can_smiles stringlengths 6 465 | inchi stringlengths 38 1.29k | inchikey stringlengths 27 27 | iupac stringlengths 13 1.08k ⌀ | prompt stringclasses 118
values | completion stringlengths 6 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 6 1.65k | qa_template stringclasses 6
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](CO)O[C@H]1O | InChI=1S/C14H25NO17S2/c1-4(18)15-7-8(19)10(5(2-16)28-13(7)21)30-14-9(20)12(32-34(25,26)27)11(6(3-17)29-14)31-33(22,23)24/h5-14,16-17,19-21H,2-3H2,1H3,(H,15,18)(H,22,23,24)(H,25,26,27)/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14+/m1/s1 | BDEAGLPLJHLHOI-HTOUAXGPSA-N | [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] hydrogen sulfate | Look at this molecular image and tell me its SELFIES. Output only the SELFIES representation, nothing else. | [C][C][Branch1][C][O][=N][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Ring2][Ring1][C][O][C@@H1][Branch1][Ring1][C][O][O... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][O][=N][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Ring2][Ring1][C][O][C@@H1][Branch1][Ring1][C][O][O... | 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 | Please provide the DeepSMILES for the molecule depicted above. Output only the DeepSMILES representation, nothing else. | 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 | Please provide the {output_rep_type} for the molecule depicted above. | |
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN=C(O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC | InChI=1S/C57H108NO9P/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-56(60)64-52-54(67-57(61)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2)53-66-68(62,63)65-51-50-58-55(59)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3/h25-28,54H,4-24,29-53H2,1-3H3,(H,58,59)(H,62,63)/b27-25-,28-26-/t54-/m1/s1 | RSIZIZJZWMQYBR-MCBYAYSZSA-N | [(2R)-3-[2-(hexadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate | Please provide the DeepSMILES for the molecule depicted above. Return only the DeepSMILES representation. | CCCCCCCC/C=C\CCCCCCCC=O)OC[C@H]COP=O)O)OCCN=CO)CCCCCCCCCCCCCCC)))))))))))))))))))))))OC=O)CCCCCCC/C=C\CCCCCCCC | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCCCCCCC/C=C\CCCCCCCC=O)OC[C@H]COP=O)O)OCCN=CO)CCCCCCCCCCCCCCC)))))))))))))))))))))))OC=O)CCCCCCC/C=C\CCCCCCCC | Please provide the {output_rep_type} for the molecule depicted above. | |
O=C(O)CCC/C=C\C/C=C\C=C\C(O)C/C=C\CCCCCO | InChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/b4-2-,7-3-,12-8-,15-11+ | NUPDGIJXOAHJRW-LNESKJDXSA-N | (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid | Extract the SELFIES from this molecular structure image: Give me only the SELFIES, no additional text. | [O][=C][Branch1][C][O][C][C][C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][C][O][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][C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][C][O][C][/C][=C][\C][C][C][C][C][O] | 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 | Convert the molecule in this image to its SMILES. Give me only the SMILES, no additional text. | 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}. | |
CCCCC/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O | InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2... | MJBZUCVXTFUVFY-PHQNXBNMSA-N | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z)-tetradeca-5,8-dienethioate | Look at this molecular image and tell me its SMILES. Return only the SMILES representation. | CCCCC/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCCCC/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O | Look at this molecular image and tell me its {output_rep_type}. | |
CC(O)=N[C@@H](Cc1ccc(O)c(N=Nc2ccc([As](=O)(O)O)cc2)c1)C(=O)O | InChI=1S/C17H18AsN3O7/c1-10(22)19-15(17(24)25)9-11-2-7-16(23)14(8-11)21-20-13-5-3-12(4-6-13)18(26,27)28/h2-8,15,23H,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)/t15-/m0/s1 | JOEPQBSJSKBHBS-HNNXBMFYSA-N | (2S)-2-acetamido-3-[3-[(4-arsonophenyl)diazenyl]-4-hydroxyphenyl]propanoic acid | Extract the SMILES from this molecular structure image: Output only the SMILES representation, nothing else. | CC(O)=N[C@@H](Cc1ccc(O)c(N=Nc2ccc([As](=O)(O)O)cc2)c1)C(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)=N[C@@H](Cc1ccc(O)c(N=Nc2ccc([As](=O)(O)O)cc2)c1)C(=O)O | Extract the {output_rep_type} from this molecular structure image: | |
CC1(C)C=Cc2c(cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc23)O1 | InChI=1S/C26H26O12/c1-26(2)6-5-11-15(38-26)8-14(30)17-19(32)24(37-25-21(34)20(33)18(31)16(9-27)35-25)22(36-23(11)17)10-3-4-12(28)13(29)7-10/h3-8,16,18,20-21,25,27-31,33-34H,9H2,1-2H3/t16-,18-,20+,21-,25+/m1/s1 | IVILUDSFUSZAPC-HWZJXXSZSA-N | 2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrano[2,3-h]chromen-4-one | This image contains a molecule; give me its InChI. Return only the InChI representation. | InChI=1S/C26H26O12/c1-26(2)6-5-11-15(38-26)8-14(30)17-19(32)24(37-25-21(34)20(33)18(31)16(9-27)35-25)22(36-23(11)17)10-3-4-12(28)13(29)7-10/h3-8,16,18,20-21,25,27-31,33-34H,9H2,1-2H3/t16-,18-,20+,21-,25+/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C26H26O12/c1-26(2)6-5-11-15(38-26)8-14(30)17-19(32)24(37-25-21(34)20(33)18(31)16(9-27)35-25)22(36-23(11)17)10-3-4-12(28)13(29)7-10/h3-8,16,18,20-21,25,27-31,33-34H,9H2,1-2H3/t16-,18-,20+,21-,25+/m1/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 | This image contains a molecule; give me its DeepSMILES. Give me only the DeepSMILES, no additional text. | 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 | This image contains a molecule; give me 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 DeepSMILES. Please output the DeepSMILES representation only. Do not output anything else. | 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 | Convert the molecule in this image to 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]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2N=... | InChI=1S/C89H148N2O31P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-111-123(107,108)122-124(109,110)121-86-71(91-65(15)97)82(75(101)68(50-94)114-86)117-85-70(90-64(14)96)81(74(100)67(49-93)113-85)118-89-84(1... | UQYSJTDLRLYPNU-OOXGFABVSA-L | null | This image contains a molecule; give me its DeepSMILES. Just provide the DeepSMILES without any explanation. | 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]O[C@H]CO))[C@H]O)[C@H]O[C@@H]O[C@H]CO))[C@H]O)[C@H]O[C@H]O[C@H]CO))[C@H]O)[C@H]O)[C@H]6O))))))))[C@H]6O[C@@H]O[C@@H]C)[C@@H]O)[C@@H]O)[C@@H]6O)))))))))))))))[C@H]6N=CC)[O-])))... | 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]O[C@H]CO))[C@H]O)[C@H]O[C@@H]O[C@H]CO))[C@H]O)[C@H]O[C@H]O[C@H]CO))[C@H]O)[C@H]O)[C@H]6O))))))))[C@H]6O[C@@H]O[C@@H]C)[C@@H]O)[C@@H]O)[C@@H]6O)))))))))))))))[C@H]6N=CC)[O-])))... | This image contains a molecule; give me its {output_rep_type}. | |
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C[C@H]1O | InChI=1S/C18H32O14/c1-5-6(21)2-7(22)17(28-5)31-14-11(24)9(4-20)29-16(27)15(14)32-18-13(26)12(25)10(23)8(3-19)30-18/h5-27H,2-4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12+,13-,14+,15+,16+,17-,18-/m1/s1 | LSAKLQNQHXTPFN-HLJUHOIZSA-N | (2R,3R,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | What is the InChI of the molecule shown in this image? Please output the InChI representation only. Do not output anything else. | InChI=1S/C18H32O14/c1-5-6(21)2-7(22)17(28-5)31-14-11(24)9(4-20)29-16(27)15(14)32-18-13(26)12(25)10(23)8(3-19)30-18/h5-27H,2-4H2,1H3/t5-,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/C18H32O14/c1-5-6(21)2-7(22)17(28-5)31-14-11(24)9(4-20)29-16(27)15(14)32-18-13(26)12(25)10(23)8(3-19)30-18/h5-27H,2-4H2,1H3/t5-,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? | |
N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O | InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1 | WZNJWVWKTVETCG-YFKPBYRVSA-N | (2S)-2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid | Convert the molecule in this image to its DeepSMILES. Output only the DeepSMILES representation, nothing else. | N[C@@H]Cnccc=O)cO)c6)))))))C=O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | N[C@@H]Cnccc=O)cO)c6)))))))C=O)O | Convert the molecule in this image to its {output_rep_type}. | |
C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1 | InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1 | RYAUSSKQMZRMAI-YESZJQIVSA-N | (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine | Look at this molecular image and tell me its SELFIES. Output only the SELFIES representation, nothing else. | [C][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][N][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][Branch2] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][N][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][Branch2] | Look at this molecular image and tell me its {output_rep_type}. | |
N=C(O)CNCCS(=O)(=O)O | InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10) | DBXNUXBLKRLWFA-UHFFFAOYSA-N | 2-[(2-amino-2-oxoethyl)amino]ethanesulfonic acid | Look at this molecular image and tell me its SELFIES. Give me only the SELFIES, no additional text. | [N][=C][Branch1][C][O][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [N][=C][Branch1][C][O][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O] | Look at this molecular image and tell me its {output_rep_type}. | |
CC1(C)CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1 | InChI=1S/C46H76O16/c1-40(2)14-15-45-21-58-46(27(45)16-40)13-9-26-42(5)11-10-29(41(3,4)25(42)8-12-43(26,6)44(46,7)17-28(45)49)61-37-35(55)32(52)24(20-57-37)60-39-36(33(53)31(51)23(18-47)59-39)62-38-34(54)30(50)22(48)19-56-38/h22-39,47-55H,8-21H2,1-7H3/t22-,23-,24+,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,... | DYAQVNOJMUMVBF-XKXSQMESSA-N | (2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(3S,4R,5R,6S)-4,5-dihydroxy-6-[[(1S,2R,4S,5R,8R,10S,13R,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol | This image contains a molecule; give me its InChI. Output only the InChI representation, nothing else. | InChI=1S/C46H76O16/c1-40(2)14-15-45-21-58-46(27(45)16-40)13-9-26-42(5)11-10-29(41(3,4)25(42)8-12-43(26,6)44(46,7)17-28(45)49)61-37-35(55)32(52)24(20-57-37)60-39-36(33(53)31(51)23(18-47)59-39)62-38-34(54)30(50)22(48)19-56-38/h22-39,47-55H,8-21H2,1-7H3/t22-,23-,24+,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C46H76O16/c1-40(2)14-15-45-21-58-46(27(45)16-40)13-9-26-42(5)11-10-29(41(3,4)25(42)8-12-43(26,6)44(46,7)17-28(45)49)61-37-35(55)32(52)24(20-57-37)60-39-36(33(53)31(51)23(18-47)59-39)62-38-34(54)30(50)22(48)19-56-38/h22-39,47-55H,8-21H2,1-7H3/t22-,23-,24+,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,... | This image contains a molecule; give me its {output_rep_type}. | |
OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O | InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1 | JAYVHSBYKLLDJC-DSNJPTTOSA-N | (2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | Extract the DeepSMILES from this molecular structure image: Give me only the DeepSMILES, no additional text. | OC[C@H]O[C@@H]OccO)ccO)cc6/C=C/ccccO)cc6)))))))))))))))[C@H]O)[C@@H]O)[C@@H]6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | OC[C@H]O[C@@H]OccO)ccO)cc6/C=C/ccccO)cc6)))))))))))))))[C@H]O)[C@@H]O)[C@@H]6O | Extract the {output_rep_type} from this molecular structure image: | |
CCCCCCCCCCCCCCCC(=O)[O-] | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1 | IPCSVZSSVZVIGE-UHFFFAOYSA-M | hexadecanoate | Extract the InChI from this molecular structure image: Please output the InChI representation only. Do not output anything else. | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1 | Extract the {output_rep_type} from this molecular structure image: | |
O=c1cc(-c2ccc([O-])cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12 | InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/p-1/t14-,17-,18+,19-,21+/m1/s1 | SGEWCQFRYRRZDC-VPRICQMDSA-M | 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-olate | Extract the SELFIES from this molecular structure image: Give me only the SELFIES, no additional text. | [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][O][C][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][=C][Ring2][Ring1][Ring1] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][O][C][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][=C][Ring2][Ring1][Ring1] | Extract the {output_rep_type} from this molecular structure image: | |
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1 | WFZKUWGUJVKMHC-NABJBPAWSA-N | trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | Convert the molecule in this image to its SMILES. Output only the SMILES representation, nothing else. | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | Convert the molecule in this image to its {output_rep_type}. | |
O=C(O)[C@H]1NC[C@H](O)[C@H]1O | InChI=1S/C5H9NO4/c7-2-1-6-3(4(2)8)5(9)10/h2-4,6-8H,1H2,(H,9,10)/t2-,3-,4+/m0/s1 | HWNGLKPRXKKTPK-YVZJFKFKSA-N | (2S,3S,4S)-3,4-dihydroxypyrrolidine-2-carboxylic acid | Extract the SMILES from this molecular structure image: Return only the SMILES representation. | O=C(O)[C@H]1NC[C@H](O)[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=C(O)[C@H]1NC[C@H](O)[C@H]1O | Extract the {output_rep_type} from this molecular structure image: | |
COc1cccc2oc3c(Cl)c(O)c([C@H]4CCC[C@@H](C)O4)c(O)c3c(=O)c12 | InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 | MWYMVCYBLZZWPG-BXKDBHETSA-N | 4-chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyloxan-2-yl]xanthen-9-one | Extract the InChI from this molecular structure image: Return only the InChI representation. | InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 | Extract the {output_rep_type} from this molecular structure image: | |
CC(C)=CCc1cc(C(=O)O)cc([O-])c1O | InChI=1S/C12H14O4/c1-7(2)3-4-8-5-9(12(15)16)6-10(13)11(8)14/h3,5-6,13-14H,4H2,1-2H3,(H,15,16)/p-1 | NMAKQSXJWYBYRF-UHFFFAOYSA-M | 4-carboxy-2-hydroxy-6-(3-methylbut-2-enyl)phenolate | Convert the molecule in this image to its SMILES. Please output the SMILES representation only. Do not output anything else. | CC(C)=CCc1cc(C(=O)O)cc([O-])c1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(C)=CCc1cc(C(=O)O)cc([O-])c1O | Convert the molecule in this image to its {output_rep_type}. | |
CCCCNS(=O)(=O)c1ccccc1 | InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3 | IPRJXAGUEGOFGG-UHFFFAOYSA-N | N-butylbenzenesulfonamide | Look at this molecular image and tell me its SMILES. Return only the SMILES representation. | CCCCNS(=O)(=O)c1ccccc1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCCCNS(=O)(=O)c1ccccc1 | Look at this molecular image and tell me its {output_rep_type}. | |
O=C(O)c1ccnc(C(=O)O)c1 | InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12) | MJIVRKPEXXHNJT-UHFFFAOYSA-N | pyridine-2,4-dicarboxylic acid | Look at this molecular image and tell me its SMILES. Output only the SMILES representation, nothing else. | O=C(O)c1ccnc(C(=O)O)c1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=C(O)c1ccnc(C(=O)O)c1 | Look at this molecular image and tell me its {output_rep_type}. | |
N[C@@H](CS)C(O)=N[C@H]1[C@@H](OC2[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O | InChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8?,9-,10+,11+,12+,13?,15+/m0/s1 | ZGXSCMBZZVXWGF-GGKYFZEDSA-N | (2R)-2-amino-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide | Look at this molecular image and tell me its DeepSMILES. Give me only the DeepSMILES, no additional text. | N[C@@H]CS))CO)=N[C@H][C@@H]OC[C@H]O)[C@H]O)CO)[C@H]O)[C@H]6O))))))))O[C@H]CO))[C@@H]O)[C@@H]6O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | N[C@@H]CS))CO)=N[C@H][C@@H]OC[C@H]O)[C@H]O)CO)[C@H]O)[C@H]6O))))))))O[C@H]CO))[C@@H]O)[C@@H]6O | Look at this molecular image and tell me its {output_rep_type}. | |
CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN | InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1 | RVNBVQKDPQVSOY-OAQYLSRUSA-N | [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] heptadecanoate | Extract the InChI from this molecular structure image: Return only the InChI representation. | InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1 | Extract the {output_rep_type} from this molecular structure image: | |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1 | DNZPQXXGAMXDHH-FCNQEGBTSA-N | methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate | Please provide the SELFIES for the molecule depicted above. Return only the SELFIES representation. | [C][C][C@@][Branch1][C][O][C][C@H1][Branch2][Ring2][#Branch2][O][C@H1][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring1][O][C@H1][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][=Branch2][C@H1][Branch1][C][C][O][Ring2][Ring1][Ring2][C][=C][Branch2][Ring1][=N][C][=... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C@@][Branch1][C][O][C][C@H1][Branch2][Ring2][#Branch2][O][C@H1][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring1][O][C@H1][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][=Branch2][C@H1][Branch1][C][C][O][Ring2][Ring1][Ring2][C][=C][Branch2][Ring1][=N][C][=... | Please provide the {output_rep_type} for the molecule depicted above. | |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)c2ccc(O)cc2)[C@@H](O)[C@H]1O | InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-1-3-9(23)4-2-8/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1 | DMJCKNFAONBFQI-XNIJJKJLSA-N | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 4-hydroxybenzoate | Extract the SELFIES from this molecular structure image: Just provide the SELFIES without any explanation. | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][#Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][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][Ring1][#Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O] | Extract the {output_rep_type} from this molecular structure image: | |
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1 | ZOCKGJZEUVPPPI-QSNSFFMXSA-N | [(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate | Convert the molecule in this image to its SMILES. Output only the SMILES representation, nothing else. | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O | Convert the molecule in this image to its {output_rep_type}. | |
COc1cc(/C=C/C(=O)O)ccc1OS(=O)(=O)O | InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+ | PZPATWACAAOHTJ-HWKANZROSA-N | (E)-3-(3-methoxy-4-sulfooxyphenyl)prop-2-enoic acid | Convert the molecule in this image to its DeepSMILES. Just provide the DeepSMILES without any explanation. | COccc/C=C/C=O)O))))ccc6OS=O)=O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | COccc/C=C/C=O)O))))ccc6OS=O)=O)O | Convert the molecule in this image to its {output_rep_type}. | |
CC1=CC(=O)C(CC(=O)[O-])C1(C)C | InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1 | UJJNLVMCZZZXFW-UHFFFAOYSA-M | 2-(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate | What is the InChI of the molecule shown in this image? Return only the InChI representation. | InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1 | What is the {output_rep_type} of the molecule shown in this image? | |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1 | DNZPQXXGAMXDHH-FCNQEGBTSA-N | methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate | Look at this molecular image and tell me its DeepSMILES. Please output the DeepSMILES representation only. Do not output anything else. | CC[C@@]O)C[C@H]O[C@H]C[C@H]NC)C))[C@H]O[C@H]C[C@H]O)[C@H]O)[C@H]C)O6)))))))[C@H]C)O6)))))))cccccc6O))C=O)ccO)cccc6C%10=O))))))))))))[C@H]6C=O)OC | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CC[C@@]O)C[C@H]O[C@H]C[C@H]NC)C))[C@H]O[C@H]C[C@H]O)[C@H]O)[C@H]C)O6)))))))[C@H]C)O6)))))))cccccc6O))C=O)ccO)cccc6C%10=O))))))))))))[C@H]6C=O)OC | Look at this molecular image and tell me its {output_rep_type}. | |
CCCCCCCCC(O)CCCCCCCCC(=O)O | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) | PAZZVPKITDJCPV-UHFFFAOYSA-N | 10-hydroxyoctadecanoic acid | This image contains a molecule; give me its SMILES. Please output the SMILES representation only. Do not output anything else. | CCCCCCCCC(O)CCCCCCCCC(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCCCCCCCC(O)CCCCCCCCC(=O)O | This image contains a molecule; give me its {output_rep_type}. | |
CCCCC/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O | InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2... | MJBZUCVXTFUVFY-PHQNXBNMSA-N | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (5Z,8Z)-tetradeca-5,8-dienethioate | This image contains a molecule; give me its SELFIES. Just provide the SELFIES without any explanation. | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][S][C][C][N][=C][Branch1][C][O][C][C][N][=C][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C]... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][S][C][C][N][=C][Branch1][C][O][C][C][N][=C][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C]... | This image contains a molecule; give me its {output_rep_type}. | |
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1 | InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H | GNVDAZSPJWCIQZ-UHFFFAOYSA-N | 4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide | Convert the molecule in this image to its InChI. Please output the InChI representation only. Do not output anything else. | InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H | Convert the molecule in this image to its {output_rep_type}. | |
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H]([NH3+])c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O | InChI=1S/C40H47NO13/c1-20-25(52-36(48)30(45)29(41)23-13-9-7-10-14-23)18-40(49)34(53-35(47)24-15-11-8-12-16-24)32-38(6,26(44)17-27-39(32,19-50-27)54-22(3)43)33(46)31(51-21(2)42)28(20)37(40,4)5/h7-16,25-27,29-32,34,44-45,49H,17-19,41H2,1-6H3/p+1/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1 | DLACRDONFBNRSP-KWIOUIIFSA-O | [(1S,2R)-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-2-hydroxy-3-oxo-1-phenylpropyl]azanium | Convert the molecule in this image to its SELFIES. Please output the SELFIES representation only. Do not output anything else. | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@@][Branch1][C][C][C@H1][Branch2][Branch1][#C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][C][C@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][C][NH3+1][C][=C][C][=C][C... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@@][Branch1][C][C][C@H1][Branch2][Branch1][#C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][C][C@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][C][NH3+1][C][=C][C][=C][C... | Convert the molecule in this image to its {output_rep_type}. | |
CCCCC(O)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] | InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/p-1/b5-4-,10-8-,11-9-,17-14- | JEKNPVYFNMZRJG-UFINWASNSA-M | (5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoate | This image contains a molecule; give me its SELFIES. Please output the SELFIES representation only. Do not output anything else. | [C][C][C][C][C][Branch1][C][O][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O-1] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C][C][C][Branch1][C][O][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O-1] | This image contains a molecule; give me its {output_rep_type}. | |
C[C@H](C(=O)O)c1ccc2cc([O-])ccc2c1 | InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/p-1/t8-/m0/s1 | XWJUDDGELKXYNO-QMMMGPOBSA-M | null | This image contains a molecule; give me its InChI. Return only the InChI representation. | InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/p-1/t8-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)/p-1/t8-/m0/s1 | This image contains a molecule; give me its {output_rep_type}. | |
Fc1cc(F)c2c(c1)[C@H]1C=CC[C@H]1C(c1cccnc1)N2 | InChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16?/m0/s1 | NJZHEQOUHLZCOX-FTLRAWMYSA-N | (3aR,9bS)-6,8-difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | What is the SELFIES of the molecule shown in this image? Give me only the SELFIES, no additional text. | [F][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][C][=C][C][C@H1][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][S] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [F][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][C][=C][C][C@H1][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][S] | What is the {output_rep_type} of the molecule shown in this image? | |
C#CC(=O)OCC | InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3 | FMVJYQGSRWVMQV-UHFFFAOYSA-N | ethyl prop-2-ynoate | Extract the InChI from this molecular structure image: Just provide the InChI without any explanation. | InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3 | Extract the {output_rep_type} from this molecular structure image: | |
CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC | InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,36-37,40-44,47-49H,3-12,14,16-35H2,1-2H3/b15-13-/t36-,37-,40-,41+,42-,43+/m1/s1 | ZRLBVFCUWBATSB-HBHGLPGMSA-N | [(2S)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (Z)-octadec-11-enoate | Please provide the SMILES for the molecule depicted above. Just provide the SMILES without any explanation. | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC | Please provide the {output_rep_type} for the molecule depicted above. | |
C/C1=C2\CC[C@@H](C)[C@@H]2CC[C@H](C)[C@H]2C[C@@]3(C)CC[C@H](C(C)C)[C@@H]3C[C@]12O | InChI=1S/C25H42O/c1-15(2)19-11-12-24(6)13-22-17(4)8-9-20-16(3)7-10-21(20)18(5)25(22,26)14-23(19)24/h15-17,19-20,22-23,26H,7-14H2,1-6H3/b21-18-/t16-,17+,19-,20+,22-,23+,24-,25+/m1/s1 | VQMHZILKNHUAMP-AISFCYSSSA-N | (1R,2Z,6R,7S,10S,11R,13R,16R,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-2-en-1-ol | Please provide the InChI for the molecule depicted above. Output only the InChI representation, nothing else. | InChI=1S/C25H42O/c1-15(2)19-11-12-24(6)13-22-17(4)8-9-20-16(3)7-10-21(20)18(5)25(22,26)14-23(19)24/h15-17,19-20,22-23,26H,7-14H2,1-6H3/b21-18-/t16-,17+,19-,20+,22-,23+,24-,25+/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C25H42O/c1-15(2)19-11-12-24(6)13-22-17(4)8-9-20-16(3)7-10-21(20)18(5)25(22,26)14-23(19)24/h15-17,19-20,22-23,26H,7-14H2,1-6H3/b21-18-/t16-,17+,19-,20+,22-,23+,24-,25+/m1/s1 | Please provide the {output_rep_type} for the molecule depicted above. | |
C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 | InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1 | IQUHNCOJRJBMSU-CQSZACIVSA-N | 2-[4,7-bis(carboxymethyl)-10-[(2R)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid | Look at this molecular image and tell me its SELFIES. Give me only the SELFIES, no additional text. | [C][C@@H1][Branch1][C][O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C@@H1][Branch1][C][O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2] | Look at this molecular image and tell me its {output_rep_type}. | |
COc1cccc2oc3c(Cl)c(O)c([C@H]4CCC[C@@H](C)O4)c(O)c3c(=O)c12 | InChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1 | MWYMVCYBLZZWPG-BXKDBHETSA-N | 4-chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyloxan-2-yl]xanthen-9-one | What is the SMILES of the molecule shown in this image? Just provide the SMILES without any explanation. | COc1cccc2oc3c(Cl)c(O)c([C@H]4CCC[C@@H](C)O4)c(O)c3c(=O)c12 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | COc1cccc2oc3c(Cl)c(O)c([C@H]4CCC[C@@H](C)O4)c(O)c3c(=O)c12 | What is the {output_rep_type} of the molecule shown in this image? | |
O=C(O)c1ccnc(C(=O)O)c1 | InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12) | MJIVRKPEXXHNJT-UHFFFAOYSA-N | pyridine-2,4-dicarboxylic acid | This image contains a molecule; give me its InChI. Return only the InChI representation. | InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12) | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12) | This image contains a molecule; give me its {output_rep_type}. | |
CC(C)C[C@H](N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CC(=O)O)C(=O)O | InChI=1S/C19H27N3O6/c1-11(2)8-13(20)17(25)21-14(9-12-6-4-3-5-7-12)18(26)22-15(19(27)28)10-16(23)24/h3-7,11,13-15H,8-10,20H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t13-,14-,15-/m0/s1 | ZAVCJRJOQKIOJW-KKUMJFAQSA-N | (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid | This image contains a molecule; give me its SMILES. Return only the SMILES representation. | CC(C)C[C@H](N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CC(=O)O)C(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(C)C[C@H](N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CC(=O)O)C(=O)O | This image contains a molecule; give me its {output_rep_type}. | |
Cc1c(N)cc(N)cc1NO | InChI=1S/C7H11N3O/c1-4-6(9)2-5(8)3-7(4)10-11/h2-3,10-11H,8-9H2,1H3 | DAAYGLKRMDTNSS-UHFFFAOYSA-N | N-(3,5-diamino-2-methylphenyl)hydroxylamine | What is the SMILES of the molecule shown in this image? Return only the SMILES representation. | Cc1c(N)cc(N)cc1NO | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | Cc1c(N)cc(N)cc1NO | What is the {output_rep_type} of the molecule shown in this image? | |
CC(O)=NCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O | InChI=1S/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/t16-,20-,21-,... | UEKGDRAHBCQADD-HDRQGHTBSA-N | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-acetamidobutanethioate | Please provide the SELFIES for the molecule depicted above. Output only the SELFIES representation, nothing else. | [C][C][Branch1][C][O][=N][C][C][C][C][=Branch1][C][=O][S][C][C][N][=C][Branch1][C][O][C][C][N][=C][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][O][=N][C][C][C][C][=Branch1][C][=O][S][C][C][N][=C][Branch1][C][O][C][C][N][=C][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][... | Please provide the {output_rep_type} for the molecule depicted above. | |
C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 | InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1 | MBMQEIFVQACCCH-QBODLPLBSA-N | (4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione | What is the SELFIES of the molecule shown in this image? Just provide the SELFIES without any explanation. | [C][C@H1][C][C][C][C][=Branch1][C][=O][C][C][C][/C][=C][/C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][=Branch1] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C@H1][C][C][C][C][=Branch1][C][=O][C][C][C][/C][=C][/C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][=Branch1] | 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 | Extract the SELFIES from this molecular structure image: Give me only the SELFIES, no additional text. | [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] | Extract the {output_rep_type} from this molecular structure 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 | Extract the InChI from this molecular structure image: Please output the InChI representation only. Do not output anything else. | 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 | Extract the {output_rep_type} from this molecular structure image: | |
C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 | InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)/t11-/m1/s1 | QKDHBVNJCZBTMR-LLVKDONJSA-N | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid | Look at this molecular image and tell me its InChI. Just provide the InChI without any explanation. | InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)/t11-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)/t11-/m1/s1 | Look at this molecular image and tell me its {output_rep_type}. | |
CCCCC(O)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] | InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/p-1/b5-4-,10-8-,11-9-,17-14- | JEKNPVYFNMZRJG-UFINWASNSA-M | (5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoate | Convert the molecule in this image to its DeepSMILES. Return only the DeepSMILES representation. | CCCCCO)/C=C\C/C=C\C/C=C\C/C=C\CCCC=O)[O-] | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCCCCO)/C=C\C/C=C\C/C=C\C/C=C\CCCC=O)[O-] | Convert the molecule in this image to its {output_rep_type}. | |
O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1 | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | WPYWMXNXEZFMAK-UHFFFAOYSA-N | 4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid | What is the SELFIES of the molecule shown in this image? Just provide the SELFIES without any explanation. | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring1][P][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring1][P][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] | What is the {output_rep_type} of the molecule shown in this image? | |
CC(C)C(=O)CC(=O)[O-] | InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1 | ZXLSKTZECNUVIS-UHFFFAOYSA-M | 4-methyl-3-oxopentanoate | This image contains a molecule; give me its SMILES. Just provide the SMILES without any explanation. | CC(C)C(=O)CC(=O)[O-] | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(C)C(=O)CC(=O)[O-] | This image contains a molecule; give me its {output_rep_type}. | |
N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)nc1O | InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23) | SVSYJTYGPLVUOZ-UHFFFAOYSA-N | 6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile | This image contains a molecule; give me its SMILES. Output only the SMILES representation, nothing else. | N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)nc1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)nc1O | This image contains a molecule; give me its {output_rep_type}. | |
N[C@@H](CS)C(O)=N[C@H]1[C@@H](OC2[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O | InChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8?,9-,10+,11+,12+,13?,15+/m0/s1 | ZGXSCMBZZVXWGF-GGKYFZEDSA-N | (2R)-2-amino-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide | Please provide the SMILES for the molecule depicted above. Just provide the SMILES without any explanation. | N[C@@H](CS)C(O)=N[C@H]1[C@@H](OC2[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | N[C@@H](CS)C(O)=N[C@H]1[C@@H](OC2[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O | Please provide the {output_rep_type} for the molecule depicted above. | |
CCCCCCC(CCCCCCCCCCC(=O)O)OP(=O)(O)O | InChI=1S/C18H37O6P/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20/h17H,2-16H2,1H3,(H,19,20)(H2,21,22,23) | QZULXZYUVCCXJM-UHFFFAOYSA-N | 12-phosphonooxyoctadecanoic acid | Look at this molecular image and tell me its SELFIES. Just provide the SELFIES without any explanation. | [C][C][C][C][C][C][C][Branch1][S][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][O][P][=Branch1][C][=O][Branch1][C][O][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C][C][C][C][C][Branch1][S][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][O][P][=Branch1][C][=O][Branch1][C][O][O] | Look at this molecular image and tell me its {output_rep_type}. | |
N[C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC(=O)[O-])[C@@H](O)CCCC(=O)[O-])C(=O)O | InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/p-2/b4-2-,5-3-,8-6+,14-10+/t18-,19-,20+/m0/s1 | HVLRBLGTGJGVCX-SKJZCNKWSA-L | null | What is the InChI of the molecule shown in this image? Give me only the InChI, no additional text. | InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/p-2/b4-2-,5-3-,8-6+,14-10+/t18-,19-,20+/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/p-2/b4-2-,5-3-,8-6+,14-10+/t18-,19-,20+/m0/s1 | What is the {output_rep_type} of the molecule shown in this image? | |
O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-] | InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 | SNIOPGDIGTZGOP-UHFFFAOYSA-N | 1,3-dinitrooxypropan-2-yl nitrate | This image contains a molecule; give me its DeepSMILES. Output only the DeepSMILES representation, nothing else. | O=[N+][O-])OCCCO[N+]=O)[O-]))))O[N+]=O)[O-] | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | O=[N+][O-])OCCCO[N+]=O)[O-]))))O[N+]=O)[O-] | This image contains a molecule; give me its {output_rep_type}. | |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)O)C(=O)c1cccc(O)c1C3=O | InChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1 | MMYTYGXIKKVLES-AGMCFEMXSA-N | (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid | Convert the molecule in this image to its SMILES. Please output the SMILES representation only. Do not output anything else. | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)O)C(=O)c1cccc(O)c1C3=O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)O)C(=O)c1cccc(O)c1C3=O | Convert the molecule in this image to its {output_rep_type}. | |
N=C(O)CC[C@H](N=C(O)CCCOc1ccc(Cl)cc1Cl)C(=O)O | InChI=1S/C15H18Cl2N2O5/c16-9-3-5-12(10(17)8-9)24-7-1-2-14(21)19-11(15(22)23)4-6-13(18)20/h3,5,8,11H,1-2,4,6-7H2,(H2,18,20)(H,19,21)(H,22,23)/t11-/m0/s1 | KDJOGNVMKQDCJK-NSHDSACASA-N | (2S)-5-amino-2-[4-(2,4-dichlorophenoxy)butanoylamino]-5-oxopentanoic acid | What is the SMILES of the molecule shown in this image? Please output the SMILES representation only. Do not output anything else. | N=C(O)CC[C@H](N=C(O)CCCOc1ccc(Cl)cc1Cl)C(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | N=C(O)CC[C@H](N=C(O)CCCOc1ccc(Cl)cc1Cl)C(=O)O | What is the {output_rep_type} of the molecule shown in this image? | |
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1[O-] | InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,8+,9-,10-,12+,13-,15?/m1/s1 | PSXWNITXWWECNY-SRPWTXKTSA-L | null | Extract the SELFIES from this molecular structure image: Return only the SELFIES representation. | [C][C][=C][N][Branch2][Branch1][Ring1][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring2][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O][O][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][O][Ring2][Ring1][#Branch2][C][=Branch1][C... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=C][N][Branch2][Branch1][Ring1][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring2][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O][O][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][O][Ring2][Ring1][#Branch2][C][=Branch1][C... | Extract the {output_rep_type} from this molecular structure image: | |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | QYIXCDOBOSTCEI-NWKZBHTNSA-N | (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | Convert the molecule in this image to its SMILES. Return only the SMILES representation. | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | Convert the molecule in this image to its {output_rep_type}. | |
C[C@@]1(O)OC[C@H](O)C1(O)O | InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1 | BVIYGXUQVXBHQS-IUYQGCFVSA-N | (2R,4S)-2-methyloxolane-2,3,3,4-tetrol | What is the DeepSMILES of the molecule shown in this image? Return only the DeepSMILES representation. | C[C@@]O)OC[C@H]O)C5O)O | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | C[C@@]O)OC[C@H]O)C5O)O | What is the {output_rep_type} of the molecule shown in this image? | |
Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N.Cl | InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H | PGSADBUBUOPOJS-UHFFFAOYSA-N | 8-N,8-N,3-trimethylphenazine-2,8-diamine;hydrochloride | Extract the InChI from this molecular structure image: Output only the InChI representation, nothing else. | InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H | Extract the {output_rep_type} from this molecular structure image: | |
Cc1ncc(CO)c(CN)c1O.Cl.Cl | InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H | HNWCOANXZNKMLR-UHFFFAOYSA-N | 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride | Convert the molecule in this image to its SELFIES. Just provide the SELFIES without any explanation. | [C][C][=N][C][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][C][N][=C][Ring1][#Branch2][O].[Cl].[Cl] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=N][C][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][C][N][=C][Ring1][#Branch2][O].[Cl].[Cl] | Convert the molecule in this image to its {output_rep_type}. | |
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCN1C3 | InChI=1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1 | NCVWJDISIZHFQS-CQSZACIVSA-N | (13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine | What is the InChI of the molecule shown in this image? Return only the InChI representation. | InChI=1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1 | What is the {output_rep_type} of the molecule shown in this image? | |
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCCCCCCC(=O)O | InChI=1S/C33H56N7O19P3S/c1-33(2,28(46)31(47)36-14-13-22(41)35-15-16-63-24(44)12-10-8-6-4-3-5-7-9-11-23(42)43)18-56-62(53,54)59-61(51,52)55-17-21-27(58-60(48,49)50)26(45)32(57-21)40-20-39-25-29(34)37-19-38-30(25)40/h19-21,26-28,32,45-46H,3-18H2,1-2H3,(H,35,41)(H,36,47)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50... | AWMCEAXIMVYOKU-HTKIKNFPSA-N | 12-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-12-oxododecanoic acid | Please provide the InChI for the molecule depicted above. Give me only the InChI, no additional text. | InChI=1S/C33H56N7O19P3S/c1-33(2,28(46)31(47)36-14-13-22(41)35-15-16-63-24(44)12-10-8-6-4-3-5-7-9-11-23(42)43)18-56-62(53,54)59-61(51,52)55-17-21-27(58-60(48,49)50)26(45)32(57-21)40-20-39-25-29(34)37-19-38-30(25)40/h19-21,26-28,32,45-46H,3-18H2,1-2H3,(H,35,41)(H,36,47)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50... | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C33H56N7O19P3S/c1-33(2,28(46)31(47)36-14-13-22(41)35-15-16-63-24(44)12-10-8-6-4-3-5-7-9-11-23(42)43)18-56-62(53,54)59-61(51,52)55-17-21-27(58-60(48,49)50)26(45)32(57-21)40-20-39-25-29(34)37-19-38-30(25)40/h19-21,26-28,32,45-46H,3-18H2,1-2H3,(H,35,41)(H,36,47)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50... | Please provide the {output_rep_type} for the molecule depicted above. | |
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1[O-] | InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,8+,9-,10-,12+,13-,15?/m1/s1 | PSXWNITXWWECNY-SRPWTXKTSA-L | null | This image contains a molecule; give me its SMILES. Just provide the SMILES without any explanation. | Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1[O-] | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)(O)OC3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1[O-] | This image contains a molecule; give me its {output_rep_type}. | |
COc1ccc(CC(O)C(=O)c2ccc(OC)cc2O)cc1 | InChI=1S/C17H18O5/c1-21-12-5-3-11(4-6-12)9-16(19)17(20)14-8-7-13(22-2)10-15(14)18/h3-8,10,16,18-19H,9H2,1-2H3 | PPOABILDHKLUET-UHFFFAOYSA-N | 2-hydroxy-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one | What is the SMILES of the molecule shown in this image? Give me only the SMILES, no additional text. | COc1ccc(CC(O)C(=O)c2ccc(OC)cc2O)cc1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | COc1ccc(CC(O)C(=O)c2ccc(OC)cc2O)cc1 | What is the {output_rep_type} of the molecule shown in this image? | |
CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3N=C(C)O)[C@H]2O)[C@@H](CO)O[C@H]1O | InChI=1S/C46H78N2O33/c1-10-21(55)26(60)30(64)42(69-10)78-36-19(47-13(4)53)40(68)72-17(8-51)34(36)76-45-33(67)38(25(59)16(7-50)73-45)80-41-20(48-14(5)54)37(79-43-31(65)27(61)22(56)11(2)70-43)35(18(9-52)75-41)77-46-39(29(63)24(58)15(6-49)74-46)81-44-32(66)28(62)23(57)12(3)71-44/h10-12,15-46,49-52,55-68H,6-9H2,1-5H3,(H,47... | GOYFBGKOMRFQPC-FELDWXRZSA-N | N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxa... | Look at this molecular image and tell me its SMILES. Return only the SMILES representation. | CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3N=C(C)O)[C@H]2O)[C@@H](CO)O[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3N=C(C)O)[C@H]2O)[C@@H](CO)O[C@H]1O | Look at this molecular image and tell me its {output_rep_type}. | |
CC(=O)C1=C(O)C(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)=C(O)C(C)(CC=C(C)C)C1=O | InChI=1S/C28H34O8/c1-13(2)8-9-17-22(31)18(24(33)20(15(5)29)23(17)32)12-19-25(34)21(16(6)30)27(36)28(7,26(19)35)11-10-14(3)4/h8,10,31-35H,9,11-12H2,1-7H3 | IDWYGCPWMNLBEA-UHFFFAOYSA-N | 2-acetyl-4-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one | Convert the molecule in this image to its SELFIES. Give me only the SELFIES, no additional text. | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch2][Ring1][P][C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][S][O][=C][Branch1][C][O][C][Branch1][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Ring2][Ring1... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch2][Ring1][P][C][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][S][O][=C][Branch1][C][O][C][Branch1][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Ring2][Ring1... | Convert the molecule in this image to its {output_rep_type}. | |
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O | InChI=1S/C16H28O14/c17-1-6-9(22)10(23)13(30-15-11(24)7(20)4(18)3-27-15)16(28-6)29-12-8(21)5(19)2-26-14(12)25/h4-25H,1-3H2/t4-,5-,6+,7-,8-,9+,10-,11+,12+,13+,14+,15-,16-/m0/s1 | ZJJINPXXUGFPDA-KNELRGSKSA-N | (2R,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxyoxane-2,4,5-triol | Extract the InChI from this molecular structure image: Just provide the InChI without any explanation. | InChI=1S/C16H28O14/c17-1-6-9(22)10(23)13(30-15-11(24)7(20)4(18)3-27-15)16(28-6)29-12-8(21)5(19)2-26-14(12)25/h4-25H,1-3H2/t4-,5-,6+,7-,8-,9+,10-,11+,12+,13+,14+,15-,16-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C16H28O14/c17-1-6-9(22)10(23)13(30-15-11(24)7(20)4(18)3-27-15)16(28-6)29-12-8(21)5(19)2-26-14(12)25/h4-25H,1-3H2/t4-,5-,6+,7-,8-,9+,10-,11+,12+,13+,14+,15-,16-/m0/s1 | Extract the {output_rep_type} from this molecular structure image: | |
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. Give me only the DeepSMILES, no additional text. | 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}. | |
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)O)C(=O)c1cccc(O)c1C3=O | InChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1 | MMYTYGXIKKVLES-AGMCFEMXSA-N | (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid | This image contains a molecule; give me its SELFIES. Give me only the SELFIES, no additional text. | [C][C][C@@][Branch1][C][O][C][C@H1][Branch2][Ring1][Ring1][O][C@H1][C][C@H1][Branch1][C][N][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][=Branch2][C][=C][Branch1][C][O][C][=C][Branch1][P][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C@@][Branch1][C][O][C][C@H1][Branch2][Ring1][Ring1][O][C@H1][C][C@H1][Branch1][C][N][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][=Branch2][C][=C][Branch1][C][O][C][=C][Branch1][P][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][... | This image contains a molecule; give me its {output_rep_type}. | |
CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3[o+]c2c1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+3] | InChI=1S/C21H27N2O.4ClH.Fe/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;;;;;/h9-15H,5-8H2,1-4H3;4*1H;/q+1;;;;;+3/p-4 | SUVPQRYDMCNTPV-UHFFFAOYSA-J | [6-(diethylamino)xanthen-3-ylidene]-diethylazanium;iron(3+);tetrachloride | What is the SMILES of the molecule shown in this image? Give me only the SMILES, no additional text. | CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3[o+]c2c1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+3] | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3[o+]c2c1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+3] | What is the {output_rep_type} of the molecule shown in this 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 | Convert the molecule in this image to its SMILES. Return only the SMILES representation. | 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 | Convert the molecule in this image to its {output_rep_type}. | |
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2CC1 | InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1 | LHYHMMRYTDARSZ-AJNGGQMLSA-N | (1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol | Extract the InChI from this molecular structure image: Output only the InChI representation, nothing else. | InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1 | Extract the {output_rep_type} from this molecular structure image: | |
O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1 | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | WPYWMXNXEZFMAK-UHFFFAOYSA-N | 4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid | Please provide the SMILES for the molecule depicted above. Give me only the SMILES, no additional text. | O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1 | Please provide the {output_rep_type} for the molecule depicted above. | |
CCCCN=C(O)[C@H](C)N=C(O)Cc1cccs1 | InChI=1S/C13H20N2O2S/c1-3-4-7-14-13(17)10(2)15-12(16)9-11-6-5-8-18-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,14,17)(H,15,16)/t10-/m0/s1 | UTZPXFIXSMUDDR-JTQLQIEISA-N | (2S)-N-butyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide | This image contains a molecule; give me its SELFIES. Please output the SELFIES representation only. Do not output anything else. | [C][C][C][C][N][=C][Branch1][C][O][C@H1][Branch1][C][C][N][=C][Branch1][C][O][C][C][=C][C][=C][S][Ring1][Branch1] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][C][C][N][=C][Branch1][C][O][C@H1][Branch1][C][C][N][=C][Branch1][C][O][C][C][=C][C][=C][S][Ring1][Branch1] | This image contains a molecule; give me its {output_rep_type}. | |
O=C([O-])CN=C(O)c1ccccc1[125I].[Na+] | InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10-2; | XYITYKDGJLHYPW-KYMMBCSGSA-M | sodium 2-[(2-(125I)iodobenzoyl)amino]acetate | Look at this molecular image and tell me its SMILES. Output only the SMILES representation, nothing else. | O=C([O-])CN=C(O)c1ccccc1[125I].[Na+] | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | O=C([O-])CN=C(O)c1ccccc1[125I].[Na+] | Look at this molecular image and tell me its {output_rep_type}. | |
CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3N=C(C)O)[C@@H]2O)[C@... | InChI=1S/C53H88N4O39/c1-13(64)54-25-17(68)5-53(52(82)83,96-43(25)29(70)18(69)6-58)84-12-24-31(72)36(77)38(79)49(90-24)92-41-22(10-62)89-48(28(35(41)76)57-16(4)67)95-45-37(78)30(71)19(7-59)87-51(45)94-44-32(73)20(8-60)86-50(39(44)80)93-42-23(11-63)88-47(27(34(42)75)56-15(3)66)91-40-21(9-61)85-46(81)26(33(40)74)55-14(2)6... | BBSFAMIOKYSQPX-JLTOMZBJSA-N | (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihyd... | This image contains a molecule; give me its SMILES. Please output the SMILES representation only. Do not output anything else. | CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3N=C(C)O)[C@@H]2O)[C@... | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3N=C(C)O)[C@@H]2O)[C@... | This image contains a molecule; give me its {output_rep_type}. | |
CCN=c1nc(Cl)[nH]c(=NCC)[nH]1 | InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) | ODCWYMIRDDJXKW-UHFFFAOYSA-N | 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine | This image contains a molecule; give me its DeepSMILES. Just provide the DeepSMILES without any explanation. | CCN=cncCl)[nH]c=NCC)))[nH]6 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | CCN=cncCl)[nH]c=NCC)))[nH]6 | This image contains a molecule; give me its {output_rep_type}. | |
O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1 | CJGRGYBLAHPYOM-HOLMNUNMSA-N | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate | Look at this molecular image and tell me its SMILES. Return only the SMILES representation. | O=C(/C=C/c1ccccc1)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 | O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | Look at this molecular image and tell me its {output_rep_type}. | |
N=C(NCCC[C@H](N)C(=O)O)NC(CC(=O)[O-])C(=O)O | InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/p-1/t5-,6?/m0/s1 | KDZOASGQNOPSCU-ZBHICJROSA-M | null | What is the SMILES of the molecule shown in this image? Give me only the SMILES, no additional text. | N=C(NCCC[C@H](N)C(=O)O)NC(CC(=O)[O-])C(=O)O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | N=C(NCCC[C@H](N)C(=O)O)NC(CC(=O)[O-])C(=O)O | What is the {output_rep_type} of the molecule shown in this image? | |
O=C([O-])c1c(Cl)ccc2cc(Cl)cnc12 | InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)/p-1 | FFSSWMQPCJRCRV-UHFFFAOYSA-M | 3,7-dichloroquinoline-8-carboxylate | Convert the molecule in this image to its SELFIES. Give me only the SELFIES, no additional text. | [O][=C][Branch1][C][O-1][C][=C][Branch1][C][Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][N][Ring1][#Branch1] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [O][=C][Branch1][C][O-1][C][=C][Branch1][C][Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][N][Ring1][#Branch1] | Convert the molecule in this image to its {output_rep_type}. | |
C/C1=C2\CC[C@@H](C)[C@@H]2CC[C@H](C)[C@H]2C[C@@]3(C)CC[C@H](C(C)C)[C@@H]3C[C@]12O | InChI=1S/C25H42O/c1-15(2)19-11-12-24(6)13-22-17(4)8-9-20-16(3)7-10-21(20)18(5)25(22,26)14-23(19)24/h15-17,19-20,22-23,26H,7-14H2,1-6H3/b21-18-/t16-,17+,19-,20+,22-,23+,24-,25+/m1/s1 | VQMHZILKNHUAMP-AISFCYSSSA-N | (1R,2Z,6R,7S,10S,11R,13R,16R,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-2-en-1-ol | This image contains a molecule; give me its SELFIES. Just provide the SELFIES without any explanation. | [C][/C][=C][\C][C][C@@H1][Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C@H1][Branch1][C][C][C@H1][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Ring1][=Branch2][C][C@][Ring2][Ring1][Branch2][Ring1][=N][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][/C][=C][\C][C][C@@H1][Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C@H1][Branch1][C][C][C@H1][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Ring1][=Branch2][C][C@][Ring2][Ring1][Branch2][Ring1][=N][O] | This image contains a molecule; give me its {output_rep_type}. | |
CCCCNS(=O)(=O)c1ccccc1 | InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3 | IPRJXAGUEGOFGG-UHFFFAOYSA-N | N-butylbenzenesulfonamide | Extract the InChI from this molecular structure image: Please output the InChI representation only. Do not output anything else. | InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3 | Extract the {output_rep_type} from this molecular structure image: | |
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2CC1 | InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1 | LHYHMMRYTDARSZ-AJNGGQMLSA-N | (1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol | This image contains a molecule; give me its SMILES. Just provide the SMILES without any explanation. | CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2CC1 | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2CC1 | This image contains a molecule; give me its {output_rep_type}. | |
CO[C@@H]1[C@@H](OC(=N)O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C | InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | YJQPYGGHQPGBLI-KGSXXDOSSA-N | [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate | This image contains a molecule; give me its InChI. Output only the InChI representation, nothing else. | InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | ocr:mol_image->inchi | ocr | mol_image | inchi | InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | This image contains a molecule; give me its {output_rep_type}. | |
c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1 | InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2 | XUCHXOAWJMEFLF-UHFFFAOYSA-N | 2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane | This image contains a molecule; give me its DeepSMILES. Just provide the DeepSMILES without any explanation. | cccOCCCO3)))))ccc6CccccOCCCO3)))))cc6 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | cccOCCCO3)))))ccc6CccccOCCCO3)))))cc6 | This image contains a molecule; give me its {output_rep_type}. | |
CC(C)=CCc1cc(C(=O)O)cc([O-])c1O | InChI=1S/C12H14O4/c1-7(2)3-4-8-5-9(12(15)16)6-10(13)11(8)14/h3,5-6,13-14H,4H2,1-2H3,(H,15,16)/p-1 | NMAKQSXJWYBYRF-UHFFFAOYSA-M | 4-carboxy-2-hydroxy-6-(3-methylbut-2-enyl)phenolate | What is the SELFIES of the molecule shown in this image? Output only the SELFIES representation, nothing else. | [C][C][Branch1][C][C][=C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][C][O-1][=C][Ring1][#Branch2][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][C][=C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][C][O-1][=C][Ring1][#Branch2][O] | What is the {output_rep_type} of the molecule shown in this 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 | This image contains a molecule; give me its DeepSMILES. Just provide the DeepSMILES without any explanation. | 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 | This image contains a molecule; give me its {output_rep_type}. | |
Cc1c(N)cc(N)cc1NO | InChI=1S/C7H11N3O/c1-4-6(9)2-5(8)3-7(4)10-11/h2-3,10-11H,8-9H2,1H3 | DAAYGLKRMDTNSS-UHFFFAOYSA-N | N-(3,5-diamino-2-methylphenyl)hydroxylamine | Please provide the SELFIES for the molecule depicted above. Give me only the SELFIES, no additional text. | [C][C][=C][Branch1][C][N][C][=C][Branch1][C][N][C][=C][Ring1][Branch2][N][O] | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][=C][Branch1][C][N][C][=C][Branch1][C][N][C][=C][Ring1][Branch2][N][O] | Please provide the {output_rep_type} for the molecule depicted above. | |
CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](CO)O[C@H]1O | InChI=1S/C14H25NO17S2/c1-4(18)15-7-8(19)10(5(2-16)28-13(7)21)30-14-9(20)12(32-34(25,26)27)11(6(3-17)29-14)31-33(22,23)24/h5-14,16-17,19-21H,2-3H2,1H3,(H,15,18)(H,22,23,24)(H,25,26,27)/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14+/m1/s1 | BDEAGLPLJHLHOI-HTOUAXGPSA-N | [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl] hydrogen sulfate | What is the SMILES of the molecule shown in this image? Please output the SMILES representation only. Do not output anything else. | CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](CO)O[C@H]1O | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](CO)O[C@H]1O | What is the {output_rep_type} of the molecule shown in this image? | |
CC(O)=N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@H]3C)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H... | InChI=1S/C51H85N3O38/c1-12-38(43(91-47-35(74)32(71)27(66)18(7-56)83-47)37(76)48(81-12)89-40-20(9-58)82-44(77)34(73)33(40)72)87-49-36(75)42(29(68)19(8-57)84-49)90-46-25(54-15(4)62)31(70)39(21(10-59)85-46)88-45-24(53-14(3)61)30(69)28(67)22(86-45)11-80-51(50(78)79)5-16(63)23(52-13(2)60)41(92-51)26(65)17(64)6-55/h12,16-49,... | PLAHUXXYJQEVHF-IBNOVMMSSA-N | (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-5-hydroxy-2-methyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxa... | Please provide the SELFIES for the molecule depicted above. Output only the SELFIES representation, nothing else. | [C][C][Branch1][C][O][=N][C@H1][C@H1][Branch2][#Branch1][C][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Branch1][=N][O][C@@H1][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C]... | ocr:mol_image->can_selfies | ocr | mol_image | can_selfies | [C][C][Branch1][C][O][=N][C@H1][C@H1][Branch2][#Branch1][C][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Branch1][=N][O][C@@H1][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C]... | Please provide the {output_rep_type} for the molecule depicted above. | |
O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1 | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | WPYWMXNXEZFMAK-UHFFFAOYSA-N | 4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid | What is the DeepSMILES of the molecule shown in this image? Give me only the DeepSMILES, no additional text. | O=CO)CCCCNCCcccccc6OCccccCCcccccc6))))))))cc6))))))))))))))))CccccC=O)O))cc6 | ocr:mol_image->can_deepsmiles | ocr | mol_image | can_deepsmiles | O=CO)CCCCNCCcccccc6OCccccCCcccccc6))))))))cc6))))))))))))))))CccccC=O)O))cc6 | What is the {output_rep_type} of the molecule shown in this image? | |
CC1=CC(=O)C(CC(=O)[O-])C1(C)C | InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1 | UJJNLVMCZZZXFW-UHFFFAOYSA-M | 2-(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate | What is the SMILES of the molecule shown in this image? Please output the SMILES representation only. Do not output anything else. | CC1=CC(=O)C(CC(=O)[O-])C1(C)C | ocr:mol_image->can_smiles | ocr | mol_image | can_smiles | CC1=CC(=O)C(CC(=O)[O-])C1(C)C | What is the {output_rep_type} of the molecule shown in this image? |
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