smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN[C@@H]1CS(=O)(=O)C[C@@H]1OS(=O)[O-]	ZINC000033941183	304069936	/nfs/dbraw/zinc/06/99/36/304069936.db2.gz	NHPYJUAQIKZWFR-UHNVWZDZSA-N	-2	1	273.288	-2.021	40	0		CAABML
O=C([O-])C[C@@H](C(=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000004212247	304073334	/nfs/dbraw/zinc/07/33/34/304073334.db2.gz	LDTZSTJLVYBEKB-REOHCLBHSA-N	-4	1	292.073	-1.157	40	0	in-man	CAABML
O=C([O-])C[C@H](C(=O)[O-])C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000005131772	304081226	/nfs/dbraw/zinc/08/12/26/304081226.db2.gz	LDTZSTJLVYBEKB-UWTATZPHSA-N	-4	1	292.073	-1.157	40	0	in-man	CAABML
O=C([O-])C[C@H](NC(=O)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000001563934	304081800	/nfs/dbraw/zinc/08/18/00/304081800.db2.gz	ZZKNRXZVGOYGJT-VKHMYHEASA-N	-3	1	255.119	-1.792	40	0	investigational	CAABML
O=C([O-])CN[C@@H]1CS(=O)(=O)C[C@H]1OS(=O)[O-]	ZINC000033941181	304069789	/nfs/dbraw/zinc/06/97/89/304069789.db2.gz	NHPYJUAQIKZWFR-RFZPGFLSSA-N	-2	1	273.288	-2.021	40	0		CAABML
C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000002561000	372761913	/nfs/dbraw/zinc/76/19/13/372761913.db2.gz	RLFSBAPJTYKSLG-WHFBIAKZSA-N	-2	1	261.234	-2.506	40	0		CAABML
Nc1ccn(C[C@H](CO)OCP(=O)([O-])[O-])c(=O)n1	ZINC000028762983	372804311	/nfs/dbraw/zinc/80/43/11/372804311.db2.gz	VWFCHDSQECPREK-ZCFIWIBFSA-N	-2	1	279.189	-1.662	40	0	in-man	CAABML
O=C([O-])CN[C@H]1CS(=O)(=O)C[C@H]1OS(=O)[O-]	ZINC000033941180	372814542	/nfs/dbraw/zinc/81/45/42/372814542.db2.gz	NHPYJUAQIKZWFR-CRCLSJGQSA-N	-2	1	273.288	-2.021	40	0		CAABML
O=[N+]([O-])Nc1n[n-]c(C2=NC(N=[N+]([O-])[O-])N=N2)n1	ZINC000409415774	373004922	/nfs/dbraw/zinc/00/49/22/373004922.db2.gz	FELWUPKVKNRWJO-UPHRSURJSA-N	-2	1	256.142	-2.039	40	0		CAABML
O=C([O-])C[NH+](CCCS(=O)(=O)[O-])CC(=O)[O-]	ZINC000005113383	170067117	/nfs/dbraw/zinc/06/71/17/170067117.db2.gz	CYENWLQMKHLYKF-UHFFFAOYSA-N	-2	1	255.248	-1.265	40	0	in-vitro	CAABML
NN=c1[nH]c([N-][N+](=O)[O-])nc2n[n-]c(=N[N+](=O)[O-])n21	ZINC000227149422	303219965	/nfs/dbraw/zinc/21/99/65/303219965.db2.gz	AGTSXAWCYROBQC-UHFFFAOYSA-N	-2	1	271.157	-3.144	40	0		CAABML
O=C([O-])C[C@@H](NC(=O)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000001756826	304074046	/nfs/dbraw/zinc/07/40/46/304074046.db2.gz	ZZKNRXZVGOYGJT-GSVOUGTGSA-N	-3	1	255.119	-1.792	40	0	in-man	CAABML
[NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000002561051	372762048	/nfs/dbraw/zinc/76/20/48/372762048.db2.gz	MDCTVRUPVLZSPG-BQBZGAKWSA-N	-2	1	270.245	-1.676	40	0	endogenous,in-man	CAABML
O=C([O-])CN(CCCN1C(=O)C=CC1=O)CC(=O)[O-]	ZINC000039351118	372821695	/nfs/dbraw/zinc/82/16/95/372821695.db2.gz	FREGREMQHCNLKU-UHFFFAOYSA-N	-2	1	270.241	-1.227	40	0		CAABML
O=[N+]([O-])Nc1n[n-]c(C2=NC(N=[N+]([O-])[O-])N=N2)n1	ZINC000409415773	373003796	/nfs/dbraw/zinc/00/37/96/373003796.db2.gz	FELWUPKVKNRWJO-OWOJBTEDSA-N	-2	1	256.142	-2.039	40	0		CAABML
Nc1nc(=O)c(N)c(NCCOCP(=O)([O-])[O-])[nH]1	ZINC000008665825	170344869	/nfs/dbraw/zinc/34/48/69/170344869.db2.gz	OQZJUTCBVYTWKE-UHFFFAOYSA-N	-2	1	279.193	-1.090	40	0		CAABML
NCC(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001576189	303366940	/nfs/dbraw/zinc/36/69/40/303366940.db2.gz	GDOZQTNZPCUARW-YFKPBYRVSA-N	-2	1	261.234	-2.505	40	0		CAABML
NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000002561015	303367496	/nfs/dbraw/zinc/36/74/96/303367496.db2.gz	XTQFHTHIAKKCTM-YFKPBYRVSA-N	-2	1	261.234	-2.505	40	0		CAABML
O=C([O-])CN[C@H]1CS(=O)(=O)C[C@@H]1OS(=O)[O-]	ZINC000033941182	373236985	/nfs/dbraw/zinc/23/69/85/373236985.db2.gz	NHPYJUAQIKZWFR-WHFBIAKZSA-N	-2	1	273.288	-2.021	40	0		CAABML