smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(N3CCOCC3)n(CCNC3=[NH+]CCC3)c2c(=O)n(C)c1=O	ZINC000001068187	209294744	/nfs/dbraw/zinc/29/47/44/209294744.db2.gz	SCLBAEKEAMLWLZ-UHFFFAOYSA-N	1	0	375.433	-0.948	50	30		GBEARO
CO[C@@H]1O[C@H](C[NH3+])[C@@H](OS(C)(=O)=O)[C@H](OC)[C@@H]1NC(=O)c1ccccc1	ZINC000006126672	570466663	/nfs/dbraw/zinc/46/66/63/570466663.db2.gz	DFDNDTSGSUBKDG-JTTNIQEDSA-N	1	0	388.442	-0.525	50	30		GBEARO
CO[C@@H]1O[C@H](C[NH3+])[C@@H](OS(C)(=O)=O)[C@H](OC)[C@H]1NC(=O)c1ccccc1	ZINC000006126680	570466766	/nfs/dbraw/zinc/46/67/66/570466766.db2.gz	DFDNDTSGSUBKDG-UTGUJQJDSA-N	1	0	388.442	-0.525	50	30		GBEARO
CO[C@@H]1O[C@H](C[NH3+])[C@@H](OS(C)(=O)=O)[C@@H](OC)[C@@H]1NC(=O)c1ccccc1	ZINC000006126690	570271139	/nfs/dbraw/zinc/27/11/39/570271139.db2.gz	DFDNDTSGSUBKDG-YMSVYLFOSA-N	1	0	388.442	-0.525	50	30		GBEARO
CCn1c(=O)c(C(=O)C[N+]23CCN(CC2)CC3)c(N)n(Cc2ccccc2)c1=O	ZINC000006652087	204189057	/nfs/dbraw/zinc/18/90/57/204189057.db2.gz	VCORMMHBWPISOE-UHFFFAOYSA-O	1	0	398.487	-0.011	50	30		GBEARO
Cn1c(NCCC[NH+]2CCN(c3ncccn3)CC2)c(C#N)c(=O)n(C)c1=O	ZINC000023888340	570334498	/nfs/dbraw/zinc/33/44/98/570334498.db2.gz	UCSROLFIDXTGOL-UHFFFAOYSA-N	1	0	384.444	-0.630	50	30		GBEARO
CNC(=O)[C@@H]1C[C@H](n2cc(CNS(=O)(=O)c3ccc(C#N)cc3)nn2)C[NH2+]1	ZINC000067726161	222157023	/nfs/dbraw/zinc/15/70/23/222157023.db2.gz	AAMTUFCOAZRSBL-ZFWWWQNUSA-N	1	0	389.441	-0.723	50	30		GBEARO
CNC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)c3cccc(C#N)c3)nn2)C[NH2+]1	ZINC000067790340	211020945	/nfs/dbraw/zinc/02/09/45/211020945.db2.gz	DPKZOHKDUZEXEM-HIFRSBDPSA-N	1	0	389.441	-0.723	50	30		GBEARO
CNC(=O)[C@@H]1C[C@@H](n2cc(CNS(=O)(=O)c3ccc(C#N)cc3)nn2)C[NH2+]1	ZINC000067935082	207916750	/nfs/dbraw/zinc/91/67/50/207916750.db2.gz	AAMTUFCOAZRSBL-HIFRSBDPSA-N	1	0	389.441	-0.723	50	30		GBEARO