smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2cc(NC=C3C(=O)NC(=O)NC3=O)c(N3CCOCC3)cc2n(C)c1=O ZINC000408534291 557320619 /nfs/dbraw/zinc/32/06/19/557320619.db2.gz QDRZTWHSMDTNKV-UHFFFAOYSA-N 0 1 400.395 -0.625 40 10 HBCBMN Cn1c2cc(NC=C3C(=O)NC(=O)N(C)C3=O)c(N3CCOCC3)cc2n(C)c1=O ZINC000408534965 557313440 /nfs/dbraw/zinc/31/34/40/557313440.db2.gz RYPDPURHLVEVJI-ZHACJKMWSA-N 0 1 414.422 -0.282 40 10 HBCBMN