smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=N[N-]c2nccs2)C(=O)N1	ZINC000000997218	342695674	/nfs/dbraw/zinc/69/56/74/342695674.db2.gz	CBRSVOSQEYUQIL-UHFFFAOYSA-N	-2	1	239.216	-0.723	50	30		BBEAML
CC(=NNc1nc(C)cc(=O)[n-]1)C(=O)[O-]	ZINC000004877351	188156602	/nfs/dbraw/zinc/15/66/02/188156602.db2.gz	WRWMCDGJBXKZQH-WZUFQYTHSA-N	-2	1	210.193	-0.627	50	30	in-vitro	BBEAML
N#CCCN(CC(=O)[O-])C[P@@](=O)([O-])O	ZINC000005479803	181036936	/nfs/dbraw/zinc/03/69/36/181036936.db2.gz	HWXVBJHDMWWTEB-UHFFFAOYSA-N	-2	1	222.137	-0.578	50	30		BBEAML
CCOC(=O)C(C#N)=N[N-]c1nn[n-]n1	ZINC000009434459	170181394	/nfs/dbraw/zinc/18/13/94/170181394.db2.gz	RMXGHRRSAYCDQS-XBXARRHUSA-N	-2	1	209.169	-0.946	50	30		BBEAML
O=c1[nH][n-]c(-c2ccccc2[O-])c1[N+](=O)[O-]	ZINC000100386931	384637818	/nfs/dbraw/zinc/63/78/18/384637818.db2.gz	MVWNPHCNGAUCOY-MRVPVSSYSA-N	-2	1	221.172	-0.129	50	30		BBEAML
O=c1[nH][n-]c(-c2ccccc2[O-])c1[N+](=O)[O-]	ZINC000100386934	384637711	/nfs/dbraw/zinc/63/77/11/384637711.db2.gz	MVWNPHCNGAUCOY-QMMMGPOBSA-N	-2	1	221.172	-0.129	50	30		BBEAML