ChemX
Collection
A Collection of Chemistry Datasets for Benchmarking Automated Information Extraction. More info at https://github.com/ai-chem/ChemX • 10 items • Updated
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values | PMID float64 14.6M 14.6M ⌀ | title stringclasses 5
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values | year int64 2k 2.02k | access int64 0 0 | page int64 2 5 | origin stringclasses 2
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|---|---|---|---|---|---|---|---|---|---|---|---|
NS(=O)(=O)c1ccc(Cl)cc1 | 4-Chlorobenzensulfonamide | null | -4,26 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CNS(=O)(=O)c1ccc(Cl)cc1 | 4-Chloro-methylbenzensulfonamide | null | -4,19 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1 | Acebutolol | null | -6,06 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(=O)Nc1nnc(S(N)(=O)=O)s1 | Acetazolamide | null | -6,24 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C=CCc1ccccc1OCC(O)CNC(C)C | Alprenolol | null | -4,54 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 | Atenolol | null | -6,17 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 | Betaxolol | null | -4,57 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | Bevantalol | null | -4,24 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CCc1cccc2cc(C(O)CNC(C)(C)C)oc12 | Bufuralol | null | -4,14 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CCCCO | Butanol | null | -4,12 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl | Chloramphenicol | null | -5,17 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
Clc1cccc(Cl)c1NC1=NCCN1 | Clonidine | null | -4,36 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO | Cortexolone | null | -4,52 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1 | Cromolyn | null | -5,97 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
O=P1(N(CCCl)CCCl)NCCCO1 | Cyclophosphamide | null | -4,95 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO | Desoxycorticosterone | null | -4,4 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | Dexamethasone | null | -5,3 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(=O)OCC(=O)[C@@]1(O)[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 | Dexamethasone acetate | null | -4,43 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | Fluorometholone | null | -4,78 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO | Hydrocortisone | null | -5,07 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)Cc1ccc(C(C)C(=O)O)cc1 | Ibuprofen | null | -4,65 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 | Indomethacin | null | -4,16 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O | Levobunolol | null | -4,78 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CO | Methanol | null | -4,04 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(=O)N=c1sc(S(N)(=O)=O)nn1C | Methazolamide | null | -5,43 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
COCCc1ccc(OCC(O)CNC(C)C)cc1 | Metoprolol | null | -4,63 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2 | Nadolol | null | -6 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C=CCOc1ccccc1OCC(O)CNC(C)C | Oxprenolol | null | -4,6 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | Penbutolol | null | -4,35 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CNC[C@H](O)c1cccc(O)c1 | Phenylephrine | null | -6,03 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | Pilocarpine | null | -4,77 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)NCC(O)COc1cccc2[nH]ccc12 | Pindolol | null | -5 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO | Prednisolone | null | -5,43 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | Prednisolone acetate | null | -4,48 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | Progesterone | null | -4,71 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)NCC(O)COc1cccc2ccccc12 | Propranolol | null | -4,32 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O | Rauwolfine | null | -5,04 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 | Sotalol | null | -5,8 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(=O)NS(=O)(=O)c1ccc(N)cc1 | Sulfacetamide | null | -5,72 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O | Testosterone | null | -4,37 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 | Timolol | null | -4,91 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F | Triamcinolone | null | -4,8 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O | Vidarabine | null | -5,77 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
O | Water | null | -3,82 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | Yohimbine | null | -4,75 | null | 14,609,285 | Prediction of corneal permeability using artificial neural networks | Govi-Verlag Pharmazeutischer Verlag GmbH | 2,003 | 0 | 5 | table 3 |
CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C | fluorometholone | 0,000017 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1 | flurbiprofen | 0,000021 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(C(N)=O)c1ccc(-c2ccccc2)c(F)c1 | Flurbiprofen amide | 0,000022 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
OCC(O)CO | glycerol | 0,0000045 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO | hydrocortisone | 0,0000085 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(C... | inulin | 0,00000055 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1 | labetalol | 0,000014 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(C)(C)NCC(O)COc1cccc2c1CCCC2=O | levobunolol | 0,000029 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
OCC(O)C(O)C(O)C(O)CO | mannitol | 0,0000024 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
Cn1nc(S(N)(=O)=O)sc1=N | methazolamide der | 0,00000078 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
c1ccc(NCNc2ccccc2)cc1 | Methylene dianiline | 0,000025 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(C)CNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl | MK-927 | 0,0000046 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | nadolol | 0,0000014 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(=O)OC1Cc2cccc(OCC(O)CNC(C)(C)C)c2CC1OC(C)=O | nadolol diacetate | 0,0000048 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(C)(C)NCC(O)COc1ccccc1C1CCCC1 | penbutolol | 0,000022 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CNCC(O)c1cccc(O)c1 | phenylephrine | 0,00000094 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CCC1C(=O)OCC1Cc1cncn1C | pilocarpine | 0,000017 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO | prednisolone | 0,0000037 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C | Prednisolone acetate | 0,000033 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CCN(CC)CCOC(=O)c1ccc(N)cc1 | procaine | 0,0000042 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C | progesterone | 0,00002 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O | rauwolfine | 0,0000092 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
COc1ccc(OC)c2c1CCNC2 | SKF 72223 | 0,000049 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CN1CCc2cccc(Cl)c2CC1 | SKF 86466 | 0,000071 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
c1cc2snnc2c2c1CCNC2 | SKF 86607 | 0,000079 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O | sucrose | 0,0000043 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
Nc1ccc(S(N)(=O)=O)cc1 | sulfanilamide | 0,0000005 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
NS(=O)(=O)c1nc2ccccc2[nH]1 | sulfonamide der. 2m | 0,000003 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12 | testosterone | 0,000042 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
CCCCNc1ccc(C(=O)OCCN(C)C)cc1 | tetracaine | 0,0000015 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
NS(=O)(=O)c1nn2c(=Nc3ccccc3)snc2s1 | Thiadiazole der.1n | 0,0000079 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
NS(=O)(=O)c1nn2c(=Nc3cccc(Cl)c3)snc2s1 | Thiadiazole der.2n | 0,000013 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
NS(=O)(=O)c1nn2c(=Nc3ccc(Cl)cc3)snc2s1 | Thiadiazole der.3n | 0,0000083 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
COc1cccc(N=c2snc3sc(S(N)(=O)=O)nn23)c1 | Thiadiazole der.4n | 0,0000045 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
COc1ccc(N=c2snc3sc(S(N)(=O)=O)nn23)cc1 | Thiadiazole der.5n | 0,0000052 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
NS(=O)(=O)c1nn2c(=Nc3ccc(O)cc3)snc2s1 | Thiadiazole der.6n | 0,00000035 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 3 | table 1 |
NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 | Acetazolamide der.1g | 0,0000006 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
C=C(C)CCC(=O)Nc1nnc(S(N)(=O)=O)s1 | Acetazolamide der.2g | 0,00000056 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
CC(=O)N(C)c1nnc(S(N)(=O)=O)s1 | Acetazolamide der.3g | 0,0000023 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
Nc1ccccc1 | aniline | 0,000036 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
CC(=O)Nc1ccc(N)cc1 | Aniline der.1h | 0,0000036 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
CC(=O)c1ccc(N)cc1 | Aniline der.2h | 0,000032 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
NC(=O)c1ccc(N)cc1 | Aniline der.3h | 0,0000017 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
Nc1ccc(CO)cc1 | Aniline der.4h | 0,000017 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
Nc1ccc(CCO)cc1 | Aniline der.5h | 0,00002 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
Nc1ccc(Cl)cc1 | Aniline der.6h | 0,000035 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
CCOc1ccc(N)cc1 | Aniline der.7h | 0,000031 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
CCc1ccc(N)cc1 | Aniline der.8h | 0,000027 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
CC(C)c1ccc(N)cc1 | Aniline der.9h | 0,000024 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
COc1ccc(N)cc1 | Aniline der.10h | 0,000035 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
Cc1ccc(N)cc1 | Aniline der.11h | 0,00003 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 | benzolamide | 0,00000033 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
CC(=O)N(Br)c1nnc(S(N)(=O)=O)s1 | bromacetazolamide | 0,00000042 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl | chloramphenicol | 0,0000068 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1 | chlorzolamide | 0,000018 | null | 10.1021/js9802594 | null | Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye | American Geophysical Union (AGU) | 1,998 | 0 | 2 | table 1 |
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Information about the dataset is detailed in the documentation:
https://ai-chem.github.io/ChemX/overview/datasets_description.html
You can find the Croissant file in our GitHub repository:
https://github.com/ai-chem/ChemX/tree/main/datasets/croissants
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