smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cnc(C[N@H+](CCCC[NH3+])[C@H](C)c2ccccn2)c(C)c1	ZINC000066065981	184386454	/nfs/dbraw/zinc/38/64/54/184386454.db2.gz	ZOSBGNJWLUKHGF-QGZVFWFLSA-N	2	1	312.461	3.396	1	0		DGAFMP
Cc1cccc(C[N@@H+](CCCC[NH3+])[C@@H]2CCCc3cccnc32)n1	ZINC000066076010	184386923	/nfs/dbraw/zinc/38/69/23/184386923.db2.gz	DYNCUXHVLGCFAT-LJQANCHMSA-N	2	1	324.472	3.404	1	0		DGAFMP
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3)s2)o1	ZINC000066166515	184394596	/nfs/dbraw/zinc/39/45/96/184394596.db2.gz	ODSAKSYZWXAHDC-UHFFFAOYSA-N	2	1	310.382	3.243	1	0		DGAFMP
Cc1cnc(C[N@H+](CCCC[NH3+])[C@@H](C)c2ccccn2)c(C)c1	ZINC000066065980	184386344	/nfs/dbraw/zinc/38/63/44/184386344.db2.gz	ZOSBGNJWLUKHGF-KRWDZBQOSA-N	2	1	312.461	3.396	1	0		DGAFMP
Cc1ccnc(C[N@@H+](CCCC[NH3+])[C@H]2CCCc3cccnc32)c1	ZINC000066076006	184387171	/nfs/dbraw/zinc/38/71/71/184387171.db2.gz	AOYOMCFAVFSUJS-IBGZPJMESA-N	2	1	324.472	3.404	1	0		DGAFMP
c1ccc2c(c1)cccc2C[N@@H+]1CCCNCCC[NH2+]CCC1	ZINC000073280569	191300148	/nfs/dbraw/zinc/30/01/48/191300148.db2.gz	PZAUBWKRRRGCEB-UHFFFAOYSA-N	2	1	311.473	3.005	1	0		DGAFMP
c1ccc2c(c1)cccc2C[N@H+]1CCCNCCC[NH2+]CCC1	ZINC000073280569	191300150	/nfs/dbraw/zinc/30/01/50/191300150.db2.gz	PZAUBWKRRRGCEB-UHFFFAOYSA-N	2	1	311.473	3.005	1	0		DGAFMP
Cc1cccc(C[N@@H+](CCCC[NH3+])[C@H]2CCCc3cccnc32)n1	ZINC000066076012	184386849	/nfs/dbraw/zinc/38/68/49/184386849.db2.gz	DYNCUXHVLGCFAT-IBGZPJMESA-N	2	1	324.472	3.404	1	0		DGAFMP
Cc1ccc(C[N@@H+](CCCC[NH3+])[C@@H]2CCCc3cccnc32)nc1	ZINC000066076007	184387261	/nfs/dbraw/zinc/38/72/61/184387261.db2.gz	OPYUKWLQFVZBTO-LJQANCHMSA-N	2	1	324.472	3.404	1	0		DGAFMP
C[C@@H](c1ccccn1)[N@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066077037	184386892	/nfs/dbraw/zinc/38/68/92/184386892.db2.gz	OSZUXHNLRBBQOK-HNNXBMFYSA-N	2	1	323.444	3.260	1	0		DGAFMP
C[C@@H](c1ccccn1)[N@@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066077037	184386894	/nfs/dbraw/zinc/38/68/94/184386894.db2.gz	OSZUXHNLRBBQOK-HNNXBMFYSA-N	2	1	323.444	3.260	1	0		DGAFMP
F[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1	ZINC000040395761	183060643	/nfs/dbraw/zinc/06/06/43/183060643.db2.gz	CNANVGDNJVODAU-SFHVURJKSA-N	2	1	320.452	3.485	1	0		DGAFMP
F[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1	ZINC000040395761	183060645	/nfs/dbraw/zinc/06/06/45/183060645.db2.gz	CNANVGDNJVODAU-SFHVURJKSA-N	2	1	320.452	3.485	1	0		DGAFMP
CCCCCC[C@@]1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cl)c1	ZINC000013559306	134513130	/nfs/dbraw/zinc/51/31/30/134513130.db2.gz	VSXVVMCROPSSBG-INIZCTEOSA-N	2	1	321.856	3.476	1	0		DGAFMP
C[NH2+]CCN1CCCc2cc(NC(=[NH2+])c3cccs3)ccc21	ZINC000095556760	185379623	/nfs/dbraw/zinc/37/96/23/185379623.db2.gz	OGZIQVTYHMBLMX-UHFFFAOYSA-N	2	1	314.458	3.158	1	0		DGAFMP
Cc1ccc(C[N@@H+](CCCC[NH3+])[C@H]2CCCc3cccnc32)nc1	ZINC000066076009	184386765	/nfs/dbraw/zinc/38/67/65/184386765.db2.gz	OPYUKWLQFVZBTO-IBGZPJMESA-N	2	1	324.472	3.404	1	0		DGAFMP
C[C@H](c1ccccn1)[N@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066077039	184386873	/nfs/dbraw/zinc/38/68/73/184386873.db2.gz	OSZUXHNLRBBQOK-OAHLLOKOSA-N	2	1	323.444	3.260	1	0		DGAFMP
C[C@H](c1ccccn1)[N@@H+](CCCC[NH3+])Cc1nc2ccccc2[nH]1	ZINC000066077039	184386876	/nfs/dbraw/zinc/38/68/76/184386876.db2.gz	OSZUXHNLRBBQOK-OAHLLOKOSA-N	2	1	323.444	3.260	1	0		DGAFMP
Cc1ccnc([C@H](C)[N@@H+](CCCC[NH3+])Cc2ncccc2C)c1	ZINC000066079741	184387364	/nfs/dbraw/zinc/38/73/64/184387364.db2.gz	ODWVSSSPZXBJFJ-KRWDZBQOSA-N	2	1	312.461	3.396	1	0		DGAFMP
CC[NH+](CC)CCCNc1[nH+]ccc2c1c1cnccc1n2C	ZINC000005139275	181208964	/nfs/dbraw/zinc/20/89/64/181208964.db2.gz	SXRKVHYWPFHKBN-UHFFFAOYSA-N	2	1	311.433	3.265	1	0		DGAFMP
Cc1cccnc1C[N@@H+](CCCC[NH3+])[C@@H]1CCCc2cccnc21	ZINC000066076001	184386898	/nfs/dbraw/zinc/38/68/98/184386898.db2.gz	DYIVWDFUVRUDQO-LJQANCHMSA-N	2	1	324.472	3.404	1	0		DGAFMP
Cc1ccnc(C[N@@H+](CCCC[NH3+])[C@@H]2CCCc3cccnc32)c1	ZINC000066076004	184386704	/nfs/dbraw/zinc/38/67/04/184386704.db2.gz	AOYOMCFAVFSUJS-LJQANCHMSA-N	2	1	324.472	3.404	1	0		DGAFMP
F[C@@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1	ZINC000040892058	183146203	/nfs/dbraw/zinc/14/62/03/183146203.db2.gz	CNANVGDNJVODAU-GOSISDBHSA-N	2	1	320.452	3.485	1	0		DGAFMP
F[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1	ZINC000040892058	183146204	/nfs/dbraw/zinc/14/62/04/183146204.db2.gz	CNANVGDNJVODAU-GOSISDBHSA-N	2	1	320.452	3.485	1	0		DGAFMP
Cc1cccnc1C[N@@H+](CCCC[NH3+])[C@H]1CCCc2cccnc21	ZINC000066076002	184387187	/nfs/dbraw/zinc/38/71/87/184387187.db2.gz	DYIVWDFUVRUDQO-IBGZPJMESA-N	2	1	324.472	3.404	1	0		DGAFMP
Cc1ccnc([C@@H](C)[N@@H+](CCCC[NH3+])Cc2ncccc2C)c1	ZINC000066079739	184387554	/nfs/dbraw/zinc/38/75/54/184387554.db2.gz	ODWVSSSPZXBJFJ-QGZVFWFLSA-N	2	1	312.461	3.396	1	0		DGAFMP