smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2C	ZINC000019884028	168392521	/nfs/dbraw/zinc/39/25/21/168392521.db2.gz	DLIJZWLINVVFRZ-DGCLKSJQSA-N	0	3	247.382	4.027	10	10		BICEHN
CCC(CC)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2C	ZINC000019884030	168394423	/nfs/dbraw/zinc/39/44/23/168394423.db2.gz	DLIJZWLINVVFRZ-YPMHNXCESA-N	0	3	247.382	4.027	10	10		BICEHN
CCC(CC)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2C	ZINC000019884032	168392642	/nfs/dbraw/zinc/39/26/42/168392642.db2.gz	DLIJZWLINVVFRZ-WCQYABFASA-N	0	3	247.382	4.027	10	10		BICEHN
CCC(CC)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2C	ZINC000019884033	168393385	/nfs/dbraw/zinc/39/33/85/168393385.db2.gz	DLIJZWLINVVFRZ-AAEUAGOBSA-N	0	3	247.382	4.027	10	10		BICEHN
CC[C@H]([NH2+]C1CCC(C)CC1)c1ccccc1[O-]	ZINC000019917971	171515301	/nfs/dbraw/zinc/51/53/01/171515301.db2.gz	GHISOBDUOTUUPU-PIMMBPRGSA-N	0	3	247.382	4.012	10	10		BICEHN
CCC1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1	ZINC000042577283	637289844	/nfs/dbraw/zinc/28/98/44/637289844.db2.gz	RKZHNJFXNJWHIK-HSBZDZAISA-N	0	3	247.382	4.012	10	10		BICEHN
CCC1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1	ZINC000042577285	637288880	/nfs/dbraw/zinc/28/88/80/637288880.db2.gz	RKZHNJFXNJWHIK-IYXRBSQSSA-N	0	3	247.382	4.012	10	10		BICEHN
CCCC[C@H](C)[NH2+][C@H](CC)c1ccccc1[O-]	ZINC000050886916	168992629	/nfs/dbraw/zinc/99/26/29/168992629.db2.gz	AVZSOQCMXZOYBF-GXTWGEPZSA-N	0	3	235.371	4.012	10	10		BICEHN
CCC(CC)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1[O-]	ZINC000104433138	168399152	/nfs/dbraw/zinc/39/91/52/168399152.db2.gz	UOGCRFUZQSAOAB-DOMZBBRYSA-N	0	3	249.398	4.258	10	10		BICEHN
CCC(CC)[C@@H](C)[NH2+][C@H](CC)c1ccccc1[O-]	ZINC000104433148	168399718	/nfs/dbraw/zinc/39/97/18/168399718.db2.gz	UOGCRFUZQSAOAB-IUODEOHRSA-N	0	3	249.398	4.258	10	10		BICEHN
CCC(C)(C)c1ccc([O-])c([C@@H]([NH3+])CC(C)C)c1	ZINC000757133850	582510388	/nfs/dbraw/zinc/51/03/88/582510388.db2.gz	ZLIQYVSKCZLUGW-AWEZNQCLSA-N	0	3	249.398	4.126	10	10		BICEHN
CCC(C)(C)c1ccc([O-])c([C@H]([NH3+])CC(C)C)c1	ZINC000757133854	582510725	/nfs/dbraw/zinc/51/07/25/582510725.db2.gz	ZLIQYVSKCZLUGW-CQSZACIVSA-N	0	3	249.398	4.126	10	10		BICEHN
CCC(C)(C)c1ccc([O-])c([C@H]([NH3+])C(C)(C)C)c1	ZINC000757145996	586428458	/nfs/dbraw/zinc/42/84/58/586428458.db2.gz	QWMQPDDPNOBOSZ-AWEZNQCLSA-N	0	3	249.398	4.126	10	10		BICEHN
CCC(C)(C)c1ccc([O-])c([C@@H]([NH3+])C(C)(C)C)c1	ZINC000757145999	586428033	/nfs/dbraw/zinc/42/80/33/586428033.db2.gz	QWMQPDDPNOBOSZ-CQSZACIVSA-N	0	3	249.398	4.126	10	10		BICEHN
Cc1cc(C(C)(C)C)cc([C@@H]([NH3+])CC(C)C)c1[O-]	ZINC000757146014	582529480	/nfs/dbraw/zinc/52/94/80/582529480.db2.gz	RFVGGTYIXWUMEZ-AWEZNQCLSA-N	0	3	249.398	4.044	10	10		BICEHN
Cc1cc(C(C)(C)C)cc([C@H]([NH3+])CC(C)C)c1[O-]	ZINC000757146034	586428361	/nfs/dbraw/zinc/42/83/61/586428361.db2.gz	RFVGGTYIXWUMEZ-CQSZACIVSA-N	0	3	249.398	4.044	10	10		BICEHN