smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCCCNc1ccnc2c1ccc1c(NCCCCNC(N)=[NH2+])ccnc12 ZINC000045348866 563132106 /nfs/dbraw/zinc/13/21/06/563132106.db2.gz RYHRSBCRKRDZMM-UHFFFAOYSA-N 2 3 436.568 2.133 1 5 IEBFHP