smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(C[NH2+]C2CCCCC2)cc(Cl)c2ccccc12 ZINC000045209677 175328768 /nfs/dbraw/zinc/32/87/68/175328768.db2.gz YHGRPWKZIHIYEA-UHFFFAOYSA-N 1 1 289.806 4.621 1 10 CJCFMO