smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Br	ZINC000216749077	565897342	/nfs/dbraw/zinc/89/73/42/565897342.db2.gz	JLGRFDFAWHAYNK-GDBMZVCRSA-N	2	2	385.346	3.465	20	70		GGIDLP
COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Br	ZINC000216749077	565897344	/nfs/dbraw/zinc/89/73/44/565897344.db2.gz	JLGRFDFAWHAYNK-GDBMZVCRSA-N	2	2	385.346	3.465	20	70		GGIDLP
COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Br	ZINC000216749118	565897476	/nfs/dbraw/zinc/89/74/76/565897476.db2.gz	JLGRFDFAWHAYNK-GOEBONIOSA-N	2	2	385.346	3.465	20	70		GGIDLP
COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Br	ZINC000216749118	565897479	/nfs/dbraw/zinc/89/74/79/565897479.db2.gz	JLGRFDFAWHAYNK-GOEBONIOSA-N	2	2	385.346	3.465	20	70		GGIDLP
C[NH+](C)C1CC[NH+](CCNC(=O)Cc2csc3ccc(Cl)cc23)CC1	ZINC000160914406	565264030	/nfs/dbraw/zinc/26/40/30/565264030.db2.gz	JWHCPRQSBLZQDW-UHFFFAOYSA-N	2	2	379.957	3.239	20	70		GGIDLP
C[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(I)cc32)CC1	ZINC000161478582	565284920	/nfs/dbraw/zinc/28/49/20/565284920.db2.gz	PYOWIAVZONUZGG-HNNXBMFYSA-N	2	2	386.277	3.189	20	70		GGIDLP
C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1	ZINC000161478468	565285209	/nfs/dbraw/zinc/28/52/09/565285209.db2.gz	PYOWIAVZONUZGG-OAHLLOKOSA-N	2	2	386.277	3.189	20	70		GGIDLP
COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Br	ZINC000216749207	565896904	/nfs/dbraw/zinc/89/69/04/565896904.db2.gz	JLGRFDFAWHAYNK-HOCLYGCPSA-N	2	2	385.346	3.465	20	70		GGIDLP
COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Br	ZINC000216749207	565896913	/nfs/dbraw/zinc/89/69/13/565896913.db2.gz	JLGRFDFAWHAYNK-HOCLYGCPSA-N	2	2	385.346	3.465	20	70		GGIDLP
C[NH+](C)Cc1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cc1	ZINC000160803839	565260921	/nfs/dbraw/zinc/26/09/21/565260921.db2.gz	QXVKHIJTTRJAIT-UHFFFAOYSA-N	2	2	387.281	3.088	20	70		GGIDLP
C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C[N@@H+]1C1CC1	ZINC000161039700	565269870	/nfs/dbraw/zinc/26/98/70/565269870.db2.gz	BHHXODIOMMFDMF-GOEBONIOSA-N	2	2	394.357	3.012	20	70		GGIDLP
C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C[N@H+]1C1CC1	ZINC000161039700	565269876	/nfs/dbraw/zinc/26/98/76/565269876.db2.gz	BHHXODIOMMFDMF-GOEBONIOSA-N	2	2	394.357	3.012	20	70		GGIDLP
C[C@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C[N@@H+]1C1CC1	ZINC000161039447	565269776	/nfs/dbraw/zinc/26/97/76/565269776.db2.gz	BHHXODIOMMFDMF-HOCLYGCPSA-N	2	2	394.357	3.012	20	70		GGIDLP
C[C@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C[N@H+]1C1CC1	ZINC000161039447	565269781	/nfs/dbraw/zinc/26/97/81/565269781.db2.gz	BHHXODIOMMFDMF-HOCLYGCPSA-N	2	2	394.357	3.012	20	70		GGIDLP
C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C[N@@H+]1C1CC1	ZINC000161039572	565270298	/nfs/dbraw/zinc/27/02/98/565270298.db2.gz	BHHXODIOMMFDMF-GDBMZVCRSA-N	2	2	394.357	3.012	20	70		GGIDLP
C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C[N@H+]1C1CC1	ZINC000161039572	565270303	/nfs/dbraw/zinc/27/03/03/565270303.db2.gz	BHHXODIOMMFDMF-GDBMZVCRSA-N	2	2	394.357	3.012	20	70		GGIDLP
Oc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1Br	ZINC000218360365	565898594	/nfs/dbraw/zinc/89/85/94/565898594.db2.gz	WTYHWKVKBKEKJI-UHFFFAOYSA-N	2	2	389.091	3.294	20	70		GGIDLP
CC[NH+]1CCC([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1	ZINC000218400674	565899975	/nfs/dbraw/zinc/89/99/75/565899975.db2.gz	IYBQEPCYFNAOIC-UHFFFAOYSA-N	2	2	392.135	3.491	20	70		GGIDLP
O=C(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Nc1ccc(Br)cc1	ZINC000160780764	565259756	/nfs/dbraw/zinc/25/97/56/565259756.db2.gz	SFJSWORUJILZBV-UHFFFAOYSA-N	2	2	389.297	3.041	20	70		GGIDLP
C[C@@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C[N@@H+]1C1CC1	ZINC000161039318	565270508	/nfs/dbraw/zinc/27/05/08/565270508.db2.gz	BHHXODIOMMFDMF-ZBFHGGJFSA-N	2	2	394.357	3.012	20	70		GGIDLP
C[C@@H]1C[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2Br)C[N@H+]1C1CC1	ZINC000161039318	565270511	/nfs/dbraw/zinc/27/05/11/565270511.db2.gz	BHHXODIOMMFDMF-ZBFHGGJFSA-N	2	2	394.357	3.012	20	70		GGIDLP
C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000161139567	565275324	/nfs/dbraw/zinc/27/53/24/565275324.db2.gz	ARPWCLYQTYLLNW-UHFFFAOYSA-N	2	2	380.323	3.167	20	70		GGIDLP
C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000161139567	565275325	/nfs/dbraw/zinc/27/53/25/565275325.db2.gz	ARPWCLYQTYLLNW-UHFFFAOYSA-N	2	2	380.323	3.167	20	70		GGIDLP
COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Br	ZINC000216749166	565897190	/nfs/dbraw/zinc/89/71/90/565897190.db2.gz	JLGRFDFAWHAYNK-ZBFHGGJFSA-N	2	2	385.346	3.465	20	70		GGIDLP
COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Br	ZINC000216749166	565897194	/nfs/dbraw/zinc/89/71/94/565897194.db2.gz	JLGRFDFAWHAYNK-ZBFHGGJFSA-N	2	2	385.346	3.465	20	70		GGIDLP