smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	ZINC000001857648	562924960	/nfs/dbraw/zinc/92/49/60/562924960.db2.gz	NGPQAQPGFXJSES-KURKYZTESA-N	-1	3	430.420	1.580	1	5		IDBFHM
C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2cn(C)cc2[N+](=O)[O-])CCN1	ZINC000027099795	563039543	/nfs/dbraw/zinc/03/95/43/563039543.db2.gz	AYQBFFNKMHKNDW-LLVKDONJSA-N	-1	3	429.408	1.873	1	5		IDBFHM
O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	ZINC000005822366	562944864	/nfs/dbraw/zinc/94/48/64/562944864.db2.gz	NGPQAQPGFXJSES-BZSNNMDCSA-N	-1	3	430.420	1.580	1	5		IDBFHM
C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2cn(C)cc2[N+](=O)[O-])CCN1	ZINC000027099799	563039562	/nfs/dbraw/zinc/03/95/62/563039562.db2.gz	AYQBFFNKMHKNDW-NSHDSACASA-N	-1	3	429.408	1.873	1	5		IDBFHM
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCCCC4)c3)cc21	ZINC000001485751	562922174	/nfs/dbraw/zinc/92/21/74/562922174.db2.gz	COZQTFPEKGKCBV-UHFFFAOYSA-N	-1	3	427.417	1.459	1	5		IDBFHM
O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	ZINC000031870804	563083637	/nfs/dbraw/zinc/08/36/37/563083637.db2.gz	NGPQAQPGFXJSES-KSZLIROESA-N	-1	3	430.420	1.580	1	5		IDBFHM
O=c1[n-]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12	ZINC000005822368	562944884	/nfs/dbraw/zinc/94/48/84/562944884.db2.gz	NGPQAQPGFXJSES-SQNIBIBYSA-N	-1	3	430.420	1.580	1	5		IDBFHM
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000026717260	563035552	/nfs/dbraw/zinc/03/55/52/563035552.db2.gz	BORGXOGTGNMBMU-UHFFFAOYSA-N	-1	3	432.502	1.967	1	5		IDBFHM
Cc1cc(C)cc(S(=O)(=O)c2c3cc([N+](=O)[O-])ccc3[n-]c2C(=O)NCC(N)=O)c1	ZINC000040394728	563100561	/nfs/dbraw/zinc/10/05/61/563100561.db2.gz	SDGRGFPPQKHYGI-UHFFFAOYSA-N	-1	3	430.442	1.741	1	5		IDBFHM