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)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@H](O)CO[P@@](=O)([O-])O ZINC000004096469 560194065 /nfs/dbraw/zinc/19/40/65/560194065.db2.gz BJLPWUCPFAJINB-UAQSTNRTSA-N -1 2 444.549 5.619 10 0 in-vitro IKAELM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@H](O)CO[P@](=O)([O-])O ZINC000004096469 560194066 /nfs/dbraw/zinc/19/40/66/560194066.db2.gz BJLPWUCPFAJINB-UAQSTNRTSA-N -1 2 444.549 5.619 10 0 in-vitro IKAELM