smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1	ZINC000216832811	571600142	/nfs/dbraw/zinc/60/01/42/571600142.db2.gz	FXHNIXIDZNQELK-UHFFFAOYSA-N	1	1	502.593	1.113	40	70		KDIBMO
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000216836320	571600075	/nfs/dbraw/zinc/60/00/75/571600075.db2.gz	LSXAJKOWWQZATK-UHFFFAOYSA-N	1	1	516.620	1.421	40	70		KDIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)cc2)CC1	ZINC000216838168	571600370	/nfs/dbraw/zinc/60/03/70/571600370.db2.gz	VLVBWTRLOSEAJD-UHFFFAOYSA-N	1	1	537.038	1.766	40	70		KDIBMO
COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(Cl)c1	ZINC000216838304	571600352	/nfs/dbraw/zinc/60/03/52/571600352.db2.gz	FTRCHXWTZMLKDM-UHFFFAOYSA-N	1	1	525.027	1.670	40	70		KDIBMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1	ZINC000216840888	571600480	/nfs/dbraw/zinc/60/04/80/571600480.db2.gz	KRLAFHIQLKYGIG-UHFFFAOYSA-N	1	1	500.621	1.666	40	70		KDIBMO
COc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000216842015	571600562	/nfs/dbraw/zinc/60/05/62/571600562.db2.gz	YWZBSPYCLJKOPC-UHFFFAOYSA-N	1	1	502.593	1.356	40	70		KDIBMO
COc1cc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1OC	ZINC000217351744	571600936	/nfs/dbraw/zinc/60/09/36/571600936.db2.gz	XCVPKARWEVZHBB-RBUKOAKNSA-N	1	1	538.601	1.573	40	70		KDIBMO
COc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1OC	ZINC000217358070	571600942	/nfs/dbraw/zinc/60/09/42/571600942.db2.gz	YSIUGLOPEBEYLR-PKOBYXMFSA-N	1	1	538.601	1.573	40	70		KDIBMO
COc1ccc(OC)c(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)c1	ZINC000217359318	571600928	/nfs/dbraw/zinc/60/09/28/571600928.db2.gz	QUPGLVOQKHQZAE-PKOBYXMFSA-N	1	1	508.575	1.564	40	70		KDIBMO