smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N1CCCc2ccccc21 ZINC000000929903 132234462 /nfs/dbraw/zinc/23/44/62/132234462.db2.gz HSGBUGUUBNFHPF-NRFANRHFSA-N 0 0 433.577 4.801 20 10 IJCDRN Cc1cc(O)cc(C)c1C=C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O ZINC000299861658 569409574 /nfs/dbraw/zinc/40/95/74/569409574.db2.gz LUGQBJDYUPNAQQ-UHFFFAOYSA-N 0 0 440.499 4.584 20 10 IJCDRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N1CCCc2ccccc21 ZINC000000929902 132234528 /nfs/dbraw/zinc/23/45/28/132234528.db2.gz HSGBUGUUBNFHPF-OAQYLSRUSA-N 0 0 433.577 4.801 20 10 IJCDRN