smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S1(=O)C[C@@H](O)[C@H](NC[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC000217987873 296492946 /nfs/dbraw/zinc/49/29/46/296492946.db2.gz MGBZZIDDRIAMOE-RNWYCLNJSA-N 0 3 257.355 -0.054 40 70 CBIBHN O=S1(=O)C[C@H](NC[C@@H]2C[C@H]3C=C[C@@H]2C3)[C@H](O)C1 ZINC000217987730 285073186 /nfs/dbraw/zinc/07/31/86/285073186.db2.gz MGBZZIDDRIAMOE-KZZRWZIVSA-N 0 3 257.355 -0.054 40 70 CBIBHN O=S1(=O)C[C@H](O)[C@@H](NC[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC000217987801 280352035 /nfs/dbraw/zinc/35/20/35/280352035.db2.gz MGBZZIDDRIAMOE-OSUNSFLBSA-N 0 3 257.355 -0.054 40 70 CBIBHN