prompt large_stringlengths 594 1.94k | completion stringclasses 2
values | metadata dict |
|---|---|---|
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "025ed5a021cbfffd19b23f90a1bd5bb73f10c372",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "cdb9be065f2ff4af6cc49f9d369655a49504643c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0cd477b935e04d6fd727047df1fa03d6d06c7d21",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0409cb4cd222f1df47eeebcd8e1a6604de2c05be",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "2e22d59347203308b7ba857c4dfc7a64ce2efaf4",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCCC/C=C/C=C/C(=O)NCC(C)C</SMILES>
- known value: ... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "80a687c4e4b5384e4cf2790bc4e0e31704d39810",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CC(=O)NCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2</SMILES>
- known value: 226 um
- assay sys... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "ff80e39c7b07247a33645139360331644794b832",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CC(=O)NC1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccc(Cl)cc2)CC3)CC1</SMILES>
- known value: 198 um
- a... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "d8912f5d013aa40a6a85e8b2c345067bcd129bad",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.um",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "um",
"... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1</SMILES>
- known val... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "18da8cbaa8100070a83799fcc325b85f038dd1a8",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "08daa78a8daf61236d3a2d849f1b13d804e0ff79",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "1f9463566ea641ce8d9e871e9c18595319c4fb4b",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "ug_ml... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "1c12d06a0aae2fc0b1c1023a38685c745b085f9c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O</SMILES>
- k... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "1159bc2edc0b045ca7d834246841553da9b3338f",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>O=C([O-])/C=C/C(=O)[O-].[Ca+2]</SMILES>
- known value... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "1c35ea3b3e9c710b60b1b4f5a8864c6831c423aa",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>O=C(O)c1ccc(O)cc1</SMILES>
- known value: 7 percent
-... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0aa9bb9bd0700da8dfce9141dbd4539d7f6efd52",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_min. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CCOC(=O)C(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1</SMILES>
- known value: 0.0032... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "2fd8d65eade43a876a35582202ba05e5a463e043",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_min",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"unit_b... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1</SMIL... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "87016f9f43598316c77e1ae8caf9c463d4140f6b",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CNC[C@H](O)c1ccc(O)c(O)c1</SMILES>
- known value: 43.... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "1bac5c2d2839bdf973ed3ac5be06d5dcdc5003ba",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "1516ab028b1fdf7364c88e7e5991111ac0634c89",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "00455773d79644e2284536d687df859c9cc14d99",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCCC)... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "2471698739d89e25900b3f7ffd5945280d7f81e0",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "881a6e57f5128f1d38822cf8cbcafd129004c058",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "64467241ab8227547abf3592b6ceb2edf405453a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>N[C@H](Cc1ccccc1)C(=O)O</SMILES>
- known value: 16.8 ... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "19ec4ec1c4e2a4376f9ce5edb567e5a556d2bb35",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1</SMILES>
- known va... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "03e877995961f5b38c4547c75fbd6f828502b868",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC(C)NCC(O)COc1ccc(CCNC(=O)NC(C)C)cc1</SMILES>
- know... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "12daa9f72240625859d28fb3aa41d0afc5cbc98a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC(=O)Nc1ccccc1</SMILES>
- known value: 3.4 percent
-... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "77202b01160d3f591ffa544ed80672e595c5a161",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</SMILES>
-... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "6cc7c3f8035a391ea4c515c2aedeac7bd16733ba",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21</SMILES>
- known val... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "ac4f29acdce823f026e650b56c1218b01308abe9",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "243ca5937a72d3dfc4b60ca53616e2c426e4751e",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)O</SMILES>
- known value: 57... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0181f915c2db2c9bd2a3fbcfb9404955b5b5e267",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CNc1cc(N2CCC3(CC2)CN(c2cc(F)c(CN4CCC(C)(C)CC4)cc2F)CC(=O)N3)ncn1</SMILES>
- known value: 54 um
-... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "403ca1d4058545d52205a86147c93fbd6e3a6d7a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.um",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "um",
"metric_t... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in um. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CC1(C)CCN(Cc2ccc(N3CC(=O)NC4(CCN(c5cc(NCc6ccccc6)ncn5)CC4)C3)cn2)CC1</SMILES>
- known value: 44 ... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "381c0aaabc524c9092bf95b9cb28d71d2ad47b6d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.um",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "um",
"metric_t... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1S... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0a437f261e36eb9b621a3f8d6fc4d8ecc8962993",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1S... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0b77075a583cf14223d6f7e52346d5c04a38f2bf",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1S... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0cc366c262cde50404250f21500e665c43f6d2b6",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is kinetic in ug_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>O=[N+]([O-])c1cn2c(n1)OC(COCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)CC2</SMILES>
- known value: 0.058 ... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "68ecf3520ccd23de594da606056ef1a65949b619",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.kinetic.ug_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "kinetic",
"unit_basis": "ug_ml",
"me... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC1=C2[N]3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "312a01fb72b8a294cb95cd170f16c6fd90597a48",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC1=C2[N]3[C@@H]4[C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "4497f55cfef25dff95986efa7e272c9c46b5db73",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>O=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12</SMILES>
- ... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "15936e4e329498cb187f5f1eed3f2c497f5a6694",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC=C1C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "806f846d5a6140bbb825292b88c0f4f75dbceeb6",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC=C1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "950302f7e53df221ea2c947a7d9d49bd84e68255",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC(C)C(=O)OCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "06be409daf4f9c8dba87aef99b928f0b5c281cb9",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0da4184de7a273b7ccfb4be0bf0db22c4de7ff03",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "1131efaef23f2b34290cfc7e3c47a95470e850c5",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCCCC/C=C\CCCCCCC[14C](=O)O</SMILES>
- known value... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "022d3cd02862f04cea17fb5fb78cc4c91e97aace",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>COc1ccc(/C=C/CCO)cc1OC</SMILES>
- known value: 16.38 1e-6_cm_per_second
- assay sys... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "00a50789f7094c4ef152d0f3cef69c8ae2b51a59",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "fedce07af8b6c9412ea132f74b4b659a73f5073d",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC#CC#CCC/C=C\C=C\C(=O)NCC(C)C</SMILES>
- known value... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "abd4997b646c03dc2b5fea1f8b9a432ab6b6246b",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)O</SMILES>
- known value: 0 ... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "08487e58df2e62eb1808e6ad8dc5f62ecd1ede13",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O</SMILES... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0a4811579fbd5d8f81ea068baad4ac69dd1aec61",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCCCCCCCCCCCC(=O)OCC/C=C/c1ccc(OC)c(OC)c1</SMILES>
- known value: 8.6 1e-6_cm_pe... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "0803dabf351390726714b0e931f6be36eb55443a",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCC/C=C\C/C=C\CCCCCCCC(=O)O</SMILES>
- known value:... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "04051e681fc3020e744d907b5380b083fef86829",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCCCC/C=C\CCCCCCCC(=O)O</SMILES>
- known value: 15... | (B) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "007d7058ec4b0e1b0945d82275f7e8d5570d2129",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is fraction_absorbed in percent. Classify transfer when values are within 10 percentage points / at least 30 percentage points apart.
Molecule A (retrieved measurement)
- <SMILES>CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "11884bb90a3c2a44fbbb19f4bbd7c922ea6d9562",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_absorption.fraction_absorbed.percent",
"endpoint_family": "intestinal_absorption",
"endpoint_subtype": "fracti... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 1e-6_cm_per_second. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC/C=C/c1ccc(OC)c(OC)c1</SMILES>
- known value: 13.94 ... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "03560430dfbad018ada71730b267a3c8c234ff4c",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.1e-6_cm_per_second",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 10_3_cm_s_1. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "a826349b35f1fe22e60c435f9b6fe5f07643e4bf",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.10_3_cm_s_1",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"u... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is peff in 10_3_cm_s_1. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "10630a519b3aa53616b52d950c1ec44a8d07d397",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.intestinal_permeability.peff.10_3_cm_s_1",
"endpoint_family": "intestinal_permeability",
"endpoint_subtype": "peff",
"u... |
You are comparing two molecules for an intestinal absorption (Fa) assay.
The endpoint is equilibrium in mg_ml. Classify transfer when values are within 2-fold / at least 5-fold apart.
Molecule A (retrieved measurement)
- <SMILES>CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](OC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](N)C(C)C)C(C)C... | (A) | {
"schema_version": "assay_transfer_binary_v4_fg_v3",
"candidate_id": "7e807bd589863baa1881dad576882ea3ea68e875",
"split": "train",
"assay_concept": "Fa",
"canonical_endpoint_key": "q2.solubility.equilibrium.mg_ml",
"endpoint_family": "solubility",
"endpoint_subtype": "equilibrium",
"unit_basis": "mg_ml... |
End of preview. Expand in Data Studio
Assay Transfer Intern
Intern-formatted binary assay-transfer classification examples from the same frozen
selection as jiosephlee/assay-transfer.
Each prompt uses one of five concept-specific intern templates. Retrieval and query
structures are rendered from deterministic original source SMILES as
<SMILES>...</SMILES>. Canonical SMILES remain available in metadata for molecular
identity and auditing.
Completions are exactly (A) for transfer and (B) for not transfer.
Splits
| Split | Rows |
|---|---|
| train | 158,429 |
| validation | 1,703 |
| test | 1,703 |
The query side exposes structure only. Query measurements, query assay context, evidence votes, and labels are not rendered in the prompt.
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