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([O-])c1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1[N+](=O)[O-]	ZINC000003067011	304248295	/nfs/dbraw/zinc/24/82/95/304248295.db2.gz	ZQYNPYSAAJQKPO-UHFFFAOYSA-N	-2	1	336.285	0.120	40	10		ECCBML
O=C([O-])Cn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000004641504	435980600	/nfs/dbraw/zinc/98/06/00/435980600.db2.gz	VWFZFMZOXJEWAC-UHFFFAOYSA-N	-2	1	329.337	0.640	40	10		ECCBML
C[C@@H](Oc1ccccc1C=C1C(=O)[N-]C(=S)N(C)C1=O)C(=O)[O-]	ZINC000409190459	296209195	/nfs/dbraw/zinc/20/91/95/296209195.db2.gz	NYLFPXQALKPYJA-RYGSOJJJSA-N	-2	1	334.353	0.795	40	10		ECCBML
C[C@H](Oc1ccccc1C=C1C(=O)[N-]C(=S)N(C)C1=O)C(=O)[O-]	ZINC000409190460	438583285	/nfs/dbraw/zinc/58/32/85/438583285.db2.gz	NYLFPXQALKPYJA-VKHJRQFRSA-N	-2	1	334.353	0.795	40	10		ECCBML
Nc1nc2[n-]c(N=Nc3ccc(S(=O)(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000017285079	436099429	/nfs/dbraw/zinc/09/94/29/436099429.db2.gz	WLZVIPJWGHVKJK-ZCXUNETKSA-N	-2	1	335.305	0.891	40	10		ECCBML
O=C1[N-]C(=S)NC(=O)/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000016383314	436090821	/nfs/dbraw/zinc/09/08/21/436090821.db2.gz	MPHCLPAOTLUGGP-UHFFFAOYSA-N	-2	1	338.257	0.963	40	10		ECCBML
O=C1[N-]C(=S)NC(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000016383314	436090828	/nfs/dbraw/zinc/09/08/28/436090828.db2.gz	MPHCLPAOTLUGGP-UHFFFAOYSA-N	-2	1	338.257	0.963	40	10		ECCBML
O=C1[N-]C(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000016383314	436090830	/nfs/dbraw/zinc/09/08/30/436090830.db2.gz	MPHCLPAOTLUGGP-UHFFFAOYSA-N	-2	1	338.257	0.963	40	10		ECCBML
Nc1nc(Cl)c(C=C2C(=O)[N-]N(c3ccccc3)C2=O)c(=O)[n-]1	ZINC000005323799	435987021	/nfs/dbraw/zinc/98/70/21/435987021.db2.gz	OKTDGVJYDJMDKJ-TWGQIWQCSA-N	-2	1	331.719	0.467	40	10		ECCBML
CN1C(=O)C(=Cc2cc([N+](=O)[O-])c([O-])cc2[O-])C(=O)N(C)C1=S	ZINC000059139213	436631236	/nfs/dbraw/zinc/63/12/36/436631236.db2.gz	FSEQQFKGSAYZAT-UHFFFAOYSA-N	-2	1	337.313	0.605	40	10		ECCBML