smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000514291748	1066363912	/nfs/dbraw/zinc/36/39/12/1066363912.db2.gz	HAZXOSQAHLSZAI-RUZDIDTESA-N	0	1	559.689	3.532	20	5		KHBDMN
O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000514291749	1066364020	/nfs/dbraw/zinc/36/40/20/1066364020.db2.gz	HAZXOSQAHLSZAI-VWLOTQADSA-N	0	1	559.689	3.532	20	5		KHBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000514292857	1066332614	/nfs/dbraw/zinc/33/26/14/1066332614.db2.gz	NOHRPFKBHKQJRU-HHHXNRCGSA-N	0	1	587.743	3.804	20	5		KHBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000514292858	1066332872	/nfs/dbraw/zinc/33/28/72/1066332872.db2.gz	NOHRPFKBHKQJRU-MHZLTWQESA-N	0	1	587.743	3.804	20	5		KHBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3N3CCN(CC)CC3)CC2)c([N+](=O)[O-])c1	ZINC000514299323	1066354129	/nfs/dbraw/zinc/35/41/29/1066354129.db2.gz	LGXNKTDMCGFKLB-UHFFFAOYSA-N	0	1	572.732	3.622	20	5		KHBDMN
COc1cccc([C@@H](CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)N2CCCC2)c1	ZINC000514378605	1066395177	/nfs/dbraw/zinc/39/51/77/1066395177.db2.gz	IGZOEYCJDYTBLL-GDLZYMKVSA-N	0	1	599.754	3.948	20	5		KHBDMN
COc1cccc([C@H](CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)N2CCCC2)c1	ZINC000514378820	1066394722	/nfs/dbraw/zinc/39/47/22/1066394722.db2.gz	IGZOEYCJDYTBLL-LJAQVGFWSA-N	0	1	599.754	3.948	20	5		KHBDMN
CCN1CCN(c2ccccc2NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)CC1	ZINC000514381832	1066448090	/nfs/dbraw/zinc/44/80/90/1066448090.db2.gz	ACCMVXLOVNJLKK-UHFFFAOYSA-N	0	1	584.743	3.766	20	5		KHBDMN
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000514387349	1066418542	/nfs/dbraw/zinc/41/85/42/1066418542.db2.gz	DJJPENLBWAIYBY-JOCHJYFZSA-N	0	1	505.040	3.881	20	5		KHBDMN
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000514387350	1066418503	/nfs/dbraw/zinc/41/85/03/1066418503.db2.gz	DJJPENLBWAIYBY-QFIPXVFZSA-N	0	1	505.040	3.881	20	5		KHBDMN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCCN(Cc4ccccc4)CC3)CC2)c([N+](=O)[O-])c1	ZINC000514393309	1066464955	/nfs/dbraw/zinc/46/49/55/1066464955.db2.gz	WHMSZNHBVLGRKJ-UHFFFAOYSA-N	0	1	557.717	3.576	20	5		KHBDMN
CC(=O)N1CCN(c2ccc(C(=O)N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2[N+](=O)[O-])CC1	ZINC000514395181	1066474298	/nfs/dbraw/zinc/47/42/98/1066474298.db2.gz	DXKFVIMIJBGXBL-UHFFFAOYSA-N	0	1	533.551	3.630	20	5		KHBDMN