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-])COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000000476146	206241578	/nfs/dbraw/zinc/24/15/78/206241578.db2.gz	ZMKSATNXFQTDLX-UHFFFAOYSA-N	-2	1	340.744	0.718	50	10		ECCAML
Cn1c2[n-]c(N=NNc3ccc(C(=O)[O-])cc3)nc2c(=O)n(C)c1=O	ZINC000009310175	436035545	/nfs/dbraw/zinc/03/55/45/436035545.db2.gz	ZUOLAFLUPRWPFA-UHFFFAOYSA-N	-2	1	343.303	0.769	50	10		ECCAML
Cn1c2nc(N=NNc3ccc(C(=O)[O-])cc3)nc-2c([O-])n(C)c1=O	ZINC000009310175	436035551	/nfs/dbraw/zinc/03/55/51/436035551.db2.gz	ZUOLAFLUPRWPFA-UHFFFAOYSA-N	-2	1	343.303	0.769	50	10		ECCAML
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl	ZINC000000452641	435956074	/nfs/dbraw/zinc/95/60/74/435956074.db2.gz	LNFKEDHEOYPXTI-UHFFFAOYSA-N	-2	1	340.744	0.718	50	10		ECCAML
COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1OCC(=O)[O-]	ZINC000004913940	210321034	/nfs/dbraw/zinc/32/10/34/210321034.db2.gz	LYEXSGFOVXCEIT-UHFFFAOYSA-N	-2	1	336.325	0.073	50	10		ECCAML
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)[O-]	ZINC000005023301	210365718	/nfs/dbraw/zinc/36/57/18/210365718.db2.gz	UFJVAPIRHXWKRM-UHFFFAOYSA-N	-2	1	336.325	0.073	50	10		ECCAML
Nc1nc2[n-]c(N=Nc3ccc(S(=O)(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000004430092	435979670	/nfs/dbraw/zinc/97/96/70/435979670.db2.gz	WLZVIPJWGHVKJK-ISLYRVAYSA-N	-2	1	335.305	0.891	50	10		ECCAML
O=C([O-])CC1(CNC=C2C(=O)[N-]C(=S)NC2=O)CCCCC1	ZINC000095346294	218282583	/nfs/dbraw/zinc/28/25/83/218282583.db2.gz	AQZPCLSWZXVKDR-UHFFFAOYSA-N	-2	1	325.390	0.416	50	10		ECCAML
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=S)NC2=O)ccc1Cl	ZINC000018996566	304226165	/nfs/dbraw/zinc/22/61/65/304226165.db2.gz	URYKOWLVOKJACP-UHFFFAOYSA-N	-2	1	325.733	0.865	50	10		ECCAML
CN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)[N-]C1=S	ZINC000000200153	435951485	/nfs/dbraw/zinc/95/14/85/435951485.db2.gz	WWQWYCMMFPGIBJ-IZZDOVSWSA-N	-2	1	343.364	0.982	50	10		ECCAML