smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(C[NH+]2CCCCC2)c(O)c(C[NH+]2CCCCC2)c1 ZINC000001670290 563401739 /nfs/dbraw/zinc/40/17/39/563401739.db2.gz CXQYDSSDDHUEAJ-UHFFFAOYSA-N 2 0 330.516 4.487 40 10 EICBRP CCCc1cc(C[NH+]2CCCCC2)c(O)c(C[NH+]2CCCCC2)c1O ZINC000001701311 563405019 /nfs/dbraw/zinc/40/50/19/563405019.db2.gz NOLJMEANOUVBMU-UHFFFAOYSA-N 2 0 346.515 4.022 40 10 EICBRP