smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[NH+]1CCC(NCCC(=O)N(C)Cc2ccccc2Br)CC1	ZINC000161030364	565268736	/nfs/dbraw/zinc/26/87/36/565268736.db2.gz	YBDIVHBCABVAGK-UHFFFAOYSA-N	1	3	396.373	3.262	20	70		GGIDHO
C[NH+](C)C1CCN(CCN[C@H]2CCCOc3c(Br)cccc32)CC1	ZINC000160202132	565235371	/nfs/dbraw/zinc/23/53/71/565235371.db2.gz	RFTMGLZKGTVWCR-SFHVURJKSA-N	1	3	396.373	3.278	20	70		GGIDHO
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC(=O)N(C)Cc1ccccc1Br	ZINC000161034853	565270054	/nfs/dbraw/zinc/27/00/54/565270054.db2.gz	SMZJUFIXSNOEIM-IIDMSEBBSA-N	1	3	396.373	3.116	20	70		GGIDHO
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC(=O)N(C)Cc1ccccc1Br	ZINC000161034853	565270060	/nfs/dbraw/zinc/27/00/60/565270060.db2.gz	SMZJUFIXSNOEIM-IIDMSEBBSA-N	1	3	396.373	3.116	20	70		GGIDHO
C[NH+](C)C1CCN(CCN[C@@H]2CCc3c2cc(Br)cc3F)CC1	ZINC000160173530	565233607	/nfs/dbraw/zinc/23/36/07/565233607.db2.gz	NFNRIMSRCJGQSU-GOSISDBHSA-N	1	3	384.337	3.191	20	70		GGIDHO
C[NH+](C)C1CCN(CCN[C@H]2CCc3c2cc(Br)cc3F)CC1	ZINC000160173639	565233942	/nfs/dbraw/zinc/23/39/42/565233942.db2.gz	NFNRIMSRCJGQSU-SFHVURJKSA-N	1	3	384.337	3.191	20	70		GGIDHO
C[NH+](C)C1CCN(CCN[C@@H]2CCCOc3cc(Br)ccc32)CC1	ZINC000160256387	565237711	/nfs/dbraw/zinc/23/77/11/565237711.db2.gz	NPUYHXSXCACIFX-GOSISDBHSA-N	1	3	396.373	3.278	20	70		GGIDHO
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC(=O)N(C)Cc1ccccc1Br	ZINC000161034959	565269914	/nfs/dbraw/zinc/26/99/14/565269914.db2.gz	SMZJUFIXSNOEIM-RVKKMQEKSA-N	1	3	396.373	3.116	20	70		GGIDHO
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC(=O)N(C)Cc1ccccc1Br	ZINC000161034959	565269919	/nfs/dbraw/zinc/26/99/19/565269919.db2.gz	SMZJUFIXSNOEIM-RVKKMQEKSA-N	1	3	396.373	3.116	20	70		GGIDHO
COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1Br	ZINC000160153192	565232821	/nfs/dbraw/zinc/23/28/21/565232821.db2.gz	SLMNRZRTYZFVKV-AWEZNQCLSA-N	1	3	384.362	3.134	20	70		GGIDHO
COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1Br	ZINC000160153312	565234275	/nfs/dbraw/zinc/23/42/75/565234275.db2.gz	SLMNRZRTYZFVKV-CQSZACIVSA-N	1	3	384.362	3.134	20	70		GGIDHO
CC[N@@H+]1CC[C@H](NCCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1	ZINC000161033198	565270026	/nfs/dbraw/zinc/27/00/26/565270026.db2.gz	ZWVMJQAVYRKUTI-QAPCUYQASA-N	1	3	396.373	3.118	20	70		GGIDHO
CC[N@H+]1CC[C@H](NCCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1	ZINC000161033198	565270031	/nfs/dbraw/zinc/27/00/31/565270031.db2.gz	ZWVMJQAVYRKUTI-QAPCUYQASA-N	1	3	396.373	3.118	20	70		GGIDHO
CC[N@@H+]1CC[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1	ZINC000161033361	565270319	/nfs/dbraw/zinc/27/03/19/565270319.db2.gz	ZWVMJQAVYRKUTI-CRAIPNDOSA-N	1	3	396.373	3.118	20	70		GGIDHO
CC[N@H+]1CC[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1	ZINC000161033361	565270322	/nfs/dbraw/zinc/27/03/22/565270322.db2.gz	ZWVMJQAVYRKUTI-CRAIPNDOSA-N	1	3	396.373	3.118	20	70		GGIDHO
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)N(C)Cc1ccccc1Br	ZINC000161034729	565270563	/nfs/dbraw/zinc/27/05/63/565270563.db2.gz	SMZJUFIXSNOEIM-VKJFTORMSA-N	1	3	396.373	3.116	20	70		GGIDHO
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)N(C)Cc1ccccc1Br	ZINC000161034729	565270568	/nfs/dbraw/zinc/27/05/68/565270568.db2.gz	SMZJUFIXSNOEIM-VKJFTORMSA-N	1	3	396.373	3.116	20	70		GGIDHO
C[NH+](C)C1CCN(CCN[C@H]2CCCOc3cc(Br)ccc32)CC1	ZINC000160256515	565237911	/nfs/dbraw/zinc/23/79/11/565237911.db2.gz	NPUYHXSXCACIFX-SFHVURJKSA-N	1	3	396.373	3.278	20	70		GGIDHO
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC(=O)N(C)Cc1ccccc1Br	ZINC000161034588	565270131	/nfs/dbraw/zinc/27/01/31/565270131.db2.gz	SMZJUFIXSNOEIM-RKVPGOIHSA-N	1	3	396.373	3.116	20	70		GGIDHO
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC(=O)N(C)Cc1ccccc1Br	ZINC000161034588	565270136	/nfs/dbraw/zinc/27/01/36/565270136.db2.gz	SMZJUFIXSNOEIM-RKVPGOIHSA-N	1	3	396.373	3.116	20	70		GGIDHO
C[NH+](C)C1CCN(CCN[C@@H]2CCCOc3c(Br)cccc32)CC1	ZINC000160202003	565234926	/nfs/dbraw/zinc/23/49/26/565234926.db2.gz	RFTMGLZKGTVWCR-GOSISDBHSA-N	1	3	396.373	3.278	20	70		GGIDHO
CC(C)[NH+]1CCC(NCCC(=O)N(C)Cc2ccccc2Br)CC1	ZINC000161041426	565270452	/nfs/dbraw/zinc/27/04/52/565270452.db2.gz	MICMEFMKSIULGT-UHFFFAOYSA-N	1	3	396.373	3.260	20	70		GGIDHO