smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000100148658	570308182	/nfs/dbraw/zinc/30/81/82/570308182.db2.gz	IJJPHHRKPRCCQP-SFQUDFHCSA-N	-2	0	388.383	4.172	50	10		GICARL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000022017926	818764292	/nfs/dbraw/zinc/76/42/92/818764292.db2.gz	ZRHUBNBYWSZUGO-VHEBQXMUSA-N	-2	0	392.824	4.202	50	10		GICARL
O=C([O-])CCN(CCC(=O)[O-])c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000072137691	205309559	/nfs/dbraw/zinc/30/95/59/205309559.db2.gz	OAAAXCOHQBODFK-VMPITWQZSA-N	-2	0	390.439	4.161	50	10		GICARL
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1	ZINC000009418533	570557346	/nfs/dbraw/zinc/55/73/46/570557346.db2.gz	YDOMNQMULZPVDG-UHFFFAOYSA-N	-2	0	380.425	4.310	50	10		GICARL
Cc1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)c(S(=O)(=O)[O-])c1	ZINC000004409853	570374021	/nfs/dbraw/zinc/37/40/21/570374021.db2.gz	JYNBEDVXQNFTOX-FMQUCBEESA-N	-2	0	386.385	4.214	50	10	endogenous,in-man	GICARL
O=S(=O)([N-]c1cc(Cl)c([O-])c(Br)c1)c1ccc(Cl)cc1	ZINC000001234491	206368804	/nfs/dbraw/zinc/36/88/04/206368804.db2.gz	ABQVNCMUXWSHAJ-UHFFFAOYSA-N	-2	0	397.077	4.262	50	10		GICARL
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000008738895	570538325	/nfs/dbraw/zinc/53/83/25/570538325.db2.gz	PRTDIYONCVAZCR-FDIDITGRSA-N	-2	0	392.411	4.405	50	10		GICARL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)cc1	ZINC000017028731	570937487	/nfs/dbraw/zinc/93/74/87/570937487.db2.gz	ALGCHAJBAVNCKT-PDGQHHTCSA-N	-2	0	386.363	4.045	50	10		GICARL
Cc1c(Cl)c([O-])c(Cl)c(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004284242	570539963	/nfs/dbraw/zinc/53/99/63/570539963.db2.gz	QQHUVHMYTHDBMH-UHFFFAOYSA-N	-2	0	391.232	4.025	50	10		GICARL
O=C([O-])CCN(CCC(=O)[O-])c1ccc(/C=C\c2ccnc3ccccc23)cc1	ZINC000097475351	570542516	/nfs/dbraw/zinc/54/25/16/570542516.db2.gz	OAAAXCOHQBODFK-YVMONPNESA-N	-2	0	390.439	4.161	50	10		GICARL
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000008738896	221054006	/nfs/dbraw/zinc/05/40/06/221054006.db2.gz	PRTDIYONCVAZCR-CYUIRQCWSA-N	-2	0	392.411	4.405	50	10		GICARL