smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(C(=O)C[NH+]3CCC(Cc4cc(N)nc(C)[nH+]4)CC3)CC2)cc1 ZINC000019758387 556902023 /nfs/dbraw/zinc/90/20/23/556902023.db2.gz PPBAEVQNHBXIDK-UHFFFAOYSA-N 2 1 438.576 1.979 40 10 IDCBMP