jablonkagroup/ChemFuse
Updated
psmiles stringlengths 6 316 | bigsmiles stringlengths 1 308 | polymer_name stringlengths 8 438 ⌀ | polymer_class stringclasses 9
values |
|---|---|---|---|
[*]C(=O)OCC(O)C1C2CCC1(O)C2C(O)COC(=O)C1C([*])CC2C(C)C21 | {<C(=O)OCC(O)C1C2CCC1(O)C2C(O)COC(=O)C1C(CC2C(C)C21)>} | poly(6-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-5,6-bis(oxiran-2-yl)bicyclo[2.1.1]hexan-1-ol) | vitrimer |
[*]NCCC(O)CC1(C)C(C(O)CNC23CCNC2C([*])(CN)C(C)N(C)C3C#C)NS1(=O)=O | {<NCCC(O)CC1(C)C(NS1(=O)=O)C(O)CNC23CCNC2C(CN)(C(C)N(C)C3C#C)>} | poly(7-(aminomethyl)-4-ethynyl-5,6-dimethyl-1,2,3,4,6,7a-hexahydropyrrolo[3,2-c]pyridine-3a,7-diamine-co-4-methyl-3-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)thiazetidine1,1-dioxide) | epoxy |
[*]CC(=N)NCC(O)C1(C)CC2C(C(O)CCNC(=N)C3(CO)CNC(C([*])(C)C)=N3)C2(O)C1 | {<CC(=N)NCC(O)C1(C)CC2C(C2(O)C1)C(O)CCNC(=N)C3(CO)CNC(=N3)C(C)(C)>} | poly(2-(4-amino-4-imino-2-methylbutan-2-yl)-4-(hydroxymethyl)-1,5-dihydroimidazole-4-carboximidamide-co-3-methyl-3,6-bis(oxiran-2-yl)bicyclo[3.1.0]hexan-1-ol) | epoxy |
[*]OC(=O)C1NC(=O)COCC(C)C(C)(OC(=O)C2OCCC2([*])CN(C)C(=O)C(C)C)C1C | {<OC(=O)C1NC(=O)COCC(C)C(C)(C1C)OC(=O)C2OCCC2(CN(C)C(=O)C(C)C)>} | poly(3-hydroxy-3-[[methyl(2-methylpropanoyl)amino]methyl]oxolane-2-carboxylicacid-co-7-hydroxy-6,7,8-trimethyl-3-oxo-1,4-oxazonane-5-carboxylicacid) | polyester |
[*]C(O)COC(=O)CC(CC1(C)CC1)C(=O)OCC(O)C([*])(ON=C)C1CO1 | {<C(O)COC(=O)CC(CC1(C)CC1)C(=O)OCC(O)C(ON=C)(C1CO1)>} | poly(2-[(1-methylcyclopropyl)methyl]butanedioicacid-co-N-[tris(oxiran-2-yl)methoxy]methanimine) | vitrimer |
[*]C(=O)OCC(O)C(C(O)COC(=O)C1C([*])C2CC2C1C)C1(CO)CCC1 | {<C(=O)OCC(O)C(C1(CO)CCC1)C(O)COC(=O)C1C(C2CC2C1C)>} | poly(4-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-[1-[bis(oxiran-2-yl)methyl]cyclobutyl]methanol) | vitrimer |
[*]C(O)COC(=O)C1C2C(C(=O)OCC(O)C(CO)C([*])(O)CC)C=CC12C | {<C(O)COC(=O)C1C2C(C=CC12C)C(=O)OCC(O)C(CO)C(O)(CC)>} | poly(5-methylbicyclo[3.1.0]hex-3-ene-2,6-dicarboxylicacid-co-2,3-bis(oxiran-2-yl)pentane-1,3-diol) | vitrimer |
[*]c1cc(NCC(O)C(=O)C2C(=N)N(C)C2C(O)CCNCCCN([*])C)cc(OCCC)n1 | {<c1cc(cc(OCCC)n1)NCC(O)C(=O)C2C(=N)N(C)C2C(O)CCNCCCN(C)>} | poly(2-N-(3-aminopropyl)-2-N-methyl-6-propoxypyridine-2,4-diamine-co-[2-imino-1-methyl-4-(oxiran-2-yl)azetidin-3-yl]-(oxiran-2-yl)methanone) | epoxy |
[*]NCCC(O)C1C(C(=O)C(O)CNc2nc(CC#N)n3c2C([*])(CC#C)C(C)C3)C(=N)N1C | {<NCCC(O)C1C(C(=N)N1C)C(=O)C(O)CNc2nc(CC#N)n3c2C(CC#C)(C(C)C3)>} | poly(2-(1,7-diamino-6-methyl-7-prop-2-ynyl-5,6-dihydropyrrolo[1,2-c]imidazol-3-yl)acetonitrile-co-[2-imino-1-methyl-4-(oxiran-2-yl)azetidin-3-yl]-(oxiran-2-yl)methanone) | epoxy |
[*]NCC(O)C1NS(=O)(=O)C1(C)CC(O)CCNCCCCNC1CNC(C([*])C(C)O)C1N | {<NCC(O)C1NS(=O)(=O)C1(C)CC(O)CCNCCCCNC1CNC(C1N)C(C(C)O)>} | poly(1-amino-1-[3-amino-4-(4-aminobutylamino)pyrrolidin-2-yl]propan-2-ol-co-4-methyl-3-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)thiazetidine1,1-dioxide) | epoxy |
[*]C(O)COC(=O)C1C=CC2C(C(=O)OCC(O)C([*])N3CC3C(C)=O)C12C | {<C(O)COC(=O)C1C=CC2C(C12C)C(=O)OCC(O)C(N3CC3C(C)=O)>} | poly(1-methylbicyclo[3.1.0]hex-3-ene-2,6-dicarboxylicacid-co-1-[1-[bis(oxiran-2-yl)methyl]aziridin-2-yl]ethanone) | vitrimer |
[*]C(=O)OCC(O)C(=CCCCO)CC(O)COC(=O)C1C2CCC([*])C21C | {<C(=O)OCC(O)C(=CCCCO)CC(O)COC(=O)C1C2CCC(C21C)>} | poly(1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylicacid-co-5,6-bis(oxiran-2-yl)hex-4-en-1-ol) | vitrimer |
[*]CCC(=O)OCC(O)C(O)(CC#CC#N)C(O)COC(=O)C([*])C1(C)CC1 | {<CCC(=O)OCC(O)C(O)(CC#CC#N)C(O)COC(=O)C(C1(C)CC1)>} | poly(2-(1-methylcyclopropyl)pentanedioicacid-co-5-hydroxy-5,5-bis(oxiran-2-yl)pent-2-ynenitrile) | vitrimer |
[*]C(=O)N1C2(C)CCCC2=CC1(C(=O)N1CCC2([*])CC(NC(=O)C#C)C1(C)C2)C1COC1 | {<C(=O)N1C2(C)CCCC2=CC1(C1COC1)C(=O)N1CCC2(CC(NC(=O)C#C)C1(C)C2)>} | poly(1-methyl-7-(prop-2-ynoylamino)-2-azabicyclo[3.2.1]octane-5-carboxylicacid-co-6a-methyl-2-(oxetan-3-yl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylicacid) | polyamide |
[*]C(=CC)C(O)(C#N)C(O)COC(=O)C(C#CC1(C)CC1)C(=O)OCC([*])O | {<C(=CC)C(O)(C#N)C(O)COC(=O)C(C#CC1(C)CC1)C(=O)OCC(O)>} | poly(2-[2-(1-methylcyclopropyl)ethynyl]propanedioicacid-co-2-hydroxy-2,3-bis(oxiran-2-yl)pent-3-enenitrile) | vitrimer |
[*]COC(=O)C(=NO)C1(OC(=O)C(C)C([*])c2ncoc2OC(C)=O)CC(C2CC2)=CC(C)C1 | {<COC(=O)C(=NO)C1(CC(C2CC2)=CC(C)C1)OC(=O)C(C)C(c2ncoc2OC(C)=O)>} | poly(3-(5-acetyloxy-1,3-oxazol-4-yl)-4-hydroxy-2-methylbutanoicacid-co-2-(3-cyclopropyl-1-hydroxy-5-methylcyclohex-3-en-1-yl)-2-hydroxyiminoaceticacid) | polyester |
[*]C(=O)OC1(C(C)C(=O)OCC2=NC(C)(C)C([*])(C(C)NCC)N2)CC=C2COC(C)(C)C21 | {<C(=O)OC1(CC=C2COC(C)(C)C21)C(C)C(=O)OCC2=NC(C)(C)C(C(C)NCC)(N2)>} | poly(2-(4-hydroxy-3,3-dimethyl-3a,5-dihydro-1H-cyclopenta[c]furan-4-yl)propanoicacid-co-5-[1-(ethylamino)ethyl]-2-(hydroxymethyl)-4,4-dimethyl-1H-imidazole-5-carboxylicacid) | polyester |
[*]CN1C(=O)CN(CCN2CC(=O)N(C3C([*])OC4C(C)C3OC4(C)CC(C)C)C(=O)C2)CC1=O | {<CN1C(=O)CN(CC1=O)CCN2CC(=O)N(C(=O)C2)C3C(OC4C(C)C3OC4(C)CC(C)C)>} | poly(4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione-co-3-(aminomethyl)-7,8-dimethyl-7-(2-methylpropyl)-2,6-dioxabicyclo[3.2.1]octan-4-amine) | polyimide |
[*]CC(CC([*])OC(=O)Cc1ccccc1)c1ncc[nH]1 | {$CC(c1ncc[nH]1)CC(OC(=O)Cc1ccccc1)$} | poly(2-ethenyl-1H-imidazole-co-ethenyl2-phenylethanoate) | polyolefin |
[*]C(=O)OCC(O)CC1(CO)C(C(O)COC(=O)C2C([*])C2C2CC2C)N1C | {<C(=O)OCC(O)CC1(CO)C(N1C)C(O)COC(=O)C2C(C2C2CC2C)>} | poly(3-(2-methylcyclopropyl)cyclopropane-1,2-dicarboxylicacid-co-[1-methyl-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)aziridin-2-yl]methanol) | vitrimer |
[*]CN1C(=O)[C@@H]2C3C=CC([C@H]4C(=O)N(C5([*])C(C)C6(C)C(NS(C)(=O)=O)CCC65)C(=O)[C@@H]34)[C@@H]2C1=O | {<CN1C(=O)[C@@H]2C3C=CC([C@@H]2C1=O)[C@H]4C(=O)N(C(=O)[C@@H]34)C5(C(C)C6(C)C(NS(C)(=O)=O)CCC65)>} | poly((2S,6R,8S,12R)-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone-co-N-[6-amino-6-(aminomethyl)-1,7-dimethyl-2-bicyclo[3.2.0]heptanyl]methanesulfonamide) | polyimide |
[*]CNCC(O)C1C(=NCC(O)CCNC2(C)C([*])NCCC(C(C#N)CC)C2N)NCC1C | {<CNCC(O)C1C(NCC1C)=NCC(O)CCNC2(C)C(NCCC(C(C#N)CC)C2N)>} | poly(2-[3,4-diamino-2-(aminomethyl)-3-methylazepan-5-yl]butanenitrile-co-4-methyl-3-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)pyrrolidin-2-imine) | epoxy |
[*]C(=O)OCC(O)CNC(=NCC#N)C(O)COC(=O)C1C2CCC1(C)C2[*] | {<C(=O)OCC(O)CNC(=NCC#N)C(O)COC(=O)C1C2CCC1(C)C2>} | poly(1-methylbicyclo[2.1.1]hexane-5,6-dicarboxylicacid-co-N'-(cyanomethyl)-N-(oxiran-2-ylmethyl)oxirane-2-carboximidamide) | vitrimer |
[*]C(O)COC(=O)C1CC2C(C(=O)OCC(O)C([*])C=C(C)C=NO)C2(C)C1 | {<C(O)COC(=O)C1CC2C(C2(C)C1)C(=O)OCC(O)C(C=C(C)C=NO)>} | poly(1-methylbicyclo[3.1.0]hexane-3,6-dicarboxylicacid-co-N-[2-methyl-4,4-bis(oxiran-2-yl)but-2-enylidene]hydroxylamine) | vitrimer |
[*]OC(=O)C1(CC)CCC(OC(=O)C2C([*])(C)C(=O)C23NC=NC3CC)CC(=O)CN=C1N | {<OC(=O)C1(CC)CCC(CC(=O)CN=C1N)OC(=O)C2C(C)(C(=O)C23NC=NC3CC)>} | poly(8-ethyl-2-hydroxy-2-methyl-3-oxo-5,7-diazaspiro[3.4]oct-6-ene-1-carboxylicacid-co-2-amino-3-ethyl-6-hydroxy-8-oxo-5,6,7,9-tetrahydro-4H-azonine-3-carboxylicacid) | polyester |
[*]NCC(=O)OCCC1(OCC)COC(C(=O)OCC2(C)NCC(=O)C([*])C2C#C)C(C)CO1 | {<NCC(=O)OCCC1(OCC)COC(C(C)CO1)C(=O)OCC2(C)NCC(=O)C(C2C#C)>} | poly(2-[[3-ethynyl-2-(hydroxymethyl)-2-methyl-5-oxopiperidin-4-yl]amino]aceticacid-co-2-ethoxy-2-(2-hydroxyethyl)-6-methyl-1,4-dioxepane-5-carboxylicacid) | polyester |
[*]CC1CCC2(Oc3c[nH]c(=N)c(Cl)c3O2)C1C([*])C12OC1C1(C)OC(C1=NO)S2(=O)=O | {<CC1CCC2(Oc3c[nH]c(=N)c(Cl)c3O2)C1C(C12OC1C1(C)OC(C1=NO)S2(=O)=O)>} | poly(N-(4-ethenyl-1-methyl-5,5-dioxo-3,7-dioxa-5λ6-thiatricyclo[4.1.1.02,4]octan-8-ylidene)hydroxylamine-co-7-chlorospiro[5H-[1,3]dioxolo[4,5-c]pyridine-2,3'-cyclopentene]-6-imine) | polyolefin |
[*]C(O)COC(=O)C1CCC2C(C(=O)OCC(O)C([*])CC=CC=CC)C12C | {<C(O)COC(=O)C1CCC2C(C12C)C(=O)OCC(O)C(CC=CC=CC)>} | poly(1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylicacid-co-2-[1-(oxiran-2-yl)hepta-3,5-dienyl]oxirane) | vitrimer |
[*]C(=O)OCC(O)CC1C=C(C(O)COC(=O)C2C3CCC2(C)C3[*])NC=N1 | {<C(=O)OCC(O)CC1C=C(NC=N1)C(O)COC(=O)C2C3CCC2(C)C3>} | poly(1-methylbicyclo[2.1.1]hexane-5,6-dicarboxylicacid-co-6-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)-1,4-dihydropyrimidine) | vitrimer |
[*]CCOC(=O)C1(C(C)C(C)N2C(=O)[C@@H]3[C@H](C2=O)C2(NC(=O)c4ccccc4)C=C(c4ccc(OC)cc4)C3(C)[C@H]3C(=O)N([*])C(=O)[C@H]32)OCC(C)O1 | {<CCOC(=O)C1(OCC(C)O1)C(C)C(C)N2C(=O)[C@@H]3[C@H](C2=O)C2(NC(=O)c4ccccc4)C=C(c4ccc(OC)cc4)C3(C)[C@H]3C(=O)N(C(=O)[C@H]32)>} | poly(N-[(2R,6S,8R,12S)-14-(4-methoxyphenyl)-7-methyl-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-1-yl]benzamide-co-2-aminoethyl2-(3-aminobutan-2-yl)-4-methyl-1,3-dioxolane-2-carboxylate) | polyimide |
[*]C(=O)OCC(O)C1C2C=C(CC(O)COC(=O)C3C4C=CC([*])C43C)CC21 | {<C(=O)OCC(O)C1C2C=C(CC21)CC(O)COC(=O)C3C4C=CC(C43C)>} | poly(1-methylbicyclo[3.1.0]hex-3-ene-2,6-dicarboxylicacid-co-2-[[6-(oxiran-2-yl)-3-bicyclo[3.1.0]hex-2-enyl]methyl]oxirane) | vitrimer |
[*]NC(=O)C1OC(=O)C2(C)CC1(CC(=O)NCC1C(C#N)C3(C#C)CCCC1(C)C([*])C3)C2 | {<NC(=O)C1OC(=O)C2(C)CC1(C2)CC(=O)NCC1C(C#N)C3(C#C)CCCC1(C)C(C3)>} | poly(1-(carboxymethyl)-5-methyl-4-oxo-3-oxabicyclo[3.1.1]heptane-2-carboxylicacid-co-8-amino-7-(aminomethyl)-5-ethynyl-1-methylbicyclo[3.2.2]nonane-6-carbonitrile) | polyamide |
[*]C(=O)OCC(O)C(C(C)CC=NO)C(O)COC(=O)C([*])C1(C)CC1C#C | {<C(=O)OCC(O)C(C(C)CC=NO)C(O)COC(=O)C(C1(C)CC1C#C)>} | poly(2-(2-ethynyl-1-methylcyclopropyl)propanedioicacid-co-N-[3-methyl-4,4-bis(oxiran-2-yl)butylidene]hydroxylamine) | vitrimer |
[*]CC(=O)OCC(O)C1(CO)CC(C(O)COC(=O)C([*])CC2(C)CC2)CO1 | {<CC(=O)OCC(O)C1(CO)CC(CO1)C(O)COC(=O)C(CC2(C)CC2)>} | poly(2-[(1-methylcyclopropyl)methyl]butanedioicacid-co-[2,4-bis(oxiran-2-yl)oxolan-2-yl]methanol) | vitrimer |
[*]C(O)CCNC1C2CCC1(NCC(O)C([*])C(O)(C#C)CC)C(O)C2(C)CCOCC#N | {<C(O)CCNC1C2CCC1(C(O)C2(C)CCOCC#N)NCC(O)C(C(O)(C#C)CC)>} | poly(2-[2-(4,7-diamino-3-hydroxy-2-methyl-2-bicyclo[2.2.1]heptanyl)ethoxy]acetonitrile-co-3-[bis(oxiran-2-yl)methyl]pent-1-yn-3-ol) | epoxy |
[*]NC(=O)C1C(NC(=O)C([*])C2=CC(C)(C#N)CC3(C)NC23)C2(C)CCC1(C)N1C=NCC12 | {<NC(=O)C1C(C2(C)CCC1(C)N1C=NCC12)NC(=O)C(C2=CC(C)(C#N)CC3(C)NC23)>} | poly(8-amino-1,7-dimethyl-2,4-diazatricyclo[5.2.2.02,6]undec-3-ene-9-carboxylicacid-co-2-amino-2-(4-cyano-4,6-dimethyl-7-azabicyclo[4.1.0]hept-2-en-2-yl)aceticacid) | polyamide |
[*]C(O)CCNC(C#N)(c1cnoc1)c1csc(C(C)NCC(O)C([*])(CCC)COC=N)n1 | {<C(O)CCNC(C#N)(c1cnoc1)c1csc(n1)C(C)NCC(O)C(CCC)(COC=N)>} | poly(2-amino-2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(1,2-oxazol-4-yl)acetonitrile-co-2,2-bis(oxiran-2-yl)pentylmethanimidate) | epoxy |
[*]C1=CC=C(C=C)C1C(O)COC(=O)C1C(C(=O)OCC([*])O)C1C1CC1C | {<C1=CC=C(C=C)C1C(O)COC(=O)C1C(C1C1CC1C)C(=O)OCC(O)>} | poly(3-(2-methylcyclopropyl)cyclopropane-1,2-dicarboxylicacid-co-2-[2-ethenyl-5-(oxiran-2-yl)cyclopenta-2,4-dien-1-yl]oxirane) | vitrimer |
[*]C(O)COC(=O)C1C(C(=O)OCC(O)C2C=COC2([*])CC)CC2CC21C | {<C(O)COC(=O)C1C(CC2CC21C)C(=O)OCC(O)C2C=COC2(CC)>} | poly(1-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-2-ethyl-2,3-bis(oxiran-2-yl)-3H-furan) | vitrimer |
[*]OC(=O)NCCCCCCNC(=O)OCC1OC(C(C)C(=O)C#N)COC(=N)C1[*] | {<OC(=O)NCCCCCCNC(=O)OCC1OC(C(C)C(=O)C#N)COC(=N)C1>} | poly(1,6-diisocyanatohexane-co-2-[6-hydroxy-7-(hydroxymethyl)-5-imino-1,4-dioxepan-2-yl]propanoylcyanide) | polyurethane |
[*]C(=O)OCC(O)CN1C(=O)CN=C1C(O)COC(=O)C1C2C=CC1(C)C2[*] | {<C(=O)OCC(O)CN1C(=O)CN=C1C(O)COC(=O)C1C2C=CC1(C)C2>} | poly(1-methylbicyclo[2.1.1]hex-2-ene-5,6-dicarboxylicacid-co-2-(oxiran-2-yl)-1-(oxiran-2-ylmethyl)-4H-imidazol-5-one) | vitrimer |
[*]C(O)CNC(=NC1CC2CC1C(C(C)=O)CC2CO)NCCC(O)C(=O)C(C)C([*])C#CC | {<C(O)CNC(=NC1CC2CC1C(C(C)=O)CC2CO)NCCC(O)C(=O)C(C)C(C#CC)>} | poly(2-[4-acetyl-2-(hydroxymethyl)-6-bicyclo[3.2.1]octanyl]guanidine-co-2-methyl-1,3-bis(oxiran-2-yl)hex-4-yn-1-one) | epoxy |
[*]CC(=O)OCCC(=O)Oc1c(NCC(=O)OC23C=C([*])N(C(=O)C(C)=NO)C2C3)nsc1C | {<CC(=O)OCCC(=O)Oc1c(nsc1C)NCC(=O)OC23C=C(N(C(=O)C(C)=NO)C2C3)>} | poly(2-[5-hydroxy-2-(2-hydroxyiminopropanoyl)-2-azabicyclo[3.1.0]hex-3-en-3-yl]aceticacid-co-2-[[4-(3-hydroxypropanoyloxy)-5-methyl-1,2-thiazol-3-yl]amino]aceticacid) | polyester |
[*]C(O)CCNC1(CO)C2(C)CCC1(c1n[nH]cc1NCC(O)C([*])(CC#C)OCC#N)NC2 | {<C(O)CCNC1(CO)C2(C)CCC1(NC2)c1n[nH]cc1NCC(O)C(CC#C)(OCC#N)>} | poly([7-amino-1-(4-amino-1H-pyrazol-3-yl)-4-methyl-2-azabicyclo[2.2.1]heptan-7-yl]methanol-co-2-[1,1-bis(oxiran-2-yl)but-3-ynoxy]acetonitrile) | epoxy |
[*]CC1C(=O)N(CO)C(=O)C1C([*])C(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1 | {<CC1C(=O)N(CO)C(=O)C1C(C(=O)Oc1ccc(C(=O)OCc2ccccc2)cc1)>} | poly((phenylmethyl)4-prop-2-enoyloxybenzoate-co-1-(hydroxymethyl)pyrrole-2,5-dione) | polyolefin |
[*]C(O)CCNc1cc(NCC(O)C2(O)CC(O)C2C([*])C)nc2c1N(C)CC1(CC2)CO1 | {<C(O)CCNc1cc(nc2c1N(C)CC1(CC2)CO1)NCC(O)C2(O)CC(O)C2C(C)>} | poly(5-methylspiro[8,9-dihydro-6H-pyrido[3,2-b]azepine-7,2'-oxirane]-2,4-diamine-co-1-(oxiran-2-yl)-2-[1-(oxiran-2-yl)ethyl]cyclobutane-1,3-diol) | epoxy |
[*]NCCC(O)CC1=CCC2C1OC2C(O)CNc1sc([*])c(I)c(=NCC(C)(O)C#N)c1I | {<NCCC(O)CC1=CCC2C1OC2C(O)CNc1sc(c(I)c(=NCC(C)(O)C#N)c1I)>} | poly(3-[(2,6-diamino-3,5-diiodothiopyran-4-ylidene)amino]-2-hydroxy-2-methylpropanenitrile-co-7-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)-6-oxabicyclo[3.2.0]hept-3-ene) | epoxy |
[*]C(=O)N1C2CC(C#C)C(C)(C2)C1(C#N)CC(=O)NC1CC2(C)CCCC2([*])CNC1C#C | {<C(=O)N1C2CC(C#C)C(C)(C2)C1(C#N)CC(=O)NC1CC2(C)CCCC2(CNC1C#C)>} | poly(4-amino-3-ethynyl-5a-methyl-1,2,3,4,5,6,7,8-octahydrocyclopenta[c]azepine-8a-carboxylicacid-co-2-(3-cyano-5-ethynyl-4-methyl-2-azabicyclo[2.2.1]heptan-3-yl)aceticacid) | polyamide |
[*]C(=O)OCC(O)CC(CC(O)COC(=O)C([*])C(=C)C1(C)CC1)C(=N)NC | {<C(=O)OCC(O)CC(C(=N)NC)CC(O)COC(=O)C(C(=C)C1(C)CC1)>} | poly(2-[1-(1-methylcyclopropyl)ethenyl]propanedioicacid-co-N-methyl-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanimidamide) | vitrimer |
[*]C(=O)OCC(O)C(=O)CCC(C)(C)C(O)COC(=O)C1C([*])C1C1CC1C | {<C(=O)OCC(O)C(=O)CCC(C)(C)C(O)COC(=O)C1C(C1C1CC1C)>} | poly(3-(2-methylcyclopropyl)cyclopropane-1,2-dicarboxylicacid-co-4-methyl-1,4-bis(oxiran-2-yl)pentan-1-one) | vitrimer |
[*]C(O)CCNCC(C)(C)C(CC)(CC1=NCC(O)CO1)NCC(O)C([*])(CC#C)OCC#N | {<C(O)CCNCC(C)(C)C(CC)(CC1=NCC(O)CO1)NCC(O)C(CC#C)(OCC#N)>} | poly(2-(2,4-diamino-2-ethyl-3,3-dimethylbutyl)-5,6-dihydro-4H-1,3-oxazin-5-ol-co-2-[1,1-bis(oxiran-2-yl)but-3-ynoxy]acetonitrile) | epoxy |
[*]CC(CC([*])(C)C1=NC(C#CC)C(C#N)N1)C12NC(C)C(N)(C1O)C2(C)O | {$CC(C12NC(C)C(N)(C1O)C2(C)O)CC(C)(C1=NC(C#CC)C(C#N)N1)$} | poly(2-prop-1-en-2-yl-4-prop-1-ynyl-4,5-dihydro-1H-imidazole-5-carbonitrile-co-4-amino-1-ethenyl-3,5-dimethyl-2-azabicyclo[2.1.1]hexane-5,6-diol) | polyolefin |
[*]CC1CC(C(O)COC(=O)C(CC(=O)OCC(O)C([*])C)C2(C)CC2C)O1 | {<CC1CC(O1)C(O)COC(=O)C(C2(C)CC2C)CC(=O)OCC(O)C(C)>} | poly(2-(1,2-dimethylcyclopropyl)butanedioicacid-co-2-(oxiran-2-yl)-4-[2-(oxiran-2-yl)propyl]oxetane) | vitrimer |
[*]CC(=O)OC12CC(C(=O)OCCOC3CC(C)C([*])CC3CC)=C(CC(C)C#N)C1C2 | {<CC(=O)OC12CC(=C(CC(C)C#N)C1C2)C(=O)OCCOC3CC(C)C(CC3CC)>} | poly(2-[5-ethyl-4-(2-hydroxyethoxy)-2-methylcyclohexyl]aceticacid-co-4-(2-cyanopropyl)-1-hydroxybicyclo[3.1.0]hex-3-ene-3-carboxylicacid) | polyester |
[*]NCC(O)C1C(=NCC(O)CCNC2c3cscc3C(C)(C(CC)CC)CC2[*])NCC1C | {<NCC(O)C1C(NCC1C)=NCC(O)CCNC2c3cscc3C(C)(C(CC)CC)CC2>} | poly(7-methyl-7-pentan-3-yl-5,6-dihydro-4H-2-benzothiophene-4,5-diamine-co-4-methyl-3-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)pyrrolidin-2-imine) | epoxy |
[*]C(O)COC(=O)CCC(C(=O)OCC(O)C([*])C(O)(C#C)CO)C1(C)CC1 | {<C(O)COC(=O)CCC(C1(C)CC1)C(=O)OCC(O)C(C(O)(C#C)CO)>} | poly(2-(1-methylcyclopropyl)pentanedioicacid-co-2-[bis(oxiran-2-yl)methyl]but-3-yne-1,2-diol) | vitrimer |
*CC(*)COCC(O)COCC(*)CC(C*)[Si](C)(C)O[Si](C)(C)C(*)C* | {<CC(*)COCC(O)COCC(*)CC(C*)[Si](C)(C)O[Si](C)(C)C(*)C>} | poly(ethenyl-[ethenyl(dimethyl)silyl]oxy-dimethyl-silane-co-1,3-bis(prop-2-enoxy)propan-2-ol) | polyolefin |
[*]C(O)COC(=O)C1CC(C(=O)OCC(O)C([*])(O)COC=CC)C2(C)CC12 | {<C(O)COC(=O)C1CC(C2(C)CC12)C(=O)OCC(O)C(O)(COC=CC)>} | poly(1-methylbicyclo[3.1.0]hexane-2,4-dicarboxylicacid-co-1,1-bis(oxiran-2-yl)-2-prop-1-enoxyethanol) | vitrimer |
[*]NC(=O)CCCCCCCCC(=O)Nc1nc([*])nc(C=C)n1 | {<NC(=O)CCCCCCCCC(=O)Nc1nc(nc(C=C)n1)>} | poly(decanedioicacid-co-6-ethenyl-1,3,5-triazine-2,4-diamine) | polyamide |
[*]=NNC(=O)C(O)COC(=O)C(CC1(C)CC1C)C(=O)OCC(O)C(=[*])C#C | {<=NNC(=O)C(O)COC(=O)C(CC1(C)CC1C)C(=O)OCC(O)C(C#C)=>} | poly(2-[(1,2-dimethylcyclopropyl)methyl]propanedioicacid-co-N-[1-(oxiran-2-yl)prop-2-ynylideneamino]oxirane-2-carboxamide) | vitrimer |
[*]CC(=O)OCC(O)C1C(CO)CC1(O)C(O)COC(=O)C1C(C)C1C([*])=C | {<CC(=O)OCC(O)C1C(CO)CC1(O)C(O)COC(=O)C1C(C)C1C(=C)>} | poly(2-(3-carboxyprop-1-en-2-yl)-3-methylcyclopropane-1-carboxylicacid-co-3-(hydroxymethyl)-1,2-bis(oxiran-2-yl)cyclobutan-1-ol) | vitrimer |
[*]C(=O)OCC(O)CC(=O)C1CC(C(O)COC(=O)C2CC([*])C3CC23C)O1 | {<C(=O)OCC(O)CC(=O)C1CC(O1)C(O)COC(=O)C2CC(C3CC23C)>} | poly(1-methylbicyclo[3.1.0]hexane-2,4-dicarboxylicacid-co-2-(oxiran-2-yl)-1-[4-(oxiran-2-yl)oxetan-2-yl]ethanone) | vitrimer |
[*]=CC(O)COC(=O)C1C(C(=O)OCC(O)C(=[*])CN(C)CC)CC2(C)CC12 | {<=CC(O)COC(=O)C1C(CC2(C)CC12)C(=O)OCC(O)C(CN(C)CC)=>} | poly(5-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-N-ethyl-N-methyl-2,3-bis(oxiran-2-yl)prop-2-en-1-amine) | vitrimer |
[*]Cc1sc(OC(=O)NC2CCCCC2Cc2ccc(C)c(NC(=O)OC([*])CC)c2)c2c1COCC(=N)O2 | {<Cc1sc(c2c1COCC(=N)O2)OC(=O)NC2CCCCC2Cc2ccc(C)c(c2)NC(=O)OC(CC)>} | poly(2-isocyanato-4-[(2-isocyanatocyclohexyl)methyl]-1-methylbenzene-co-6-(2-hydroxybutyl)-2-imino-5H-thieno[3,4-e][1,4]dioxepin-8-ol) | polyurethane |
[*]OC(=O)CNC1C(=O)C2C(COC(=O)C3CC(C([*])C)C(=N)N(C=N)CCN3)NCC1C2C | {<OC(=O)CNC1C(=O)C2C(NCC1C2C)COC(=O)C3CC(C(=N)N(C=N)CCN3)C(C)>} | poly(2-[[2-(hydroxymethyl)-8-methyl-7-oxo-3-azabicyclo[3.2.1]octan-6-yl]amino]aceticacid-co-7-(1-hydroxyethyl)-8-imino-1-methanimidoyl-1,4-diazocane-5-carboxylicacid) | polyester |
[*]C(=O)OCC(O)c1ncc(C(=O)C(O)COC(=O)C2C3CCC([*])C32C)o1 | {<C(=O)OCC(O)c1ncc(o1)C(=O)C(O)COC(=O)C2C3CCC(C32C)>} | poly(1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylicacid-co-oxiran-2-yl-[2-(oxiran-2-yl)-1,3-oxazol-5-yl]methanone) | vitrimer |
[*]COC(CO)C(O)COC(=O)C(CC(=O)OCC(O)C([*])C)CC1(C)CC1 | {<COC(CO)C(O)COC(=O)C(CC1(C)CC1)CC(=O)OCC(O)C(C)>} | poly(2-[(1-methylcyclopropyl)methyl]butanedioicacid-co-2-(oxiran-2-yl)-2-[2-(oxiran-2-yl)propoxy]ethanol) | vitrimer |
[*]CNCC(O)C1C(=O)C(C(O)CCNCCC#CC2NC([*])(C)CC2C#C)=CNC1C | {<CNCC(O)C1C(=O)C(=CNC1C)C(O)CCNCCC#CC2NC(C)(CC2C#C)>} | poly(4-[5-(aminomethyl)-3-ethynyl-5-methylpyrrolidin-2-yl]but-3-yn-1-amine-co-2-methyl-3,5-bis(oxiran-2-yl)-2,3-dihydro-1H-pyridin-4-one) | epoxy |
[*]C1=CC(C)(C(O)COC(=O)C2C3C=CC2(C)C3C(=O)OCC([*])O)C(=C)C1 | {<C1=CC(C)(C(=C)C1)C(O)COC(=O)C2C3C=CC2(C)C3C(=O)OCC(O)>} | poly(1-methylbicyclo[2.1.1]hex-2-ene-5,6-dicarboxylicacid-co-2-[1-methyl-5-methylidene-3-(oxiran-2-yl)cyclopent-2-en-1-yl]oxirane) | vitrimer |
[*]C(O)COC(=O)C1C(C)C2CC1C2C(=O)OCC(O)C([*])(C#C)CC(N)=O | {<C(O)COC(=O)C1C(C)C2CC1C2C(=O)OCC(O)C(C#C)(CC(N)=O)>} | poly(3-methylbicyclo[2.1.1]hexane-2,5-dicarboxylicacid-co-3,3-bis(oxiran-2-yl)pent-4-ynamide) | vitrimer |
[*]C(=O)OCC1C2OC(=N)C1(C)N(C(C)C(=O)OC(C)c1cnc([*])c(C#C)c1N(C)C)C2=O | {<C(=O)OCC1C2OC(=N)C1(C)N(C2=O)C(C)C(=O)OC(C)c1cnc(c(C#C)c1N(C)C)>} | poly(4-(dimethylamino)-3-ethynyl-5-(1-hydroxyethyl)pyridine-2-carboxylicacid-co-2-[7-(hydroxymethyl)-3-imino-4-methyl-6-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propanoicacid) | polyester |
[*]C(=O)OCC(O)C#CCC1(C(O)COC(=O)C2CC([*])C3CC23C)CCC1 | {<C(=O)OCC(O)C#CCC1(CCC1)C(O)COC(=O)C2CC(C3CC23C)>} | poly(1-methylbicyclo[3.1.0]hexane-2,4-dicarboxylicacid-co-2-[1-[3-(oxiran-2-yl)prop-2-ynyl]cyclobutyl]oxirane) | vitrimer |
[*]C(=O)OCC(O)C(CO)=C(CCO)C(O)COC(=O)C1C2CCC([*])C21C | {<C(=O)OCC(O)C(CO)=C(CCO)C(O)COC(=O)C1C2CCC(C21C)>} | poly(1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylicacid-co-2,3-bis(oxiran-2-yl)pent-2-ene-1,5-diol) | vitrimer |
[*]C(O)COC(=O)C1C(C)C2CC2C1C(=O)OCC(O)C([*])C1CC1C(C)=O | {<C(O)COC(=O)C1C(C)C2CC2C1C(=O)OCC(O)C(C1CC1C(C)=O)>} | poly(4-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-1-[2-[bis(oxiran-2-yl)methyl]cyclopropyl]ethanone) | vitrimer |
[*]=C(C)CC(O)COC(=O)C1C(C(=O)OCC(O)C(=[*])C=CC)CC2CC21C | {<=C(C)CC(O)COC(=O)C1C(CC2CC21C)C(=O)OCC(O)C(C=CC)=>} | poly(1-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-2-[2-methyl-1-(oxiran-2-yl)hexa-2,4-dien-3-yl]oxirane) | vitrimer |
[*]OC(=O)NC1CCC(NC(=O)Oc2nc([*])c(C)c(=NCc3csc(=N)s3)s2)CC1 | {<OC(=O)NC1CCC(CC1)NC(=O)Oc2nc(c(C)c(=NCc3csc(=N)s3)s2)>} | poly(1,4-diisocyanatocyclohexane-co-6-[(2-imino-1,3-dithiol-4-yl)methylimino]-5-methyl-1,3-thiazine-2,4-diol) | polyurethane |
[*]C(C)CC(O)CCNC(=N)C1(NCC(O)C([*])(C#C)CC)CC2(C)NC1C1(C)N=C(C)NC21 | {<C(C)CC(O)CCNC(=N)C1(CC2(C)NC1C1(C)N=C(C)NC21)NCC(O)C(C#C)(CC)>} | poly(8-amino-1,4,6-trimethyl-3,5,10-triazatricyclo[5.2.1.02,6]dec-4-ene-8-carboximidamide-co-2-[3-ethyl-2-methyl-1-(oxiran-2-yl)pent-4-yn-3-yl]oxirane) | epoxy |
[*]C1=NOC2C(C(O)COC(=O)C3CCC4C(C(=O)OCC([*])O)C34C)C12C | {<C1=NOC2C(C12C)C(O)COC(=O)C3CCC4C(C34C)C(=O)OCC(O)>} | poly(1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylicacid-co-5-methyl-4,6-bis(oxiran-2-yl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene) | vitrimer |
[*]C(=O)OCC(O)C#CC1COC1(C)C(O)COC(=O)C1C([*])C2CC2C1C | {<C(=O)OCC(O)C#CC1COC1(C)C(O)COC(=O)C1C(C2CC2C1C)>} | poly(4-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-2-methyl-2-(oxiran-2-yl)-3-[2-(oxiran-2-yl)ethynyl]oxetane) | vitrimer |
[*]c1sc(C(O)COC(=O)C2CC3C(C)C3C2C(=O)OCC([*])O)cc1OC | {<c1sc(cc1OC)C(O)COC(=O)C2CC3C(C)C3C2C(=O)OCC(O)>} | poly(6-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-2-[3-methoxy-5-(oxiran-2-yl)thiophen-2-yl]oxirane) | vitrimer |
[*]CC(CC([*])N(C)C(C)=O)[Si](C)(C)C | {$CC([Si](C)(C)C)CC(N(C)C(C)=O)$} | poly(N-ethenyl-N-methyl-ethanamide-co-ethenyl(trimethyl)silane) | polyolefin |
[*]C(=O)OCC(O)C=CC(=CC(=N)N)C(O)COC(=O)C1C([*])CC2C(C)C21 | {<C(=O)OCC(O)C=CC(=CC(=N)N)C(O)COC(=O)C1C(CC2C(C)C21)>} | poly(6-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-3,5-bis(oxiran-2-yl)penta-2,4-dienimidamide) | vitrimer |
[*]CC(=O)NC1C2CCC(C)(NC2CNC(=O)C2NCCC3([*])CC2(C)C3)C1N=CN | {<CC(=O)NC1C2CCC(C)(C1N=CN)NC2CNC(=O)C2NCCC3(CC2(C)C3)>} | poly(6-(carboxymethyl)-1-methyl-3-azabicyclo[4.1.1]octane-2-carboxylicacid-co-N'-[5-amino-3-(aminomethyl)-1-methyl-2-azabicyclo[2.2.2]octan-6-yl]methanimidamide) | polyamide |
[*]C(=O)OC1C2CC(C(C)C(=O)OC3CC(N(C)C)C4C3N4C([*])CC)CC(=O)OC1CN2 | {<C(=O)OC1C2CC(CC(=O)OC1CN2)C(C)C(=O)OC3CC(N(C)C)C4C3N4C(CC)>} | poly(2-[2-(dimethylamino)-4-hydroxy-6-azabicyclo[3.1.0]hexan-6-yl]butanoicacid-co-2-(10-hydroxy-3-oxo-2-oxa-8-azabicyclo[5.2.1]decan-5-yl)propanoicacid) | polyester |
[*]C1CC(N2C(=O)C3C4C=CC(C3C2=O)C2C4=CCC3C(=O)N([*])C(=O)C32)C2C1(C#N)NC(C)(C#N)C2(C)C | {<C1CC(C2C1(C#N)NC(C)(C#N)C2(C)C)N2C(=O)C3C4C=CC(C3C2=O)C2C4=CCC3C(=O)N(C(=O)C32)>} | poly(5,14-dioxapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone-co-4,6-diamino-2,3,3-trimethyl-3a,4,5,6-tetrahydro-1H-cyclopenta[b]pyrrole-2,6a-dicarbonitrile) | polyimide |
[*]CC(C)CCNCC(O)C1=C(C(C)C(O)CCNC(C)(CO)c2nn([*])nc2C)C(C)OC1 | {<CC(C)CCNCC(O)C1=C(C(C)OC1)C(C)C(O)CCNC(C)(CO)c2nn(nc2C)>} | poly(2-amino-2-[2-(4-amino-2-methylbutyl)-5-methyltriazol-4-yl]propan-1-ol-co-2-methyl-4-(oxiran-2-yl)-3-[1-(oxiran-2-yl)ethyl]-2,5-dihydrofuran) | epoxy |
[*]CC(=O)N1C2COCCC1C1(C)CCC(CCCNC(=O)C3OC4(C)CC3CNC4[*])C21 | {<CC(=O)N1C2COCCC1C1(C)CCC(C21)CCCNC(=O)C3OC4(C)CC3CNC4>} | poly(4-(carboxymethyl)-5-methyl-6-oxa-3-azabicyclo[3.2.1]octane-7-carboxylicacid-co-3-(2-methyl-9-oxa-12-azatricyclo[5.4.1.02,6]dodecan-5-yl)propan-1-amine) | polyamide |
[*]C(=O)OCC(O)C1COCOC1CC(O)COC(=O)C1C2C=CC([*])C21C | {<C(=O)OCC(O)C1COCOC1CC(O)COC(=O)C1C2C=CC(C21C)>} | poly(1-methylbicyclo[3.1.0]hex-3-ene-2,6-dicarboxylicacid-co-5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)-1,3-dioxane) | vitrimer |
[*]NCC(O)C1=NC2CC(CC(O)CCNC(C)(C)C([*])C(=N)N3CC(C(C)CC)C3)(C2)O1 | {<NCC(O)C1=NC2CC(C2)(O1)CC(O)CCNC(C)(C)C(C(=N)N3CC(C(C)CC)C3)>} | poly(1-(3-butan-2-ylazetidin-1-yl)-1-imino-3-methylbutane-2,3-diamine-co-3-(oxiran-2-yl)-1-(oxiran-2-ylmethyl)-2-oxa-4-azabicyclo[3.1.1]hept-3-ene) | epoxy |
[*]C(=O)Oc1c(-c2cscn2)cn(C)c1C(=O)C(=O)OC(C([*])OC(C)=O)C1CNC(=O)O1 | {<C(=O)Oc1c(c2cscn2)cn(C)c1C(=O)C(=O)OC(C1CNC(=O)O1)C(OC(C)=O)>} | poly(2-acetyloxy-3-hydroxy-3-(2-oxo-1,3-oxazolidin-5-yl)propanoicacid-co-2-[3-hydroxy-1-methyl-4-(1,3-thiazol-4-yl)pyrrol-2-yl]-2-oxoaceticacid) | polyester |
[*]C(O)CCNC(=N)C1(CNCC(O)C([*])(CC#C)OCC#N)C2CC1(C)CC(C#N)=C2C | {<C(O)CCNC(=N)C1(C2CC1(C)CC(C#N)=C2C)CNCC(O)C(CC#C)(OCC#N)>} | poly(6-(aminomethyl)-3-cyano-2,5-dimethylbicyclo[3.1.1]hept-2-ene-6-carboximidamide-co-2-[1,1-bis(oxiran-2-yl)but-3-ynoxy]acetonitrile) | epoxy |
[*]CNCC(O)C1NS(=O)(=O)C1(C)CC(O)CCNC1C(CO)C1C([*])C#CC(=N)NCC | {<CNCC(O)C1NS(=O)(=O)C1(C)CC(O)CCNC1C(CO)C1C(C#CC(=N)NCC)>} | poly(5-amino-4-[2-amino-3-(hydroxymethyl)cyclopropyl]-N-ethylpent-2-ynimidamide-co-4-methyl-3-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)thiazetidine1,1-dioxide) | epoxy |
[*]C(O)COC(=O)C1C2CC(C(=O)OCC(O)C3=NN=CC3([*])CC)C1C2C | {<C(O)COC(=O)C1C2CC(C1C2C)C(=O)OCC(O)C3=NN=CC3(CC)>} | poly(5-methylbicyclo[2.1.1]hexane-2,6-dicarboxylicacid-co-4-ethyl-3,4-bis(oxiran-2-yl)pyrazole) | vitrimer |
[*]C(=O)OCC(O)C1(C(O)COC(=O)C2C([*])C3CC3C2C)C2CC2CN1C | {<C(=O)OCC(O)C1(C2CC2CN1C)C(O)COC(=O)C2C(C3CC3C2C)>} | poly(4-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-3-methyl-2,2-bis(oxiran-2-yl)-3-azabicyclo[3.1.0]hexane) | vitrimer |
[*]C(O)CNC1CC(O)C(NCCC(O)C(O)C2CCC2([*])CC)C(C)(O)C1C(C)C(O)CO | {<C(O)CNC1CC(O)C(C(C)(O)C1C(C)C(O)CO)NCCC(O)C(O)C2CCC2(CC)>} | poly(2,5-diamino-6-(3,4-dihydroxybutan-2-yl)-1-methylcyclohexane-1,3-diol-co-[2-ethyl-2-(oxiran-2-yl)cyclobutyl]-(oxiran-2-yl)methanol) | epoxy |
[*]N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C1COC(C)C1([*])C1N=C(C#C)NC1(C)C)C3=O | {<N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C3=O)C1COC(C)C1(C1N=C(C#C)NC1(C)C)>} | poly(6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone-co-3-(2-ethynyl-5,5-dimethyl-1,4-dihydroimidazol-4-yl)-2-methyloxolane-3,4-diamine) | polyimide |
[*]CC(O)COC(=O)C1C2CC2C(C)C1C(=O)OCC(O)C(=O)C([*])C(C)C | {<CC(O)COC(=O)C1C2CC2C(C)C1C(=O)OCC(O)C(=O)C(C(C)C)>} | poly(4-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-3-methyl-1-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)butan-1-one) | vitrimer |
[*]C(=O)OCC(O)C(=C1CN=CN1O)C(O)COC(=O)C1C([*])CC2(C)CC12 | {<C(=O)OCC(O)C(=C1CN=CN1O)C(O)COC(=O)C1C(CC2(C)CC12)>} | poly(5-methylbicyclo[3.1.0]hexane-2,3-dicarboxylicacid-co-5-[bis(oxiran-2-yl)methylidene]-1-hydroxy-4H-imidazole) | vitrimer |
[*]CC(O)COC(=O)C1C2CC(C2C)C1C(=O)OCC(O)C(C)N([*])N=CC | {<CC(O)COC(=O)C1C2CC(C2C)C1C(=O)OCC(O)C(C)N(N=CC)>} | poly(5-methylbicyclo[2.1.1]hexane-2,3-dicarboxylicacid-co-N-(ethylideneamino)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)ethanamine) | vitrimer |
[*]CC(C)C(O)CCNc1noc(N(C)CC#N)c1C(CNCC(O)C([*])C=CC)C(C)C | {<CC(C)C(O)CCNc1noc(N(C)CC#N)c1C(C(C)C)CNCC(O)C(C=CC)>} | poly(2-[[3-amino-4-(1-amino-3-methylbutan-2-yl)-1,2-oxazol-5-yl]-methylamino]acetonitrile-co-2-[4-(oxiran-2-yl)hept-5-en-2-yl]oxirane) | epoxy |
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ChemFuse Datasets
This repository contains the datasets used for training, evaluation, and downstream tasks in the ChemFuse.
Unlabelled Polymer Dataset
The polymer dataset contains unlabelled polymer entries with three different identifiers: PSMILES, BigSMILES, and polymer names.
Downstream Property Datasets
Each downstream dataset includes property labels along with the corresponding learned embeddings.
Polymers
- Glass transition temperature — with PSMILES and BigSMILES embeddings
Molecules
- Melting point — with SMILES and HNMR embeddings
- Solubility (AqSolDB) — with SMILES and HNMR embeddings
- Quantitative estimation of drug-likeness — with SMILES and HNMR embeddings
Metal–Organic Frameworks (MOFs)
- Methane deliverable capacity — with MOFid and pXRD embeddings
- Largest cavity diameter — with MOFid and pXRD embeddings
Citation
If you use these datasets in your work, please cite:
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Models trained or fine-tuned on jablonkagroup/ChemFuse