smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H](Cc2ccc(O)c(O)c2)C(=O)[O-])cc1 ZINC000001863775 203922651 /nfs/dbraw/zinc/92/26/51/203922651.db2.gz IKSMLHMJHFMLOT-CYBMUJFWSA-N -2 0 394.405 1.090 1 10 GDCFRL CCCCc1c(OC)cc(O)c2c1C(=O)c1[nH+]c(C(=O)[O-])c([O-])c([O-])c1C2=O ZINC000004772320 209190132 /nfs/dbraw/zinc/19/01/32/209190132.db2.gz YGIXUDSUMVVCHC-UHFFFAOYSA-N -2 0 387.344 1.611 1 10 GDCFRL Cn1c2ccccc2c2ccc(C[C@@H](NC[P@@](=O)([O-])O)c3nnn[n-]3)cc21 ZINC000013805004 210091524 /nfs/dbraw/zinc/09/15/24/210091524.db2.gz CVLPLAHWGXBTKP-CQSZACIVSA-N -2 0 386.352 1.853 1 10 GDCFRL Cn1c2ccccc2c2ccc(C[C@H](NC[P@@](=O)([O-])O)c3nnn[n-]3)cc21 ZINC000013805007 221289808 /nfs/dbraw/zinc/28/98/08/221289808.db2.gz CVLPLAHWGXBTKP-AWEZNQCLSA-N -2 0 386.352 1.853 1 10 GDCFRL