn1cc(Cl)cn1)Nc1cccc(Cl)c1Cl | [O][=C][Branch1][=C][N][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c15cccc(Cl)c1Cl.n16cc(Cl)cn1.O=C23.C4C6.N24.N35 |
37616 | Cn1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O | [C][N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | Cn1nc5c2ccccc2c1=O.C14CCCCC1.C35=O.N34 |
37617 | Cc1ccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c(O)c1 | [C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][Ring1][=N][C][Branch1][C][O][=C][Ring2][Ring1][Branch2] | n16cnc2c(=O)n(C)c(=O)n(C)c21.Cc1ccc5c(O)c1.C4(=O)C6.N45 |
37618 | CC1CN(C(=O)Nc2ccc(F)cc2F)CC(C)O1 | [C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Branch1][C][C][O][Ring2][Ring1][C] | CC1CN3CC(C)O1.c15ccc(F)cc1F.C34=O.N45 |
37623 | O=C(Nc1cccnc1)Nc1ccc(Br)cc1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl] | c15ccc(Br)cc1Cl.c14cccnc1.O=C23.N24.N35 |
37625 | CCSc1ccccc1C(=O)NCC1CCCO1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c17ccccc15.C16CCCO1.C25=O.CC4.S47.N23.C36 |
37626 | COc1cc(NC(=O)Nc2ccc(F)cc2F)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15cc6cc7c1.c18ccc(F)cc1F.C34=O.CO5.N37.N48.O6C |
37627 | CC(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][S][Ring2][Ring1][C] | c16nc2ccc(S5(=O)=O)cc2s1.N15CCOCC1.CC4=O.N46 |
37628 | COC(=O)c1ccccc1NC(=O)NC1CCCc2ccccc21 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N5C1CCCc2ccccc21.c17ccccc16.C37=O.C45=O.CO3.N46 |
37629 | CCOc1ccc(NC(=O)Nc2ccc(C)cn2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc8cc1.c17ccc(C)cn1.C34=O.CC5.O56.N38.N47 |
37630 | Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 |
37631 | CC(=O)c1ccc(NC(=O)NCc2ccncc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c17ccc6cc1.c18ccncc1.CC7=O.C34=O.N36.N45.C58 |
37632 | COC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][N] | c15ccc(Cl)c4c1.S3(C)(=O)=O.C25=O.CO2.N34 |
37634 | Cc1cnc(NC(=O)CSc2nnc(C)s2)s1 | [C][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][S][Ring1][S] | Cc1cnc5s1.c16nnc(C)s1.C3(=O)C4.N35.S46 |
37638 | COCC(=O)n1nc(-c2ccccc2)nc1NCc1ccco1 | [C][O][C][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1] | C3C(=O)n1nc7nc15.c17ccccc1.c16ccco1.CO3.N45.C46 |
37639 | COc1ccc(NC(=O)NCc2cccs2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S][O][C] | c15ccc8cc16.c19cccs1.C34=O.CO5.N38.N47.C79.O6C |
37641 | COc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc7cc15.C7(=O)CCC3=O.c16cccnc1.CO4.N36.O5C |
37642 | CSc1cccc(NC(=O)CSc2nnc(C)s2)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][P] | c17cccc5c1.c16nnc(C)s1.C3(=O)C4.CS7.N35.S46 |
37643 | O=C(Nc1ccc(C(F)(F)F)cc1)C1COc2ccccc2O1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccc6cc1.C6(F)(F)F.O=C35.N34 |
37644 | COc1ccc(NC(=O)Nc2ccc(C)c(F)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c15ccc7cc16.c18ccc(C)c(F)c1.C34=O.CO5.N37.N48.O6C |
37645 | CCOC(=O)c1ccc(NC(=O)NCc2ccn(CC)n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][Ring1][C][C][N][=Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c19ccc8cc1.c1%11ccn%10n1.C39=O.C45=O.CC6.O36.N48.N57.C7%11.C%10C |
37646 | C#CC(CC)(CC)NC(=O)Nc1ccc(OC)cc1 | [C][#C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C#CC5(CC)CC.c16ccc4cc1.C23=O.N25.N36.O4C |
37647 | COCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c16ccccc18.C5C3=O.C48=O.CO5.N36.N47 |
37649 | O=C1c2ccccc2S(=O)(=O)N1c1ccccc1Br | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | O=C1c2ccccc2S(=O)(=O)N13.c13ccccc1Br |
37650 | CC(C)CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N] | c16ccc5cc1.CC(C)CC3.S4(C)(=O)=O.C26=O.N45C.N23 |
37651 | COc1ccc(Cl)cc1NC(=O)NC(C)c1ccncc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(Cl)cc16.c17ccncc1.C23=O.C57C.CO4.N26.N35 |
37653 | COc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15ccc7c6c1.c18ccc9cc1.C34=O.C9(C)=O.CO5.N37.N48.O6C |
37654 | Cc1nnc(SCC(=O)NC(C)c2ccccc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C] | Cc1nnc7s1.c16ccccc1.C5C3=O.C46C.S57.N34 |
37655 | COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1O | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c12cc(C)c(C)cc1S3(=O)=O.c14ccccc1O.CO2.N34 |
37656 | O=C(CSc1nnnn1-c1ccccc1F)NCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1F.c17nnnn16.c15ccccc1.O=C2C4.S47.N23.C35 |
37658 | O=C(c1ccco1)N1CCN(C(=O)N2CCCC2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.c16ccco1.N15CCCC1.O=C36.C45=O |
37659 | O=S(=O)(NCc1ccccc1Cl)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][S][Ring1][Branch1] | O=S3(=O)c1cccs1.c14ccccc1Cl.N23.C24 |
37660 | COc1ccc(NC(=O)NCc2ccccn2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c15ccc8cc16.c19ccccn1.C34=O.CO5.N38.N47.C79.O6C |
37661 | CCSc1ccccc1C(=O)NCc1ccco1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc15.c16ccco1.C25=O.CC4.S47.N23.C36 |
37662 | CN(c1ccc(C(=O)Nc2c(F)cccc2F)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P][S][Branch1][C][C][=Branch1][C][=O][=O] | c16c(F)cccc1F.c15ccc7cc1.S4(C)(=O)=O.CN45.C37=O.N36 |
37663 | CC(Sc1nc(N)cc(N)n1)C(=O)Nc1cccc(Cl)c1 | [C][C][Branch1][S][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15nc(N)cc(N)n1.c14cccc(Cl)c1.CC3C2=O.S35.N24 |
37664 | O=S(=O)(Nc1c(F)cccc1F)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S2(=O)c1ccccc1.c13c(F)cccc1F.N23 |
37665 | CC1CC(C)CN(S(=O)(=O)c2ccc(N)cc2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring1][P] | S3(=O)(=O)c1ccc(N)cc1.CC1CC(C)CN3C1 |
37666 | C=CCN(CC=C)C(=O)c1ccccc1SCC | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C] | c16ccccc17.C=CC3.N234.C4C=C.C26=O.S57.C5C |
37667 | Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(N)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C] | Cc1ccc(S(=O)(=O)N2C(=O)CCC23)cc1.C3(N)=O |
37668 | CCOC(=O)c1cccc(N2C(=O)c3ccccc3S2(=O)=O)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=C][Ring2][Ring1][C] | N17C(=O)c2ccccc2S1(=O)=O.c16cccc7c1.C46=O.CC5.O45 |
37669 | COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c1%10ccc5c6c1.c19ccccc18.C29=O.C34=O.CO2.N38.N47.C7%10.O5C.O6C |
37670 | COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring2][Ring1][Ring2] | c13ccc4c(S5(=O)=O)c1.c16ccccc17.CO3.O4C.N56.S7C |
37672 | CCSc1ccccc1C(=O)Nc1cccnc1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccccc15.c14cccnc1.C25=O.CC3.S36.N24 |
37673 | O=C(Nc1ccon1)Nc1ccccc1C(F)(F)F | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccccc16.c14ccon1.C6(F)(F)F.O=C23.N24.N35 |
37675 | Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c(S5(=O)=O)c(C)c1.N15CCN3CC1.C34=O.N4(C)C |
37676 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | N15CCC2(CC1)OCCO2.c17ccc6cc1.CC7=O.C45=O.N46 |
37677 | COc1ccc(CNc2nc(-c3ccccc3)nn2C(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][=Branch1] | c16nc8nn1C(C)=O.c14ccc7cc1.c18ccccc1.CO4.C57.N56 |
37678 | CC(C)C(NC(=O)c1ccccc1)C(=O)NCc1cccnc1 | [C][C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | CC(C)C4C3=O.c16ccccc1.c17cccnc1.C26=O.N24.N35.C57 |
37679 | CCc1ccccc1N1C(=O)c2ccccc2S1(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N14C(=O)c2ccccc2S1(=O)=O.c13ccccc14.CC3 |
37680 | COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)ccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][Cl] | C17COc2ccccc2O1.c18cc6ccc1Cl.C48=O.C57=O.CO4.N56 |
37681 | CC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)OCO3)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c19ccc2c(c1)OCO2.c18cccc7c1.CC8=O.C45=O.N47.N56.C69 |
37682 | CCn1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)n1 | [C][C][N][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][C] | c16ccc(Cl)cc1Cl.n17ccc8n1.C34=O.CC7.C58.N35.N46 |
37683 | O=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Br)cn1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c16ccc2c(c1)OCO2.c15ccc(Br)cn1.O=C34.N36.N45 |
37684 | Cc1nnc(SCC(=O)N2CCCCC2)s1 | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Ring1][#C] | Cc1nnc5s1.N13CCCCC1.C4C3=O.S45 |
37687 | Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][S][Ring2][Ring1][Ring1] | c15ccc(F)c(F)c1F.Cc1nnc6s1.C4C3=O.S46.N35 |
37688 | Cn1c(=O)n(CC(=O)Nc2cccnc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | Cn1c(=O)n5c2ccccc21.c14cccnc1.C5C3=O.N34 |
37689 | CCOC(=O)c1ccc(NC(=O)N2CC(C)OC(C)C2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P] | N15CC(C)OC(C)C1.c18ccc7cc1.C38=O.C45=O.CC6.O36.N47 |
37690 | CC(NS(=O)(=O)c1ccc(Br)cc1)C(N)=O | [C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O] | S3(=O)(=O)c1ccc(Br)cc1.CC2C(N)=O.N23 |
37691 | CC1CN(C(=O)Nc2ccccc2C(F)(F)F)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2] | CC1CN3CC(C)O1.c15ccccc16.C6(F)(F)F.C34=O.N45 |
37692 | CC(=O)c1cccc(NC(=O)N2CCc3ccccc3C2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | N15CCc2ccccc2C1.c17cccc6c1.CC7=O.C45=O.N46 |
37694 | O=C(Oc1ccc(Cl)c2cccnc12)N1CCCC1 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15ccc(Cl)c2cccnc12.N14CCCC1.O=C34.O35 |
37695 | CCSc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c18ccccc17.c15cccc6c1.C27=O.C3(C)=O.CC4.S48.N25.N36 |
37696 | CC(C)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc14.c16ccccc15.S3(C)(=O)=O.CC7C.C26=O.N35C.N24 |
37697 | CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccncc1 | [C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc(Cl)c(Cl)c1.c16ccncc1.CC46.C23=O.N24.N35 |
37699 | CNc1nc(SCC(N)=O)nc(N2CCOCC2)n1 | [C][N][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][P] | c14nc5nc6n1.N15CCOCC1.C3C(N)=O.CN4.S36 |
37700 | O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.c14ccc(F)c(F)c1.N34 |
37701 | Cc1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][N] | Cc1ccccc14.c16ccccc1C.n15nnc6n1.C3(=O)C5.N34 |
37702 | CCCC(C)NS(=O)(=O)c1ccc(OCC)cc1 | [C][C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2] | S5(=O)(=O)c1ccc3cc1.CCCC4C.N45.O23.C2C |
37703 | CCOc1ccc(NC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c18ccc9cc1.C34=O.C9(N)=O.CC5.O56.N37.N48 |
37707 | COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccc17.CO3.N56.S7C.O4C |
37709 | Cn1cc(CNC(=O)Nc2cccc(Cl)c2Cl)cn1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=N][Ring2][Ring1][C] | c16cccc(Cl)c1Cl.Cn1cc7cn1.C34=O.C57.N35.N46 |
37710 | Cc1cc(C)nc(NC(=O)Nc2ccc(F)cc2F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc5n1.c16ccc(F)cc1F.C34=O.N35.N46 |
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