smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCP(=O)([O-])[O-] 2146815 342970082 /nfs/dbraw/zinc/97/00/82/342970082.db2.gz VAJFLSRDMGNZJY-UHFFFAOYSA-N -2 3 180.184 2.135 40 30 in-vitro AEEBHL N#CC=C([O-])c1cc(Cl)ccc1[O-] 228934560 526443094 /nfs/dbraw/zinc/44/30/94/526443094.db2.gz PATJXCBRJUYFQJ-UHFFFAOYSA-N -2 3 195.605 2.142 40 30 AEEBHL