smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2cc3c(cc2c(=O)n1CC#CCN1CCCCC1)c(=O)n(CC#CCN1CCCCC1)c3=O ZINC000001582351 194128697 /nfs/dbraw/zinc/12/86/97/194128697.db2.gz OTOKHVNJWQHYIV-UHFFFAOYSA-N 0 3 486.572 0.891 40 30 JCEBHN CCOC(=O)C=C(N)NNc1cc(NNC(N)=CC(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016682246 520433480 /nfs/dbraw/zinc/43/34/80/520433480.db2.gz GBGMRXBWWSCKHQ-UHFFFAOYSA-N 0 3 454.400 0.778 40 30 JCEBHN