smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]n(-c2cccc(S(=O)(=O)[O-])c2)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000025558261	553809794	/nfs/dbraw/zinc/80/97/94/553809794.db2.gz	VGKHKXLKQJVMER-DQRAZIAOSA-N	-2	2	504.502	3.654	40	10		KHCBLL
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)c1	ZINC000059248543	554386884	/nfs/dbraw/zinc/38/68/84/554386884.db2.gz	COJCITCGPBXPCZ-WSDLNYQXSA-N	-2	2	517.494	3.556	40	10		KHCBLL
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059249002	554387114	/nfs/dbraw/zinc/38/71/14/554387114.db2.gz	KYBNYJQILXRZMT-KEBDBYFISA-N	-2	2	507.886	3.810	40	10		KHCBLL
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)C1=O	ZINC000059249302	554387118	/nfs/dbraw/zinc/38/71/18/554387118.db2.gz	CLSNBTWYLFOJTL-FYJGNVAPSA-N	-2	2	501.495	3.719	40	10		KHCBLL
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059249552	554387183	/nfs/dbraw/zinc/38/71/83/554387183.db2.gz	GDVXDIRHUWUNRI-RGVLZGJSSA-N	-2	2	507.886	3.810	40	10		KHCBLL
Cc1[nH]n(-c2cccc(S(=O)(=O)[O-])c2)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21	ZINC000100048466	554194149	/nfs/dbraw/zinc/19/41/49/554194149.db2.gz	VGKHKXLKQJVMER-QURGRASLSA-N	-2	2	504.502	3.654	40	10		KHCBLL
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000103865748	571367994	/nfs/dbraw/zinc/36/79/94/571367994.db2.gz	FWLVRGHZMXCOMC-KEBDBYFISA-N	-2	2	552.337	3.919	40	10		KHCBLL
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000408816494	1066215660	/nfs/dbraw/zinc/21/56/60/1066215660.db2.gz	LOESKNDOCAFDLV-LPYMAVHISA-N	-2	2	517.494	3.556	40	10		KHCBLL
Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408821025	1066584760	/nfs/dbraw/zinc/58/47/60/1066584760.db2.gz	BOQHBSONWOXETH-WSDLNYQXSA-N	-2	2	501.495	3.774	40	10		KHCBLL
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408846446	1066220574	/nfs/dbraw/zinc/22/05/74/1066220574.db2.gz	JOWCSZHVVZWUQT-WSDLNYQXSA-N	-2	2	501.495	3.774	40	10		KHCBLL
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408857166	1066593478	/nfs/dbraw/zinc/59/34/78/1066593478.db2.gz	SHZNVNZRKLUEHC-CIAFOILYSA-N	-2	2	501.495	3.774	40	10		KHCBLL
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)c(OCC)c1	ZINC000408941144	1066624320	/nfs/dbraw/zinc/62/43/20/1066624320.db2.gz	JWOKFDJQOWNIKC-LPYMAVHISA-N	-2	2	561.547	3.954	40	10		KHCBLL