smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)N3CC[NH+](C)CC3)cc2)C1	ZINC000059260601	205279910	/nfs/dbraw/zinc/27/99/10/205279910.db2.gz	WGDBSIUKEGGNAD-YLJYHZDGSA-N	2	1	371.529	2.529	1	0		FFAFMP
C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(NC(=O)N3CC[NH+](C)CC3)cc2)C1	ZINC000059260601	205279916	/nfs/dbraw/zinc/27/99/16/205279916.db2.gz	WGDBSIUKEGGNAD-YLJYHZDGSA-N	2	1	371.529	2.529	1	0		FFAFMP
CCOC(=O)C[C@@H]1C[C@@H](n2cc(-c3ccccc3)c3c2nc[nH+]c3N)C[NH2+]1	ZINC000040395075	208251243	/nfs/dbraw/zinc/25/12/43/208251243.db2.gz	NSBNFOWYPJTLFF-LSDHHAIUSA-N	2	1	365.437	2.537	1	0		FFAFMP
CCOC(=O)C[C@@H]1C[C@H](n2cc(-c3ccccc3)c3c2nc[nH+]c3N)C[NH2+]1	ZINC000040899241	208275112	/nfs/dbraw/zinc/27/51/12/208275112.db2.gz	NSBNFOWYPJTLFF-GJZGRUSLSA-N	2	1	365.437	2.537	1	0		FFAFMP
CC[N@H+]1CCC[C@@H]1CN(Cc1ccoc1)CC1CC[NH+](CCOC)CC1	ZINC000020538140	521632517	/nfs/dbraw/zinc/63/25/17/521632517.db2.gz	VZNQKXPKGXAFOM-OAQYLSRUSA-N	2	1	363.546	2.924	1	0		FFAFMP
CCN1CCC[C@@H]1C[N@@H+](Cc1ccoc1)CC1CC[NH+](CCOC)CC1	ZINC000020538140	521632522	/nfs/dbraw/zinc/63/25/22/521632522.db2.gz	VZNQKXPKGXAFOM-OAQYLSRUSA-N	2	1	363.546	2.924	1	0		FFAFMP
CCN1CCC[C@@H]1C[N@H+](Cc1ccoc1)CC1CC[NH+](CCOC)CC1	ZINC000020538140	521632525	/nfs/dbraw/zinc/63/25/25/521632525.db2.gz	VZNQKXPKGXAFOM-OAQYLSRUSA-N	2	1	363.546	2.924	1	0		FFAFMP
CCCCNC(=O)c1ccc2[nH+]c(CC)c(N(CC)CC[NH+](C)C)n2c1	ZINC000061908317	212026788	/nfs/dbraw/zinc/02/67/88/212026788.db2.gz	OFCDASAQWSHLLP-UHFFFAOYSA-N	2	1	359.518	2.815	3	0		FFAFMP
Nc1cc(N2CCC(C[NH3+])(c3ccc(Cl)c(Cl)c3)CC2)nc[nH+]1	ZINC000103238971	132237418	/nfs/dbraw/zinc/23/74/18/132237418.db2.gz	COSCWMOBFOBSAO-UHFFFAOYSA-N	2	1	352.269	2.863	1	0		FFAFMP
CCCCCC(=O)C[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCC[N@@H+]12	ZINC000013383028	291058927	/nfs/dbraw/zinc/05/89/27/291058927.db2.gz	RKTWGMYTKBSCLV-OALUTQOASA-N	2	1	363.546	2.805	1	0	biogenic,in-vitro	FFAFMP
CCCCCC(=O)C[C@@H]1C=CC[C@H]2CC(=O)NCCCC[NH2+]CCC[N@H+]12	ZINC000013383028	291058930	/nfs/dbraw/zinc/05/89/30/291058930.db2.gz	RKTWGMYTKBSCLV-OALUTQOASA-N	2	1	363.546	2.805	1	0	biogenic,in-vitro	FFAFMP
CCCCCC(=O)C[C@@H]1C=CC[C@H]2CC(=O)NCCCC[NH2+]CCC[N@@H+]12	ZINC000013383028	291058933	/nfs/dbraw/zinc/05/89/33/291058933.db2.gz	RKTWGMYTKBSCLV-OALUTQOASA-N	2	1	363.546	2.805	1	0	biogenic,in-vitro	FFAFMP
[NH3+]CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1	ZINC000040764379	205081627	/nfs/dbraw/zinc/08/16/27/205081627.db2.gz	QOMHZEDGTJFHRB-UHFFFAOYSA-N	3	1	361.921	2.657	1	0		FFAFMP
NC(=O)[C@H]1CCC[N@H+]([C@H]2CC[C@H]([C@H]([NH3+])Cc3cc(F)ccc3F)CC2)C1	ZINC000101403013	209225300	/nfs/dbraw/zinc/22/53/00/209225300.db2.gz	FBQPVRNOIUERMB-OJFPTFHUSA-N	2	1	365.468	2.591	1	0		FFAFMP
NC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H]([C@H]([NH3+])Cc3cc(F)ccc3F)CC2)C1	ZINC000101403002	209225506	/nfs/dbraw/zinc/22/55/06/209225506.db2.gz	FBQPVRNOIUERMB-BCXHYRKLSA-N	2	1	365.468	2.591	1	0		FFAFMP
Cc1cc(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)on1	ZINC000012440915	207378821	/nfs/dbraw/zinc/37/88/21/207378821.db2.gz	QLHCHBQAZKIPKY-IBGZPJMESA-N	2	1	373.497	2.889	1	0		FFAFMP
CC[N@H+]1CCC[C@H]1CN(Cc1ccoc1)CC1CC[NH+](CCOC)CC1	ZINC000020538142	521653849	/nfs/dbraw/zinc/65/38/49/521653849.db2.gz	VZNQKXPKGXAFOM-NRFANRHFSA-N	2	1	363.546	2.924	1	0		FFAFMP
CCN1CCC[C@H]1C[N@@H+](Cc1ccoc1)CC1CC[NH+](CCOC)CC1	ZINC000020538142	521653852	/nfs/dbraw/zinc/65/38/52/521653852.db2.gz	VZNQKXPKGXAFOM-NRFANRHFSA-N	2	1	363.546	2.924	1	0		FFAFMP
CCN1CCC[C@H]1C[N@H+](Cc1ccoc1)CC1CC[NH+](CCOC)CC1	ZINC000020538142	521653853	/nfs/dbraw/zinc/65/38/53/521653853.db2.gz	VZNQKXPKGXAFOM-NRFANRHFSA-N	2	1	363.546	2.924	1	0		FFAFMP
O=C(N1CCC[N@H+](C2CCC2)CC1)[C@@]1(Cc2cccc(F)c2)CCC[NH2+]1	ZINC000049115657	221019115	/nfs/dbraw/zinc/01/91/15/221019115.db2.gz	SSJOVOMSMARZBB-NRFANRHFSA-N	2	1	359.489	2.577	1	0		FFAFMP
CC1(C)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)[nH+]c4)C[C@H](CO)C3)CC[C@@H]1[C@@H]([NH3+])C2	ZINC000085543246	291057843	/nfs/dbraw/zinc/05/78/43/291057843.db2.gz	ZVWAIVBUSQDSJF-PFGOBXOBSA-N	2	1	373.541	2.906	1	0	biogenic,in-vitro	FFAFMP