smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cnc(-c4ccccc4)s3)CC2)o1	ZINC000011872960	204358736	/nfs/dbraw/zinc/35/87/36/204358736.db2.gz	NIQNQACJJLBKLQ-UHFFFAOYSA-N	1	3	395.572	5.056	50	0		GKAAHO
Cc1ccc(CN2CCC(C[N@H+](C)Cc3cnc(-c4ccccc4)s3)CC2)o1	ZINC000011872960	204358740	/nfs/dbraw/zinc/35/87/40/204358740.db2.gz	NIQNQACJJLBKLQ-UHFFFAOYSA-N	1	3	395.572	5.056	50	0		GKAAHO
Cc1ccccc1C[NH+]1CCC(CNc2c3c(nc4ccccc42)CCC3)CC1	ZINC000006738753	570561066	/nfs/dbraw/zinc/56/10/66/570561066.db2.gz	DATZGHAMRAVMDO-UHFFFAOYSA-N	1	3	385.555	5.356	50	0		GKAAHO
C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1	ZINC000252517867	570984079	/nfs/dbraw/zinc/98/40/79/570984079.db2.gz	SYQUINBMOZCMBX-XEKQOVJPSA-N	1	3	398.403	5.371	50	0		GKAAHO
C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1	ZINC000252517867	570984083	/nfs/dbraw/zinc/98/40/83/570984083.db2.gz	SYQUINBMOZCMBX-XEKQOVJPSA-N	1	3	398.403	5.371	50	0		GKAAHO
C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1	ZINC000089904540	211185374	/nfs/dbraw/zinc/18/53/74/211185374.db2.gz	SYQUINBMOZCMBX-QUJCMNEKSA-N	1	3	398.403	5.371	50	0		GKAAHO
C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1	ZINC000089904540	211185378	/nfs/dbraw/zinc/18/53/78/211185378.db2.gz	SYQUINBMOZCMBX-QUJCMNEKSA-N	1	3	398.403	5.371	50	0		GKAAHO
CN1/C(=C\C=C\C2=[N+](C)C(C)(C)Cc3ccccc32)c2ccccc2CC1(C)C	ZINC000002908727	570538900	/nfs/dbraw/zinc/53/89/00/570538900.db2.gz	PDVNNVWXXXLOEI-UHFFFAOYSA-N	1	3	385.575	5.317	50	0		GKAAHO
C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1	ZINC000089904538	211186083	/nfs/dbraw/zinc/18/60/83/211186083.db2.gz	SYQUINBMOZCMBX-JMERFSKESA-N	1	3	398.403	5.371	50	0		GKAAHO
C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1	ZINC000089904538	211186088	/nfs/dbraw/zinc/18/60/88/211186088.db2.gz	SYQUINBMOZCMBX-JMERFSKESA-N	1	3	398.403	5.371	50	0		GKAAHO
c1ccc(CC[NH+]2CCC(N[C@H](Cc3ccccc3)c3ccccc3)CC2)cc1	ZINC000004022665	570354893	/nfs/dbraw/zinc/35/48/93/570354893.db2.gz	DPCQZDOBXFSWBU-HHHXNRCGSA-N	1	3	384.567	5.267	50	0		GKAAHO
CC(C)(C)P(Cc1cccc(C[PH+](C(C)(C)C)C(C)(C)C)n1)C(C)(C)C	ZINC000035330865	570552279	/nfs/dbraw/zinc/55/22/79/570552279.db2.gz	NJQAVBPPWNSBBC-UHFFFAOYSA-N	1	3	395.552	8.239	50	0		GKAAHO
Cc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)s1	ZINC000055153644	205142863	/nfs/dbraw/zinc/14/28/63/205142863.db2.gz	FRENYHDWKSZDIL-UHFFFAOYSA-N	1	3	383.605	5.108	50	0		GKAAHO
CC(C)(C)[NH+](C/C=C/CN(Cc1ccccc1)Cc1ccccc1)C(C)(C)C	ZINC000001568765	570715805	/nfs/dbraw/zinc/71/58/05/570715805.db2.gz	MKKDEDXLIQXQLI-BUHFOSPRSA-N	1	3	378.604	6.144	50	0		GKAAHO
C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1	ZINC000252517866	570983936	/nfs/dbraw/zinc/98/39/36/570983936.db2.gz	SYQUINBMOZCMBX-WTOJCKNJSA-N	1	3	398.403	5.371	50	0		GKAAHO
C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cc(Cl)c(N)c(Cl)c1	ZINC000252517866	570983939	/nfs/dbraw/zinc/98/39/39/570983939.db2.gz	SYQUINBMOZCMBX-WTOJCKNJSA-N	1	3	398.403	5.371	50	0		GKAAHO
Clc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)s1	ZINC000012581165	570684081	/nfs/dbraw/zinc/68/40/81/570684081.db2.gz	HJPXAPQFGYCZRA-LJQANCHMSA-N	1	3	397.028	5.037	50	0		GKAAHO
C[NH+](C)CCCN(Cc1cccc2ccccc21)Cc1cccc2ccccc21	ZINC000004699237	570843745	/nfs/dbraw/zinc/84/37/45/570843745.db2.gz	AOEHHWAWPXRLNS-UHFFFAOYSA-N	1	3	382.551	5.947	50	0		GKAAHO
Cc1ccsc1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1	ZINC000011937796	221139783	/nfs/dbraw/zinc/13/97/83/221139783.db2.gz	WQOJFDSINWSVDQ-UHFFFAOYSA-N	1	3	383.605	5.108	50	0		GKAAHO
c1ccc(CC[NH+]2CCC(N[C@@H](Cc3ccccc3)c3ccccc3)CC2)cc1	ZINC000004022664	570354913	/nfs/dbraw/zinc/35/49/13/570354913.db2.gz	DPCQZDOBXFSWBU-MHZLTWQESA-N	1	3	384.567	5.267	50	0		GKAAHO
Clc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)s1	ZINC000012581157	570684049	/nfs/dbraw/zinc/68/40/49/570684049.db2.gz	HJPXAPQFGYCZRA-IBGZPJMESA-N	1	3	397.028	5.037	50	0		GKAAHO
Clc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000067689255	570786194	/nfs/dbraw/zinc/78/61/94/570786194.db2.gz	BCKOXUNDMLWYFR-UHFFFAOYSA-N	1	3	397.994	5.392	50	0		GKAAHO
Cc1cccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000012306648	204392906	/nfs/dbraw/zinc/39/29/06/204392906.db2.gz	SQFOYHHKYRLFQA-UHFFFAOYSA-N	1	3	377.576	5.047	50	0		GKAAHO