smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cn(CCCN2CCN(CCCn3cc(C#N)c(=O)[n-]c3=O)CC2)c(=O)[n-]c1=O	ZINC000019370591	569318974	/nfs/dbraw/zinc/31/89/74/569318974.db2.gz	KZMACHSVSZJBQQ-UHFFFAOYSA-N	-2	1	440.464	-1.772	50	30		IAEAML
Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000025761391	557224940	/nfs/dbraw/zinc/22/49/40/557224940.db2.gz	NVPIJHRHNNQNDN-NKWVEPMBSA-N	-2	1	425.187	-1.084	50	30		IAEAML
Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000025761391	557224937	/nfs/dbraw/zinc/22/49/37/557224937.db2.gz	NVPIJHRHNNQNDN-NKWVEPMBSA-N	-2	1	425.187	-1.084	50	30		IAEAML
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@H](O)[C@@H]21	ZINC000253388142	568920031	/nfs/dbraw/zinc/92/00/31/568920031.db2.gz	ZOSHTZVEWUAHLQ-FRGJHHOQSA-N	-2	1	444.440	-1.131	50	30		IAEAML
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000253388143	568920059	/nfs/dbraw/zinc/92/00/59/568920059.db2.gz	ZOSHTZVEWUAHLQ-FTMUNVGNSA-N	-2	1	444.440	-1.131	50	30		IAEAML
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@H](O)[C@H]21	ZINC000253388144	568920006	/nfs/dbraw/zinc/92/00/06/568920006.db2.gz	ZOSHTZVEWUAHLQ-HXXZSOQJSA-N	-2	1	444.440	-1.131	50	30		IAEAML
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000253388145	568920046	/nfs/dbraw/zinc/92/00/46/568920046.db2.gz	ZOSHTZVEWUAHLQ-ZKJJHSJMSA-N	-2	1	444.440	-1.131	50	30		IAEAML