smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NS(=O)(=O)c2ccc(N=Cc3c([O-])c4ccccc4oc3=O)cc2)no1	ZINC000102814963	557393450	/nfs/dbraw/zinc/39/34/50/557393450.db2.gz	ILYQJCRTQCTSOG-WJDWOHSUSA-N	-1	2	425.422	2.882	50	30		IFEALM
COc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000009288071	569519317	/nfs/dbraw/zinc/51/93/17/569519317.db2.gz	CXGZVGMWRIQCOJ-FQIOEHTJSA-N	-1	2	440.481	2.734	50	30		IFEALM
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000009288071	569519318	/nfs/dbraw/zinc/51/93/18/569519318.db2.gz	CXGZVGMWRIQCOJ-FQIOEHTJSA-N	-1	2	440.481	2.734	50	30		IFEALM
COc1cc(C=[NH+][N-]c2nc(O)c(CC(=O)[O-])s2)ccc1OCc1ccc(C)cc1	ZINC000006798250	556104578	/nfs/dbraw/zinc/10/45/78/556104578.db2.gz	KJMAMIQWUQSKNA-QPHXDFOYSA-N	-1	2	427.482	2.979	50	30		IFEALM
COc1ccc([N-]S(=O)(=O)c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)nn1	ZINC000006115907	524690392	/nfs/dbraw/zinc/69/03/92/524690392.db2.gz	MZVOWBGRMOTNOU-YBFXNURJSA-N	-1	2	429.414	2.650	50	30		IFEALM
COc1ccc(/C(C)=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000009288069	569519331	/nfs/dbraw/zinc/51/93/31/569519331.db2.gz	CXGZVGMWRIQCOJ-KZKMUKRCSA-N	-1	2	440.481	2.734	50	30		IFEALM
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000009288069	569519332	/nfs/dbraw/zinc/51/93/32/569519332.db2.gz	CXGZVGMWRIQCOJ-KZKMUKRCSA-N	-1	2	440.481	2.734	50	30		IFEALM
COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000009301981	569520741	/nfs/dbraw/zinc/52/07/41/569520741.db2.gz	AKSDOFFDYWUWFL-WOOAAIBNSA-N	-1	2	440.408	2.890	50	30		IFEALM
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000009301980	569520753	/nfs/dbraw/zinc/52/07/53/569520753.db2.gz	AKSDOFFDYWUWFL-LFVOPCPISA-N	-1	2	440.408	2.890	50	30		IFEALM