can_smiles stringlengths 13 465 | inchi stringlengths 49 1.29k | inchikey stringlengths 27 27 | iupac stringlengths 25 1.08k ⌀ | prompt stringlengths 86 141 | completion stringlengths 12 1.65k | task_id stringclasses 4
values | task_type stringclasses 1
value | input_rep_type stringclasses 1
value | input_rep imagewidth (px) 300 300 | output_rep_type stringclasses 4
values | output_rep stringlengths 12 1.65k | qa_template stringclasses 6
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1 | BJGNCJDXODQBOB-ZETCQYMHSA-N | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | Convert the molecule in this image to its SMILES. Output only the SMILES representation, nothing else. | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | Convert the molecule in this image to its {output_rep_type}. | |
O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1 | BJGNCJDXODQBOB-ZETCQYMHSA-N | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | Extract the SELFIES from this molecular structure image: Please output the SELFIES representation only. Do not output anything else. | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=C][Branch1][C][O][C@@H1][C][S][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][Ring1][#C] | Extract the {output_rep_type} from this molecular structure image: | |
O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1 | BJGNCJDXODQBOB-ZETCQYMHSA-N | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | This image contains a molecule; give me its DeepSMILES. Give me only the DeepSMILES, no additional text. | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | O=CO)[C@@H]CSCcnccccO)cc6s9)))))))))=N5 | This image contains a molecule; give me its {output_rep_type}. | |
O=C(O)[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1 | BJGNCJDXODQBOB-ZETCQYMHSA-N | (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid | This image contains a molecule; give me its InChI. Give me only the InChI, no additional text. | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m0/s1 | This image contains a molecule; give me its {output_rep_type}. | |
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | OOYGSFOGFJDDHP-KMCOLRRFSA-N | (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid | Look at this molecular image and tell me its SMILES. Please output the SMILES representation only. Do not output anything else. | NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | Look at this molecular image and tell me its {output_rep_type}. | |
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | OOYGSFOGFJDDHP-KMCOLRRFSA-N | (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid | Extract the SELFIES from this molecular structure image: Please output the SELFIES representation only. Do not output anything else. | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@... | Extract the {output_rep_type} from this molecular structure image: | |
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | OOYGSFOGFJDDHP-KMCOLRRFSA-N | (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid | Look at this molecular image and tell me its DeepSMILES. Please output the DeepSMILES representation only. Do not output anything else. | NC[C@H]O[C@H]O[C@H][C@H]O)[C@@H]O[C@H]O[C@H]CO))[C@@H]O)[C@H]N)[C@H]6O))))))))[C@H]N)C[C@@H]6N))))))))[C@H]O)[C@@H]O)[C@@H]6O.O=S=O)O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | NC[C@H]O[C@H]O[C@H][C@H]O)[C@@H]O[C@H]O[C@H]CO))[C@@H]O)[C@H]N)[C@H]6O))))))))[C@H]N)C[C@@H]6N))))))))[C@H]O)[C@@H]O)[C@@H]6O.O=S=O)O)O | Look at this molecular image and tell me its {output_rep_type}. | |
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O | InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | OOYGSFOGFJDDHP-KMCOLRRFSA-N | (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid | What is the InChI of the molecule shown in this image? Return only the InChI representation. | InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1 | What is the {output_rep_type} of the molecule shown in this image? | |
O=C(O)C[C@H](O)CCCCCCCCCCCO | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | JJUKFGURSFBQSG-CYBMUJFWSA-N | (3R)-3,14-dihydroxytetradecanoic acid | What is the SMILES of the molecule shown in this image? Please output the SMILES representation only. Do not output anything else. | O=C(O)C[C@H](O)CCCCCCCCCCCO | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=C(O)C[C@H](O)CCCCCCCCCCCO | What is the {output_rep_type} of the molecule shown in this image? | |
O=C(O)C[C@H](O)CCCCCCCCCCCO | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | JJUKFGURSFBQSG-CYBMUJFWSA-N | (3R)-3,14-dihydroxytetradecanoic acid | Look at this molecular image and tell me its SELFIES. Return only the SELFIES representation. | [O][=C][Branch1][C][O][C][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=C][Branch1][C][O][C][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][O] | Look at this molecular image and tell me its {output_rep_type}. | |
O=C(O)C[C@H](O)CCCCCCCCCCCO | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | JJUKFGURSFBQSG-CYBMUJFWSA-N | (3R)-3,14-dihydroxytetradecanoic acid | Extract the DeepSMILES from this molecular structure image: Give me only the DeepSMILES, no additional text. | O=CO)C[C@H]O)CCCCCCCCCCCO | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | O=CO)C[C@H]O)CCCCCCCCCCCO | Extract the {output_rep_type} from this molecular structure image: | |
O=C(O)C[C@H](O)CCCCCCCCCCCO | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | JJUKFGURSFBQSG-CYBMUJFWSA-N | (3R)-3,14-dihydroxytetradecanoic acid | Convert the molecule in this image to its InChI. Return only the InChI representation. | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C14H28O4/c15-11-9-7-5-3-1-2-4-6-8-10-13(16)12-14(17)18/h13,15-16H,1-12H2,(H,17,18)/t13-/m1/s1 | Convert the molecule in this image to its {output_rep_type}. | |
COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F | InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17- | KGXUEPOHGFWQKF-ZCXUNETKSA-N | (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile | Convert the molecule in this image to its SMILES. Just provide the SMILES without any explanation. | COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F | Convert the molecule in this image to its {output_rep_type}. | |
COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F | InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17- | KGXUEPOHGFWQKF-ZCXUNETKSA-N | (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile | This image contains a molecule; give me its SELFIES. Just provide the SELFIES without any explanation. | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][S][/C][Ring1][Branch1][=C][Branch1][Ring1][/C][#N][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][S][/C][Ring1][Branch1][=C][Branch1][Ring1][/C][#N][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F] | This image contains a molecule; give me its {output_rep_type}. | |
COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F | InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17- | KGXUEPOHGFWQKF-ZCXUNETKSA-N | (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile | Extract the DeepSMILES from this molecular structure image: Give me only the DeepSMILES, no additional text. | COcccccc6NCCS/C5=C/C#N))ScccCF)F)F))ccc6F | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | COcccccc6NCCS/C5=C/C#N))ScccCF)F)F))ccc6F | Extract the {output_rep_type} from this molecular structure image: | |
COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F | InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17- | KGXUEPOHGFWQKF-ZCXUNETKSA-N | (2Z)-2-[2-fluoro-5-(trifluoromethyl)phenyl]sulfanyl-2-[3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]acetonitrile | What is the InChI of the molecule shown in this image? Return only the InChI representation. | InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17- | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C19H14F4N2OS2/c1-26-15-5-3-2-4-14(15)25-8-9-27-18(25)17(11-24)28-16-10-12(19(21,22)23)6-7-13(16)20/h2-7,10H,8-9H2,1H3/b18-17- | What is the {output_rep_type} of the molecule shown in this image? | |
COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1 | LZMRDTLRSDRUSU-SJORKVTESA-N | (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol | Convert the molecule in this image to its SMILES. Output only the SMILES representation, nothing else. | COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 | Convert the molecule in this image to its {output_rep_type}. | |
COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1 | LZMRDTLRSDRUSU-SJORKVTESA-N | (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol | What is the SELFIES of the molecule shown in this image? Return only the SELFIES representation. | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@][Branch1][C][O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][O][C@H1][Ring1][#C][Ring1][#Branch2][O][C][O][Ring1][=Branch2] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@][Branch1][C][O][C][=C][C][=C][Branch1][O][C][=C][Ring1][=Branch1][O][C@H1][Ring1][#C][Ring1][#Branch2][O][C][O][Ring1][=Branch2] | What is the {output_rep_type} of the molecule shown in this image? | |
COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1 | LZMRDTLRSDRUSU-SJORKVTESA-N | (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol | What is the DeepSMILES of the molecule shown in this image? Return only the DeepSMILES representation. | COcccccc6)OC[C@]O)cccccc6O[C@H]%139))))OCO5 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | COcccccc6)OC[C@]O)cccccc6O[C@H]%139))))OCO5 | What is the {output_rep_type} of the molecule shown in this image? | |
COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1 | LZMRDTLRSDRUSU-SJORKVTESA-N | (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-1-ol | This image contains a molecule; give me its InChI. Return only the InChI representation. | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1 | This image contains a molecule; give me its {output_rep_type}. | |
Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) | MEFQWPUMEMWTJP-UHFFFAOYSA-N | 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid | Look at this molecular image and tell me its SMILES. Output only the SMILES representation, nothing else. | Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl | Look at this molecular image and tell me its {output_rep_type}. | |
Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) | MEFQWPUMEMWTJP-UHFFFAOYSA-N | 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid | Extract the SELFIES from this molecular structure image: Output only the SELFIES representation, nothing else. | [N][C][=C][Branch1][C][Cl][C][Branch1][C][F][=N][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][=N][Cl] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [N][C][=C][Branch1][C][Cl][C][Branch1][C][F][=N][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][=N][Cl] | Extract the {output_rep_type} from this molecular structure image: | |
Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) | MEFQWPUMEMWTJP-UHFFFAOYSA-N | 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid | Convert the molecule in this image to its DeepSMILES. Just provide the DeepSMILES without any explanation. | NccCl)cF)ncOCC=O)O))))c6Cl | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | NccCl)cF)ncOCC=O)O))))c6Cl | Convert the molecule in this image to its {output_rep_type}. | |
Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) | MEFQWPUMEMWTJP-UHFFFAOYSA-N | 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid | This image contains a molecule; give me its InChI. Return only the InChI representation. | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14) | This image contains a molecule; give me its {output_rep_type}. | |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | HYQBLGJYQBZWSR-JLNKQSITSA-N | (21Z,24Z,27Z,30Z,33Z)-hexatriaconta-21,24,27,30,33-pentaenoic acid | Extract the SMILES from this molecular structure image: Just provide the SMILES without any explanation. | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O | Extract the {output_rep_type} from this molecular structure image: | |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | HYQBLGJYQBZWSR-JLNKQSITSA-N | (21Z,24Z,27Z,30Z,33Z)-hexatriaconta-21,24,27,30,33-pentaenoic acid | This image contains a molecule; give me its SELFIES. Return only the SELFIES representation. | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] | This image contains a molecule; give me its {output_rep_type}. | |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | HYQBLGJYQBZWSR-JLNKQSITSA-N | (21Z,24Z,27Z,30Z,33Z)-hexatriaconta-21,24,27,30,33-pentaenoic acid | Look at this molecular image and tell me its DeepSMILES. Please output the DeepSMILES representation only. Do not output anything else. | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC=O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC=O)O | Look at this molecular image and tell me its {output_rep_type}. | |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | HYQBLGJYQBZWSR-JLNKQSITSA-N | (21Z,24Z,27Z,30Z,33Z)-hexatriaconta-21,24,27,30,33-pentaenoic acid | What is the InChI of the molecule shown in this image? Return only the InChI representation. | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C36H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15- | What is the {output_rep_type} of the molecule shown in this image? | |
NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1 | OBQMLSFOUZUIOB-HJZCUYRDSA-N | [(2R,3S,4R)-5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | What is the SMILES of the molecule shown in this image? Just provide the SMILES without any explanation. | NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | What is the {output_rep_type} of the molecule shown in this image? | |
NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1 | OBQMLSFOUZUIOB-HJZCUYRDSA-N | [(2R,3S,4R)-5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | Look at this molecular image and tell me its SELFIES. Return only the SELFIES representation. | [N][C][C][Branch1][C][O][=N][C][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][N][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [N][C][C][Branch1][C][O][=N][C][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring1][N][O] | Look at this molecular image and tell me its {output_rep_type}. | |
NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1 | OBQMLSFOUZUIOB-HJZCUYRDSA-N | [(2R,3S,4R)-5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | Extract the DeepSMILES from this molecular structure image: Just provide the DeepSMILES without any explanation. | NCCO)=NCO[C@H]COP=O)O)O))))[C@@H]O)[C@H]5O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | NCCO)=NCO[C@H]COP=O)O)O))))[C@@H]O)[C@H]5O | Extract the {output_rep_type} from this molecular structure image: | |
NCC(O)=NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1 | OBQMLSFOUZUIOB-HJZCUYRDSA-N | [(2R,3S,4R)-5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | This image contains a molecule; give me its InChI. Give me only the InChI, no additional text. | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1 | This image contains a molecule; give me its {output_rep_type}. | |
CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H1... | OQTDHDDYVKUSEW-NQYRMHKHSA-M | null | Convert the molecule in this image to its SMILES. Output only the SMILES representation, nothing else. | CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | Convert the molecule in this image to its {output_rep_type}. | |
CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H1... | OQTDHDDYVKUSEW-NQYRMHKHSA-M | null | Convert the molecule in this image to its SELFIES. Please output the SELFIES representation only. Do not output anything else. | [C][C][=C][N][=C][Branch2][#Branch1][=C][C][=C][N][=C][Branch2][Branch1][S][C][Branch1][C][C][=C][N][C@@][Branch1][C][C][Branch2][Ring1][N][C@@H1][N][=C][Ring1][P][C@][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][O][C][C][=Branch1][C][=O][O][C@@][Branch1][C][C][Branch1][#Branch1][C][C][=Br... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=C][N][=C][Branch2][#Branch1][=C][C][=C][N][=C][Branch2][Branch1][S][C][Branch1][C][C][=C][N][C@@][Branch1][C][C][Branch2][Ring1][N][C@@H1][N][=C][Ring1][P][C@][Branch1][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][O][C][C][=Branch1][C][=O][O][C@@][Branch1][C][C][Branch1][#Branch1][C][C][=Br... | Convert the molecule in this image to its {output_rep_type}. | |
CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H1... | OQTDHDDYVKUSEW-NQYRMHKHSA-M | null | Look at this molecular image and tell me its DeepSMILES. Please output the DeepSMILES representation only. Do not output anything else. | CC=CN=CC=CN=CCC)=CN[C@@]C)[C@@H]N=C%15[C@]C)CCC=O)O))))[C@H]5CC=O)O))))))))[C@@]C)CC=N)O)))[C@@H]5CCC=O)O))))))))))[C@@]C)CC[NH-])=O)))[C@@H]5CCC=O)O))))))))))CC)C)[C@@H]5CCC=O)O.[CH2-][C@H]O[C@@H]ncnccN)ncnc69)))))))))[C@H]O)[C@@H]5O.[Co+3] | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CC=CN=CC=CN=CCC)=CN[C@@]C)[C@@H]N=C%15[C@]C)CCC=O)O))))[C@H]5CC=O)O))))))))[C@@]C)CC=N)O)))[C@@H]5CCC=O)O))))))))))[C@@]C)CC[NH-])=O)))[C@@H]5CCC=O)O))))))))))CC)C)[C@@H]5CCC=O)O.[CH2-][C@H]O[C@@H]ncnccN)ncnc69)))))))))[C@H]O)[C@@H]5O.[Co+3] | Look at this molecular image and tell me its {output_rep_type}. | |
CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC([NH-])=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O.[CH2-][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[Co+3] | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H1... | OQTDHDDYVKUSEW-NQYRMHKHSA-M | null | This image contains a molecule; give me its InChI. Give me only the InChI, no additional text. | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H1... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H1... | This image contains a molecule; give me its {output_rep_type}. | |
CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,23-,27-,28+,29+,30+/m0/s1 | BHHPRAFMEFGOLZ-QVUWEPBXSA-N | (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid | Please provide the SMILES for the molecule depicted above. Please output the SMILES representation only. Do not output anything else. | CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | Please provide the {output_rep_type} for the molecule depicted above. | |
CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,23-,27-,28+,29+,30+/m0/s1 | BHHPRAFMEFGOLZ-QVUWEPBXSA-N | (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid | This image contains a molecule; give me its SELFIES. Give me only the SELFIES, no additional text. | [C][C][Branch1][C][C][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C@][Branch1][C][C][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][Ring1][Branch1][C][C][C@@H1][Ring2][Ring1][O][C][Ring2][Ring1][S] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C@][Branch1][C][C][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][Ring1][Branch1][C][C][C@@H1][Ring2][Ring1][O][C][Ring2][Ring1][S] | This image contains a molecule; give me its {output_rep_type}. | |
CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,23-,27-,28+,29+,30+/m0/s1 | BHHPRAFMEFGOLZ-QVUWEPBXSA-N | (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid | Look at this molecular image and tell me its DeepSMILES. Return only the DeepSMILES representation. | CCC)CC[C@]C=O)O))CC=C[C@]C)CC[C@H]CC)C)[C@@H]O)CC[C@]6C)[C@H]%10CC[C@@]%14C)[C@@H]%18C%22 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)CC[C@]C=O)O))CC=C[C@]C)CC[C@H]CC)C)[C@@H]O)CC[C@]6C)[C@H]%10CC[C@@]%14C)[C@@H]%18C%22 | Look at this molecular image and tell me its {output_rep_type}. | |
CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 | InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,23-,27-,28+,29+,30+/m0/s1 | BHHPRAFMEFGOLZ-QVUWEPBXSA-N | (4aS,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid | Convert the molecule in this image to its InChI. Return only the InChI representation. | InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,23-,27-,28+,29+,30+/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19-,20+,22-,23-,27-,28+,29+,30+/m0/s1 | Convert the molecule in this image to its {output_rep_type}. | |
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O | InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 | YXJDFQJKERBOBM-TXICZTDVSA-N | [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate | Extract the SMILES from this molecular structure image: Give me only the SMILES, no additional text. | O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O | Extract the {output_rep_type} from this molecular structure image: | |
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O | InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 | YXJDFQJKERBOBM-TXICZTDVSA-N | [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate | Extract the SELFIES from this molecular structure image: Give me only the SELFIES, no additional text. | [O][=P][Branch1][C][O][Branch1][C][O][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=P][Branch1][C][O][Branch1][C][O][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] | Extract the {output_rep_type} from this molecular structure image: | |
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O | InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 | YXJDFQJKERBOBM-TXICZTDVSA-N | [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate | Extract the DeepSMILES from this molecular structure image: Return only the DeepSMILES representation. | O=PO)O)O[C@H]O[C@H]CO))[C@@H]O)[C@H]5O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | O=PO)O)O[C@H]O[C@H]CO))[C@@H]O)[C@H]5O | Extract the {output_rep_type} from this molecular structure image: | |
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O | InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 | YXJDFQJKERBOBM-TXICZTDVSA-N | [(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate | Look at this molecular image and tell me its InChI. Please output the InChI representation only. Do not output anything else. | InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 | Look at this molecular image and tell me its {output_rep_type}. | |
O=S(=O)(O)O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | QQGLQYQXUKHWPX-RFEZBLSLSA-N | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate | This image contains a molecule; give me its SMILES. Output only the SMILES representation, nothing else. | O=S(=O)(O)O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=S(=O)(O)O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | This image contains a molecule; give me its {output_rep_type}. | |
O=S(=O)(O)O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | QQGLQYQXUKHWPX-RFEZBLSLSA-N | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate | Please provide the SELFIES for the molecule depicted above. Give me only the SELFIES, no additional text. | [O][=S][=Branch1][C][=O][Branch1][C][O][O][/N][=C][Branch1][#Branch2][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=S][=Branch1][C][=O][Branch1][C][O][O][/N][=C][Branch1][#Branch2][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O] | Please provide the {output_rep_type} for the molecule depicted above. | |
O=S(=O)(O)O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | QQGLQYQXUKHWPX-RFEZBLSLSA-N | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate | Look at this molecular image and tell me its DeepSMILES. Return only the DeepSMILES representation. | O=S=O)O)O/N=C/Ccccccc6)))))))S[C@@H]O[C@H]CO))[C@@H]O)[C@H]O)[C@H]6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | O=S=O)O)O/N=C/Ccccccc6)))))))S[C@@H]O[C@H]CO))[C@@H]O)[C@H]O)[C@H]6O | Look at this molecular image and tell me its {output_rep_type}. | |
O=S(=O)(O)O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | QQGLQYQXUKHWPX-RFEZBLSLSA-N | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate | Convert the molecule in this image to its InChI. Just provide the InChI without any explanation. | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 | Convert the molecule in this image to its {output_rep_type}. | |
c1nc2c(=NC3CCCCC3)[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | ZFLJHSQHILSNCM-UHFFFAOYSA-N | 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine | Convert the molecule in this image to its SMILES. Output only the SMILES representation, nothing else. | c1nc2c(=NC3CCCCC3)[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | c1nc2c(=NC3CCCCC3)[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 | Convert the molecule in this image to its {output_rep_type}. | |
c1nc2c(=NC3CCCCC3)[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | ZFLJHSQHILSNCM-UHFFFAOYSA-N | 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine | Extract the SELFIES from this molecular structure image: Please output the SELFIES representation only. Do not output anything else. | [C][=N][C][C][=Branch1][#Branch2][=N][C][C][C][C][C][C][Ring1][=Branch1][NH1][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][=Ring2][Ring1][#Branch2][NH1][Ring2][Ring1][=N] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][=N][C][C][=Branch1][#Branch2][=N][C][C][C][C][C][C][Ring1][=Branch1][NH1][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][C][=Ring2][Ring1][#Branch2][NH1][Ring2][Ring1][=N] | Extract the {output_rep_type} from this molecular structure image: | |
c1nc2c(=NC3CCCCC3)[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | ZFLJHSQHILSNCM-UHFFFAOYSA-N | 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine | Please provide the DeepSMILES for the molecule depicted above. Give me only the DeepSMILES, no additional text. | cncc=NCCCCCC6)))))))[nH]cNccccNCCOCC6))))))cc6)))))))nc6[nH]9 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | cncc=NCCCCCC6)))))))[nH]cNccccNCCOCC6))))))cc6)))))))nc6[nH]9 | Please provide the {output_rep_type} for the molecule depicted above. | |
c1nc2c(=NC3CCCCC3)[nH]c(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1 | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | ZFLJHSQHILSNCM-UHFFFAOYSA-N | 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine | Look at this molecular image and tell me its InChI. Please output the InChI representation only. Do not output anything else. | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27) | Look at this molecular image and tell me its {output_rep_type}. | |
COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50... | XCOXSBLQZPFVGK-RGIWONJESA-N | 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5-methoxy-2-methylbenzene-1,4-diol | Convert the molecule in this image to its SMILES. Give me only the SMILES, no additional text. | COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | Convert the molecule in this image to its {output_rep_type}. | |
COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50... | XCOXSBLQZPFVGK-RGIWONJESA-N | 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5-methoxy-2-methylbenzene-1,4-diol | Look at this molecular image and tell me its SELFIES. Just provide the SELFIES without any explanation. | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch2][=Branch1][#Branch1][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch2][=Branch1][#Branch1][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][... | Look at this molecular image and tell me its {output_rep_type}. | |
COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50... | XCOXSBLQZPFVGK-RGIWONJESA-N | 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5-methoxy-2-methylbenzene-1,4-diol | Convert the molecule in this image to its DeepSMILES. Please output the DeepSMILES representation only. Do not output anything else. | COcccO)cC)cC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CCC=CC)C))))))))))))))))))))))))))))))))))))))))c6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | COcccO)cC)cC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CC/C=C\C)CCC=CC)C))))))))))))))))))))))))))))))))))))))))c6O | Convert the molecule in this image to its {output_rep_type}. | |
COc1cc(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O | InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50... | XCOXSBLQZPFVGK-RGIWONJESA-N | 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5-methoxy-2-methylbenzene-1,4-diol | Look at this molecular image and tell me its InChI. Output only the InChI representation, nothing else. | InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50... | Look at this molecular image and tell me its {output_rep_type}. | |
COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | InChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1 | NIRLIWMQNRJEDG-RARRKIFNSA-N | methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3-[(2S,3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate | This image contains a molecule; give me its SMILES. Return only the SMILES representation. | COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | This image contains a molecule; give me its {output_rep_type}. | |
COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | InChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1 | NIRLIWMQNRJEDG-RARRKIFNSA-N | methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3-[(2S,3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate | What is the SELFIES of the molecule shown in this image? Give me only the SELFIES, no additional text. | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch2][O][C][C][=C][C][=C][C][=Branch1][=N][=C][Branch1][C][O][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2][C][C][=Branch1][C][=O][C@][Branch1][C][O][C][=Bra... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch2][O][C][C][=C][C][=C][C][=Branch1][=N][=C][Branch1][C][O][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2][C][C][=Branch1][C][=O][C@][Branch1][C][O][C][=Bra... | What is the {output_rep_type} of the molecule shown in this image? | |
COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | InChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1 | NIRLIWMQNRJEDG-RARRKIFNSA-N | methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3-[(2S,3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate | What is the DeepSMILES of the molecule shown in this image? Give me only the DeepSMILES, no additional text. | COC=O)ccO[C@@H]O[C@@H]C)[C@H]O)[C@@H]OC))[C@H]6OC)))))))))ccccccO)c6c%10C))))C=O)[C@]O)C=O)C=COC))[C@@H]O)[C@]6O)C%10=O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | COC=O)ccO[C@@H]O[C@@H]C)[C@H]O)[C@@H]OC))[C@H]6OC)))))))))ccccccO)c6c%10C))))C=O)[C@]O)C=O)C=COC))[C@@H]O)[C@]6O)C%10=O | What is the {output_rep_type} of the molecule shown in this image? | |
COC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]2OC)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O | InChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1 | NIRLIWMQNRJEDG-RARRKIFNSA-N | methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3-[(2S,3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate | Look at this molecular image and tell me its InChI. Just provide the InChI without any explanation. | InChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C30H32O15/c1-10-17-12(8-14(18(10)27(37)43-6)45-28-23(42-5)22(41-4)20(32)11(2)44-28)7-13-19(21(17)33)26(36)29(38)16(31)9-15(40-3)25(35)30(29,39)24(13)34/h7-9,11,20,22-23,25,28,32-33,35,38-39H,1-6H3/t11-,20-,22+,23+,25+,28-,29+,30+/m0/s1 | Look at this molecular image and tell me its {output_rep_type}. | |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | PZCFFCOJNXGTIM-XPWFQUROSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate | Look at this molecular image and tell me its SMILES. Please output the SMILES representation only. Do not output anything else. | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | Look at this molecular image and tell me its {output_rep_type}. | |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | PZCFFCOJNXGTIM-XPWFQUROSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate | What is the SELFIES of the molecule shown in this image? Output only the SELFIES representation, nothing else. | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][=Branch1][P][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][=Branch1][P][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O... | What is the {output_rep_type} of the molecule shown in this image? | |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | PZCFFCOJNXGTIM-XPWFQUROSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate | Extract the DeepSMILES from this molecular structure image: Give me only the DeepSMILES, no additional text. | Ncncncc6ncn5[C@@H]O[C@H]COP=O)O)OP=O)O)OP=O)O)OP=O)O)OP=O)O)OP=O)O)OC[C@H]O[C@@H]ncnccN)ncnc69)))))))))[C@H]O)[C@@H]5O)))))))))))))))))))))[C@@H]O)[C@H]5O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | Ncncncc6ncn5[C@@H]O[C@H]COP=O)O)OP=O)O)OP=O)O)OP=O)O)OP=O)O)OP=O)O)OC[C@H]O[C@@H]ncnccN)ncnc69)))))))))[C@H]O)[C@@H]5O)))))))))))))))))))))[C@@H]O)[C@H]5O | Extract the {output_rep_type} from this molecular structure image: | |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | PZCFFCOJNXGTIM-XPWFQUROSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate | Please provide the InChI for the molecule depicted above. Please output the InChI representation only. Do not output anything else. | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,2... | Please provide the {output_rep_type} for the molecule depicted above. | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | InChI=1S/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,1... | HHYLATBINJGPSB-DJAXFCFISA-N | [(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate | Extract the SMILES from this molecular structure image: Output only the SMILES representation, nothing else. | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | Extract the {output_rep_type} from this molecular structure image: | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | InChI=1S/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,1... | HHYLATBINJGPSB-DJAXFCFISA-N | [(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate | Look at this molecular image and tell me its SELFIES. Give me only the SELFIES, no additional text. | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C]... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C][=C][\C][C][/C][Branch1][C][C]... | Look at this molecular image and tell me its {output_rep_type}. | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | InChI=1S/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,1... | HHYLATBINJGPSB-DJAXFCFISA-N | [(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate | This image contains a molecule; give me its DeepSMILES. Return only the DeepSMILES representation. | CCC)=CCC/CC)=C/CC/CC)=C/CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\COP=O)O)OP=O)O)O[C@H]O[C@H]CO))[C@@H]O[C@@H]O[C@H]CO))[C@@H]O)[C@H]O)[C@H]6O))))))))[C@H]O)[C@H]6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)=CCC/CC)=C/CC/CC)=C/CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\CC/CC)=C\COP=O)O)OP=O)O)O[C@H]O[C@H]CO))[C@@H]O[C@@H]O[C@H]CO))[C@@H]O)[C@H]O)[C@H]6O))))))))[C@H]O)[C@H]6O | This image contains a molecule; give me its {output_rep_type}. | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | InChI=1S/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,1... | HHYLATBINJGPSB-DJAXFCFISA-N | [(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate | Convert the molecule in this image to its InChI. Give me only the InChI, no additional text. | InChI=1S/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,1... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C67H112O17P2/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32-52(7)33-18-34-53(8)35-19-36-54(9)37-20-38-55(10)39-21-40-56(11)41-22-42-57(12)43-44-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(46-69)81-67)82-66-63(73)61(71)60(70)58(45-68)80-66/h23,25,27,29,31,33,35,37,39,41,43,58-74H,1... | Convert the molecule in this image to its {output_rep_type}. | |
O=c1cc[nH]c2ccc(O)cc12 | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | XFALURCRIGINGT-UHFFFAOYSA-N | 6-hydroxy-1H-quinolin-4-one | Look at this molecular image and tell me its SMILES. Output only the SMILES representation, nothing else. | O=c1cc[nH]c2ccc(O)cc12 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=c1cc[nH]c2ccc(O)cc12 | Look at this molecular image and tell me its {output_rep_type}. | |
O=c1cc[nH]c2ccc(O)cc12 | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | XFALURCRIGINGT-UHFFFAOYSA-N | 6-hydroxy-1H-quinolin-4-one | Extract the SELFIES from this molecular structure image: Just provide the SELFIES without any explanation. | [O][=C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1] | Extract the {output_rep_type} from this molecular structure image: | |
O=c1cc[nH]c2ccc(O)cc12 | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | XFALURCRIGINGT-UHFFFAOYSA-N | 6-hydroxy-1H-quinolin-4-one | This image contains a molecule; give me its DeepSMILES. Give me only the DeepSMILES, no additional text. | O=ccc[nH]ccccO)cc%106 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | O=ccc[nH]ccccO)cc%106 | This image contains a molecule; give me its {output_rep_type}. | |
O=c1cc[nH]c2ccc(O)cc12 | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | XFALURCRIGINGT-UHFFFAOYSA-N | 6-hydroxy-1H-quinolin-4-one | Please provide the InChI for the molecule depicted above. Just provide the InChI without any explanation. | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12) | Please provide the {output_rep_type} for the molecule depicted above. | |
CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1 | MASCESDECGBIBB-JAKCRWNRSA-N | (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | Look at this molecular image and tell me its SMILES. Just provide the SMILES without any explanation. | CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | Look at this molecular image and tell me its {output_rep_type}. | |
CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1 | MASCESDECGBIBB-JAKCRWNRSA-N | (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | What is the SELFIES of the molecule shown in this image? Give me only the SELFIES, no additional text. | [C][C][Branch1][C][O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][Ring2][C] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][Ring2][C] | What is the {output_rep_type} of the molecule shown in this image? | |
CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1 | MASCESDECGBIBB-JAKCRWNRSA-N | (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | What is the DeepSMILES of the molecule shown in this image? Give me only the DeepSMILES, no additional text. | CCO)[C@@]O)CC[C@H][C@@H]CCC=CC=O)CC[C@]6C)[C@H]%10CC[C@@]%14%17C | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCO)[C@@]O)CC[C@H][C@@H]CCC=CC=O)CC[C@]6C)[C@H]%10CC[C@@]%14%17C | What is the {output_rep_type} of the molecule shown in this image? | |
CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1 | MASCESDECGBIBB-JAKCRWNRSA-N | (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | Convert the molecule in this image to its InChI. Return only the InChI representation. | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1 | Convert the molecule in this image to its {output_rep_type}. | |
CC(O)=NCCCCNC(=N)N | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | JMACEDIUUMWDIC-UHFFFAOYSA-N | N-[4-(diaminomethylideneamino)butyl]acetamide | Extract the SMILES from this molecular structure image: Just provide the SMILES without any explanation. | CC(O)=NCCCCNC(=N)N | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)=NCCCCNC(=N)N | Extract the {output_rep_type} from this molecular structure image: | |
CC(O)=NCCCCNC(=N)N | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | JMACEDIUUMWDIC-UHFFFAOYSA-N | N-[4-(diaminomethylideneamino)butyl]acetamide | What is the SELFIES of the molecule shown in this image? Just provide the SELFIES without any explanation. | [C][C][Branch1][C][O][=N][C][C][C][C][N][C][=Branch1][C][=N][N] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][O][=N][C][C][C][C][N][C][=Branch1][C][=N][N] | What is the {output_rep_type} of the molecule shown in this image? | |
CC(O)=NCCCCNC(=N)N | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | JMACEDIUUMWDIC-UHFFFAOYSA-N | N-[4-(diaminomethylideneamino)butyl]acetamide | Convert the molecule in this image to its DeepSMILES. Please output the DeepSMILES representation only. Do not output anything else. | CCO)=NCCCCNC=N)N | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCO)=NCCCCNC=N)N | Convert the molecule in this image to its {output_rep_type}. | |
CC(O)=NCCCCNC(=N)N | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | JMACEDIUUMWDIC-UHFFFAOYSA-N | N-[4-(diaminomethylideneamino)butyl]acetamide | What is the InChI of the molecule shown in this image? Give me only the InChI, no additional text. | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | What is the {output_rep_type} of the molecule shown in this image? | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,4... | WADQQVAMGZIDFQ-NOHJVBJWSA-L | [oxido-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] phosphate | This image contains a molecule; give me its SMILES. Please output the SMILES representation only. Do not output anything else. | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | This image contains a molecule; give me its {output_rep_type}. | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,4... | WADQQVAMGZIDFQ-NOHJVBJWSA-L | [oxido-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] phosphate | This image contains a molecule; give me its SELFIES. Please output the SELFIES representation only. Do not output anything else. | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C]... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C]... | This image contains a molecule; give me its {output_rep_type}. | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,4... | WADQQVAMGZIDFQ-NOHJVBJWSA-L | [oxido-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] phosphate | Extract the DeepSMILES from this molecular structure image: Return only the DeepSMILES representation. | CCC)=CCC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/COP=O)[O-])OP=O)[O-])O[C@H]O[C@H]CO))[C@H]O)[C@H]O)[C@H]6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)=CCC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/CC/CC)=C/COP=O)[O-])OP=O)[O-])O[C@H]O[C@H]CO))[C@H]O)[C@H]O)[C@H]6O | Extract the {output_rep_type} from this molecular structure image: | |
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,4... | WADQQVAMGZIDFQ-NOHJVBJWSA-L | [oxido-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] phosphate | Please provide the InChI for the molecule depicted above. Give me only the InChI, no additional text. | InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,4... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,67)73-75(68,69)72-61-60(65)59(64)58(63)57(45-62)71-61/h23,25,27,29,31,33,35,37,39,41,43,57-65H,13-22,24,26,28,30,32,34,36,38,40,42,4... | Please provide the {output_rep_type} for the molecule depicted above. | |
Cc1cc2ncn([C@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2cc1C | InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/p-2/t11-,12-,13-,14+/m1/s1 | ZMRGXEJKZPRBPJ-SYQHCUMBSA-L | [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | Look at this molecular image and tell me its SMILES. Just provide the SMILES without any explanation. | Cc1cc2ncn([C@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2cc1C | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | Cc1cc2ncn([C@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2cc1C | Look at this molecular image and tell me its {output_rep_type}. | |
Cc1cc2ncn([C@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2cc1C | InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/p-2/t11-,12-,13-,14+/m1/s1 | ZMRGXEJKZPRBPJ-SYQHCUMBSA-L | [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | Please provide the SELFIES for the molecule depicted above. Return only the SELFIES representation. | [C][C][=C][C][N][=C][N][Branch2][Ring1][Branch2][C@H1][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C@@H1][Branch1][C][O][C@H1][Ring1][N][O][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=C][C][N][=C][N][Branch2][Ring1][Branch2][C@H1][O][C@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C@@H1][Branch1][C][O][C@H1][Ring1][N][O][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C] | Please provide the {output_rep_type} for the molecule depicted above. | |
Cc1cc2ncn([C@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2cc1C | InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/p-2/t11-,12-,13-,14+/m1/s1 | ZMRGXEJKZPRBPJ-SYQHCUMBSA-L | [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | Look at this molecular image and tell me its DeepSMILES. Return only the DeepSMILES representation. | Ccccncn[C@H]O[C@H]COP=O)[O-])[O-]))))[C@@H]O)[C@H]5O))))))c5cc9C | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | Ccccncn[C@H]O[C@H]COP=O)[O-])[O-]))))[C@@H]O)[C@H]5O))))))c5cc9C | Look at this molecular image and tell me its {output_rep_type}. | |
Cc1cc2ncn([C@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2cc1C | InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/p-2/t11-,12-,13-,14+/m1/s1 | ZMRGXEJKZPRBPJ-SYQHCUMBSA-L | [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | Look at this molecular image and tell me its InChI. Give me only the InChI, no additional text. | InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/p-2/t11-,12-,13-,14+/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/p-2/t11-,12-,13-,14+/m1/s1 | Look at this molecular image and tell me its {output_rep_type}. | |
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 | YNDXUCZADRHECN-JNQJZLCISA-N | (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one | Extract the SMILES from this molecular structure image: Output only the SMILES representation, nothing else. | CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | Extract the {output_rep_type} from this molecular structure image: | |
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 | YNDXUCZADRHECN-JNQJZLCISA-N | (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one | Look at this molecular image and tell me its SELFIES. Output only the SELFIES representation, nothing else. | [C][C][Branch1][C][C][O][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@][Ring2][Ring1][=Branch1][Branch1][#Branch1][C][=Branch1][C][=O][C][O][O][Ring2][Ring1][=C] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][O][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@][Ring2][Ring1][=Branch1][Branch1][#Branch1][C][=Branch1][C][=O][C][O][O][Ring2][Ring1][=C] | Look at this molecular image and tell me its {output_rep_type}. | |
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 | YNDXUCZADRHECN-JNQJZLCISA-N | (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one | Extract the DeepSMILES from this molecular structure image: Give me only the DeepSMILES, no additional text. | CCC)O[C@@H]C[C@H][C@@H]CCC=CC=O)C=C[C@]6C)[C@@]%10F)[C@@H]O)C[C@]%14C)[C@]%17C=O)CO)))O%20 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)O[C@@H]C[C@H][C@@H]CCC=CC=O)C=C[C@]6C)[C@@]%10F)[C@@H]O)C[C@]%14C)[C@]%17C=O)CO)))O%20 | Extract the {output_rep_type} from this molecular structure image: | |
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 | YNDXUCZADRHECN-JNQJZLCISA-N | (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one | Look at this molecular image and tell me its InChI. Just provide the InChI without any explanation. | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1 | Look at this molecular image and tell me its {output_rep_type}. | |
CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 | InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1 | BHVJSLPLFOAMEV-UHIFYLTQSA-N | (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid | Look at this molecular image and tell me its SMILES. Output only the SMILES representation, nothing else. | CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 | Look at this molecular image and tell me its {output_rep_type}. | |
CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 | InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1 | BHVJSLPLFOAMEV-UHIFYLTQSA-N | (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid | This image contains a molecule; give me its SELFIES. Output only the SELFIES representation, nothing else. | [C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@][Branch1][C][C][C][=C][Branch1][Branch2][C][C][C@@H1][Ring1][=N][Ring1][#Branch1][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][O][C@][Ring1][S][Branch1][C][C][C][C][Ring2][Ring1][Bran... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@][Branch1][C][C][C][=C][Branch1][Branch2][C][C][C@@H1][Ring1][=N][Ring1][#Branch1][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][O][C@][Ring1][S][Branch1][C][C][C][C][Ring2][Ring1][Bran... | This image contains a molecule; give me its {output_rep_type}. | |
CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 | InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1 | BHVJSLPLFOAMEV-UHIFYLTQSA-N | (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid | Extract the DeepSMILES from this molecular structure image: Please output the DeepSMILES representation only. Do not output anything else. | CCC)[C@@H]O)CC[C@]C)C=CCC[C@@H]%106)))[C@@]C)CC[C@@]C)CC[C@]C)C=O)O))C[C@H]6[C@]%10C)CC%14 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC)[C@@H]O)CC[C@]C)C=CCC[C@@H]%106)))[C@@]C)CC[C@@]C)CC[C@]C)C=O)O))C[C@H]6[C@]%10C)CC%14 | Extract the {output_rep_type} from this molecular structure image: | |
CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 | InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1 | BHVJSLPLFOAMEV-UHIFYLTQSA-N | (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid | What is the InChI of the molecule shown in this image? Please output the InChI representation only. Do not output anything else. | InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1 | What is the {output_rep_type} of the molecule shown in this image? | |
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 | CIWBQSYVNNPZIQ-XYWKZLDCSA-N | [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate | Extract the SMILES from this molecular structure image: Return only the SMILES representation. | CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | Extract the {output_rep_type} from this molecular structure image: | |
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 | CIWBQSYVNNPZIQ-XYWKZLDCSA-N | [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate | Please provide the SELFIES for the molecule depicted above. Return only the SELFIES representation. | [C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][C][Ring2][Ring1][O][C] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][C][Ring2][Ring1][O][C] | Please provide the {output_rep_type} for the molecule depicted above. | |
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 | CIWBQSYVNNPZIQ-XYWKZLDCSA-N | [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate | Extract the DeepSMILES from this molecular structure image: Please output the DeepSMILES representation only. Do not output anything else. | CCC=O)OCC=O)[C@@]OC=O)CC))))[C@@H]C)C[C@H][C@@H]CCC=CC=O)C=C[C@]6C)[C@@]%10F)[C@@H]O)C[C@@]%14%17C | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCC=O)OCC=O)[C@@]OC=O)CC))))[C@@H]C)C[C@H][C@@H]CCC=CC=O)C=C[C@]6C)[C@@]%10F)[C@@H]O)C[C@@]%14%17C | Extract the {output_rep_type} from this molecular structure image: | |
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 | CIWBQSYVNNPZIQ-XYWKZLDCSA-N | [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate | Extract the InChI from this molecular structure image: Return only the InChI representation. | InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 | Extract the {output_rep_type} from this molecular structure image: |
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