smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000043356627 563169575 /nfs/dbraw/zinc/16/95/75/563169575.db2.gz YJTIRCNWZUWHDJ-KTKRTIGZSA-N -2 2 499.522 4.532 1 30 JJEFLL CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000043356627 563169576 /nfs/dbraw/zinc/16/95/76/563169576.db2.gz YJTIRCNWZUWHDJ-KTKRTIGZSA-N -2 2 499.522 4.532 1 30 JJEFLL CCCCCCCCCCCCOc1cncc(CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1 ZINC000049881486 563204561 /nfs/dbraw/zinc/20/45/61/563204561.db2.gz QQFXMPQFWVHIMP-UHFFFAOYSA-N -2 2 451.437 4.605 1 30 JJEFLL CCCCCCCCCCCCOc1cncc(CC(P(=O)([O-])O)[P@](=O)([O-])O)c1 ZINC000049881486 563204562 /nfs/dbraw/zinc/20/45/62/563204562.db2.gz QQFXMPQFWVHIMP-UHFFFAOYSA-N -2 2 451.437 4.605 1 30 JJEFLL