smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])[C@H](NCc1ccccc1)c1ccc(Cl)cc1	ZINC000065090418	184310226	/nfs/dbraw/zinc/31/02/26/184310226.db2.gz	URHPWORLJYZZLJ-AWEZNQCLSA-N	-2	3	311.705	3.306	40	0		DGABHL
Cc1[n-][nH]c(=O)c1C(/C=C/c1ccccc1)c1c(C)[n-][nH]c1=O	ZINC000096193461	431941284	/nfs/dbraw/zinc/94/12/84/431941284.db2.gz	AHXHVKOAXHQLPI-CMDGGOBGSA-N	-2	3	310.357	3.006	40	0		DGABHL
O=P([O-])([O-])[C@@H](NCc1ccccc1)c1ccc(Cl)cc1	ZINC000065090417	184310276	/nfs/dbraw/zinc/31/02/76/184310276.db2.gz	URHPWORLJYZZLJ-CQSZACIVSA-N	-2	3	311.705	3.306	40	0		DGABHL
Clc1cccc(C([N-]c2nncs2)[N-]c2nncs2)c1	ZINC000001590497	431232114	/nfs/dbraw/zinc/23/21/14/431232114.db2.gz	MFYRHMLCOUFXFA-UHFFFAOYSA-N	-2	3	324.822	3.266	40	0		DGABHL
Cc1cc2c(=O)cc(-c3ccc([O-])cc3)oc2c(C(=O)[O-])c1C	ZINC000001620489	431232239	/nfs/dbraw/zinc/23/22/39/431232239.db2.gz	WGSGXJHQSGQOFW-UHFFFAOYSA-N	-2	3	310.305	3.481	40	0		DGABHL
O=C([O-])c1cccc(CSc2nnc(-c3ccco3)[n-]2)c1	ZINC000004498461	181115878	/nfs/dbraw/zinc/11/58/78/181115878.db2.gz	MAIUGYIHOJMSLA-UHFFFAOYSA-N	-2	3	301.327	3.055	40	0		DGABHL
O=C([O-])c1cccc(CSc2nc(-c3ccco3)n[n-]2)c1	ZINC000004498461	181115880	/nfs/dbraw/zinc/11/58/80/181115880.db2.gz	MAIUGYIHOJMSLA-UHFFFAOYSA-N	-2	3	301.327	3.055	40	0		DGABHL
O=C([O-])c1cccc(CSc2n[n-]c(-c3ccco3)n2)c1	ZINC000004498461	181115882	/nfs/dbraw/zinc/11/58/82/181115882.db2.gz	MAIUGYIHOJMSLA-UHFFFAOYSA-N	-2	3	301.327	3.055	40	0		DGABHL
CCc1nc(SC(=Cc2c[nH]c3ccccc23)C(=O)[O-])n[n-]1	ZINC000213394854	400945098	/nfs/dbraw/zinc/94/50/98/400945098.db2.gz	DKUQEINZIAASBJ-GHXNOFRVSA-N	-2	3	314.370	3.066	40	0		DGABHL
CCc1nc(SC(=Cc2ccc(SC)cc2)C(=O)[O-])n[n-]1	ZINC000007342418	400102106	/nfs/dbraw/zinc/10/21/06/400102106.db2.gz	YZZGIDPJNATDII-FLIBITNWSA-N	-2	3	321.427	3.307	40	0		DGABHL
CCc1nc(SC(=Cc2ccc(Cl)cc2)C(=O)[O-])n[n-]1	ZINC000007342437	400102190	/nfs/dbraw/zinc/10/21/90/400102190.db2.gz	CEGZTECTIZDLAC-YFHOEESVSA-N	-2	3	309.778	3.238	40	0		DGABHL
COCCn1c(-c2cc3ccccc3cc2[O-])n[n-]c1=S	ZINC000008206239	431384166	/nfs/dbraw/zinc/38/41/66/431384166.db2.gz	YKTCLWYOPQMADD-UHFFFAOYSA-N	-2	3	301.371	3.113	40	0		DGABHL
CCCc1nc(SC(=Cc2ccc(C)cc2)C(=O)[O-])n[n-]1	ZINC000007342262	400102137	/nfs/dbraw/zinc/10/21/37/400102137.db2.gz	VSNHTQRORNPGNQ-XFXZXTDPSA-N	-2	3	303.387	3.283	40	0		DGABHL
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1[O-]	ZINC000076273779	431536709	/nfs/dbraw/zinc/53/67/09/431536709.db2.gz	MYNUHIZGAIKMPZ-UHFFFAOYSA-N	-2	3	307.733	3.365	40	0		DGABHL
CCc1nc(SC(=Cc2ccccc2Cl)C(=O)[O-])n[n-]1	ZINC000007342440	400102099	/nfs/dbraw/zinc/10/20/99/400102099.db2.gz	VBMYOHSZKONFPA-YFHOEESVSA-N	-2	3	309.778	3.238	40	0		DGABHL
CCCc1nc(SC(=Cc2ccc(F)cc2)C(=O)[O-])n[n-]1	ZINC000007342258	400102221	/nfs/dbraw/zinc/10/22/21/400102221.db2.gz	NTVIXWASRMXYIP-FLIBITNWSA-N	-2	3	307.350	3.114	40	0		DGABHL
O=C(c1cc(Cl)c([O-])cc1[O-])c1cc(Cl)c([O-])cc1[O-]	ZINC000245189544	432825319	/nfs/dbraw/zinc/82/53/19/432825319.db2.gz	PQEYXHKVDFWZLP-UHFFFAOYSA-N	-4	3	315.108	3.047	40	0		DGABHL
CCCc1nc(SC(=Cc2sccc2C)C(=O)[O-])n[n-]1	ZINC000007342355	400102481	/nfs/dbraw/zinc/10/24/81/400102481.db2.gz	ZSJFGYZZBHHMHF-YFHOEESVSA-N	-2	3	309.416	3.345	40	0		DGABHL
O=C([O-])c1ccc(CSc2nnc(-c3ccco3)[n-]2)cc1	ZINC000004278155	181091849	/nfs/dbraw/zinc/09/18/49/181091849.db2.gz	LIYZIZRMJOSGGE-UHFFFAOYSA-N	-2	3	301.327	3.055	40	0		DGABHL
O=C([O-])c1ccc(CSc2nc(-c3ccco3)n[n-]2)cc1	ZINC000004278155	181091854	/nfs/dbraw/zinc/09/18/54/181091854.db2.gz	LIYZIZRMJOSGGE-UHFFFAOYSA-N	-2	3	301.327	3.055	40	0		DGABHL
O=C([O-])c1ccc(CSc2n[n-]c(-c3ccco3)n2)cc1	ZINC000004278155	181091856	/nfs/dbraw/zinc/09/18/56/181091856.db2.gz	LIYZIZRMJOSGGE-UHFFFAOYSA-N	-2	3	301.327	3.055	40	0		DGABHL
O=C([O-])c1cccc(NCc2ccc([O-])c(Br)c2)c1	ZINC000058615293	184125080	/nfs/dbraw/zinc/12/50/80/184125080.db2.gz	XHRMZGQSIGOPAV-UHFFFAOYSA-N	-2	3	322.158	3.465	40	0		DGABHL
Cc1cc(S(=O)(=O)c2cc(C)c([O-])c(C)c2)cc(C)c1[O-]	ZINC000000056866	431117788	/nfs/dbraw/zinc/11/77/88/431117788.db2.gz	SUCTVKDVODFXFX-UHFFFAOYSA-N	-2	3	306.383	3.164	40	0		DGABHL