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(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1[N+](=O)[O-]	ZINC000731558882	1075382431	/nfs/dbraw/zinc/38/24/31/1075382431.db2.gz	LSMMYAMXEKOERG-UHFFFAOYSA-N	-2	0	400.372	1.939	20	30		HDEDRL
O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000728156538	1076349694	/nfs/dbraw/zinc/34/96/94/1076349694.db2.gz	FBRLSCJKYIUIKJ-ALCCZGGFSA-N	-2	0	420.399	1.950	20	30		HDEDRL
O=C([O-])CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)cc1	ZINC000733206504	1076018184	/nfs/dbraw/zinc/01/81/84/1076018184.db2.gz	MGBVUUBIIRWYFR-RUDMXATFSA-N	-2	0	419.411	1.409	20	30		HDEDRL
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1	ZINC000727720828	1076212398	/nfs/dbraw/zinc/21/23/98/1076212398.db2.gz	YUTWRJSYLDVCOG-UHFFFAOYSA-N	-2	0	402.428	1.947	20	30		HDEDRL
Cc1[nH]nc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])c1C#N	ZINC000436921917	1075827830	/nfs/dbraw/zinc/82/78/30/1075827830.db2.gz	VZDHULQKTCQOMP-UHFFFAOYSA-N	-2	0	403.445	2.410	20	30		HDEDRL
CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000611183325	1075869161	/nfs/dbraw/zinc/86/91/61/1075869161.db2.gz	JEEVRMOWPRBZEL-UHFFFAOYSA-N	-2	0	402.479	1.586	20	30		HDEDRL
O=C([O-])CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)cc1	ZINC000733206505	1076018147	/nfs/dbraw/zinc/01/81/47/1076018147.db2.gz	MGBVUUBIIRWYFR-WTKPLQERSA-N	-2	0	419.411	1.409	20	30		HDEDRL
O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000728156539	1076349635	/nfs/dbraw/zinc/34/96/35/1076349635.db2.gz	FBRLSCJKYIUIKJ-FNORWQNLSA-N	-2	0	420.399	1.950	20	30		HDEDRL