smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CNc2cc(C(N)=O)cc(C(N)=O)c2)c1 ZINC000013740739 581092165 /nfs/dbraw/zinc/09/21/65/581092165.db2.gz QPJHZNAJHYXNNW-UHFFFAOYSA-N 2 1 408.466 0.682 1 0 HCAFMP