smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C(Nc1ccc2cc3ccccc3[nH+]c2c1)N1CCCC1 ZINC000007098841 563922020 /nfs/dbraw/zinc/92/20/20/563922020.db2.gz BJLKVADKPPXXRB-UHFFFAOYSA-N 1 2 307.422 4.181 40 5 DIBBLO CCN(CC)C(=S)Nc1ccc2cc3ccccc3[nH+]c2c1 ZINC000409189987 257221114 /nfs/dbraw/zinc/22/11/14/257221114.db2.gz PDBLUMRFXUXYMF-UHFFFAOYSA-N 1 2 309.438 4.427 40 5 DIBBLO CC(C)(C)NC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1 ZINC000409190008 257221174 /nfs/dbraw/zinc/22/11/74/257221174.db2.gz PSJVJRVIGOKVAZ-UHFFFAOYSA-N 1 2 309.438 4.473 40 5 DIBBLO