smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCN(CCNC(=O)Cc1c[nH]c[nH+]1)CCNC(=O)c1c2ccccc2nc2ccccc21 ZINC000029569464 563107664 /nfs/dbraw/zinc/10/76/64/563107664.db2.gz DSIHGKGXJBMVCR-UHFFFAOYSA-N 2 2 459.554 1.461 1 5 JDBFLP [NH3+]CCN(CCNC(=O)Cc1c[nH+]c[nH]1)CCNC(=O)c1c2ccccc2nc2ccccc21 ZINC000029569464 563107665 /nfs/dbraw/zinc/10/76/65/563107665.db2.gz DSIHGKGXJBMVCR-UHFFFAOYSA-N 2 2 459.554 1.461 1 5 JDBFLP