smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575420415	382103761	/nfs/dbraw/zinc/10/37/61/382103761.db2.gz	HSHGIAOSBZIRQZ-UONOGXRCSA-N	1	2	344.389	-0.063	40	5		EBBBLO
O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575420415	382103768	/nfs/dbraw/zinc/10/37/68/382103768.db2.gz	HSHGIAOSBZIRQZ-UONOGXRCSA-N	1	2	344.389	-0.063	40	5		EBBBLO
O=[N+]([O-])c1ccc(CNCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575419945	382104036	/nfs/dbraw/zinc/10/40/36/382104036.db2.gz	BKKULMLUTBLNDS-OLZOCXBDSA-N	1	2	329.378	-0.568	40	5		EBBBLO
O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575420414	382103535	/nfs/dbraw/zinc/10/35/35/382103535.db2.gz	HSHGIAOSBZIRQZ-KGLIPLIRSA-N	1	2	344.389	-0.063	40	5		EBBBLO
O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575420414	382103539	/nfs/dbraw/zinc/10/35/39/382103539.db2.gz	HSHGIAOSBZIRQZ-KGLIPLIRSA-N	1	2	344.389	-0.063	40	5		EBBBLO
O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575420416	382103196	/nfs/dbraw/zinc/10/31/96/382103196.db2.gz	HSHGIAOSBZIRQZ-ZIAGYGMSSA-N	1	2	344.389	-0.063	40	5		EBBBLO
O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575420416	382103203	/nfs/dbraw/zinc/10/32/03/382103203.db2.gz	HSHGIAOSBZIRQZ-ZIAGYGMSSA-N	1	2	344.389	-0.063	40	5		EBBBLO
O=[N+]([O-])c1ccc(CNCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)cc1	ZINC000575419947	382103485	/nfs/dbraw/zinc/10/34/85/382103485.db2.gz	BKKULMLUTBLNDS-STQMWFEESA-N	1	2	329.378	-0.568	40	5		EBBBLO
O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575420413	382103089	/nfs/dbraw/zinc/10/30/89/382103089.db2.gz	HSHGIAOSBZIRQZ-KBPBESRZSA-N	1	2	344.389	-0.063	40	5		EBBBLO
O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575420413	382103093	/nfs/dbraw/zinc/10/30/93/382103093.db2.gz	HSHGIAOSBZIRQZ-KBPBESRZSA-N	1	2	344.389	-0.063	40	5		EBBBLO
O=[N+]([O-])c1ccc(CNCC[NH2+][C@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575419946	382103457	/nfs/dbraw/zinc/10/34/57/382103457.db2.gz	BKKULMLUTBLNDS-QWHCGFSZSA-N	1	2	329.378	-0.568	40	5		EBBBLO
Nn1ccc2nc3ccn(CC[NH+]4CCOCC4)c(=O)c3cc2c1=O	ZINC000040398638	213298119	/nfs/dbraw/zinc/29/81/19/213298119.db2.gz	IYYMMWABCUJMPF-UHFFFAOYSA-N	1	2	341.371	-0.243	40	5		EBBBLO
CN(c1c(N)nc(N)[nH+]c1N)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005479416	377176171	/nfs/dbraw/zinc/17/61/71/377176171.db2.gz	OBMNDZGSSSNEHT-UHFFFAOYSA-N	1	2	339.337	-0.044	40	5		EBBBLO
Cc1ccc(S(=O)(=O)N2CN3C[NH2+]C[C@]([N+](=O)[O-])(C3)C2)cc1	ZINC000019325836	212017126	/nfs/dbraw/zinc/01/71/26/212017126.db2.gz	HNDLXUFKOSZLOB-ZDUSSCGKSA-N	1	2	326.378	-0.165	40	5		EBBBLO
O=[N+]([O-])c1ccc(CNCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)cc1	ZINC000575419944	382103065	/nfs/dbraw/zinc/10/30/65/382103065.db2.gz	BKKULMLUTBLNDS-CHWSQXEVSA-N	1	2	329.378	-0.568	40	5		EBBBLO