ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
4610 | Cc1nc(-c2ccc(Cl)cc2)sc1C(C)O | [C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][N][C][Branch1][C][C][O] | Cc1nc4sc13.c14ccc(Cl)cc1.C3(C)O |
4614 | Cc1ccc2cc(NC(=O)c3ccccc3)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | Cc1ccc2cc5ccc2n1.c16ccccc1.C46=O.N45 |
4615 | Cc1ccc2cc(NC(=O)c3ccccc3C)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2cc5ccc2n1.c16ccccc1C.C46=O.N45 |
4616 | N#Cc1c(C(F)(F)F)cc(-c2cccs2)n(N)c1=O | [N][#C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][C][N][C][Ring1][S][=O] | N#Cc1c3cc4n(N)c1=O.c14cccs1.C3(F)(F)F |
4617 | Cc1ccc2cc(NC(=O)c3ccco3)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Ring1][=C][=N][Ring2][Ring1][C] | Cc1ccc2cc5ccc2n1.c16ccco1.C46=O.N45 |
4618 | Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3)sc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c2c(N)c6sc2n1.c15ccccc1.C46=O.N45 |
4619 | Cc1ccc2cc(NC(=O)c3cccs3)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][Ring1][=C][=N][Ring2][Ring1][C] | Cc1ccc2cc5ccc2n1.c16cccs1.C46=O.N45 |
4620 | Cc1ccc2cc(NC(=O)Cc3ccccc3)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2cc5ccc2n1.c16ccccc1.C4(=O)C6.N45 |
4622 | COc1ccc(CC2C(=O)OC(C)(C)OC2=O)c(Cl)c1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2][=O][C][Branch1][C][Cl][=C][Ring2][Ring1][C][O][C] | C15C(=O)OC(C)(C)OC1=O.c13ccc6c(Cl)c14.CO3.C56.O4C |
4623 | COc1ccccc1CNc1ccc2c(c1)nc(C)n2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C] | c15ccc2c(c1)nc(C)n2C.c13ccccc16.CO3.C46.N45 |
4624 | COc1ccc(OC)c(C(O)c2nc3ccccc3n2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c16nc2ccccc2n1C.c14ccc5c7c1.C67O.CO4.O5C |
4625 | COc1cccc(C(O)c2nc3ccccc3n2C(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] | c16nc2ccccc2n15.c14cccc7c1.C67O.C5(C)C.CO4 |
4626 | CC(=O)N(C)c1ccc(NC(=O)CCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][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] | c15ccc6cc1.c17ccccc1.C4(=O)CC7.CC3=O.N35C.N46 |
4627 | COc1ccc(OC)c(C(O)c2nc3ccccc3n2C(C)C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1] | c17nc2ccccc2n16.c14ccc5c8c1.C78O.C6(C)C.CO4.O5C |
4628 | CCOC(=O)COc1ccc(Cl)cc1C(=O)OC | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C] | c16ccc(Cl)cc17.C2(=O)C5.C37=O.CC4.O24.O56.O3C |
4629 | CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | n16c7nnc18.c15ccc(C)cc1.C4C3=O.C18CC1.CC6.S47.N35 |
4630 | C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CC1 | [C][=C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | n16c7nnc18.c15ccc(C)cc1.C4C3=O.C=CC6.C18CC1.S47.N35 |
4632 | COc1cccc(OCC(=O)Nc2cc(C)on2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][Ring1][P] | c15cccc6c1.c17cc(C)on1.C4C3=O.CO5.O46.N37 |
4633 | COc1cc2nc(-c3ccccc3F)oc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=Branch1][C][=O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][O][C] | c14cc2nc6oc(=O)c2cc15.c16ccccc1F.CO4.O5C |
4635 | Cc1nnc(SCC(=O)Nc2ccc(O)cc2)c2ccccc12 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nnc6c2ccccc12.c15ccc(O)cc1.C4C3=O.S46.N35 |
4636 | Cc1nn(CO)c(C)c1Sc1ccc(Cl)cc1 | [C][C][=N][N][Branch1][Ring1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nn2c(C)c13.c14ccc(Cl)cc1.C2O.S34 |
4638 | CCOC(=O)COc1ccc2c(c1)OC(C)(C)CC2=O | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O] | c16ccc2c(c1)OC(C)(C)CC2=O.C3(=O)C5.CC4.O34.O56 |
4639 | CC1CCc2c(sc3ncnc(SCC(N)=O)c23)C1 | [C][C][C][C][C][=C][Branch2][Ring1][Branch1][S][C][=N][C][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][Ring1][=C][Ring1][O][C][Ring2][Ring1][C] | CC1CCc2c(sc3ncnc5c23)C1.C4C(N)=O.S45 |
4640 | Cc1sc2ncnc(SCC(=O)OC(C)C)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Ring1][=C][C][=Ring1][P][C] | Cc1sc2ncnc6c2c1C.C5C3=O.C4(C)C.S56.O34 |
4641 | CCOC(=O)CSc1ncnc2sc(C)c(C)c12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1] | c16ncnc2sc(C)c(C)c12.C3(=O)C5.CC4.O34.S56 |
4642 | COC(=O)C(C)Sc1ncnc2sc(C)c(C)c12 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1] | c15ncnc2sc(C)c(C)c12.C3(=O)C4C.CO3.S45 |
4643 | CCOC(=O)C(C)Sc1ncnc2sc(C)c(C)c12 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1] | c16ncnc2sc(C)c(C)c12.C3(=O)C5C.CC4.O34.S56 |
4644 | CCC(Sc1ncnc2sc(C)c(C)c12)C(=O)OC | [C][C][C][Branch2][Ring1][Branch1][S][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][C][=Branch1][C][=O][O][C] | c15ncnc2sc(C)c(C)c12.CCC4C3=O.S45.O3C |
4645 | O=C1CC(c2coc3ccccc3c2=O)Sc2ccccc2N1 | [O][=C][C][C][Branch1][S][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1] | O=C1CC4Sc2ccccc2N1.c14coc2ccccc2c1=O |
4646 | CCC(=O)c1ccc(N2CCN(C(=O)CC)CC2)c(F)c1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch2][C][Branch1][C][F][=C][Ring1][P] | c15ccc4c(F)c1.N14CCN3CC1.CCC5=O.C3(=O)CC |
4647 | O=C1CC(c2ccccc2)S(=O)(=O)c2ccccc2N1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1] | O=C1CC3S(=O)(=O)c2ccccc2N1.c13ccccc1 |
4648 | Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O | [C][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | Cn1c5nc2ccccc2c1=O.c14ccc(Cl)cc1.C35.O34 |
4649 | COc1ccc(C)cc1NC(=O)c1ccc(-n2cnnn2)cc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c14ccc(C)cc15.c16ccc7cc1.n17cnnn1.C36=O.CO4.N35 |
4650 | COc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] | n17nc(C)c2ccccc2c1=O.c15ccc6cc1.C4(=O)C7.CO5.N46 |
4651 | Cc1nn(CC(=O)Nc2ccccn2)c(=O)c2ccccc12 | [C][C][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c14ccccn1.C5C3=O.N34 |
4652 | CCOC(=O)c1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][Branch1][C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][C] | n17nc(C)c2c(C)cc(=O)oc21.c16ccc7cc1.C46=O.CC5.O45 |
4653 | Cc1ccc(C2CC(c3ccccc3)Nc3nnnn32)cc1 | [C][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] | Cc1ccc(C2CC4Nc3nnnn32)cc1.c14ccccc1 |
4654 | CSc1ccc(C2CC(c3ccccc3)Nc3nnnn32)cc1 | [C][S][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] | c14ccc(C2CC5Nc3nnnn32)cc1.c15ccccc1.CS4 |
4655 | Cc1nn(CC(=O)Nc2cccc(O)c2)c(=O)c2ccccc12 | [C][C][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c14cccc(O)c1.C5C3=O.N34 |
4656 | COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | C2(=O)C1=C(C)N(C)C(C)=C(C3=O)C14.c14cccnc1.CO2.O3C |
4657 | Cc1ccnc(NS(=O)(=O)c2ccc(-n3cccc3)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc6cc1.Cc1ccnc5n1.n16cccc1.N45 |
4658 | COc1ccc(C(=O)Cn2c3ccccc3n3nc(C)nc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][N][=C][Ring1][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | n16c2ccccc2n2nc(C)nc12.c14ccc5cc1.C5(=O)C6.CO4 |
4659 | CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(Cl)cc1.N14CCN5CC1.CN3C.C34=O |
4660 | O=C(CNC(=O)c1ccccc1F)NCc1ccco1 | [O][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc1F.c17ccco1.O=C2C4.C36=O.N34.N25.C57 |
4661 | O=C1CC(c2ccccc2)S(=O)(=O)c2ccccc21 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=C1CC3S(=O)(=O)c2ccccc21.c13ccccc1 |
4662 | CCOC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][S] | c18ccc6cc1.c19csc7n1.C3(=O)C9.C48=O.CC5.O35.N47.O6C |
4663 | CCOC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c19cc7cc8c1.N14CCN5CC1.C34=O.C59=O.CC6.O36.O7C.O8C |
4664 | COC(=O)c1cn(C(=O)c2cc(OC)cc(OC)c2)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c16cn(C7=O)c2ccccc12.c17cc4cc5c1.C36=O.CO3.O4C.O5C |
4665 | COC(=O)c1cn(C(=O)c2cccs2)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | c15cn(C4=O)c2ccccc12.c14cccs1.C35=O.CO3 |
4666 | CCOC(=O)Cc1csc(NC(=O)c2cccs2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][=N] | c18csc6n1.c17cccs1.C3(=O)C8.C47=O.CC5.O35.N46 |
4668 | Cc1ccc(NC(=O)CSc2nnc3n(N)cnn23)nc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Branch1][C][N][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2] | c17nnc2n(N)cnn12.Cc1ccc6nc1.C4(=O)C5.N46.S57 |
4669 | CC=CC1OC(=O)C2(CCCCC2)C(=O)C1(C)C | [C][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][Branch1][C][C][C] | C=3C1OC(=O)C2(CCCCC2)C(=O)C1(C)C.CC=3 |
4670 | COc1ccc(Cc2nc(-c3cccnc3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c15nc7no1.c17cccnc1.CO4.C56 |
4671 | CCc1cccc(C)c1NC(=O)Cc1nn(C)c(=O)c2ccccc12 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c15nn(C)c(=O)c2ccccc12.c16cccc(C)c14.C3(=O)C5.CC6.N34 |
4672 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC15.c15ccc(O)c4c1.CC3.O23.O4C |
4673 | CC1(C)Cc2nc3sc4c(=O)[nH]cnc4c3cc2CO1 | [C][C][Branch1][C][C][C][C][=N][C][S][C][C][=Branch1][C][=O][NH1][C][=N][C][=Ring1][#Branch1][C][=Ring1][#Branch2][C][=C][Ring1][=C][C][O][Ring2][Ring1][Ring1] | CC1(C)Cc2nc3sc4c(=O)[nH]cnc4c3cc2CO1 |
4674 | O=C1CCNc2c(Br)cc(Br)cc21 | [O][=C][C][C][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Ring1][N] | O=C1CCNc2c(Br)cc(Br)cc21 |
4676 | COC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][S][C][Branch1][C][C][=C][Ring1][#C][C] | c17c5sc(C)c1C.c16ccnn1C.C37=O.C46=O.CO3.N45 |
4677 | CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(C)=CC=CN12 | [C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][Branch1][C][C][=C][C][=C][N][Ring2][Ring1][Ring1][Ring1][#Branch1] | O3C1=NC45N=C2C(C)=CC=CN12.C4(F)(F)F.C5(F)(F)F.CC3 |
4678 | Nc1nc(NC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1 | [N][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc4nn16.c15ccc(Cl)cc1.c16ccccc1.C35=O.N34 |
4679 | Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][P] | c14ccc(Cl)cc1.Cc1ccc5o1.C5CC3=O.N34 |
4680 | Nc1nc(NC(=O)c2ccco2)nn1-c1ccccc1 | [N][C][=N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc4nn16.c16ccccc1.c15ccco1.C35=O.N34 |
4681 | NC(=O)CC12CC3CC(C1)CC(CC(N)=O)(C3)C2 | [N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][Branch1][Ring2][C][Ring1][O][C][Ring1][=C] | C124CC3CC(C1)CC5(C3)C2.NC(=O)C4.C5C(N)=O |
4682 | CC(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 | [C][C][=Branch1][C][=O][N][C][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1] | c15nc2nc6cc7n2n1.c16ccccc1.c17ccccc1.CC4=O.N45 |
4683 | CC(=O)c1cc2c(=O)c3ccccc3oc2nc1C | [C][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][N][=C][Ring1][#C][C] | c14cc2c(=O)c3ccccc3oc2nc1C.CC4=O |
4684 | CC(=O)NCC1=C(NC(C)=O)C2CC1C(C)(C)C2C | [C][C][=Branch1][C][=O][N][C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][C][C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C] | C5C1=C(N4)C2CC1C(C)(C)C2C.CC3=O.C4(C)=O.N35 |
4685 | COCc1cc(C)nc2sc3c(=O)[nH]nnc3c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][C][=Branch1][C][=O][NH1][N][=N][C][=Ring1][#Branch1][C][Ring1][#C][=Ring1][#Branch2] | c15cc(C)nc2sc3c(=O)[nH]nnc3c12.CO4.C45 |
4686 | Cc1cc(C)c(C#N)c(SCC(=O)N2CCOCC2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)c(C#N)c5n1.N13CCOCC1.C4C3=O.S45 |
4687 | OC(Cn1cncn1)c1ccc(Cl)cc1Cl | [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c13ccc(Cl)cc1Cl.n12cncn1.OC3C2 |
4688 | Cc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3Cl)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2nc(S4(=O)=O)nc2n1.c15ccccc1Cl.N45 |
4689 | O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | c14ccc6cc1.c17ccncc1.c15ccco1.O=C35.N34.C67 |
4690 | COc1nc(N2CCOCC2)nc(N2CCOCC2)n1 | [C][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c13nc4nc5n1.N14CCOCC1.N15CCOCC1.CO3 |
4691 | CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C] | C16NC(=O)NC(C)=C1C3=O.c15ccc6cc1.CC4.O45.O3C |
4693 | COc1cc(C(O)c2nccn2C)ccc1OCc1ccccc1 | [C][O][C][=C][C][Branch1][=N][C][Branch1][C][O][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Ring1][=C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc7ccc15.c16nccn1C.c18ccccc1.C67O.CO4.O35.C38 |
4695 | C=CCN1C(=O)C(O)(CC(=O)c2ccc(N)cc2)c2ccccc21 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | C=CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(N)cc1 |
4696 | COc1ccccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O] | S3(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O.c12ccccc14.CO2.N34 |
4699 | N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccccc2O)[nH]c1=O | [N][#C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][NH1][C][Ring2][Ring1][=Branch1][=O] | N#Cc1c5cc4[nH]c1=O.c15ccc2c(c1)OCO2.c14ccccc1O |
4701 | CSc1nnc2c(n1)OC(c1ccc(O)cc1)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | c13nnc2c(n1)OC4Nc1ccccc1-2.c14ccc(O)cc1.CS3 |
4702 | CSc1nnc2c(n1)OC(C)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | c13nnc2c(n1)OC(C)Nc1ccccc1-2.CS3 |
4703 | CSc1nnc2c(n1)OC(c1cccc(O)c1)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | c13nnc2c(n1)OC4Nc1ccccc1-2.c14cccc(O)c1.CS3 |
4704 | N#CC1(CN2C(=O)C3(OCCO3)c3ccccc32)CC=CCC1 | [N][#C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][=C][C][C][Ring2][Ring1][Branch1] | C4N1C(=O)C2(OCCO2)c2ccccc21.N#CC14CC=CCC1 |
4705 | COc1ccc(CC2(O)CCC3(CC2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][Branch1][C][O][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | C15(O)CCC2(CC1)OCCO2.c14ccc6cc1.CO4.C56 |
4706 | COc1ccc(-c2ncc3ccccn23)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c16ncc2ccccn12.c14ccc6cc15.CO4.O5C |
4707 | CSc1nnc2c(n1)OC(c1cccc(C)n1)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | c13nnc2c(n1)OC4Nc1ccccc1-2.c14cccc(C)n1.CS3 |
4708 | Cn1c(=O)c2cc3cc(F)ccc3nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c(=O)c2cc3cc(F)ccc3nc2n(C)c1=O |
4709 | Cn1c(=O)c2c3nonc3c(=O)n(C)c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c(=O)c2c3nonc3c(=O)n(C)c2n(C)c1=O |
4710 | Cc1cc(Br)cc2c1NC(=O)C2(O)N1CCOCC1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1cc(Br)cc2c1NC(=O)C2(O)N1CCOCC1 |
4711 | CSc1nnc2c(n1)OC(c1ccco1)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | c13nnc2c(n1)OC4Nc1ccccc1-2.c14ccco1.CS3 |
4712 | CCSc1nnc2c(n1)OC(C)Nc1ccccc1-2 | [C][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | c14nnc2c(n1)OC(C)Nc1ccccc1-2.CC3.S34 |
4713 | CCSc1nnc2c(n1)OC(c1ccncc1)Nc1ccccc1-2 | [C][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | c14nnc2c(n1)OC5Nc1ccccc1-2.c15ccncc1.CC3.S34 |
4714 | CSc1nnc2c(n1)OC(c1cccnc1)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | c13nnc2c(n1)OC4Nc1ccccc1-2.c14cccnc1.CS3 |
4715 | CNC(=O)c1ccccc1Sc1ccc(OC)cc1C(=O)NC | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C] | c18ccc4cc16.c15ccccc17.C25=O.C36=O.CN2.S78.O4C.N3C |
4716 | CSc1nnc2c(n1)OC(c1ccsc1)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | c13nnc2c(n1)OC4Nc1ccccc1-2.c14ccsc1.CS3 |
4717 | CNC(=O)c1cc(C)ccc1Sc1ccccc1COC(C)=O | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][C][=O] | c15cc(C)ccc17.c18ccccc16.C35=O.C2(C)=O.CN3.S78.C46.O24 |
4718 | Cc1oc2cc(Br)c(O)cc2c1C(=O)OC(C)C | [C][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=Ring1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | Cc1oc2cc(Br)c(O)cc2c15.C35=O.C4(C)C.O34 |
4719 | COC(=O)c1c(C)oc2cc(Br)c(OC(C)=O)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#C][Ring1][O] | c16c(C)oc2cc(Br)c5cc12.C36=O.C4(C)=O.CO3.O45 |
4720 | CCC(=O)Oc1cc2c(C(=O)OC)c(C)oc2cc1Br | [C][C][C][=Branch1][C][=O][O][C][=C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][O][C][=Ring1][#Branch2][C][=C][Ring1][=C][Br] | c15cc2c6c(C)oc2cc1Br.CCC3=O.C46=O.O35.O4C |
4721 | CCn1c(NC(=O)c2cccs2)nc2ccccc21 | [C][C][N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n16c4nc2ccccc21.c15cccs1.C35=O.CC6.N34 |
4722 | Cn1cnnc1SCC(=O)Nc1ccc(F)cc1F | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.Cn1cnnc15.C3C2=O.S35.N24 |
4724 | COc1cccc(OC)c1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][O][C][O][Ring1][#Branch2] | c16cc2c(cc18)OCO2.c14cccc5c17.C37=O.C8(C)=O.CO4.O5C.N36 |
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