smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)CP(=O)([O-])[O-] 1849690 166368018 /nfs/dbraw/zinc/36/80/18/166368018.db2.gz KKAWRARRTNILEQ-UHFFFAOYSA-N -2 3 196.139 0.506 1 0 ACAFHL CC(C)(CCP(=O)([O-])[O-])C(=O)[O-] 29747211 166394845 /nfs/dbraw/zinc/39/48/45/166394845.db2.gz SCXPEAQTFILILV-UHFFFAOYSA-N -3 3 196.139 0.665 1 0 ACAFHL