smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1F	ZINC000226862851	206123479	/nfs/dbraw/zinc/12/34/79/206123479.db2.gz	ZAQYPDBXIIDDKA-UHFFFAOYSA-N	-1	1	365.169	3.842	10	5		FHBEMM
Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)c[n-]c12	ZINC000040359313	205066720	/nfs/dbraw/zinc/06/67/20/205066720.db2.gz	VEMAFUADFPKGSR-UHFFFAOYSA-N	-1	1	357.753	3.650	10	5		FHBEMM
Cc1ccc([N-]c2ncnc(N(CC(C)C)CC(C)C)c2[N+](=O)[O-])nc1	ZINC000040613977	205075183	/nfs/dbraw/zinc/07/51/83/205075183.db2.gz	SUNQJCDLBLMBET-UHFFFAOYSA-N	-1	1	358.446	3.950	10	5		FHBEMM
COC(=O)c1ccccc1[N-]c1ncnc(Nc2ccccc2)c1[N+](=O)[O-]	ZINC000040645595	205074997	/nfs/dbraw/zinc/07/49/97/205074997.db2.gz	QAOVZPBYGCBILU-UHFFFAOYSA-N	-1	1	365.349	3.659	10	5		FHBEMM
Cc1ccc2cccc(Oc3[n-]cnc(=NNC(C)(C)C)c3[N+](=O)[O-])c2n1	ZINC000040618681	205075113	/nfs/dbraw/zinc/07/51/13/205075113.db2.gz	VIYXNLWAPZWOFN-UHFFFAOYSA-N	-1	1	368.397	3.749	10	5		FHBEMM
COc1ccccc1Nc1[n-]cnc(=NNc2ccccc2)c1[N+](=O)[O-]	ZINC000040624464	205074259	/nfs/dbraw/zinc/07/42/59/205074259.db2.gz	RCZGYNPXLYYESB-UHFFFAOYSA-N	-1	1	352.354	3.576	10	5		FHBEMM
Cc1cccc(Nc2ncnc([N-]c3cccnc3Cl)c2[N+](=O)[O-])n1	ZINC000040584894	205073273	/nfs/dbraw/zinc/07/32/73/205073273.db2.gz	BJPSKRWNAVPAMN-UHFFFAOYSA-N	-1	1	357.761	3.624	10	5		FHBEMM
Cc1cc(Oc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])ccc1Cl	ZINC000040659901	205075381	/nfs/dbraw/zinc/07/53/81/205075381.db2.gz	CTTKSYKTLPQEPC-UHFFFAOYSA-N	-1	1	351.794	3.854	10	5		FHBEMM
Cc1ccc([N-]c2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])nc1	ZINC000040660626	205075884	/nfs/dbraw/zinc/07/58/84/205075884.db2.gz	SOIQFBAQKOOTIR-UHFFFAOYSA-N	-1	1	358.308	3.854	10	5		FHBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1F	ZINC000226862678	209368622	/nfs/dbraw/zinc/36/86/22/209368622.db2.gz	GWIHWQFSWCMLCU-UHFFFAOYSA-N	-1	1	364.276	3.554	10	5		FHBEMM
O=[N+]([O-])c1c(Nc2cc(F)ccc2F)[n-]cnc1=NNc1ccccc1	ZINC000040624710	208259239	/nfs/dbraw/zinc/25/92/39/208259239.db2.gz	DEHVHLQMMCVFBV-UHFFFAOYSA-N	-1	1	358.308	3.846	10	5		FHBEMM
CCOc1ccccc1Nc1[n-]cnc(=NNc2ccccc2)c1[N+](=O)[O-]	ZINC000040624759	208259553	/nfs/dbraw/zinc/25/95/53/208259553.db2.gz	RAONDWIDOLYZAR-UHFFFAOYSA-N	-1	1	366.381	3.966	10	5		FHBEMM
Cc1ccc([N-]c2ncnc(Nc3ccc(F)c(F)c3)c2[N+](=O)[O-])nc1	ZINC000040660628	208261547	/nfs/dbraw/zinc/26/15/47/208261547.db2.gz	GWMGQSIRXMFRGC-UHFFFAOYSA-N	-1	1	358.308	3.854	10	5		FHBEMM
CCCCc1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000226862837	209368037	/nfs/dbraw/zinc/36/80/37/209368037.db2.gz	YSFUZZYWVSLZDG-UHFFFAOYSA-N	-1	1	352.387	3.877	10	5		FHBEMM
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c[n-]c2c(C)c(Cl)ccc2c1=O	ZINC000040359406	208249020	/nfs/dbraw/zinc/24/90/20/208249020.db2.gz	YFKRIIXXZDYYAY-UHFFFAOYSA-N	-1	1	371.780	3.959	10	5		FHBEMM
COc1ccc(Oc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624789	208259921	/nfs/dbraw/zinc/25/99/21/208259921.db2.gz	MREKCQWQXWXUHC-UHFFFAOYSA-N	-1	1	353.338	3.625	10	5		FHBEMM
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c[n-]c2cc(Cl)ccc2c1=O	ZINC000041056039	208281070	/nfs/dbraw/zinc/28/10/70/208281070.db2.gz	WKYXENZMEBUFIV-UHFFFAOYSA-N	-1	1	357.753	3.650	10	5		FHBEMM
COc1ccc(Cl)cc1Nc1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040589768	208258449	/nfs/dbraw/zinc/25/84/49/208258449.db2.gz	JQQIJBXGYDFCDX-UHFFFAOYSA-N	-1	1	366.809	3.505	10	5		FHBEMM
Cc1ccc([N-]c2ncnc(Nc3ccc(F)cc3F)c2[N+](=O)[O-])nc1	ZINC000040660627	208260750	/nfs/dbraw/zinc/26/07/50/208260750.db2.gz	VMPLYLNMHDYZEN-UHFFFAOYSA-N	-1	1	358.308	3.854	10	5		FHBEMM
CCCCNc1ncnc([N-]c2ccccc2C(=O)OCC)c1[N+](=O)[O-]	ZINC000040595486	208257920	/nfs/dbraw/zinc/25/79/20/208257920.db2.gz	VSHSPCNVSDMIRA-UHFFFAOYSA-N	-1	1	359.386	3.517	10	5		FHBEMM
CCCCN(C)c1ncnc([N-]c2ccccc2C(=O)OCC)c1[N+](=O)[O-]	ZINC000040612135	208259342	/nfs/dbraw/zinc/25/93/42/208259342.db2.gz	ZPDIBVMQOVRDQK-UHFFFAOYSA-N	-1	1	373.413	3.541	10	5		FHBEMM
COc1ccc(Nc2ncnc([N-]c3ccc(C)cn3)c2[N+](=O)[O-])cc1	ZINC000040649517	208261998	/nfs/dbraw/zinc/26/19/98/208261998.db2.gz	SROOTGJQNSURPM-UHFFFAOYSA-N	-1	1	352.354	3.584	10	5		FHBEMM
O=[N+]([O-])c1c(Nc2ccc(F)cc2F)[n-]cnc1=NNc1ccccc1	ZINC000040624713	208258395	/nfs/dbraw/zinc/25/83/95/208258395.db2.gz	YEBMVYFFXNDJPD-UHFFFAOYSA-N	-1	1	358.308	3.846	10	5		FHBEMM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc3ccccc3c2)c2nonc21	ZINC000005338717	570647849	/nfs/dbraw/zinc/64/78/49/570647849.db2.gz	SRPRTDZRPFWLFQ-UHFFFAOYSA-N	-1	1	351.278	3.936	10	5		FHBEMM
O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2c1	ZINC000020491976	220329039	/nfs/dbraw/zinc/32/90/39/220329039.db2.gz	MJSDRDHTESMMBL-UHFFFAOYSA-N	-1	1	369.761	3.669	10	5		FHBEMM