smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000072305089 406880997 /nfs/dbraw/zinc/88/09/97/406880997.db2.gz AAHJOIJSMJIGSW-NSHDSACASA-N -1 3 320.345 1.291 50 30 DDEAHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC000096502814 407273077 /nfs/dbraw/zinc/27/30/77/407273077.db2.gz AYUVHABSFDGJOJ-UHFFFAOYSA-N -1 3 300.767 1.855 50 30 DDEAHM C#CCOc1c(Cl)cc(C=NN2CC(=O)[N-]C2=O)cc1OC ZINC000254799819 407466067 /nfs/dbraw/zinc/46/60/67/407466067.db2.gz MPQIHGNZOWZFMZ-UHFFFAOYSA-N -1 3 321.720 1.246 50 30 DDEAHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1n[nH]c2c1CCCC2 ZINC000126373453 407411899 /nfs/dbraw/zinc/41/18/99/407411899.db2.gz DGAVVKFUNSQIIR-LLVKDONJSA-N -1 3 309.329 1.645 50 30 DDEAHM C[C@]1(c2ccco2)NC(=O)N([N-]C(=O)c2cccc(C#N)c2)C1=O ZINC000021552950 182279860 /nfs/dbraw/zinc/27/98/60/182279860.db2.gz PJTFUXDGABOTFB-MRXNPFEDSA-N -1 3 324.296 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