smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNC(=O)c1cccc2nc3c(cccc3C(=O)NCC[NH+](C)C)nc21 ZINC000005541375 557660216 /nfs/dbraw/zinc/66/02/16/557660216.db2.gz QRQPYAACCAOZOD-UHFFFAOYSA-N 1 3 408.506 1.366 40 5 HDBBHO