smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C/C(c1ccnc2ccccc21)=C1/N=CC(c2ccc(N3CCNCC3)cc2)=CN1 ZINC000252286720 568751809 /nfs/dbraw/zinc/75/18/09/568751809.db2.gz FXFWSXFDPAHNQZ-MERYLAAMSA-N 1 3 408.509 3.678 40 10 HHCBHO