smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(C[NH+]2CCOCC2)c(O)cc1C[NH+]1CCOCC1 ZINC000019291861 182113163 /nfs/dbraw/zinc/11/31/63/182113163.db2.gz DGGCIZWVIVXHFR-UHFFFAOYSA-N 2 2 308.378 0.762 50 10 DCCALP Oc1c(C[NH+]2CCOCC2)ccc(C[NH+]2CCOCC2)c1O ZINC000019914059 182164283 /nfs/dbraw/zinc/16/42/83/182164283.db2.gz GXFKEXJQUZXFOS-UHFFFAOYSA-N 2 2 308.378 0.762 50 10 in-vitro DCCALP