smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)N1CCN(/C=C2\SC(NC(C)=O)=NC2=O)CC1	ZINC000618254959	440089711	/nfs/dbraw/zinc/08/97/11/440089711.db2.gz	LAQIZHSWMKRIBK-NTMALXAHSA-N	-1	0	326.378	0.367	10	10		ECCERM
O=C([O-])C1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](O)C[C@H](O)C1	ZINC000004098723	560196160	/nfs/dbraw/zinc/19/61/60/560196160.db2.gz	IQRPXVABWMLCMZ-LOMYTOQZSA-N	-1	0	338.312	0.383	10	10	in-vitro	ECCERM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000253966638	436848102	/nfs/dbraw/zinc/84/81/02/436848102.db2.gz	GFLQGDFQSKXCKU-SECBINFHSA-N	-1	0	340.390	0.248	10	10		ECCERM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000253966641	436847341	/nfs/dbraw/zinc/84/73/41/436847341.db2.gz	GFLQGDFQSKXCKU-VIFPVBQESA-N	-1	0	340.390	0.248	10	10		ECCERM
O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000004098725	560122439	/nfs/dbraw/zinc/12/24/39/560122439.db2.gz	QMPHZIPNNJOWQI-GDDAOPKQSA-N	-1	0	336.296	0.159	10	10	endogenous,in-man	ECCERM
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccc(N)cc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000004102188	560196603	/nfs/dbraw/zinc/19/66/03/560196603.db2.gz	STWKKPXWUYGWTR-MBNYWOFBSA-N	-1	0	349.412	0.443	10	10	in-vitro	ECCERM
O=C([O-])CNC(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000015036449	436077408	/nfs/dbraw/zinc/07/74/08/436077408.db2.gz	NHNBCRDKMUEPOQ-YWEYNIOJSA-N	-1	0	326.355	0.682	10	10		ECCERM