smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCN1C[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O	ZINC000746136065	1070097321	/nfs/dbraw/zinc/09/73/21/1070097321.db2.gz	ATEDLZUYOQRCEC-KRWDZBQOSA-N	0	3	422.551	-0.052	20	10		HBCDHN
CN(C)CCN1C[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O	ZINC000746136066	1070097457	/nfs/dbraw/zinc/09/74/57/1070097457.db2.gz	ATEDLZUYOQRCEC-QGZVFWFLSA-N	0	3	422.551	-0.052	20	10		HBCDHN
COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@]4(C3)NC(=O)NC4=O)CC2)cc1	ZINC000789377014	1070436424	/nfs/dbraw/zinc/43/64/24/1070436424.db2.gz	BKHXBJOVMQUHBB-DYESRHJHSA-N	0	3	417.510	-0.148	20	10		HBCDHN
COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@]4(C3)NC(=O)NC4=O)CC2)cc1	ZINC000789377018	1070436623	/nfs/dbraw/zinc/43/66/23/1070436623.db2.gz	BKHXBJOVMQUHBB-LAUBAEHRSA-N	0	3	417.510	-0.148	20	10		HBCDHN
COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@]4(C3)NC(=O)NC4=O)CC2)cc1	ZINC000789377020	1070436649	/nfs/dbraw/zinc/43/66/49/1070436649.db2.gz	BKHXBJOVMQUHBB-UTKZUKDTSA-N	0	3	417.510	-0.148	20	10		HBCDHN
COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@]4(C3)NC(=O)NC4=O)CC2)cc1	ZINC000789377022	1070436341	/nfs/dbraw/zinc/43/63/41/1070436341.db2.gz	BKHXBJOVMQUHBB-UWJYYQICSA-N	0	3	417.510	-0.148	20	10		HBCDHN
COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]4OCC(=O)N[C@@H]4C3)CC2)cc1	ZINC001170905202	1070974132	/nfs/dbraw/zinc/97/41/32/1070974132.db2.gz	MUEMRYHKGRTDTE-DFQSSKMNSA-N	0	3	404.511	-0.233	20	10		HBCDHN
COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H]4OCC(=O)N[C@@H]4C3)CC2)cc1	ZINC001170905203	1070974327	/nfs/dbraw/zinc/97/43/27/1070974327.db2.gz	MUEMRYHKGRTDTE-MISYRCLQSA-N	0	3	404.511	-0.233	20	10		HBCDHN
CNC(=O)CN1CCCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC001197960771	1071755899	/nfs/dbraw/zinc/75/58/99/1071755899.db2.gz	YEWAGEBLSGZAKQ-FQEVSTJZSA-N	0	3	419.570	-0.068	20	10		HBCDHN
CNC(=O)CN1CCCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1	ZINC001197960778	1071755973	/nfs/dbraw/zinc/75/59/73/1071755973.db2.gz	YEWAGEBLSGZAKQ-HXUWFJFHSA-N	0	3	419.570	-0.068	20	10		HBCDHN