smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(CCNc2cc(C3CC([NH3+])C3)nc(COC)n2)[nH+]c2ccccc21 ZINC000218638480 570338278 /nfs/dbraw/zinc/33/82/78/570338278.db2.gz FXCLMEDEGNEPPS-UHFFFAOYSA-N 2 2 380.496 2.852 50 70 GFIALP O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)oc(C[NH+]2CCCCC2)c1O ZINC000218343731 136203719 /nfs/dbraw/zinc/20/37/19/136203719.db2.gz LNDXDSHXCAKCFS-UHFFFAOYSA-N 2 2 383.492 2.654 50 70 GFIALP