smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(c1ccc([O-])cc1)N1CCC[C@H]2CCCC[C@H]21	ZINC000218041497	527277669	/nfs/dbraw/zinc/27/76/69/527277669.db2.gz	IGNIJULBLPBCRT-IUODEOHRSA-N	-1	3	295.404	2.736	10	70		CFIEHM
C[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])O1	ZINC000159669034	322326253	/nfs/dbraw/zinc/32/62/53/322326253.db2.gz	CCXBPHOLZWZPNL-RDDDGLTNSA-N	-1	3	289.253	2.917	10	70		CFIEHM
C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])O1	ZINC000159655939	524637872	/nfs/dbraw/zinc/63/78/72/524637872.db2.gz	SAEKQGSRRNSJPT-RDDDGLTNSA-N	-1	3	255.701	2.552	10	70		CFIEHM
C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])O1	ZINC000159656324	322326395	/nfs/dbraw/zinc/32/63/95/322326395.db2.gz	SAEKQGSRRNSJPT-CPCISQLKSA-N	-1	3	255.701	2.552	10	70		CFIEHM
C[C@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])O1	ZINC000159669436	322326088	/nfs/dbraw/zinc/32/60/88/322326088.db2.gz	CCXBPHOLZWZPNL-CPCISQLKSA-N	-1	3	289.253	2.917	10	70		CFIEHM
O=S(=O)(c1ccc([O-])cc1)N1CCC[C@@H]2CCCC[C@H]21	ZINC000218041432	304775306	/nfs/dbraw/zinc/77/53/06/304775306.db2.gz	IGNIJULBLPBCRT-SWLSCSKDSA-N	-1	3	295.404	2.736	10	70		CFIEHM
C[C@H]([N-]C(=O)C(F)F)c1ccccc1Br	ZINC000217635143	382787478	/nfs/dbraw/zinc/78/74/78/382787478.db2.gz	IAXJREACFWOBHG-LURJTMIESA-N	-1	3	278.096	2.891	10	70		CFIEHM
C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])O1	ZINC000159656205	322326092	/nfs/dbraw/zinc/32/60/92/322326092.db2.gz	SAEKQGSRRNSJPT-HQJQHLMTSA-N	-1	3	255.701	2.552	10	70		CFIEHM
C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])O1	ZINC000159656070	322326217	/nfs/dbraw/zinc/32/62/17/322326217.db2.gz	SAEKQGSRRNSJPT-WRWORJQWSA-N	-1	3	255.701	2.552	10	70		CFIEHM
C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])O1	ZINC000159669309	322326234	/nfs/dbraw/zinc/32/62/34/322326234.db2.gz	CCXBPHOLZWZPNL-HQJQHLMTSA-N	-1	3	289.253	2.917	10	70		CFIEHM
C[C@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[O-])O1	ZINC000159669170	322326438	/nfs/dbraw/zinc/32/64/38/322326438.db2.gz	CCXBPHOLZWZPNL-WRWORJQWSA-N	-1	3	289.253	2.917	10	70		CFIEHM
C[C@@H]([N-]C(=O)C(F)F)c1ccccc1Br	ZINC000217635045	382787403	/nfs/dbraw/zinc/78/74/03/382787403.db2.gz	IAXJREACFWOBHG-ZCFIWIBFSA-N	-1	3	278.096	2.891	10	70		CFIEHM