smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC#C[P@@H+](C)C(C)C ZINC000584606129 346722922 /nfs/dbraw/zinc/72/29/22/346722922.db2.gz FEHZPSOFTFGDTC-UHFFFAOYSA-N 1 1 198.290 4.438 10 30 AIEEMO C=C[P@H+](CCC(=C)C)C(C)(C)C ZINC000584610468 346727099 /nfs/dbraw/zinc/72/70/99/346727099.db2.gz SBAIMNZUMZZERV-UHFFFAOYSA-N 1 1 184.263 4.377 10 30 AIEEMO