smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@@H]2[NH2+][C@](Cc3c[nH+]c[nH]3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]23)c1O	ZINC000100130647	569753434	/nfs/dbraw/zinc/75/34/34/569753434.db2.gz	ZXWDWYSITBIUGA-LYXWCMDISA-N	-1	2	496.907	2.294	50	10		JECALM
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)s1	ZINC000103877279	569838707	/nfs/dbraw/zinc/83/87/07/569838707.db2.gz	JUEHSVKZYVNCMJ-FOWTUZBSSA-N	-1	2	498.546	2.480	50	10		JECALM
COc1cccc([C@@H]2[NH2+][C@](Cc3c[nH]c[nH+]3)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]23)c1O	ZINC000247946732	570071583	/nfs/dbraw/zinc/07/15/83/570071583.db2.gz	ZXWDWYSITBIUGA-FVJVTNMWSA-N	-1	2	496.907	2.294	50	10		JECALM
COc1c(O)c(CN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000238900852	570047616	/nfs/dbraw/zinc/04/76/16/570047616.db2.gz	KKTNUFPLDSDJOK-BZTQBWJGSA-N	-1	2	627.090	2.360	50	10		JECALM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000009259816	521963783	/nfs/dbraw/zinc/96/37/83/521963783.db2.gz	KNJIISQSCKRPMN-UUILKARUSA-N	-1	2	474.809	2.207	50	10		JECALM
COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000032669157	556467601	/nfs/dbraw/zinc/46/76/01/556467601.db2.gz	YMSLEMXVOLZCLB-OQLLNIDSSA-N	-1	2	454.391	2.452	50	10		JECALM
O=C([N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1)c1ccccc1	ZINC000018198393	556305274	/nfs/dbraw/zinc/30/52/74/556305274.db2.gz	YBXUOLCKFWGGFH-UHFFFAOYSA-N	-1	2	458.477	2.142	50	10		JECALM
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)s1	ZINC000008424757	554579800	/nfs/dbraw/zinc/57/98/00/554579800.db2.gz	JUEHSVKZYVNCMJ-VBKFSLOCSA-N	-1	2	498.546	2.480	50	10		JECALM