smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CN)[N@H+](C)Cc1ccc(N)cc1	1120370619	757808326	/nfs/dbraw/zinc/80/83/26/757808326.db2.gz	CKJNPNVRUGXKCI-VIFPVBQESA-N	1	3	193.294	1.048	20	10		ADCDHO
C[C@@H](CN)[N@@H+](C)Cc1ccc(N)cc1	1120370619	757808328	/nfs/dbraw/zinc/80/83/28/757808328.db2.gz	CKJNPNVRUGXKCI-VIFPVBQESA-N	1	3	193.294	1.048	20	10		ADCDHO
C[C@H](CN)[N@H+](C)Cc1ccc(N)cc1	1120370618	757809001	/nfs/dbraw/zinc/80/90/01/757809001.db2.gz	CKJNPNVRUGXKCI-SECBINFHSA-N	1	3	193.294	1.048	20	10		ADCDHO
C[C@H](CN)[N@@H+](C)Cc1ccc(N)cc1	1120370618	757809004	/nfs/dbraw/zinc/80/90/04/757809004.db2.gz	CKJNPNVRUGXKCI-SECBINFHSA-N	1	3	193.294	1.048	20	10		ADCDHO
CN(CCC[NH3+])Cc1ccc(N)cc1	1262487498	1170131226	/nfs/dbraw/zinc/13/12/26/1170131226.db2.gz	VPNFHHPRVCDHCD-UHFFFAOYSA-N	1	3	193.294	1.049	20	10		ADCDHO
CC[C@@H](N)C[NH2+]Cc1ccc(N)cc1	1334755139	1170344107	/nfs/dbraw/zinc/34/41/07/1170344107.db2.gz	XIIZGOOCGARDFY-SNVBAGLBSA-N	1	3	193.294	1.096	20	10		ADCDHO
C[C@@H](CC[NH3+])NCc1ccc(N)cc1	1334753935	1170344240	/nfs/dbraw/zinc/34/42/40/1170344240.db2.gz	JEQBRQFMGGMVJB-VIFPVBQESA-N	1	3	193.294	1.096	20	10		ADCDHO
CC[C@H](N)C[NH2+]Cc1ccc(N)cc1	1334755138	1170344908	/nfs/dbraw/zinc/34/49/08/1170344908.db2.gz	XIIZGOOCGARDFY-JTQLQIEISA-N	1	3	193.294	1.096	20	10		ADCDHO
C[C@H](CC[NH3+])NCc1ccc(N)cc1	1334753934	1170345111	/nfs/dbraw/zinc/34/51/11/1170345111.db2.gz	JEQBRQFMGGMVJB-SECBINFHSA-N	1	3	193.294	1.096	20	10		ADCDHO
CC(C)(N)C[NH2+]Cc1ccc(N)cc1	1337838258	1170399905	/nfs/dbraw/zinc/39/99/05/1170399905.db2.gz	MWYOVXNYVYVIDP-UHFFFAOYSA-N	1	3	193.294	1.096	20	10		ADCDHO
C[C@H](C[NH3+])C[NH2+]Cc1ccccc1[O-]	308560772	573335493	/nfs/dbraw/zinc/33/54/93/573335493.db2.gz	FCKKVHIORDSHNL-SECBINFHSA-N	1	3	194.278	1.077	20	10		ADCDHO
Cc1cccc(CN[C@H](C)C[NH3+])c1O	841060153	583111713	/nfs/dbraw/zinc/11/17/13/583111713.db2.gz	RBVSOGPSHOPGKS-SECBINFHSA-N	1	3	194.278	1.137	20	10		ADCDHO
Cc1ccc(O)c(CN[C@@H](C)C[NH3+])c1	841063520	583111745	/nfs/dbraw/zinc/11/17/45/583111745.db2.gz	LBENTMMDYFEIQB-VIFPVBQESA-N	1	3	194.278	1.137	20	10		ADCDHO
Cc1ccc(O)c(CN[C@H](C)C[NH3+])c1	841059889	583111917	/nfs/dbraw/zinc/11/19/17/583111917.db2.gz	LBENTMMDYFEIQB-SECBINFHSA-N	1	3	194.278	1.137	20	10		ADCDHO
C[C@H](CC[NH3+])[NH2+]Cc1ccccc1[O-]	841050005	583112457	/nfs/dbraw/zinc/11/24/57/583112457.db2.gz	CASRBYZAFFWYGK-SECBINFHSA-N	1	3	194.278	1.219	20	10		ADCDHO
Cc1cccc(CN[C@@H](C)C[NH3+])c1O	841063856	583112722	/nfs/dbraw/zinc/11/27/22/583112722.db2.gz	RBVSOGPSHOPGKS-VIFPVBQESA-N	1	3	194.278	1.137	20	10		ADCDHO
C[C@@H](CC[NH3+])[NH2+]Cc1ccccc1[O-]	841050006	583112789	/nfs/dbraw/zinc/11/27/89/583112789.db2.gz	CASRBYZAFFWYGK-VIFPVBQESA-N	1	3	194.278	1.219	20	10		ADCDHO
C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1[O-]	308560773	630015742	/nfs/dbraw/zinc/01/57/42/630015742.db2.gz	FCKKVHIORDSHNL-VIFPVBQESA-N	1	3	194.278	1.077	20	10		ADCDHO
C[NH2+]CCCNCc1ccccc1O	83342162	630836550	/nfs/dbraw/zinc/83/65/50/630836550.db2.gz	TYYVIUPTYRAVTD-UHFFFAOYSA-N	1	3	194.278	1.091	20	10		ADCDHO
CN(CCC[NH3+])Cc1ccccc1O	227743621	630858746	/nfs/dbraw/zinc/85/87/46/630858746.db2.gz	XKQHNWIVVROTKH-UHFFFAOYSA-N	1	3	194.278	1.173	20	10		ADCDHO