smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000354542794 527483549 /nfs/dbraw/zinc/48/35/49/527483549.db2.gz DXOQLEVPRHDZRI-FQEVSTJZSA-N 2 2 294.442 4.620 20 30 CJEDLP C=CCC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000354542803 527447688 /nfs/dbraw/zinc/44/76/88/527447688.db2.gz DXOQLEVPRHDZRI-HXUWFJFHSA-N 2 2 294.442 4.620 20 30 CJEDLP