smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)CCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000013734652	221285377	/nfs/dbraw/zinc/28/53/77/221285377.db2.gz	JARZSUPGTQDABW-UHFFFAOYSA-N	1	3	397.994	5.473	10	0		GKAEHO
CCN(CC)CCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12	ZINC000013734640	570783808	/nfs/dbraw/zinc/78/38/08/570783808.db2.gz	ZRVITXYMJXCTIW-UHFFFAOYSA-N	1	3	383.967	5.165	10	0		GKAEHO
CCn1c2ccccc2c2cc(CNC3CC[NH+](Cc4ccccc4)CC3)ccc21	ZINC000010315384	221100139	/nfs/dbraw/zinc/10/01/39/221100139.db2.gz	MJSROBBKFJBIHR-UHFFFAOYSA-N	1	3	397.566	5.569	10	0		GKAEHO
Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814804	221125667	/nfs/dbraw/zinc/12/56/67/221125667.db2.gz	UETGAAZIQSJFOB-AREMUKBSSA-N	1	3	385.555	5.031	10	0		GKAEHO
Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814804	221125668	/nfs/dbraw/zinc/12/56/68/221125668.db2.gz	UETGAAZIQSJFOB-AREMUKBSSA-N	1	3	385.555	5.031	10	0		GKAEHO
Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814802	221125830	/nfs/dbraw/zinc/12/58/30/221125830.db2.gz	UETGAAZIQSJFOB-SANMLTNESA-N	1	3	385.555	5.031	10	0		GKAEHO
Cc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc5cnccc54)C3)C2)c1	ZINC000011814802	221125832	/nfs/dbraw/zinc/12/58/32/221125832.db2.gz	UETGAAZIQSJFOB-SANMLTNESA-N	1	3	385.555	5.031	10	0		GKAEHO
CC[N@@H+]1CCC[C@@H]1CNCc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000022936888	570338798	/nfs/dbraw/zinc/33/87/98/570338798.db2.gz	MCGPNSNPADXIBH-HXUWFJFHSA-N	1	3	395.978	5.225	10	0		GKAEHO
CC[N@H+]1CCC[C@@H]1CNCc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000022936888	570338800	/nfs/dbraw/zinc/33/88/00/570338800.db2.gz	MCGPNSNPADXIBH-HXUWFJFHSA-N	1	3	395.978	5.225	10	0		GKAEHO
CC[N@@H+]1CCC[C@H]1CNCc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000022936890	204794284	/nfs/dbraw/zinc/79/42/84/204794284.db2.gz	MCGPNSNPADXIBH-FQEVSTJZSA-N	1	3	395.978	5.225	10	0		GKAEHO
CC[N@H+]1CCC[C@H]1CNCc1c(C)n(Cc2ccccc2Cl)c2ccccc12	ZINC000022936890	204794288	/nfs/dbraw/zinc/79/42/88/204794288.db2.gz	MCGPNSNPADXIBH-FQEVSTJZSA-N	1	3	395.978	5.225	10	0		GKAEHO
C(/C=C/C=C/N1CCC(c2ccccc2)CC1)=[N+]1CCC(c2ccccc2)CC1	ZINC000090628403	206297921	/nfs/dbraw/zinc/29/79/21/206297921.db2.gz	KHAVSEINBAARJV-UHFFFAOYSA-N	1	3	385.575	5.597	10	0		GKAEHO