smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCO[P@](=O)([O-])OCCCCCCCCCCCC1CCCCC1 ZINC000027876001 717115249 /nfs/dbraw/zinc/11/52/49/717115249.db2.gz JQJOZQDGEGUMNA-UHFFFAOYSA-O 0 1 420.595 6.308 1 5 HKBFMN CC(C)=CCC/C(C)=C/CCc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1O ZINC000033833423 291283895 /nfs/dbraw/zinc/28/38/95/291283895.db2.gz QZJYZYBNDHQCSP-LZYBPNLTSA-N 0 1 418.489 6.729 1 5 biogenic,in-vitro HKBFMN