smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C(CCCC(=O)[O-])=N[N-]c1nnc(C(F)(F)F)[nH]1	ZINC000584906196	439626632	/nfs/dbraw/zinc/62/66/32/439626632.db2.gz	LIQGAAFPQFPBGX-SOFYXZRVSA-N	-2	0	337.258	1.409	40	30		ECEBRL
O=c1[n-]c(C=CC2=CO[C@H]3C=CCC=C3C2=O)nc([O-])c1[N+](=O)[O-]	ZINC000017067428	436098564	/nfs/dbraw/zinc/09/85/64/436098564.db2.gz	PARNJVILFIKCDT-ROSGPLSXSA-N	-2	0	329.268	0.991	40	30		ECEBRL
C#CC[C@H](CCS(=O)(=O)[O-])O[C@@H](CC#C)CCS(=O)(=O)[O-]	ZINC000055168393	214283775	/nfs/dbraw/zinc/28/37/75/214283775.db2.gz	AVLLQMXKTGHIRF-TXEJJXNPSA-N	-2	0	338.403	0.343	40	30		ECEBRL
CN1C(=O)C(=NNc2ccc(C(=O)[O-])c(Cl)c2)C(=O)N(C)C1=O	ZINC000038290764	213206590	/nfs/dbraw/zinc/20/65/90/213206590.db2.gz	YCIVFDXSENGAQS-UHFFFAOYSA-N	-2	0	338.707	0.857	40	30		ECEBRL
Cc1ccc(S(=O)(=O)[N-]C(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000019418232	202007720	/nfs/dbraw/zinc/00/77/20/202007720.db2.gz	CUJCKXLDNARMGN-UHFFFAOYSA-N	-3	0	330.318	0.069	40	30		ECEBRL
O=c1[n-]c(C=CC2=CO[C@H]3C=CCC=C3C2=O)nc([O-])c1[N+](=O)[O-]	ZINC000017067424	436096703	/nfs/dbraw/zinc/09/67/03/436096703.db2.gz	PARNJVILFIKCDT-QEBMPYFUSA-N	-2	0	329.268	0.991	40	30		ECEBRL
O=C([O-])[C@@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000003020631	304094322	/nfs/dbraw/zinc/09/43/22/304094322.db2.gz	YQRVAWJUGYXNBC-UWTATZPHSA-N	-2	0	333.131	0.719	40	30		ECEBRL
C#CC[C@@H](CCOCC[C@H](CC#C)S(=O)(=O)[O-])S(=O)(=O)[O-]	ZINC000095079754	218274773	/nfs/dbraw/zinc/27/47/73/218274773.db2.gz	HLMFCVJGIVKCNZ-RYUDHWBXSA-N	-2	0	338.403	0.343	40	30		ECEBRL
C#CC[C@H](CCOCC[C@H](CC#C)S(=O)(=O)[O-])S(=O)(=O)[O-]	ZINC000095079752	218273601	/nfs/dbraw/zinc/27/36/01/218273601.db2.gz	HLMFCVJGIVKCNZ-TXEJJXNPSA-N	-2	0	338.403	0.343	40	30		ECEBRL
C#CC[C@@H](CCS(=O)(=O)[O-])O[C@@H](CC#C)CCS(=O)(=O)[O-]	ZINC000055168402	214282651	/nfs/dbraw/zinc/28/26/51/214282651.db2.gz	AVLLQMXKTGHIRF-RYUDHWBXSA-N	-2	0	338.403	0.343	40	30		ECEBRL
O=C([O-])[C@H](CO)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000003020630	435972232	/nfs/dbraw/zinc/97/22/32/435972232.db2.gz	YQRVAWJUGYXNBC-REOHCLBHSA-N	-2	0	333.131	0.719	40	30		ECEBRL
C#CC[C@H](CCOCC[C@@H](CC#C)S(=O)(=O)[O-])S(=O)(=O)[O-]	ZINC000095079753	218274859	/nfs/dbraw/zinc/27/48/59/218274859.db2.gz	HLMFCVJGIVKCNZ-VXGBXAGGSA-N	-2	0	338.403	0.343	40	30		ECEBRL
O=c1[nH][n-]c(C(F)(F)F)c1N=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000005569753	435991062	/nfs/dbraw/zinc/99/10/62/435991062.db2.gz	OPKNAFLGGWRCJO-UHFFFAOYSA-N	-2	0	336.251	0.749	40	30		ECEBRL
O=c1[n-]c(C=CC2=CO[C@@H]3C=CCC=C3C2=O)nc([O-])c1[N+](=O)[O-]	ZINC000017067426	436097355	/nfs/dbraw/zinc/09/73/55/436097355.db2.gz	PARNJVILFIKCDT-GMCFVEKCSA-N	-2	0	329.268	0.991	40	30		ECEBRL
C#CC[C@H](CCS(=O)(=O)[O-])O[C@H](CC#C)CCS(=O)(=O)[O-]	ZINC000055168397	214282548	/nfs/dbraw/zinc/28/25/48/214282548.db2.gz	AVLLQMXKTGHIRF-VXGBXAGGSA-N	-2	0	338.403	0.343	40	30		ECEBRL
O=c1[n-]c(C=CC2=CO[C@@H]3C=CCC=C3C2=O)nc([O-])c1[N+](=O)[O-]	ZINC000017067422	436098547	/nfs/dbraw/zinc/09/85/47/436098547.db2.gz	PARNJVILFIKCDT-FQNVXPIYSA-N	-2	0	329.268	0.991	40	30		ECEBRL