smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C(=O)[O-]	ZINC000033323855	570978835	/nfs/dbraw/zinc/97/88/35/570978835.db2.gz	DFAYYATWTQTYMT-YBEGLDIGSA-N	-1	2	394.383	3.517	50	10		GHCALM
Cc1ccc(C)c(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n2)c1	ZINC000012526240	570830846	/nfs/dbraw/zinc/83/08/46/570830846.db2.gz	QJXYTWSTHZBGTE-UHFFFAOYSA-N	-1	2	388.470	3.926	50	10		GHCALM
Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1	ZINC000101113994	570814478	/nfs/dbraw/zinc/81/44/78/570814478.db2.gz	HYZAIDIXTHGUKT-LDADJPATSA-N	-1	2	387.395	3.962	50	10		GHCALM
CC1=NN(c2cccc3ccccc32)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000101113994	570814483	/nfs/dbraw/zinc/81/44/83/570814483.db2.gz	HYZAIDIXTHGUKT-LDADJPATSA-N	-1	2	387.395	3.962	50	10		GHCALM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(C)cc1	ZINC000027532433	855093690	/nfs/dbraw/zinc/09/36/90/855093690.db2.gz	NMWMCICEYSCGNY-UHFFFAOYSA-N	-1	2	380.400	3.562	50	10		GHCALM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(C)cc1	ZINC000027532433	855093695	/nfs/dbraw/zinc/09/36/95/855093695.db2.gz	NMWMCICEYSCGNY-UHFFFAOYSA-N	-1	2	380.400	3.562	50	10		GHCALM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000013548668	570757370	/nfs/dbraw/zinc/75/73/70/570757370.db2.gz	KNKQLZRKIYEEAB-VZUCSPMQSA-N	-1	2	395.173	3.505	50	10		GHCALM
O=C([O-])C1=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O	ZINC000003831490	206261260	/nfs/dbraw/zinc/26/12/60/206261260.db2.gz	NCEXYHBECQHGNR-QZQOTICOSA-N	-1	2	398.400	3.702	50	10	fda	GHCALM
Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)c1	ZINC000020101002	136202515	/nfs/dbraw/zinc/20/25/15/136202515.db2.gz	QJRNXICVMMTENW-YBEGLDIGSA-N	-1	2	378.384	3.817	50	10		GHCALM
CCOc1ccc(C(=O)[O-])cc1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O	ZINC000033417608	210647631	/nfs/dbraw/zinc/64/76/31/210647631.db2.gz	QZIIQOQCENUWDR-PTNGSMBKSA-N	-1	2	394.383	3.599	50	10		GHCALM
Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n2)cc1C	ZINC000012521417	570828378	/nfs/dbraw/zinc/82/83/78/570828378.db2.gz	VWQZROWNTBAQNW-UHFFFAOYSA-N	-1	2	388.470	3.926	50	10		GHCALM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000101141774	570815808	/nfs/dbraw/zinc/81/58/08/570815808.db2.gz	DBXFRMLKCQOUEO-MHWRWJLKSA-N	-1	2	394.387	3.628	50	10		GHCALM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)c1	ZINC000004672589	570819442	/nfs/dbraw/zinc/81/94/42/570819442.db2.gz	BNQUEGZWZRWXQO-SDQBBNPISA-N	-1	2	391.210	3.674	50	10		GHCALM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1	ZINC000003348500	862356607	/nfs/dbraw/zinc/35/66/07/862356607.db2.gz	YIIFDIAZZDHDAM-UHFFFAOYSA-N	-1	2	394.861	3.963	50	10		GHCALM
Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000034238318	570600213	/nfs/dbraw/zinc/60/02/13/570600213.db2.gz	NDCNOZOSQVRTCN-YBEGLDIGSA-N	-1	2	389.367	3.681	50	10		GHCALM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000004704486	570395816	/nfs/dbraw/zinc/39/58/16/570395816.db2.gz	LKUKBMXNOKYYCJ-SDQBBNPISA-N	-1	2	391.210	3.674	50	10		GHCALM