smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCNC1=[NH+]C(C)(C)[NH+]=C(NCCCCCC)N1 ZINC000019332459 202004487 /nfs/dbraw/zinc/00/44/87/202004487.db2.gz UYUMRODGBNTEQN-UHFFFAOYSA-N 2 0 337.556 4.158 1 30 EIEFRP C#CC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CC#C ZINC000027559275 717114814 /nfs/dbraw/zinc/11/48/14/717114814.db2.gz SRMOMBQMTJXQHR-UHFFFAOYSA-N 2 0 334.592 4.307 1 30 EIEFRP