smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409166401	559243226	/nfs/dbraw/zinc/24/32/26/559243226.db2.gz	FKMLMCPLDGOIPW-GZTJUZNOSA-N	-1	3	409.785	4.606	40	5		HJBBHM
Cc1ccc([N-]C(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1	ZINC000006546286	569333254	/nfs/dbraw/zinc/33/32/54/569333254.db2.gz	SZMHHUBLCHTUGA-UHFFFAOYSA-N	-1	3	409.467	4.907	40	5		HJBBHM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000409090959	560675331	/nfs/dbraw/zinc/67/53/31/560675331.db2.gz	RXACKTNZCZUOFW-WOJGMQOQSA-N	-1	3	423.812	4.914	40	5		HJBBHM
Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2ccccc2[O-])c(C)c1	ZINC000408607807	559221344	/nfs/dbraw/zinc/22/13/44/559221344.db2.gz	UYZPDOUSNPMZOS-UHFFFAOYSA-N	-1	3	419.466	4.711	40	5		HJBBHM
Cc1ccc([N-]C(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000017092695	569273730	/nfs/dbraw/zinc/27/37/30/569273730.db2.gz	BLPJVCATQSDHLX-UHFFFAOYSA-N	-1	3	421.478	4.609	40	5		HJBBHM
O=C1[N-]C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409171796	559243681	/nfs/dbraw/zinc/24/36/81/559243681.db2.gz	AOMAJDZZFZUOSB-BOPFTXTBSA-N	-1	3	409.785	4.606	40	5		HJBBHM
COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-]	ZINC000021123871	568461676	/nfs/dbraw/zinc/46/16/76/568461676.db2.gz	RLXUKYDHEHOBRQ-UHFFFAOYSA-N	-1	3	417.761	4.677	40	5		HJBBHM
O=C1[N-]C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1cccc(Cl)c1	ZINC000409066472	559239612	/nfs/dbraw/zinc/23/96/12/559239612.db2.gz	OVDREZDXWJZSMH-BOPFTXTBSA-N	-1	3	409.785	4.606	40	5		HJBBHM
Cc1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409095145	559240695	/nfs/dbraw/zinc/24/06/95/559240695.db2.gz	BOBNQRNALAEYFM-GZTJUZNOSA-N	-1	3	423.812	4.914	40	5		HJBBHM
CC(C)(C)NC(=O)c1sc2c(cccc2[N-]C(=O)c2ccc([N+](=O)[O-])o2)c1Cl	ZINC000059294475	568950287	/nfs/dbraw/zinc/95/02/87/568950287.db2.gz	LNYHSJAYMMHUFC-UHFFFAOYSA-N	-1	3	421.862	4.837	40	5		HJBBHM
O=Cc1ccc(Sc2nnc(-c3ccccc3[O-])n2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000408608461	559221358	/nfs/dbraw/zinc/22/13/58/559221358.db2.gz	WKIHVFIGHBXFKB-UHFFFAOYSA-N	-1	3	418.434	4.512	40	5		HJBBHM
COc1cc(-c2nc(=O)c3c4c(sc3[n-]2)CCCCCC4)c([N+](=O)[O-])cc1OC	ZINC000408994695	560663152	/nfs/dbraw/zinc/66/31/52/560663152.db2.gz	ZQSFURAUIASQKD-UHFFFAOYSA-N	-1	3	415.471	4.648	40	5		HJBBHM
O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1	ZINC000038753026	571079132	/nfs/dbraw/zinc/07/91/32/571079132.db2.gz	UEFTXBPRXGIAIL-UHFFFAOYSA-N	-1	3	404.831	4.841	40	5		HJBBHM
Cc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000021595281	568467611	/nfs/dbraw/zinc/46/76/11/568467611.db2.gz	VTZWQJKODXETGE-FMIVXFBMSA-N	-1	3	407.451	4.690	40	5		HJBBHM
O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2[O-])n1-c1ccccc1	ZINC000408607798	559221364	/nfs/dbraw/zinc/22/13/64/559221364.db2.gz	UTISEQZXADMCHV-UHFFFAOYSA-N	-1	3	418.434	4.512	40	5		HJBBHM
O=C1[N-]C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1	ZINC000409226424	559245673	/nfs/dbraw/zinc/24/56/73/559245673.db2.gz	NULKKVQPBKRIFL-WJDWOHSUSA-N	-1	3	409.785	4.606	40	5		HJBBHM
O=C1[N-]C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1	ZINC000409017529	559237097	/nfs/dbraw/zinc/23/70/97/559237097.db2.gz	XDLGJWPWLJKQPI-LFIBNONCSA-N	-1	3	409.785	4.606	40	5		HJBBHM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000409247290	559246793	/nfs/dbraw/zinc/24/67/93/559246793.db2.gz	MCNRBPYBPRQQNR-WQRHYEAKSA-N	-1	3	423.812	4.914	40	5		HJBBHM
COc1ccc([N-]C(=S)NC(=O)c2cccc3c(Cl)cccc23)c([N+](=O)[O-])c1	ZINC000017090420	569273951	/nfs/dbraw/zinc/27/39/51/569273951.db2.gz	FPWNKWBNNFKWKJ-UHFFFAOYSA-N	-1	3	415.858	4.537	40	5		HJBBHM
O=C1[N-]C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccccc1	ZINC000409020723	559236983	/nfs/dbraw/zinc/23/69/83/559236983.db2.gz	SLUPEAWOCLYTBF-GZTJUZNOSA-N	-1	3	409.785	4.606	40	5		HJBBHM
Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C	ZINC000408623772	559221805	/nfs/dbraw/zinc/22/18/05/559221805.db2.gz	RYUWLAWHTAWSSK-UHFFFAOYSA-N	-1	3	401.532	4.631	40	5		HJBBHM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000409241971	560702482	/nfs/dbraw/zinc/70/24/82/560702482.db2.gz	ZPBRTTCWANBCKN-WOJGMQOQSA-N	-1	3	423.812	4.914	40	5		HJBBHM
O=c1[n-]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2ccccc12	ZINC000409253789	560703762	/nfs/dbraw/zinc/70/37/62/560703762.db2.gz	CBWFIPGTWYXUDM-UHFFFAOYSA-N	-1	3	412.199	4.521	40	5		HJBBHM
O=C1[N-]C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1	ZINC000013546665	558842386	/nfs/dbraw/zinc/84/23/86/558842386.db2.gz	NWGMWDLBDNVMEO-LFIBNONCSA-N	-1	3	409.785	4.606	40	5		HJBBHM
Cc1ccc([N-]C(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1	ZINC000017092701	569273591	/nfs/dbraw/zinc/27/35/91/569273591.db2.gz	PAQGKWOEVOSYEK-UHFFFAOYSA-N	-1	3	421.478	4.609	40	5		HJBBHM
Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2ccccc2[O-])c(C)c1	ZINC000408607497	559221319	/nfs/dbraw/zinc/22/13/19/559221319.db2.gz	SQKPESIIRRHBSA-UHFFFAOYSA-N	-1	3	419.466	4.711	40	5		HJBBHM
Cc1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-]	ZINC000409173469	559243569	/nfs/dbraw/zinc/24/35/69/559243569.db2.gz	NRWMLHYVVRWYBP-GZTJUZNOSA-N	-1	3	423.812	4.914	40	5		HJBBHM
COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-]	ZINC000021124297	568461642	/nfs/dbraw/zinc/46/16/42/568461642.db2.gz	KTAIJUXDNGJORG-UHFFFAOYSA-N	-1	3	417.761	4.677	40	5		HJBBHM
Cc1ccc([N-]C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000408616938	559221625	/nfs/dbraw/zinc/22/16/25/559221625.db2.gz	ATKVLWZZVVTQSV-UHFFFAOYSA-N	-1	3	401.762	4.977	40	5		HJBBHM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000409072550	559239754	/nfs/dbraw/zinc/23/97/54/559239754.db2.gz	CQCVUGOWMQWOCV-WQRHYEAKSA-N	-1	3	423.812	4.914	40	5		HJBBHM
O=C([N-]c1ncnc2oc(-c3ccco3)c(-c3ccco3)c21)c1ccccc1[N+](=O)[O-]	ZINC000408975052	560660097	/nfs/dbraw/zinc/66/00/97/560660097.db2.gz	JBNWGZLUJUPMMA-UHFFFAOYSA-N	-1	3	416.349	4.903	40	5		HJBBHM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)ccc21	ZINC000020455346	568608798	/nfs/dbraw/zinc/60/87/98/568608798.db2.gz	PNYJCXAEPIPLOU-UHFFFAOYSA-N	-1	3	409.467	4.665	40	5		HJBBHM
Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000020969369	568653919	/nfs/dbraw/zinc/65/39/19/568653919.db2.gz	OPIKTJJELDIVEW-UHFFFAOYSA-N	-1	3	405.414	4.606	40	5		HJBBHM
O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000007688032	569300458	/nfs/dbraw/zinc/30/04/58/569300458.db2.gz	QDOIMPZJSDETAF-UHFFFAOYSA-N	-1	3	406.876	4.644	40	5		HJBBHM