smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[nH]1	ZINC000005544939	295687880	/nfs/dbraw/zinc/68/78/80/295687880.db2.gz	JKOGHSYGGIVPJV-BDXYJKHTSA-N	0	2	323.758	-1.004	40	0		DAABLN
O=C([O-])CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000003010476	372764392	/nfs/dbraw/zinc/76/43/92/372764392.db2.gz	GVCTYSKUHKXJDZ-BDAKNGLRSA-N	0	2	323.309	-2.084	40	0		DAABLN
O=C([O-])CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000003010476	372764402	/nfs/dbraw/zinc/76/44/02/372764402.db2.gz	GVCTYSKUHKXJDZ-BDAKNGLRSA-N	0	2	323.309	-2.084	40	0		DAABLN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1	ZINC000008655924	372771303	/nfs/dbraw/zinc/77/13/03/372771303.db2.gz	VSJOLCXIFHQZRD-DALOQIEPSA-N	0	2	318.286	-3.428	40	0		DAABLN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)[nH]1	ZINC000011592984	372776602	/nfs/dbraw/zinc/77/66/02/372776602.db2.gz	VSJOLCXIFHQZRD-AVIDFEGHSA-N	0	2	318.286	-3.428	40	0		DAABLN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)[nH]1	ZINC000011592983	372776897	/nfs/dbraw/zinc/77/68/97/372776897.db2.gz	VSJOLCXIFHQZRD-IRPHGTLLSA-N	0	2	318.286	-3.428	40	0		DAABLN
Nc1nc(N)c2c([nH+]1)O[C@]1(CCN(C(=O)COCC(=O)[O-])C1)C2	ZINC000257337400	373155802	/nfs/dbraw/zinc/15/58/02/373155802.db2.gz	YSQDEVYQMOBUSE-CYBMUJFWSA-N	0	2	323.309	-1.352	40	0		DAABLN
Nc1nc2c(c(N)[nH+]1)C[C@@]1(CCN(C(=O)COCC(=O)[O-])C1)O2	ZINC000257337400	373155810	/nfs/dbraw/zinc/15/58/10/373155810.db2.gz	YSQDEVYQMOBUSE-CYBMUJFWSA-N	0	2	323.309	-1.352	40	0		DAABLN
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[nH]1	ZINC000005544940	181255440	/nfs/dbraw/zinc/25/54/40/181255440.db2.gz	JKOGHSYGGIVPJV-UUOKFMHZSA-N	0	2	323.758	-1.004	40	0		DAABLN
O=C(Nc1cccc(NC(=O)c2nn[nH]n2)n1)c1nn[nH]n1	ZINC000001583585	372762412	/nfs/dbraw/zinc/76/24/12/372762412.db2.gz	AJTFKMIYTBCMHT-UHFFFAOYSA-N	0	2	301.230	-1.388	40	0		DAABLN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1	ZINC000005545823	295447140	/nfs/dbraw/zinc/44/71/40/295447140.db2.gz	VSJOLCXIFHQZRD-NUPWSADLSA-N	0	2	318.286	-3.428	40	0		DAABLN
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)[nH]1	ZINC000017175466	372781368	/nfs/dbraw/zinc/78/13/68/372781368.db2.gz	JKOGHSYGGIVPJV-FJFJXFQQSA-N	0	2	323.758	-1.004	40	0		DAABLN
CC(C)CC(c1c(O)[nH]c(=O)[nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O	ZINC000005380420	278725598	/nfs/dbraw/zinc/72/55/98/278725598.db2.gz	KZWVXTQQIVGDBS-UHFFFAOYSA-N	0	2	324.293	-1.387	40	0		DAABLN
CCCCC(c1c(O)[nH]c(=O)[nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O	ZINC000005417707	181241318	/nfs/dbraw/zinc/24/13/18/181241318.db2.gz	SBZRUOCGQADPRQ-UHFFFAOYSA-N	0	2	324.293	-1.243	40	0		DAABLN
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(Cl)c(=O)[nH]1	ZINC000017175467	372781263	/nfs/dbraw/zinc/78/12/63/372781263.db2.gz	JKOGHSYGGIVPJV-ICKFSKTQSA-N	0	2	323.758	-1.004	40	0		DAABLN
O=C([O-])CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000003010482	373312759	/nfs/dbraw/zinc/31/27/59/373312759.db2.gz	GVCTYSKUHKXJDZ-IUCAKERBSA-N	0	2	323.309	-2.084	40	0		DAABLN
O=C([O-])CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000003010482	373312767	/nfs/dbraw/zinc/31/27/67/373312767.db2.gz	GVCTYSKUHKXJDZ-IUCAKERBSA-N	0	2	323.309	-2.084	40	0		DAABLN
Nc1nc(N)c2c([nH+]1)O[C@@]1(CCN(C(=O)COCC(=O)[O-])C1)C2	ZINC000257337401	203060825	/nfs/dbraw/zinc/06/08/25/203060825.db2.gz	YSQDEVYQMOBUSE-ZDUSSCGKSA-N	0	2	323.309	-1.352	40	0		DAABLN
Nc1nc2c(c(N)[nH+]1)C[C@]1(CCN(C(=O)COCC(=O)[O-])C1)O2	ZINC000257337401	203060829	/nfs/dbraw/zinc/06/08/29/203060829.db2.gz	YSQDEVYQMOBUSE-ZDUSSCGKSA-N	0	2	323.309	-1.352	40	0		DAABLN
COCCn1c(=O)[nH]c(C(=O)[O-])c(C[NH+]2CCOCC2)c1=O	ZINC000222654260	373085537	/nfs/dbraw/zinc/08/55/37/373085537.db2.gz	BQIONWFZQOJGFO-UHFFFAOYSA-N	0	2	313.310	-1.287	40	0		DAABLN
Cn1c(O)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)n(C)c1=O	ZINC000016188965	373289642	/nfs/dbraw/zinc/28/96/42/373289642.db2.gz	XQHJHJYBWZFTTB-UHFFFAOYSA-N	0	2	322.277	-1.370	40	0		DAABLN