smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(OS(=O)(=O)[O-])cc2oc(-c3ccc(O)cc3)cc(O)c1-2	ZINC000014807611	539605947	/nfs/dbraw/zinc/60/59/47/539605947.db2.gz	UQUHXFINOFUDCC-UHFFFAOYSA-N	-1	2	350.304	2.053	10	0	endogenous,in-man	FEAELM
O=C([O-])c1cc(S(=O)(=O)Nc2nccs2)ccc1Br	ZINC000037300750	208178260	/nfs/dbraw/zinc/17/82/60/208178260.db2.gz	CWZRFYYCNOAWPK-UHFFFAOYSA-N	-1	2	363.214	2.405	10	0		FEAELM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnc(Cl)c(C(=O)[O-])c1	ZINC000079103024	670600607	/nfs/dbraw/zinc/60/06/07/670600607.db2.gz	HJWCFCJUDLFQLZ-UHFFFAOYSA-N	-1	2	371.758	2.451	10	0		FEAELM
CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O	ZINC000245884914	549010452	/nfs/dbraw/zinc/01/04/52/549010452.db2.gz	LPSJNDFMKJGIEN-ZBFHGGJFSA-N	-1	2	358.417	2.416	10	0		FEAELM
CCOCC[N@@H+]1CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)C[C@H]1CC	ZINC000116977307	326045975	/nfs/dbraw/zinc/04/59/75/326045975.db2.gz	HOSPAUIZECFVGD-OAHLLOKOSA-N	-1	2	372.469	2.217	10	0		FEAELM
CCOCC[N@H+]1CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)C[C@H]1CC	ZINC000116977307	326045978	/nfs/dbraw/zinc/04/59/78/326045978.db2.gz	HOSPAUIZECFVGD-OAHLLOKOSA-N	-1	2	372.469	2.217	10	0		FEAELM
C[C@H]1C[N@@H+]([C@H](CNC(=O)c2cccc3n[nH]nc32)c2cccs2)CCO1	ZINC000249764760	549626984	/nfs/dbraw/zinc/62/69/84/549626984.db2.gz	IEFGHKHCZOCAIM-SWLSCSKDSA-N	-1	2	371.466	2.211	10	0		FEAELM
COc1ccc(Cl)cc1C(=O)NCCc1ccc([P@@](=O)([O-])O)cc1	ZINC000097974194	222217763	/nfs/dbraw/zinc/21/77/63/222217763.db2.gz	JBPITJXQKNITNH-UHFFFAOYSA-N	-1	2	369.741	2.124	10	0		FEAELM
COc1ccc(Cl)cc1C(=O)NCCc1ccc([P@](=O)([O-])O)cc1	ZINC000097974194	222217765	/nfs/dbraw/zinc/21/77/65/222217765.db2.gz	JBPITJXQKNITNH-UHFFFAOYSA-N	-1	2	369.741	2.124	10	0		FEAELM
CCc1cc(=O)[nH]c(CN(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1	ZINC000120090958	326229420	/nfs/dbraw/zinc/22/94/20/326229420.db2.gz	HQXCXOYOOYYFNW-HNNXBMFYSA-N	-1	2	362.499	2.311	10	0		FEAELM
O=C([O-])c1cccnc1NS(=O)(=O)c1ccc(Br)cc1	ZINC000006858643	539439871	/nfs/dbraw/zinc/43/98/71/539439871.db2.gz	CFOBBNMZIWRUTF-UHFFFAOYSA-N	-1	2	357.185	2.343	10	0		FEAELM
C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2cccc3n[nH]nc32)c2cccs2)CCO1	ZINC000249764756	549626692	/nfs/dbraw/zinc/62/66/92/549626692.db2.gz	IEFGHKHCZOCAIM-IUODEOHRSA-N	-1	2	371.466	2.211	10	0		FEAELM
c1csc([N-]c2nc(Nc3nccs3)nc(N3CCOCC3)n2)n1	ZINC000028047314	539824642	/nfs/dbraw/zinc/82/46/42/539824642.db2.gz	OOYZRBPKJIIRNH-UHFFFAOYSA-N	-1	2	362.444	2.108	10	0		FEAELM
O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2nccs2)c1	ZINC000034937247	539978461	/nfs/dbraw/zinc/97/84/61/539978461.db2.gz	GCSFTFCEQRTUDJ-UHFFFAOYSA-N	-1	2	363.214	2.405	10	0		FEAELM
C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc(O)cc2O)c2cccs2)CCO1	ZINC000182556443	547513335	/nfs/dbraw/zinc/51/33/35/547513335.db2.gz	OYGCESQGEZVOGV-DOMZBBRYSA-N	-1	2	362.451	2.351	10	0		FEAELM
CCc1cc(=O)[nH]c(CN(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1	ZINC000120091132	326229124	/nfs/dbraw/zinc/22/91/24/326229124.db2.gz	HQXCXOYOOYYFNW-OAHLLOKOSA-N	-1	2	362.499	2.311	10	0		FEAELM
CCOCC[N@@H+]1CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)C[C@@H]1CC	ZINC000116977309	326046097	/nfs/dbraw/zinc/04/60/97/326046097.db2.gz	HOSPAUIZECFVGD-HNNXBMFYSA-N	-1	2	372.469	2.217	10	0		FEAELM
CCOCC[N@H+]1CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)C[C@@H]1CC	ZINC000116977309	326046098	/nfs/dbraw/zinc/04/60/98/326046098.db2.gz	HOSPAUIZECFVGD-HNNXBMFYSA-N	-1	2	372.469	2.217	10	0		FEAELM
CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O	ZINC000245884908	549010425	/nfs/dbraw/zinc/01/04/25/549010425.db2.gz	LPSJNDFMKJGIEN-HOCLYGCPSA-N	-1	2	358.417	2.416	10	0		FEAELM
C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc(O)cc2O)c2cccs2)CCO1	ZINC000182556461	547513447	/nfs/dbraw/zinc/51/34/47/547513447.db2.gz	OYGCESQGEZVOGV-WFASDCNBSA-N	-1	2	362.451	2.351	10	0		FEAELM
O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(F)c(O)c2F)C[C@H]1C(F)(F)F	ZINC000263377757	328936569	/nfs/dbraw/zinc/93/65/69/328936569.db2.gz	BCPVPDGRBVRCFU-PHDIDXHHSA-N	-1	2	357.206	2.145	10	0		FEAELM
O=C([O-])c1cnc(N2CCCC2)c(NS(=O)(=O)c2cccs2)c1	ZINC000064843889	221153304	/nfs/dbraw/zinc/15/33/04/221153304.db2.gz	RWONDQHOUKEXLR-UHFFFAOYSA-N	-1	2	353.425	2.242	10	0		FEAELM