smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(N2CCN(C(=O)CN)CC2=O)cn1 ZINC000161023525 388039206 /nfs/dbraw/zinc/03/92/06/388039206.db2.gz KGPCDXYCDSFBBU-UHFFFAOYSA-N 0 1 237.263 -1.446 50 70 BAIAMN