smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCNC1=NC(C)(C)[NH+]=C(NCCCCC)N1 ZINC000049867615 183761172 /nfs/dbraw/zinc/76/11/72/183761172.db2.gz UEWJLJRBUORLPM-UHFFFAOYSA-N 1 3 323.529 3.768 1 30 DHEFHO CCCCCCCCNC1=[NH+]C(C)(C)N=C(NCCCCC)N1 ZINC000049867615 183761173 /nfs/dbraw/zinc/76/11/73/183761173.db2.gz UEWJLJRBUORLPM-UHFFFAOYSA-N 1 3 323.529 3.768 1 30 DHEFHO