smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[NH2+][C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514288416 560034810 /nfs/dbraw/zinc/03/48/10/560034810.db2.gz DKWLIICYZCUBNZ-ILWGZMRPSA-N 2 1 451.489 2.451 40 10 biogenic,in-vitro JECBMP