smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@@H]2C[C@@H](O)[C@H](C[N+](C)(C)CCCO)O2)c(=O)[nH]c1=O	ZINC000001892251	717090706	/nfs/dbraw/zinc/09/07/06/717090706.db2.gz	UUVDBKUZITWGHR-AGIUHOORSA-O	1	0	328.389	-1.048	1	5		EABFRO
Cc1cn([C@H]2C[C@H](O)[C@@H](C[N+](C)(C)CCCO)O2)c(=O)[nH]c1=O	ZINC000003842438	717097894	/nfs/dbraw/zinc/09/78/94/717097894.db2.gz	UUVDBKUZITWGHR-YNEHKIRRSA-O	1	0	328.389	-1.048	1	5		EABFRO
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CO)OC(C(O)O)=C[C@@H]1[N+](C)(C)C	ZINC000013802912	717109482	/nfs/dbraw/zinc/10/94/82/717109482.db2.gz	QDYQEUOIDZYTQR-NELYUFSOSA-O	1	0	335.377	-3.127	1	5		EABFRO
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(O)O)=C[C@@H]1[N+](C)(C)C	ZINC000013802914	717109177	/nfs/dbraw/zinc/10/91/77/717109177.db2.gz	QDYQEUOIDZYTQR-IINAIABHSA-O	1	0	335.377	-3.127	1	5		EABFRO
C[N+](C)(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000017324710	717113211	/nfs/dbraw/zinc/11/32/11/717113211.db2.gz	JKNAEXBSTWIWCV-QRKAXHLRSA-N	1	0	325.349	-1.783	1	5		EABFRO
C[N+](C)(C)c1nc(N)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000017324712	717112799	/nfs/dbraw/zinc/11/27/99/717112799.db2.gz	JKNAEXBSTWIWCV-WJOUQXRDSA-N	1	0	325.349	-1.783	1	5		EABFRO
Cc1cn([C@@H]2C[C@@H](O)[C@@H](C[N+](C)(C)CCCO)O2)c(=O)[nH]c1=O	ZINC000027075056	717113873	/nfs/dbraw/zinc/11/38/73/717113873.db2.gz	UUVDBKUZITWGHR-UPJWGTAASA-O	1	0	328.389	-1.048	1	5		EABFRO
Cc1cn([C@H]2C[C@@H](O)[C@@H](C[N+](C)(C)CCCO)O2)c(=O)[nH]c1=O	ZINC000027075063	202151366	/nfs/dbraw/zinc/15/13/66/202151366.db2.gz	UUVDBKUZITWGHR-JHJVBQTASA-O	1	0	328.389	-1.048	1	5		EABFRO
Cc1cn([C@@H]2C[C@H](O)[C@@H](C[N+](C)(C)CCCO)O2)c(=O)[nH]c1=O	ZINC000027075069	202151592	/nfs/dbraw/zinc/15/15/92/202151592.db2.gz	UUVDBKUZITWGHR-XQQFMLRXSA-O	1	0	328.389	-1.048	1	5		EABFRO
Cc1cn([C@@H]2C[C@H](O)[C@H](C[N+](C)(C)CCCO)O2)c(=O)[nH]c1=O	ZINC000040700820	717127218	/nfs/dbraw/zinc/12/72/18/717127218.db2.gz	UUVDBKUZITWGHR-AVGNSLFASA-O	1	0	328.389	-1.048	1	5		EABFRO
C[N+](C)(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000105082572	717147697	/nfs/dbraw/zinc/14/76/97/717147697.db2.gz	JKNAEXBSTWIWCV-NNXMZFEESA-N	1	0	325.349	-1.783	1	5		EABFRO
C[N+](C)(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000105082575	717147763	/nfs/dbraw/zinc/14/77/63/717147763.db2.gz	JKNAEXBSTWIWCV-IQEPQDSISA-N	1	0	325.349	-1.783	1	5		EABFRO
C[N+](C)(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000254076627	717169884	/nfs/dbraw/zinc/16/98/84/717169884.db2.gz	JKNAEXBSTWIWCV-WOUKDFQISA-N	1	0	325.349	-1.783	1	5		EABFRO