smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001914411 132247602 /nfs/dbraw/zinc/24/76/02/132247602.db2.gz YTLBGLWWLYMYAX-UHFFFAOYSA-N 0 2 426.404 2.488 1 5 IEBFLN Cn1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(N3CCN(c4cccc[nH+]4)CC3)c(F)c21 ZINC000028396315 563054733 /nfs/dbraw/zinc/05/47/33/563054733.db2.gz XDERXVKUOOCEPL-UHFFFAOYSA-N 0 2 427.392 2.006 1 5 IEBFLN