smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[NH+](C)CCCCCC ZINC000004977314 342997489 /nfs/dbraw/zinc/99/74/89/342997489.db2.gz POMGZMHIXYRARC-UHFFFAOYSA-N 1 0 199.382 4.079 50 0 AIAARO CC(C)[PH+](C(C)C)C(C)(C)C ZINC000071771890 166564742 /nfs/dbraw/zinc/56/47/42/166564742.db2.gz OLSMQSZDUXXYAY-UHFFFAOYSA-N 1 0 174.268 4.084 50 0 AIAARO CC(C)[PH+](C(C)(C)C)C(C)(C)C ZINC000091302259 343677508 /nfs/dbraw/zinc/67/75/08/343677508.db2.gz QXTCJLPZCUKMDX-UHFFFAOYSA-N 1 0 188.295 4.474 50 0 AIAARO CC(C)[PH+](C1=CCC=C1)C(C)C ZINC000098074338 343704951 /nfs/dbraw/zinc/70/49/51/343704951.db2.gz PVOZOEVMVWBHIV-UHFFFAOYSA-N 1 0 182.247 4.129 50 0 AIAARO CC(C)[PH+](C(C)C)[C@@H]1C=CCC1 ZINC000238791335 344822411 /nfs/dbraw/zinc/82/24/11/344822411.db2.gz QUOOZNNAYOXRIQ-LLVKDONJSA-N 1 0 184.263 4.004 50 0 AIAARO CC(C)[PH+](C(C)C)[C@H]1C=CCC1 ZINC000238791336 344822437 /nfs/dbraw/zinc/82/24/37/344822437.db2.gz QUOOZNNAYOXRIQ-NSHDSACASA-N 1 0 184.263 4.004 50 0 AIAARO