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(NCc1ccco1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035870337 569718257 /nfs/dbraw/zinc/71/82/57/569718257.db2.gz QBOQHWQSIZVGOH-ISKFKSNPSA-N 1 1 480.952 4.021 10 5 JIBEMO O=C(NCc1ccco1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035870338 569718316 /nfs/dbraw/zinc/71/83/16/569718316.db2.gz QBOQHWQSIZVGOH-LADGPHEKSA-N 1 1 480.952 4.021 10 5 JIBEMO