smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC[NH+](C)C)C2 ZINC000049171711 519347313 /nfs/dbraw/zinc/34/73/13/519347313.db2.gz GBGZSFNPAJKUPR-SFTDATJTSA-N 2 0 394.563 2.944 40 30 biogenic,in-vitro GFEBRP