smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[NH2+]c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000005315317 204201744 /nfs/dbraw/zinc/20/17/44/204201744.db2.gz JATOTVFVQYRPDU-UHFFFAOYSA-N 2 2 369.512 7.124 10 10 FKCELP CC[NH+](CC)Cc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1O ZINC000036378506 414980814 /nfs/dbraw/zinc/98/08/14/414980814.db2.gz QGFYFOHMBDMGBZ-UHFFFAOYSA-N 2 2 355.869 5.179 10 10 aggregator,in-man FKCELP