smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C=[NH+]Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000048555115 554322569 /nfs/dbraw/zinc/32/25/69/554322569.db2.gz HEQCUEYDTMSOGJ-KZSFWESRSA-N 1 2 511.970 2.029 10 30 KEEELO CN(C)c1ccc(C=[NH+]Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000048555120 554322592 /nfs/dbraw/zinc/32/25/92/554322592.db2.gz HEQCUEYDTMSOGJ-FMOWSKJYSA-N 1 2 511.970 2.029 10 30 KEEELO