smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)[nH+]2)cc1 ZINC000216850213 521523301 /nfs/dbraw/zinc/52/33/01/521523301.db2.gz OCOUGFQPOXCDQA-UHFFFAOYSA-N 2 2 355.442 2.457 40 70 FEIBLP