smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1c(=O)[n-]c(=S)n(-c2ccc(Br)cc2)c1[O-]	ZINC000408742192	447679738	/nfs/dbraw/zinc/67/97/38/447679738.db2.gz	QAFWHFJCNMRYPT-MRVPVSSYSA-N	-2	1	327.159	1.012	40	30		EDEBML
C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2[O-])C(=O)[N-]C1=S	ZINC000224914634	578652325	/nfs/dbraw/zinc/65/23/25/578652325.db2.gz	IHMGYPJIJOHLQX-VQHVLOKHSA-N	-2	1	333.325	1.113	40	30		EDEBML
O=Cc1c(=O)[n-]c(=S)n(-c2ccc(Br)cc2)c1[O-]	ZINC000408742194	447680739	/nfs/dbraw/zinc/68/07/39/447680739.db2.gz	QAFWHFJCNMRYPT-QMMMGPOBSA-N	-2	1	327.159	1.012	40	30		EDEBML
O=C([O-])Cc1sc(NN=CC=Cc2ccccc2[N+](=O)[O-])nc1[O-]	ZINC000015974061	527637035	/nfs/dbraw/zinc/63/70/35/527637035.db2.gz	VHRFBVZBESDMRI-RDDGQXLXSA-N	-2	1	348.340	1.656	40	30		EDEBML
O=C1C=CC(=NNc2cc(Cl)cc(S(=O)(=O)[O-])c2O)C([O-])=C1	ZINC000017417526	441242951	/nfs/dbraw/zinc/24/29/51/441242951.db2.gz	RQIJHLQABPWAQV-ZSOIEALJSA-N	-2	1	344.732	1.641	40	30		EDEBML
O=C([O-])Cc1sc(NN=CC=Cc2ccccc2[N+](=O)[O-])nc1[O-]	ZINC000015974060	527631872	/nfs/dbraw/zinc/63/18/72/527631872.db2.gz	VHRFBVZBESDMRI-ODTPDRFSSA-N	-2	1	348.340	1.656	40	30		EDEBML
O=C([O-])c1ccc(Cl)c(N/N=C2/C(=O)[N-]C(=S)NC2=O)c1	ZINC000038290755	202133463	/nfs/dbraw/zinc/13/34/63/202133463.db2.gz	AUNHFOXAFDTUJQ-UHFFFAOYSA-N	-2	1	326.721	1.177	40	30		EDEBML
O=C([O-])c1ccc(Cl)c(N/N=C2\C(=O)[N-]C(=S)NC2=O)c1	ZINC000038290755	202133465	/nfs/dbraw/zinc/13/34/65/202133465.db2.gz	AUNHFOXAFDTUJQ-UHFFFAOYSA-N	-2	1	326.721	1.177	40	30		EDEBML
C=CCc1cc(C=C2NC(=S)[N-]C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000033315797	441594180	/nfs/dbraw/zinc/59/41/80/441594180.db2.gz	BULPWEIQBWMTCW-IZZDOVSWSA-N	-2	1	348.380	1.644	40	30		EDEBML
C=CCc1cc(C=C2NC(=S)[N-]C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000036542273	213099101	/nfs/dbraw/zinc/09/91/01/213099101.db2.gz	BULPWEIQBWMTCW-WDZFZDKYSA-N	-2	1	348.380	1.644	40	30		EDEBML