smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)c1ccccc1Cl	ZINC000019914927	262206309	/nfs/dbraw/zinc/20/63/09/262206309.db2.gz	YNYVNVBOUWRUFG-CABCVRRESA-N	1	3	296.886	4.501	20	0		CJADHO
CC[NH+](CC)CCC[C@H](C)N[C@@H](C)c1ccccc1Cl	ZINC000019914929	262206011	/nfs/dbraw/zinc/20/60/11/262206011.db2.gz	YNYVNVBOUWRUFG-GJZGRUSLSA-N	1	3	296.886	4.501	20	0		CJADHO
CC[NH+](CC)CCC[C@@H](C)N[C@H](C)c1ccccc1Cl	ZINC000019914930	262205753	/nfs/dbraw/zinc/20/57/53/262205753.db2.gz	YNYVNVBOUWRUFG-HUUCEWRRSA-N	1	3	296.886	4.501	20	0		CJADHO
CC[NH+](CC)CCC[C@H](C)N[C@H](C)c1ccccc1Cl	ZINC000019914932	262178252	/nfs/dbraw/zinc/17/82/52/262178252.db2.gz	YNYVNVBOUWRUFG-LSDHHAIUSA-N	1	3	296.886	4.501	20	0		CJADHO
CCCC[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1	ZINC000423288945	330186416	/nfs/dbraw/zinc/18/64/16/330186416.db2.gz	ACKLSUPBYLVHQK-JXFKEZNVSA-N	1	3	296.458	4.727	20	0		CJADHO
CCCC[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1	ZINC000423288946	330186379	/nfs/dbraw/zinc/18/63/79/330186379.db2.gz	ACKLSUPBYLVHQK-OXJNMPFZSA-N	1	3	296.458	4.727	20	0		CJADHO
CCCC[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1	ZINC000423288947	330186372	/nfs/dbraw/zinc/18/63/72/330186372.db2.gz	ACKLSUPBYLVHQK-OXQOHEQNSA-N	1	3	296.458	4.727	20	0		CJADHO
CCCC[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1	ZINC000423288948	330186494	/nfs/dbraw/zinc/18/64/94/330186494.db2.gz	ACKLSUPBYLVHQK-UZLBHIALSA-N	1	3	296.458	4.727	20	0		CJADHO
CC(C)C[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1	ZINC000423289006	330186524	/nfs/dbraw/zinc/18/65/24/330186524.db2.gz	AHWWENRXRUCIHG-JXFKEZNVSA-N	1	3	296.458	4.583	20	0		CJADHO
CC(C)C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1	ZINC000423289007	330186368	/nfs/dbraw/zinc/18/63/68/330186368.db2.gz	AHWWENRXRUCIHG-OXJNMPFZSA-N	1	3	296.458	4.583	20	0		CJADHO
CC(C)C[C@@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1	ZINC000423289008	330186586	/nfs/dbraw/zinc/18/65/86/330186586.db2.gz	AHWWENRXRUCIHG-OXQOHEQNSA-N	1	3	296.458	4.583	20	0		CJADHO
CC(C)C[C@H](NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1	ZINC000423289009	330186527	/nfs/dbraw/zinc/18/65/27/330186527.db2.gz	AHWWENRXRUCIHG-UZLBHIALSA-N	1	3	296.458	4.583	20	0		CJADHO
CCCc1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1	ZINC000423290616	330186890	/nfs/dbraw/zinc/18/68/90/330186890.db2.gz	DTKRQHWPFKZFJG-CVEARBPZSA-N	1	3	296.458	4.510	20	0		CJADHO
CCCc1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1	ZINC000423290617	330186870	/nfs/dbraw/zinc/18/68/70/330186870.db2.gz	DTKRQHWPFKZFJG-HOTGVXAUSA-N	1	3	296.458	4.510	20	0		CJADHO
CCCc1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1	ZINC000423290618	330186810	/nfs/dbraw/zinc/18/68/10/330186810.db2.gz	DTKRQHWPFKZFJG-HZPDHXFCSA-N	1	3	296.458	4.510	20	0		CJADHO
CCCc1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1	ZINC000423290619	330186671	/nfs/dbraw/zinc/18/66/71/330186671.db2.gz	DTKRQHWPFKZFJG-JKSUJKDBSA-N	1	3	296.458	4.510	20	0		CJADHO
CC(C)c1ccc([C@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1	ZINC000423291571	330187136	/nfs/dbraw/zinc/18/71/36/330187136.db2.gz	IWIYBRIUSPYNCI-CVEARBPZSA-N	1	3	296.458	4.681	20	0		CJADHO
CC(C)c1ccc([C@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1	ZINC000423291572	330186982	/nfs/dbraw/zinc/18/69/82/330186982.db2.gz	IWIYBRIUSPYNCI-HOTGVXAUSA-N	1	3	296.458	4.681	20	0		CJADHO
CC(C)c1ccc([C@@H](C)NCc2ccc([C@@H](C)[NH3+])cc2)cc1	ZINC000423291573	330187009	/nfs/dbraw/zinc/18/70/09/330187009.db2.gz	IWIYBRIUSPYNCI-HZPDHXFCSA-N	1	3	296.458	4.681	20	0		CJADHO
CC(C)c1ccc([C@@H](C)NCc2ccc([C@H](C)[NH3+])cc2)cc1	ZINC000423291574	330187169	/nfs/dbraw/zinc/18/71/69/330187169.db2.gz	IWIYBRIUSPYNCI-JKSUJKDBSA-N	1	3	296.458	4.681	20	0		CJADHO
CCc1ccc([C@@H](CC)NCc2ccc([C@@H](C)[NH3+])cc2)cc1	ZINC000423291576	330187158	/nfs/dbraw/zinc/18/71/58/330187158.db2.gz	IWQISOHMLXOQIM-FOIQADDNSA-N	1	3	296.458	4.510	20	0		CJADHO
CCc1ccc([C@@H](CC)NCc2ccc([C@H](C)[NH3+])cc2)cc1	ZINC000423291577	330187073	/nfs/dbraw/zinc/18/70/73/330187073.db2.gz	IWQISOHMLXOQIM-MGPUTAFESA-N	1	3	296.458	4.510	20	0		CJADHO
CCc1ccc([C@H](CC)NCc2ccc([C@@H](C)[NH3+])cc2)cc1	ZINC000423291578	330187128	/nfs/dbraw/zinc/18/71/28/330187128.db2.gz	IWQISOHMLXOQIM-QRWLVFNGSA-N	1	3	296.458	4.510	20	0		CJADHO
CCc1ccc([C@H](CC)NCc2ccc([C@H](C)[NH3+])cc2)cc1	ZINC000423291579	330187139	/nfs/dbraw/zinc/18/71/39/330187139.db2.gz	IWQISOHMLXOQIM-YWZLYKJASA-N	1	3	296.458	4.510	20	0		CJADHO
CC(C)=CCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1	ZINC000532548963	328789529	/nfs/dbraw/zinc/78/95/29/328789529.db2.gz	PIYXVYAFQMVNNE-KRWDZBQOSA-N	1	3	292.511	4.508	20	0		CJADHO
CC(C)=CCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1	ZINC000532548964	328789464	/nfs/dbraw/zinc/78/94/64/328789464.db2.gz	PIYXVYAFQMVNNE-QGZVFWFLSA-N	1	3	292.511	4.508	20	0		CJADHO