smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000179661192 368347056 /nfs/dbraw/zinc/34/70/56/368347056.db2.gz LYTAYDOFWOLUQP-GFCCVEGCSA-N -1 2 283.755 2.491 10 10 CECELM CC(C)c1nnc(C[N@@H+](C)Cc2ccccc2O)n1C ZINC000111235003 364724975 /nfs/dbraw/zinc/72/49/75/364724975.db2.gz UUQDEJHHJVRSQD-UHFFFAOYSA-N -1 2 274.368 2.276 10 10 CECELM