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-])c1ccc(O)c(N2C(=S)N[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000217414075	304803836	/nfs/dbraw/zinc/80/38/36/304803836.db2.gz	ALSJGGVDKFNZDA-IONNQARKSA-N	0	2	329.359	0.161	40	5		ECBBLN
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000012476641	436051161	/nfs/dbraw/zinc/05/11/61/436051161.db2.gz	MEWCOUFEVMLROZ-UHFFFAOYSA-N	0	2	340.317	0.389	40	5		ECBBLN
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016429278	436091983	/nfs/dbraw/zinc/09/19/83/436091983.db2.gz	UVIDHWCYONHNTG-NSHDSACASA-N	0	2	340.317	0.292	40	5		ECBBLN
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016429278	436091987	/nfs/dbraw/zinc/09/19/87/436091987.db2.gz	UVIDHWCYONHNTG-NSHDSACASA-N	0	2	340.317	0.292	40	5		ECBBLN
CC(=O)OCCn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2	ZINC000001666568	435962036	/nfs/dbraw/zinc/96/20/36/435962036.db2.gz	PVRDHKBVCDWVPD-UHFFFAOYSA-N	0	2	328.328	0.765	40	5		ECBBLN
COC(=O)[C@H]1N(C(=O)OC)c2ccc([N+](=O)[O-])cc2S1(=O)=O	ZINC000012417569	436052171	/nfs/dbraw/zinc/05/21/71/436052171.db2.gz	MCTRITRIXRFPGF-VIFPVBQESA-N	0	2	330.274	0.454	40	5		ECBBLN
O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016429275	436091833	/nfs/dbraw/zinc/09/18/33/436091833.db2.gz	UVIDHWCYONHNTG-LLVKDONJSA-N	0	2	340.317	0.292	40	5		ECBBLN
O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016429275	436091839	/nfs/dbraw/zinc/09/18/39/436091839.db2.gz	UVIDHWCYONHNTG-LLVKDONJSA-N	0	2	340.317	0.292	40	5		ECBBLN
COC(=O)c1n[nH]c(-c2n[nH]c(C(=O)OC)c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000008763900	436032019	/nfs/dbraw/zinc/03/20/19/436032019.db2.gz	ZBEHDGJBGCQKFT-UHFFFAOYSA-N	0	2	340.208	0.189	40	5		ECBBLN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000036716303	213113740	/nfs/dbraw/zinc/11/37/40/213113740.db2.gz	BGOAQRLIMVSLJE-UHFFFAOYSA-N	0	2	326.290	0.081	40	5		ECBBLN
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000032185011	436235423	/nfs/dbraw/zinc/23/54/23/436235423.db2.gz	PLCKWLMQQQLKLU-UHFFFAOYSA-N	0	2	326.290	0.081	40	5		ECBBLN
Cc1c(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cccc1[N+](=O)[O-]	ZINC000223283718	436705434	/nfs/dbraw/zinc/70/54/34/436705434.db2.gz	IDXQRBYHORFWPD-UHFFFAOYSA-N	0	2	326.290	0.081	40	5		ECBBLN
COC(=O)[C@@H]1N(C(=O)OC)c2ccc([N+](=O)[O-])cc2S1(=O)=O	ZINC000012417566	277373184	/nfs/dbraw/zinc/37/31/84/277373184.db2.gz	MCTRITRIXRFPGF-SECBINFHSA-N	0	2	330.274	0.454	40	5		ECBBLN
COc1ccc([C@H](C[N+](=O)[O-])c2c(O)[nH]c(=O)[nH]c2=O)cc1OC	ZINC000001448928	435958742	/nfs/dbraw/zinc/95/87/42/435958742.db2.gz	INBGGGJSBAKBRD-QMMMGPOBSA-N	0	2	337.288	0.046	40	5		ECBBLN
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000223284860	436705507	/nfs/dbraw/zinc/70/55/07/436705507.db2.gz	DWFFZULLIPGVTN-UHFFFAOYSA-N	0	2	340.317	0.389	40	5		ECBBLN
O=[N+]([O-])c1ccc(O)c(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000217414301	545920342	/nfs/dbraw/zinc/92/03/42/545920342.db2.gz	ALSJGGVDKFNZDA-APPZFPTMSA-N	0	2	329.359	0.161	40	5		ECBBLN
COC(=O)COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000006440806	436000580	/nfs/dbraw/zinc/00/05/80/436000580.db2.gz	QXFFYDISPYZDTQ-QPJJXVBHSA-N	0	2	347.283	0.694	40	5		ECBBLN
COc1ccc([C@@H](C[N+](=O)[O-])c2c(O)[nH]c(=O)[nH]c2=O)cc1OC	ZINC000001448927	435957637	/nfs/dbraw/zinc/95/76/37/435957637.db2.gz	INBGGGJSBAKBRD-MRVPVSSYSA-N	0	2	337.288	0.046	40	5		ECBBLN
CCc1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1N	ZINC000409168450	438583220	/nfs/dbraw/zinc/58/32/20/438583220.db2.gz	MOCBTSWIARWMRT-UHFFFAOYSA-N	0	2	338.349	0.899	40	5		ECBBLN
O=[N+]([O-])c1ccc(O)c(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000217414233	545920528	/nfs/dbraw/zinc/92/05/28/545920528.db2.gz	ALSJGGVDKFNZDA-VXNVDRBHSA-N	0	2	329.359	0.161	40	5		ECBBLN
CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])o2)NC(=O)N[C@]1(O)C(F)(F)F	ZINC000001480277	435957900	/nfs/dbraw/zinc/95/79/00/435957900.db2.gz	OQVZRZYLFMNKGQ-QXFUBDJGSA-N	0	2	337.210	0.998	40	5		ECBBLN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O	ZINC000223284694	436704369	/nfs/dbraw/zinc/70/43/69/436704369.db2.gz	AUBPYXBRFHUXHT-UHFFFAOYSA-N	0	2	340.317	0.389	40	5		ECBBLN
O=[N+]([O-])c1ccc(O)c(N2C(=S)N[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000217414157	545921047	/nfs/dbraw/zinc/92/10/47/545921047.db2.gz	ALSJGGVDKFNZDA-CBAPKCEASA-N	0	2	329.359	0.161	40	5		ECBBLN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000223283622	436704588	/nfs/dbraw/zinc/70/45/88/436704588.db2.gz	GQPXFGIKPZMYHC-UHFFFAOYSA-N	0	2	326.290	0.081	40	5		ECBBLN
CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])o2)NC(=O)N[C@]1(O)C(F)(F)F	ZINC000004192835	277100162	/nfs/dbraw/zinc/10/01/62/277100162.db2.gz	OQVZRZYLFMNKGQ-OYNCUSHFSA-N	0	2	337.210	0.998	40	5		ECBBLN
Cn1c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2n(C)c1=O	ZINC000033411065	436254185	/nfs/dbraw/zinc/25/41/85/436254185.db2.gz	XRQVXRYKODLDKZ-HYXAFXHYSA-N	0	2	343.299	0.745	40	5		ECBBLN
NC(=O)COc1ccccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000032690740	436241354	/nfs/dbraw/zinc/24/13/54/436241354.db2.gz	UCHUKJLFMCMRQL-WAYWQWQTSA-N	0	2	332.272	0.418	40	5		ECBBLN
CC(=O)CCn1nc([N+](=O)[O-])nc1-c1nc(Br)n[nH]1	ZINC000006186098	435997874	/nfs/dbraw/zinc/99/78/74/435997874.db2.gz	GWGPIEDLMGIXEO-UHFFFAOYSA-N	0	2	330.102	0.713	40	5		ECBBLN
Nc1nnc2nc(CC(=O)c3cccc([N+](=O)[O-])c3Cl)c(=O)[nH]n12	ZINC000016942963	436098401	/nfs/dbraw/zinc/09/84/01/436098401.db2.gz	UKMYSPILUDDOFH-UHFFFAOYSA-N	0	2	349.694	0.794	40	5		ECBBLN