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(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000029123584 207356473 /nfs/dbraw/zinc/35/64/73/207356473.db2.gz QBAOBDKNTDWTHR-PVMFERMNSA-N -2 2 380.358 4.477 1 0 GIAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C\CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000029123584 207356475 /nfs/dbraw/zinc/35/64/75/207356475.db2.gz QBAOBDKNTDWTHR-PVMFERMNSA-N -2 2 380.358 4.477 1 0 GIAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000001534685 212249389 /nfs/dbraw/zinc/24/93/89/212249389.db2.gz QBAOBDKNTDWTHR-YFVJMOTDSA-N -2 2 380.358 4.477 1 0 in-vitro GIAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000001534685 212249393 /nfs/dbraw/zinc/24/93/93/212249393.db2.gz QBAOBDKNTDWTHR-YFVJMOTDSA-N -2 2 380.358 4.477 1 0 in-vitro GIAFLL