SMILES
string | MUV-846
int64 | split
string | SMILES_ORIGINAL
string | IMAGE
image | SELFIES
string | InChIKey
string | IUPAC
string | template_original
string | template
string |
|---|---|---|---|---|---|---|---|---|---|
Cc1ccc(NC(=O)C2CCCNC2=O)nc1 | 0 | train | Cc1ccc(NC(=O)C2CCCNC2=O)nc1 | [C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O][N][=C][Ring1][S] | FDMPSOUTXBWOIP-UHFFFAOYSA-N | N-(5-methylpyridin-2-yl)-2-oxopiperidine-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(NC(=O)C2CCCNC2=O)nc1 |
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Cc1noc(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 | 0 | train | Cc1noc(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | DJEAOOCVJXJGRE-UHFFFAOYSA-N | 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1noc(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 |
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CCOc1ccc(C(=O)N2CCSC2=S)cc1 | 0 | train | CCOc1ccc(C(=O)N2CCSC2=S)cc1 | [C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][S][C][Ring1][Branch1][=S][C][=C][Ring1][=C] | QJWNLNJCCBRMTD-UHFFFAOYSA-N | (4-ethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1ccc(C(=O)N2CCSC2=S)cc1 |
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CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCCN4CCC(C)CC4)n3)c(=O)oc12 | 0 | train | CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCCN4CCC(C)CC4)n3)c(=O)oc12 | [C][C][O][C][=C][C][=C][C][C][=C][Branch2][Ring2][=Branch1][C][=C][S][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring2][C][=Ring2][Ring1][=C] | XTOPLOHUJLXIMT-UHFFFAOYSA-N | N'-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]butanediamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCCN4CCC(C)CC4)n3)c(=O)oc12 |
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Nc1nonc1C(=O)NCCc1ccccc1 | 0 | train | Nc1nonc1C(=O)NCCc1ccccc1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | KIIUFXBAFXHMJP-UHFFFAOYSA-N | 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Nc1nonc1C(=O)NCCc1ccccc1 |
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Cc1ncsc1CCSc1n[nH]c(=O)n1-c1ccccc1 | 0 | train | Cc1ncsc1CCSc1n[nH]c(=O)n1-c1ccccc1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CNGXNMWOBWONQC-UHFFFAOYSA-N | 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ncsc1CCSc1n[nH]c(=O)n1-c1ccccc1 |
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Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 | 0 | train | Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][N][=N][NH1][N][=Ring1][Branch1][N][=Ring2][Ring1][Ring2] | QQASLULXJUJQOE-UHFFFAOYSA-N | 5-[2-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]-2H-tetrazole | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1 |
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COc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21 | 0 | train | COc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | HAYUDLNFDRQBAK-UHFFFAOYSA-N | (2-methoxyphenyl)-phenothiazin-10-ylmethanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21 |
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CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O | 0 | train | CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | OFOXEZBFMXPYHP-UHFFFAOYSA-N | 2-[benzyl(methylsulfonyl)amino]-N-(2-methylsulfanylphenyl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O |
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CC(=O)c1cccc(NC(=O)c2ccoc2C)c1 | 0 | train | CC(=O)c1cccc(NC(=O)c2ccoc2C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][#C] | QYYPDECVQIRJMC-UHFFFAOYSA-N | N-(3-acetylphenyl)-2-methylfuran-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC(=O)c1cccc(NC(=O)c2ccoc2C)c1 |
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CC(=O)Nc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)cc1 | 0 | train | CC(=O)Nc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][Branch1][C][C][=N][/N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | PRXZGLNQUFDJFZ-LDADJPATSA-N | N-[4-[(E)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC(=O)Nc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)cc1 |
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Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2-c2ccccc2)n1 | 0 | train | Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2-c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring2][=C][S][C][C][=N][N][=C][Branch2][Ring1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring2][Ring2] | VEMRIPCBNWHXBO-UHFFFAOYSA-N | 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2-c2ccccc2)n1 |
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O=C(Nc1ncccn1)C1CCCCC1 | 0 | train | O=C(Nc1ncccn1)C1CCCCC1 | [O][=C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | UZPHVWBRUGTIIT-UHFFFAOYSA-N | N-pyrimidin-2-ylcyclohexanecarboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Nc1ncccn1)C1CCCCC1 |
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O=C(NCc1ccc(-n2cccc2)cc1)c1cccc(F)c1 | 0 | train | O=C(NCc1ccc(-n2cccc2)cc1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | OOHSUFBHBINJPJ-UHFFFAOYSA-N | 3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NCc1ccc(-n2cccc2)cc1)c1cccc(F)c1 |
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CCc1cc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2s1 | 0 | train | CCc1cc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2s1 | [C][C][C][=C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][S][C][=Ring2][Ring1][Ring1][S][Ring2][Ring1][=Branch1] | SNMOBSPLEGOCQF-UHFFFAOYSA-N | (2-ethylthieno[2,3-b]thiophen-5-yl)-(4-phenylpiperazin-1-yl)methanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCc1cc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2s1 |
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CCOC(=O)c1sc(/N=C/Nc2nc(C)c(C(=O)OCC)s2)nc1C | 0 | train | CCOC(=O)c1sc(/N=C/Nc2nc(C)c(C(=O)OCC)s2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][#Branch1][/N][=C][/N][C][=N][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][S][Ring1][O][=N][C][=Ring2][Ring1][Ring1][C] | SXGHECLQCAYASV-UHFFFAOYSA-N | ethyl2-[[(E)-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)iminomethyl]amino]-4-methyl-1,3-thiazole-5-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)c1sc(/N=C/Nc2nc(C)c(C(=O)OCC)s2)nc1C |
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O=C(Nc1ccc2cn[nH]c2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 | 0 | train | O=C(Nc1ccc2cn[nH]c2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][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] | PXFTVSAPUXRGKO-UHFFFAOYSA-N | N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Nc1ccc2cn[nH]c2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 |
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Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4cccnc24)C3=O)cc1 | 0 | train | Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4cccnc24)C3=O)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][N] | CLVBVQJILIPRCB-UHFFFAOYSA-N | 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4cccnc24)C3=O)cc1 |
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Cc1noc(C)c1C(=O)NCCc1ccc(Cl)cc1 | 0 | train | Cc1noc(C)c1C(=O)NCCc1ccc(Cl)cc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | OQGWSDWUSRYBLX-UHFFFAOYSA-N | N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1noc(C)c1C(=O)NCCc1ccc(Cl)cc1 |
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CC(NC(=O)c1ccc(=O)oc1)c1ccccc1 | 0 | train | CC(NC(=O)c1ccc(=O)oc1)c1ccccc1 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | QUTXSERKGMGPSH-UHFFFAOYSA-N | 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC(NC(=O)c1ccc(=O)oc1)c1ccccc1 |
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CN(CC(=O)O/N=C(\N)c1ccccn1)S(=O)(=O)c1ccc(Br)cc1 | 0 | train | CN(CC(=O)O/N=C(\N)c1ccccn1)S(=O)(=O)c1ccc(Br)cc1 | [C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][O][/N][=C][Branch1][C][\N][C][=C][C][=C][C][=N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | HAYZSJOHQMVNNK-UHFFFAOYSA-N | [(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-[(4-bromophenyl)sulfonyl-methylamino]acetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CN(CC(=O)O/N=C(\N)c1ccccn1)S(=O)(=O)c1ccc(Br)cc1 |
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O=C(NC1CCCCC1)Sc1ccc(Cl)cc1 | 0 | train | O=C(NC1CCCCC1)Sc1ccc(Cl)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | PBLJMEYPQQDGOA-UHFFFAOYSA-N | S-(4-chlorophenyl) N-cyclohexylcarbamothioate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NC1CCCCC1)Sc1ccc(Cl)cc1 |
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CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CC)cc2)CC1 | 0 | train | CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][C][Ring1][P] | OIHQJOOPJMGLNC-UHFFFAOYSA-N | ethyl 1-(4-ethylphenyl)sulfonylpiperidine-4-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CC)cc2)CC1 |
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O=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1 | 0 | train | O=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | HPOIRMBDKLZAMR-UHFFFAOYSA-N | 1-(4-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1 |
|
O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1 | 0 | train | O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | SIJCPHYOQRJORU-UHFFFAOYSA-N | 1-phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1 |
|
Cc1cc(N2CCC(N(C)C3CCCC3)CC2)[nH]c2cc(=O)ccc1-2 | 0 | train | Cc1cc(N2CCC(N(C)C3CCCC3)CC2)[nH]c2cc(=O)ccc1-2 | [C][C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][Branch1][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][NH1][C][=C][C][=Branch1][C][=O][C][=C][C][=Ring2][Ring1][Branch2][Ring1][#Branch1] | INFOVAUGUMBKSM-UHFFFAOYSA-N | 2-[4-[cyclopentyl(methyl)amino]piperidin-1-yl]-4-methyl-1H-quinolin-7-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(N2CCC(N(C)C3CCCC3)CC2)[nH]c2cc(=O)ccc1-2 |
|
S=c1[nH]nc(-c2ccco2)n1/N=C/c1cccs1 | 0 | train | S=c1[nH]nc(-c2ccco2)n1/N=C/c1cccs1 | [S][=C][NH1][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][/N][=C][/C][=C][C][=C][S][Ring1][Branch1] | ZUMZEKCPICIONL-KPKJPENVSA-N | 3-(furan-2-yl)-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: S=c1[nH]nc(-c2ccco2)n1/N=C/c1cccs1 |
|
Cc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)s1 | 0 | train | Cc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)s1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=N][/N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][C][Ring1][#Branch2][=S][S][Ring2][Ring1][C] | CFPHADXBYSDMLD-NTUHNPAUSA-N | 3-(furan-2-yl)-4-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(/C=N/n2c(-c3ccco3)n[nH]c2=S)s1 |
|
Cc1nc2scc(-c3ccccc3)c2c(=O)o1 | 0 | train | Cc1nc2scc(-c3ccccc3)c2c(=O)o1 | [C][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][O][Ring1][S] | JKYABVPVYWRLLP-UHFFFAOYSA-N | 2-methyl-5-phenylthieno[2,3-d][1,3]oxazin-4-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1nc2scc(-c3ccccc3)c2c(=O)o1 |
|
CCOC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 | 0 | train | CCOC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | DYKJERXKDLJEJY-UHFFFAOYSA-N | ethyl 1,4-bis(benzenesulfonyl)piperazine-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 |
|
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 | 0 | train | CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=C][Ring1][S] | CGUYJWPUWLHQNB-UHFFFAOYSA-N | N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 |
|
Cc1cc(=O)oc2cc(OC(C)C(=O)O)c(Cl)cc12 | 0 | train | Cc1cc(=O)oc2cc(OC(C)C(=O)O)c(Cl)cc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Ring1][=N] | UBJGTVXAFAIJDS-UHFFFAOYSA-N | 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoicacid | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(=O)oc2cc(OC(C)C(=O)O)c(Cl)cc12 |
|
CCCNc1c(NC(C)=O)c(=O)oc2ccccc12 | 0 | train | CCCNc1c(NC(C)=O)c(=O)oc2ccccc12 | [C][C][C][N][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] | PAUCMBDAYBRFKH-UHFFFAOYSA-N | N-[2-oxo-4-(propylamino)chromen-3-yl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCNc1c(NC(C)=O)c(=O)oc2ccccc12 |
|
CCCCC(CC)CNC(=O)c1ncn[nH]1 | 0 | train | CCCCC(CC)CNC(=O)c1ncn[nH]1 | [C][C][C][C][C][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=N][NH1][Ring1][Branch1] | ALUJDKSOXSVEFQ-UHFFFAOYSA-N | N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCCC(CC)CNC(=O)c1ncn[nH]1 |
|
COc1ccccc1N/N=C(\C(C)=O)C(=S)Nc1ccccc1 | 0 | train | COc1ccccc1N/N=C(\C(C)=O)C(=S)Nc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][/N][=C][Branch1][=Branch1][\C][Branch1][C][C][=O][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | GHKXGQLUNORSBI-CAPFRKAQSA-N | (2E)-2-[(2-methoxyphenyl)hydrazinylidene]-3-oxo-N-phenylbutanethioamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccccc1N/N=C(\C(C)=O)C(=S)Nc1ccccc1 |
|
COc1ccc(N2C(=O)CC(NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 | 0 | train | COc1ccc(N2C(=O)CC(NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][N][C][C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2] | KWZWAXKMKFYXPO-UHFFFAOYSA-N | 1-(4-methoxyphenyl)-3-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrrolidine-2,5-dione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(N2C(=O)CC(NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1 |
|
O=S(=O)(Cc1ccccc1Cl)Nc1ccccn1 | 0 | train | O=S(=O)(Cc1ccccc1Cl)Nc1ccccn1 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | QVNABUCEGVXEMC-UHFFFAOYSA-N | 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=S(=O)(Cc1ccccc1Cl)Nc1ccccn1 |
|
C=CCOn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 | 0 | train | C=CCOn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 | [C][=C][C][O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | DWAJIUMVUHRJGT-UHFFFAOYSA-N | 4-oxido-3-phenyl-1-prop-2-enoxyquinoxalin-4-ium-2-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: C=CCOn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 |
|
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccncc1 | 0 | train | O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccncc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=C][S][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | WWHAQTXUFGXWME-UHFFFAOYSA-N | N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccncc1 |
|
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1 | 0 | train | Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | IZUMSURANMCBGG-UHFFFAOYSA-N | phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1 |
|
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1 | 0 | train | CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N] | BGXXSHSAPUYKKL-UHFFFAOYSA-N | ethyl 5-methyl-2-oxo-1-phenyl-3H-pyrrole-4-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1 |
|
Cn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 | 0 | train | Cn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | SOXIRJNQWGKXTK-UHFFFAOYSA-N | N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-3-yl)sulfanylacetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 |
|
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1 | 0 | train | C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1 | [C][=C][C][N][C][Branch2][Ring1][=Branch2][S][C][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Ring1][=Branch2][C][=N][N][=C][Ring2][Ring1][Ring1][C][=C][C][=N][C][=C][Ring1][=Branch1] | RYRORMLYNUWPPL-UHFFFAOYSA-N | 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1 |
|
Cc1ccc(C(=O)C(C)N2C(=O)NC(C)(c3ccccc3)C2=O)cc1 | 0 | train | Cc1ccc(C(=O)C(C)N2C(=O)NC(C)(c3ccccc3)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch2] | YLQQKBCYVWKSGF-UHFFFAOYSA-N | 5-methyl-3-[1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(C(=O)C(C)N2C(=O)NC(C)(c3ccccc3)C2=O)cc1 |
|
Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(CC(C)C)C(=O)NCC2CCCO2)cc1 | 0 | train | Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(CC(C)C)C(=O)NCC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Branch1][Ring2][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring2][Ring2] | YOCBPTWURWMJAK-UHFFFAOYSA-N | 2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(CC(C)C)C(=O)NCC2CCCO2)cc1 |
|
Cc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)no1 | 0 | train | Cc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)no1 | [C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=N][O][Ring2][Ring1][=Branch1] | AGFPMOLONYLWHZ-UHFFFAOYSA-N | 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)no1 |
|
CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cccc(F)c1 | 0 | train | CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cccc(F)c1 | [C][C][O][C][=Branch1][C][=O][/C][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | RDUWJGPIUSVVRO-AUWJEWJLSA-N | ethyl (2Z)-2-[3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cccc(F)c1 |
|
Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)cnn1C | 0 | train | Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)cnn1C | [C][C][=C][Branch2][Ring1][#Branch1][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Ring1][C] | JQGTVIKHEIJVAZ-GIDUJCDVSA-N | N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)cnn1C |
|
CCOC(=O)c1oc2ccc(/C=N/O)c(Cl)c2c1C | 0 | train | CCOC(=O)c1oc2ccc(/C=N/O)c(Cl)c2c1C | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring2][/C][=N][/O][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Ring1][=N][C] | UGYRFBUDURQYLG-GIDUJCDVSA-N | ethyl 4-chloro-5-[(E)-hydroxyiminomethyl]-3-methyl-1-benzofuran-2-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)c1oc2ccc(/C=N/O)c(Cl)c2c1C |
|
Cn1c(Sc2ccc(Cl)cc2)c(C=O)c2ccccc21 | 0 | train | Cn1c(Sc2ccc(Cl)cc2)c(C=O)c2ccccc21 | [C][N][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][Ring1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | YWJPKXRAUPCQFC-UHFFFAOYSA-N | 2-(4-chlorophenyl)sulfanyl-1-methylindole-3-carbaldehyde | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cn1c(Sc2ccc(Cl)cc2)c(C=O)c2ccccc21 |
|
Cc1csc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 | 0 | train | Cc1csc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | YHHBCFOHJHAQEO-UHFFFAOYSA-N | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1csc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 |
|
Cc1ccnc(NS(=O)(=O)c2cccs2)c1 | 0 | train | Cc1ccnc(NS(=O)(=O)c2cccs2)c1 | [C][C][=C][C][=N][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C] | XKYOIKLMBFWAPH-UHFFFAOYSA-N | N-(4-methylpyridin-2-yl)thiophene-2-sulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccnc(NS(=O)(=O)c2cccs2)c1 |
|
Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C | 0 | train | Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][Cl][C][=C][Ring1][O][C][=C][Ring2][Ring1][C][C] | ORXIIDGKDCBEGL-UHFFFAOYSA-N | 2-chloro-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C |
|
Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C#N)c1C | 0 | train | Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C#N)c1C | [C][C][S][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring1][Branch2][C] | ZZWVCROUGAQBFQ-UHFFFAOYSA-N | N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C#N)c1C |
|
COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 | 0 | train | COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][=C] | LEOQNLJDZSLECL-UHFFFAOYSA-N | 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 |
|
Cc1nc2ccccc2nc1OCc1ccccc1 | 0 | train | Cc1nc2ccccc2nc1OCc1ccccc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | RWYUCXXYVBFMEJ-UHFFFAOYSA-N | 2-methyl-3-phenylmethoxyquinoxaline | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1nc2ccccc2nc1OCc1ccccc1 |
|
CSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1 | 0 | train | CSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] | ZVFBLGBDGQPBLB-UHFFFAOYSA-N | N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1 |
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Cc1cccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)c1 | 0 | train | Cc1cccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][N][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][Ring1][=N][=O][=C][Ring2][Ring1][Ring2] | NHCLEZRHPXVWMV-UHFFFAOYSA-N | 1-(3-methylphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)c1 |
|
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1 | 0 | train | CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | WDMXVAQSOJAIOT-UHFFFAOYSA-N | N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-phenoxyacetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1 |
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Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C | 0 | train | Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch2][C][=Ring2][Ring1][O][C] | FEUMYZAQYLDEPS-UHFFFAOYSA-N | 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C |
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O=C(c1ccccc1)c1coc2c1C(=O)c1ccccc1C2=O | 0 | train | O=C(c1ccccc1)c1coc2c1C(=O)c1ccccc1C2=O | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | RIGQMNQRBFVSGV-UHFFFAOYSA-N | 3-benzoylbenzo[f][1]benzofuran-4,9-dione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(c1ccccc1)c1coc2c1C(=O)c1ccccc1C2=O |
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CC1=C(C(=O)OC(C)C)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N1 | 0 | train | CC1=C(C(=O)OC(C)C)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring2][Ring1][Branch2] | KNKSUPJXMOAWAC-UHFFFAOYSA-N | dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC1=C(C(=O)OC(C)C)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N1 |
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O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 | 0 | train | O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch2][Ring1][S][N][N][C][=C][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][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | PKWGFGRQRBAQMM-UHFFFAOYSA-N | 3,4-dichloro-N'-(2,6-dimorpholin-4-ylpyrimidin-4-yl)benzohydrazide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 |
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Cc1ccc2nc(SCC(=O)c3ccc(Cl)s3)[nH]c2c1 | 0 | train | Cc1ccc2nc(SCC(=O)c3ccc(Cl)s3)[nH]c2c1 | [C][C][=C][C][=C][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | DBRJYTJSEBJYMI-UHFFFAOYSA-N | 1-(5-chlorothiophen-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc2nc(SCC(=O)c3ccc(Cl)s3)[nH]c2c1 |
|
Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 | 0 | train | Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N] | PQKKAHBPYRVGDV-UHFFFAOYSA-N | 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 |
|
COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl | 0 | train | COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl | [C][O][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][C][=C][Ring2][Ring1][Ring1][Cl] | LFQYZLJIGOUIKM-UHFFFAOYSA-N | 4-chloro-3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl |
|
Cc1cc(OC(=O)N2CCOCC2)cc(C)c1Cl | 0 | train | Cc1cc(OC(=O)N2CCOCC2)cc(C)c1Cl | [C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring1][S][Cl] | HOCAVOXOZWZNRN-UHFFFAOYSA-N | (4-chloro-3,5-dimethylphenyl)morpholine-4-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cc(OC(=O)N2CCOCC2)cc(C)c1Cl |
|
COc1ccc(NC(=O)C(CC(=O)O)Cc2ccc(C)cc2)cc1 | 0 | train | COc1ccc(NC(=O)C(CC(=O)O)Cc2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | AXAZYKMGTNMXOZ-UHFFFAOYSA-N | 4-hydroxy-N-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-4-oxobutanamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: COc1ccc(NC(=O)C(CC(=O)O)Cc2ccc(C)cc2)cc1 |
|
O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Br)cc1 | 0 | train | O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Br)cc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | CSCSSBBNBIBLEW-UHFFFAOYSA-N | 2-[3-(4-bromophenoxy)-2-hydroxypropyl]-1,1-dioxo-1,2-benzothiazol-3-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Br)cc1 |
|
CCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21 | 0 | train | CCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][Branch1] | LDYFIFVFXZCNQE-UHFFFAOYSA-N | 6-ethyl-2,3-dimethoxyindolo[3,2-b]quinoxaline | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21 |
|
Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 | 0 | train | Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | OMLIGEGEEIZZAX-UHFFFAOYSA-N | 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 |
|
O=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1c1ccccc1 | 0 | train | O=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1c1ccccc1 | [O][=C][C][C][C][=C][C][Branch1][N][C][Ring1][Branch1][=C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | VGVPAIMZXLCLBI-UHFFFAOYSA-N | 10-cyclohexylidene-4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C1C2C3C=CC(C3=C3CCCCC3)C2C(=O)N1c1ccccc1 |
|
CCOC(=O)C1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 | 0 | train | CCOC(=O)C1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][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][C][Ring2][Ring1][Ring1] | SMGPTHZCZVFMPQ-UHFFFAOYSA-N | ethyl 1-[(3,4-dimethoxyphenyl)carbamoyl]piperidine-4-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)C1CCN(C(=O)Nc2ccc(OC)c(OC)c2)CC1 |
|
CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C | 0 | train | CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C] | QQDPRGVPYOPPBA-UHFFFAOYSA-N | ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C |
|
Cc1nn(C)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 | 0 | train | Cc1nn(C)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | ORHFBEDALJEIIX-GIDUJCDVSA-N | N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1nn(C)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 |
|
O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1 | 0 | train | O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | DCTPIPAJHXUMMJ-UHFFFAOYSA-N | [1-(benzenesulfonyl)piperidin-4-yl]-morpholin-4-ylmethanone | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCOCC1 |
|
Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cc1 | 0 | train | Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch2] | OWHHWMUAYBIQPR-UHFFFAOYSA-N | N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cc1 |
|
Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1 | 0 | train | Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][O][C][C][O][Ring1][O][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][S] | OBOJDHCVOMKVGH-UHFFFAOYSA-N | 4-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1 |
|
O=C(NN=C1CCCCCCCCCCC1)c1ccncc1 | 0 | train | O=C(NN=C1CCCCCCCCCCC1)c1ccncc1 | [O][=C][Branch1][P][N][N][=C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | GRKRTMXIASILAB-UHFFFAOYSA-N | N-(cyclododecylideneamino)pyridine-4-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NN=C1CCCCCCCCCCC1)c1ccncc1 |
|
CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 | 0 | train | CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | HZIIOUPWNIWTOC-UHFFFAOYSA-N | N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 |
|
NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O | 0 | train | NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/S][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=O] | QEZIACMIAPSRGW-YBFXNURJSA-N | 2-[2-[(E)-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O |
|
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 | 0 | train | Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 | [C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][#Branch1] | ULVXDYPPPUOAAO-UHFFFAOYSA-N | N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 |
|
CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2 | 0 | train | CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2 | [C][C][=Branch1][C][=O][N][/N][=C][Branch1][C][\C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | KILAMDRZWNVWOQ-MDWZMJQESA-N | N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Suggest a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2 |
|
CCCCCNC(=O)CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1CC | 0 | train | CCCCCNC(=O)CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1CC | [C][C][C][C][C][N][C][=Branch1][C][=O][C][S][C][=N][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][#C][C][C] | UMQKFDKEHKPQAG-WJDWOHSUSA-N | 2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-ethyl-5-oxoimidazol-2-yl]sulfanyl-N-pentylacetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Design a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCCCCNC(=O)CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1CC |
|
CN1CCC(NC(=O)c2ccncc2)CC1 | 0 | train | CN1CCC(NC(=O)c2ccncc2)CC1 | [C][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | QTYDFDDKMSOBOZ-UHFFFAOYSA-N | N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Create a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CN1CCC(NC(=O)c2ccncc2)CC1 |
|
CC(C)(C)NS(=O)(=O)c1ccc(-c2csnn2)s1 | 0 | train | CC(C)(C)NS(=O)(=O)c1ccc(-c2csnn2)s1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][S][Ring1][#Branch2] | NDDOEQWJQPJDCA-UHFFFAOYSA-N | N-tert-butyl-5-(thiadiazol-4-yl)thiophene-2-sulfonamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CC(C)(C)NS(=O)(=O)c1ccc(-c2csnn2)s1 |
|
CCOc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OCC)cc1S(=O)(=O)N1CCCCC1 | 0 | train | CCOc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OCC)cc1S(=O)(=O)N1CCCCC1 | [C][C][O][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C][=C][Branch1][Ring2][O][C][C][C][=C][Ring2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | HKMWCEYXAPXTGF-UHFFFAOYSA-N | 2-[1-(2,5-diethoxy-4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Propose a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCOc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OCC)cc1S(=O)(=O)N1CCCCC1 |
|
Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 | 0 | train | Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N][=C][Ring2][Ring1][#Branch1] | GWVDOPHTEFABPT-UHFFFAOYSA-N | 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 |
|
O=C(NCc1ccccc1Cl)C1CCCO1 | 0 | train | O=C(NCc1ccccc1Cl)C1CCCO1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][C][O][Ring1][Branch1] | LPADWTQTRNUCDZ-UHFFFAOYSA-N | N-[(2-chlorophenyl)methyl]oxolane-2-carboxamide | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Invent a compound that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: O=C(NCc1ccccc1Cl)C1CCCO1 |
|
CCN(CC)c1ccc(/C=C2/C(=O)ON=C2C)cc1 | 0 | train | CCN(CC)c1ccc(/C=C2/C(=O)ON=C2C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=N][/C][=C][/C][=Branch1][C][=O][O][N][=C][Ring1][=Branch1][C][C][=C][Ring1][=C] | FANCHKKMSCVJOD-GXDHUFHOSA-N | (4E)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-1,2-oxazol-5-one | {#Create|Generate|Propose|Suggest|Design|Invent!} a {#molecule|compound!} that is {MUV-846#not &NULL}{MUV-846__names__noun} and report its {SMILES__description}.
Result: {SMILES#} | Generate a molecule that is not an inhibitor of factor XIa (FXIa) and report its SMILES.
Result: CCN(CC)c1ccc(/C=C2/C(=O)ON=C2C)cc1 |
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