Structure ID stringlengths 16 23 | SMILES stringlengths 11 156 |
|---|---|
USPTO-50K-test-4903 | CCOCn1nccc1-c1cc(OC(F)(F)F)ccc1Oc1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2ncns2)cc1C#N |
USPTO-50K-test-4904 | CCOC(=O)[C@@H](CCCC1CCN(C(=O)OCc2ccccc2)CC1)N[C@H]1COc2ccccc2N(CC(=O)OCc2ccccc2)C1=O |
USPTO-50K-test-4905 | COc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2c(OCOCC[Si](C)(C)C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 |
USPTO-50K-test-4906 | CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2nccs2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)C |
USPTO-50K-test-4907 | CN(C)CCCOc1c2c(nc3ccccc13)O[C@@H]1C[C@@H](C(=O)O)N(C1)C(=O)[C@H](C1Cc3ccccc3C1)NC(=O)O[C@@H]1C[C@H]1CCCCC2 |
USPTO-50K-test-4908 | CCOc1cc(Cl)c(S(C)(=O)=O)cc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(N(C)CCCN(C)C)C1 |
USPTO-50K-test-4909 | CCCCNC(=O)CC1CCN(C(=O)N2C(c3cnc(C(C)(C)C)cc3OCC)=N[C@@](C)(c3ccc(Cl)cc3)[C@@]2(C)c2ccc(Cl)cc2)CC1 |
USPTO-50K-test-4910 | CCC(CC)(Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)N(C(=O)C(C)C)c1cc(Cl)ccc12)C(=O)NS(C)(=O)=O |
USPTO-50K-test-4911 | COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](CC(C)(C)C(=O)N(C)C)C[C@@H]3c3ccc(OC)cc3)cc21 |
USPTO-50K-test-4912 | Cc1cccc(C)c1OC(C)C(=O)O[C@H]1C[C@H](C(C)(C)C)C=C2C=C[C@H](C)[C@](CC[C@@H]3C[C@H](C(C)(C)C)C(O[SiH](C)C)C(=O)O3)(O[SiH](C)C)[C@H]21 |
USPTO-50K-test-4913 | COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(N)c4ccccc34)n2)cc(OC)c1 |
USPTO-50K-test-4914 | CC(C)(C)OC(=O)NCc1cc(F)c(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)NC3CCC(NC(=O)OC(C)(C)C)CC3)c2)c(F)c1 |
USPTO-50K-test-4915 | CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(OC(=O)c3ccc4c(c3)OCO4)CN2C1=O |
USPTO-50K-test-4916 | CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C2CCC1CN(C(=O)c1ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc1)C2 |
USPTO-50K-test-4917 | CCOCCn1c(N2CCCN(CCC3(Cc4ccc(F)cc4)CCN(Cc4cc(OC)c(OC)c(OC)c4)C3=O)CC2)nc2ccccc21 |
USPTO-50K-test-4918 | C=CC(=O)NCCN(C)c1cccc(Nc2cc(-c3cc(F)cc(-n4ncc5c6c(sc5c4=O)CCCC6)c3COC(C)=O)cn(C)c2=O)n1 |
USPTO-50K-test-4919 | CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(NC(=O)NC2CCCC2)CC1 |
USPTO-50K-test-4920 | CCOc1cc(C(F)(F)F)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 |
USPTO-50K-test-4921 | CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4ccc(NC(=O)c5cn(CCF)cc(-c6ccc(F)cc6)c5=O)cc4)c3)cn2)CC1 |
USPTO-50K-test-4922 | CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)CNc2nccs2)CC1 |
USPTO-50K-test-4923 | CCOCC(=O)OC(CC)C(C)C1OC1CC(C)/C=C/C=C(\C)C1OC(=O)C(O[SiH](C)C)C(C(C)(C)C)CCC(C)(O)C(OC(C)=O)C=CC1C |
USPTO-50K-test-4924 | CCOC(CN(Cc1cccc2ccccc12)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CONC(=O)NCc1ccccc1)OCC |
USPTO-50K-test-4925 | CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)O)n(-c3ccccc3)n2)CC1 |
USPTO-50K-test-4926 | COc1cc(C(=O)OCCC(=O)OC(C)(C)C)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F |
USPTO-50K-test-4927 | CCCN1CCC(c2cc(OC)c(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)cc2C)CC1 |
USPTO-50K-test-4928 | COCCCN1C(=O)CCc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCOCCc4ccccc4OC)cc3)cc21 |
USPTO-50K-test-4929 | CC(C(=O)NC(C(=O)N1CCC2C1C(OCc1ccc(F)cc1)CN2C(=O)NCc1ccccc1)C(C)(C)C)N(C)C(=O)OCc1ccccc1 |
USPTO-50K-test-4930 | COCCCN1C(=O)C(C)(C)c2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21 |
USPTO-50K-test-4931 | COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(CC(=O)N4CCCc5ccccc54)cc3)cc21 |
USPTO-50K-test-4932 | CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@H](NC(=O)[C@H](OC)[C@@H]2OC(C)(C)O[C@H](/C=C/C(C)(C)C)[C@H]2O)C(=O)N(Cc2cccnc2)C1 |
USPTO-50K-test-4933 | c1ccc2c(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c4)c4ccccc34)cccc2c1 |
USPTO-50K-test-4934 | Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CN2C(=O)c3ccccc3C2=O)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
USPTO-50K-test-4935 | CC(=O)NC[C@H]1CN(c2ccc(OCC3(OC(=O)CCC(=O)O)CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1 |
USPTO-50K-test-4936 | COc1ccc(CN2CCc3nc(NC(=O)N[C@H](C)c4ccccc4)cc4c3c2nn4C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 |
USPTO-50K-test-4937 | CC1(C)Cc2nc(C3CCN(c4ncc(OCCCCC(=O)O)cn4)CC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(C3CCC(F)(F)CC3)c2C(O)C1 |
USPTO-50K-test-4938 | COc1ccccc1COc1cc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCOC(=O)c3ccccc3)cc2)cc2ccccc12 |
USPTO-50K-test-4939 | CC(C)(C)OC(=O)N1C2CCC1CN(c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n1)C2 |
USPTO-50K-test-4940 | CC(C)(C)SSC[C@H](N)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O |
USPTO-50K-test-4941 | COc1c(NC(=O)c2cc3cccc(CN4CCN(C(=O)CN5CCN(C(=O)OC(C)(C)C)CC5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O |
USPTO-50K-test-4942 | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCCC)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O |
USPTO-50K-test-4943 | COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccnc(C(=O)NC(C)(C)C)c3)cn2)cc1 |
USPTO-50K-test-4944 | CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC)N(C)C(=O)[C@H](c1ccc(O)cc1)O3 |
USPTO-50K-test-4945 | C[C@H]1[C@H](OCC(C)(C)C)OC[C@H]([C@@H](OCc2ccccc2)[C@H](Cc2cc(F)cc(F)c2)N(Cc2ccccc2)Cc2ccccc2)N1C(=O)OC(C)(C)C |
USPTO-50K-test-4946 | CCCCCCCCCCCCCCCCCCCCCCOc1ccc(CO)c(OCCCCCCCCCCCCCCCCCCCCCC)c1 |
USPTO-50K-test-4947 | CCCO[C@@H]1C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(C(=O)N3CCC[C@@H]3COC)c2)N(C(=O)OC(C)(C)C)C1 |
USPTO-50K-test-4948 | C[Si](C)(C)CCOCn1ccnc1CN(Cc1nccn1COCC[Si](C)(C)C)C(=O)c1ccc(CN(CCCCN)C(=O)OCc2ccccc2)cc1 |
USPTO-50K-test-4949 | CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(/C=C/C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1=O |
USPTO-50K-test-4950 | CCCCCN(Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)N1CCCc2ccccc21 |
USPTO-50K-test-4951 | CNC(=O)C(C)(C)C[C@H]1C[C@H](c2ccc(COC[C@@H](C)COC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1S(=O)(=O)c1ccc(C)cc1 |
USPTO-50K-test-4952 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)N[C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C)C(=O)O |
USPTO-50K-test-4953 | O=C(NCc1ccc(F)cc1)c1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1 |
USPTO-50K-test-4954 | COCCCOCc1ccc([C@@H]2[C@@H](OC(c3ccc4c(c3)N(CCCOC)CCO4)S(=O)(=O)c3ccc(C)cc3)CNC[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1 |
USPTO-50K-test-4955 | CCOC(=O)Cc1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4/C=C/c4csc(COC(=O)c5ccccc5)n4)cc3OC)c(C)o2)cc1 |
USPTO-50K-test-4956 | O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2C[C@H](SC(c3ccccc3)(c3ccccc3)c3ccccc3)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 |
USPTO-50K-test-4957 | CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C)CSC12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 |
USPTO-50K-test-4958 | CCOC(=O)CCc1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)C(C)c3ccccc3C(F)(F)F)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1 |
USPTO-50K-test-4959 | CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1 |
USPTO-50K-test-4960 | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCO1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCO)C(C)C |
USPTO-50K-test-4961 | CCCCCCCCCCCCCCCC(=O)O[C@@H](CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC)C(C)C)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C |
USPTO-50K-test-4962 | CC(C)N(C(=O)c1cc2c(cc1C(F)(F)F)OC(C)(C)C(=O)N2CCNC(=O)C(F)F)[C@@H]1CC[C@H](CCN(C(=O)Cc2ccc(Cl)cc2)C2CC2)N(C(=O)OC(C)(C)C)C1 |
USPTO-50K-test-4963 | CCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCCCCCCCCCCCCCCCCCCCO)OC(=O)CCCCCCCCCCCCCCC |
USPTO-50K-test-4964 | CC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](SC(=O)C[C@@H]2[C@@H]([C@@H](C)OC(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)N2C(C(=O)OCc2ccc([N+](=O)[O-])cc2)=C(C)C)C1 |
USPTO-50K-test-4965 | CCCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc(c(-c5ccc(O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 |
USPTO-50K-test-4966 | COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(c2)N(CCCCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)CO3)cc1 |
USPTO-50K-test-4967 | CN(CCCN(C)C(=O)Cc1ccc(N)cc1)C(=O)CO[C@H]1Cc2ccccc2C12CCN(CC[C@@]1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2 |
USPTO-50K-test-4968 | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](Cc1ccccc1)c1nnc(-c2ccccc2)o1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCCC(=O)O)C(C)C |
USPTO-50K-test-4969 | CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4cc(OC)ccc4-n4c(C)nnc43)ccc2-n2c(C)nnc21 |
USPTO-50K-test-4970 | C/C=C/C1=CN2C(=O)c3cc(OC)c(OCCCOc4cc5c(cc4OC)C(=O)N4C=C(/C=C/CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CI)C(C)C)C[C@H]4C=N5)cc3N=C[C@@H]2C1 |
USPTO-50K-test-4971 | CCCOc1ccc(-c2ccc(-c3ccc[se]3)cc2)c(F)c1F |
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