smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CC[n+]1c(C)cc(C=C2Sc3ccccc3N2C)cc1C ZINC000005444971 207100237 /nfs/dbraw/zinc/10/02/37/207100237.db2.gz DGGKNDUJNDETDA-UHFFFAOYSA-N 2 1 368.570 4.574 50 10 FJCAMP