smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2c1ccc1ccccc12 ZINC000001000251 342942762 /nfs/dbraw/zinc/94/27/62/342942762.db2.gz DOWJXOHBNXRUOD-UHFFFAOYSA-N 0 0 192.261 4.301 50 5 in-vitro AIBARN Cc1ccc2cc3ccccc3cc2c1 ZINC000001562044 168852828 /nfs/dbraw/zinc/85/28/28/168852828.db2.gz GYMFBYTZOGMSQJ-UHFFFAOYSA-N 0 0 192.261 4.301 50 5 AIBARN Cc1c2ccccc2cc2ccccc21 ZINC000001593348 342949976 /nfs/dbraw/zinc/94/99/76/342949976.db2.gz CPGPAVAKSZHMBP-UHFFFAOYSA-N 0 0 192.261 4.301 50 5 AIBARN Cc1cc2ccccc2c2ccccc12 ZINC000002040242 342968686 /nfs/dbraw/zinc/96/86/86/342968686.db2.gz DALBHIYZSZZWBS-UHFFFAOYSA-N 0 0 192.261 4.301 50 5 AIBARN