smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(C(=O)O)c(=O)c2cc(C#CCOCCCCCC(=O)[O-])ccc21 ZINC000058590740 206210044 /nfs/dbraw/zinc/21/00/44/206210044.db2.gz GOTMWTMJAVTAQE-UHFFFAOYSA-N -1 2 385.416 2.733 1 30 GFEFLM CCCCCCCCCCn1cc[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1 ZINC000095592753 211281169 /nfs/dbraw/zinc/28/11/69/211281169.db2.gz GYTSEUQBLYSXFG-UHFFFAOYSA-O -1 2 397.369 2.598 1 30 in-vitro GFEFLM CCCCCCCCCCn1cc[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1 ZINC000095592753 211281171 /nfs/dbraw/zinc/28/11/71/211281171.db2.gz GYTSEUQBLYSXFG-UHFFFAOYSA-O -1 2 397.369 2.598 1 30 in-vitro GFEFLM