smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)NCC[NH3+])c2cc1C ZINC000043764013 520209713 /nfs/dbraw/zinc/20/97/13/520209713.db2.gz JYKRDROHTXPORS-QFMPWRQOSA-N 2 2 456.590 4.862 10 5 JJBELP