smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F	ZINC000160679535	565255570	/nfs/dbraw/zinc/25/55/70/565255570.db2.gz	AFESODZPLCNHAB-RDTXWAMCSA-N	2	0	385.321	3.402	20	70		GGIDRP
OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2c1cc(Br)cc2F	ZINC000160679668	565255725	/nfs/dbraw/zinc/25/57/25/565255725.db2.gz	AFESODZPLCNHAB-KDOFPFPSSA-N	2	0	385.321	3.402	20	70		GGIDRP
OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2c(Br)cccc21	ZINC000160696516	565256888	/nfs/dbraw/zinc/25/68/88/565256888.db2.gz	HOBJUXYATMPNPD-CRAIPNDOSA-N	2	0	397.357	3.489	20	70		GGIDRP
CCC[NH+]1CCC([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC1	ZINC000161030364	565268724	/nfs/dbraw/zinc/26/87/24/565268724.db2.gz	YBDIVHBCABVAGK-UHFFFAOYSA-N	2	0	396.373	3.262	20	70		GGIDRP
C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1	ZINC000160202132	565235363	/nfs/dbraw/zinc/23/53/63/565235363.db2.gz	RFTMGLZKGTVWCR-SFHVURJKSA-N	2	0	396.373	3.278	20	70		GGIDRP
COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1Br	ZINC000160663728	565256002	/nfs/dbraw/zinc/25/60/02/565256002.db2.gz	FISUFAUZSIMREI-GOEBONIOSA-N	2	0	385.346	3.345	20	70		GGIDRP
CN1CCC([NH2+][C@H]2CCCOc3ccc(I)cc32)CC1	ZINC000161478582	565284907	/nfs/dbraw/zinc/28/49/07/565284907.db2.gz	PYOWIAVZONUZGG-HNNXBMFYSA-N	2	0	386.277	3.189	20	70		GGIDRP
OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2cc(Br)ccc21	ZINC000160739470	565258015	/nfs/dbraw/zinc/25/80/15/565258015.db2.gz	KMJBFJMQNLCUHS-AEFFLSMTSA-N	2	0	397.357	3.489	20	70		GGIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161034853	565270035	/nfs/dbraw/zinc/27/00/35/565270035.db2.gz	SMZJUFIXSNOEIM-IIDMSEBBSA-N	2	0	396.373	3.116	20	70		GGIDRP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1	ZINC000160173530	565233598	/nfs/dbraw/zinc/23/35/98/565233598.db2.gz	NFNRIMSRCJGQSU-GOSISDBHSA-N	2	0	384.337	3.191	20	70		GGIDRP
CN1CCC([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1	ZINC000161478468	565285195	/nfs/dbraw/zinc/28/51/95/565285195.db2.gz	PYOWIAVZONUZGG-OAHLLOKOSA-N	2	0	386.277	3.189	20	70		GGIDRP
C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1	ZINC000160173639	565233929	/nfs/dbraw/zinc/23/39/29/565233929.db2.gz	NFNRIMSRCJGQSU-SFHVURJKSA-N	2	0	384.337	3.191	20	70		GGIDRP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1	ZINC000160256387	565237704	/nfs/dbraw/zinc/23/77/04/565237704.db2.gz	NPUYHXSXCACIFX-GOSISDBHSA-N	2	0	396.373	3.278	20	70		GGIDRP
COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1Br	ZINC000160663861	565255444	/nfs/dbraw/zinc/25/54/44/565255444.db2.gz	FISUFAUZSIMREI-GDBMZVCRSA-N	2	0	385.346	3.345	20	70		GGIDRP
C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)C1CC[NH+](C)CC1	ZINC000161042345	565269737	/nfs/dbraw/zinc/26/97/37/565269737.db2.gz	DSVFJYJWMZUHES-HNNXBMFYSA-N	2	0	396.373	3.118	20	70		GGIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161034959	565269894	/nfs/dbraw/zinc/26/98/94/565269894.db2.gz	SMZJUFIXSNOEIM-RVKKMQEKSA-N	2	0	396.373	3.116	20	70		GGIDRP
COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1Br	ZINC000160153192	565232809	/nfs/dbraw/zinc/23/28/09/565232809.db2.gz	SLMNRZRTYZFVKV-AWEZNQCLSA-N	2	0	384.362	3.134	20	70		GGIDRP
COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1Br	ZINC000160153312	565234271	/nfs/dbraw/zinc/23/42/71/565234271.db2.gz	SLMNRZRTYZFVKV-CQSZACIVSA-N	2	0	384.362	3.134	20	70		GGIDRP
OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21	ZINC000160739599	565257761	/nfs/dbraw/zinc/25/77/61/565257761.db2.gz	KMJBFJMQNLCUHS-SJLPKXTDSA-N	2	0	397.357	3.489	20	70		GGIDRP
CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1	ZINC000161033198	565270011	/nfs/dbraw/zinc/27/00/11/565270011.db2.gz	ZWVMJQAVYRKUTI-QAPCUYQASA-N	2	0	396.373	3.118	20	70		GGIDRP
CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1	ZINC000161033361	565270309	/nfs/dbraw/zinc/27/03/09/565270309.db2.gz	ZWVMJQAVYRKUTI-CRAIPNDOSA-N	2	0	396.373	3.118	20	70		GGIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161034729	565270550	/nfs/dbraw/zinc/27/05/50/565270550.db2.gz	SMZJUFIXSNOEIM-VKJFTORMSA-N	2	0	396.373	3.116	20	70		GGIDRP
C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1	ZINC000160256515	565237906	/nfs/dbraw/zinc/23/79/06/565237906.db2.gz	NPUYHXSXCACIFX-SFHVURJKSA-N	2	0	396.373	3.278	20	70		GGIDRP
OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCOc2c(Br)cccc21	ZINC000160696412	565256367	/nfs/dbraw/zinc/25/63/67/565256367.db2.gz	HOBJUXYATMPNPD-QAPCUYQASA-N	2	0	397.357	3.489	20	70		GGIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br	ZINC000161034588	565270116	/nfs/dbraw/zinc/27/01/16/565270116.db2.gz	SMZJUFIXSNOEIM-RKVPGOIHSA-N	2	0	396.373	3.116	20	70		GGIDRP
C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)C1CC[NH+](C)CC1	ZINC000161042455	565270256	/nfs/dbraw/zinc/27/02/56/565270256.db2.gz	DSVFJYJWMZUHES-OAHLLOKOSA-N	2	0	396.373	3.118	20	70		GGIDRP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1	ZINC000160202003	565234916	/nfs/dbraw/zinc/23/49/16/565234916.db2.gz	RFTMGLZKGTVWCR-GOSISDBHSA-N	2	0	396.373	3.278	20	70		GGIDRP
CC(C)[NH+]1CCC([NH2+]CCC(=O)N(C)Cc2ccccc2Br)CC1	ZINC000161041426	565270445	/nfs/dbraw/zinc/27/04/45/565270445.db2.gz	MICMEFMKSIULGT-UHFFFAOYSA-N	2	0	396.373	3.260	20	70		GGIDRP