smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)c1ccc(Cl)c2c(N)c3ccccc3[nH+]c12 ZINC000027525961 202156144 /nfs/dbraw/zinc/15/61/44/202156144.db2.gz OTMHSPHOQLVJBM-UHFFFAOYSA-N 2 0 342.830 2.915 1 10 EFCFRP