smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000064844053 569107845 /nfs/dbraw/zinc/10/78/45/569107845.db2.gz LMYGVAIYIRTUKC-UHFFFAOYSA-N -2 0 418.302 3.734 10 0 HHAERL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N(C)Cc2ccccc2)c1 ZINC000064843746 569107694 /nfs/dbraw/zinc/10/76/94/569107694.db2.gz MLXAXXVCYZOGNU-UHFFFAOYSA-N -2 0 411.483 3.525 10 0 HHAERL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCCCCC2)cc1 ZINC000064843792 569107754 /nfs/dbraw/zinc/10/77/54/569107754.db2.gz FNCOTILRKYNSRA-UHFFFAOYSA-N -2 0 403.504 3.523 10 0 HHAERL