smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014542830 519287010 /nfs/dbraw/zinc/28/70/10/519287010.db2.gz STUMCZZDSAFQJB-QHCPKHFHSA-N 2 1 447.627 3.417 10 30 IGEEMP