smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[S@@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000034803940 563087782 /nfs/dbraw/zinc/08/77/82/563087782.db2.gz DNFLWDBIBSLHAH-SANMLTNESA-O -1 2 433.508 4.617 10 30 IJEELM CCCCCCCCCCCCCC[S@@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000034803940 563087783 /nfs/dbraw/zinc/08/77/83/563087783.db2.gz DNFLWDBIBSLHAH-SANMLTNESA-O -1 2 433.508 4.617 10 30 IJEELM CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@@](=O)([O-])O)NC(=O)CCC ZINC000072399567 519986130 /nfs/dbraw/zinc/98/61/30/519986130.db2.gz BVVVVEVXBZVIFX-CQLAPORSSA-N -1 2 449.569 4.999 10 30 in-vitro IJEELM CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@](=O)([O-])O)NC(=O)CCC ZINC000072399567 519986140 /nfs/dbraw/zinc/98/61/40/519986140.db2.gz BVVVVEVXBZVIFX-CQLAPORSSA-N -1 2 449.569 4.999 10 30 in-vitro IJEELM CCCCCCCCCCCCCC[S@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000034803943 563087821 /nfs/dbraw/zinc/08/78/21/563087821.db2.gz DNFLWDBIBSLHAH-AREMUKBSSA-O -1 2 433.508 4.617 10 30 IJEELM CCCCCCCCCCCCCC[S@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000034803943 563087822 /nfs/dbraw/zinc/08/78/22/563087822.db2.gz DNFLWDBIBSLHAH-AREMUKBSSA-O -1 2 433.508 4.617 10 30 IJEELM CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)NC(=O)CCC ZINC000077285520 519986579 /nfs/dbraw/zinc/98/65/79/519986579.db2.gz BVVVVEVXBZVIFX-VLDWQCDLSA-N -1 2 449.569 4.999 10 30 in-vitro IJEELM CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO[P@](=O)([O-])O)NC(=O)CCC ZINC000077285520 519986589 /nfs/dbraw/zinc/98/65/89/519986589.db2.gz BVVVVEVXBZVIFX-VLDWQCDLSA-N -1 2 449.569 4.999 10 30 in-vitro IJEELM