smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1OC	ZINC000009234889	204359256	/nfs/dbraw/zinc/35/92/56/204359256.db2.gz	XUDOJIZATFVGQC-ONEGZZNKSA-N	-2	1	353.718	2.225	50	5		FEBAML
CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000009338365	204363636	/nfs/dbraw/zinc/36/36/36/204363636.db2.gz	MJYBZHTTWNTFLY-UHFFFAOYSA-N	-2	1	366.351	2.278	50	5		FEBAML
CCOc1cc(Cl)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1O	ZINC000009189661	204357326	/nfs/dbraw/zinc/35/73/26/204357326.db2.gz	OWVIPRPKTARGCM-ONEGZZNKSA-N	-2	1	353.718	2.312	50	5		FEBAML
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000004980371	539398754	/nfs/dbraw/zinc/39/87/54/539398754.db2.gz	BMNUNVGLLCJZAW-UHFFFAOYSA-N	-2	1	352.324	2.102	50	5		FEBAML
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([O-])c(Br)c2)[nH]1	ZINC000015009209	211113228	/nfs/dbraw/zinc/11/32/28/211113228.db2.gz	UCKWOQZFDRKOMP-HNQUOIGGSA-N	-2	1	354.116	2.022	50	5		FEBAML
CNc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000009319648	539500368	/nfs/dbraw/zinc/50/03/68/539500368.db2.gz	UGZBAEVQLPDOAD-UHFFFAOYSA-N	-2	1	351.340	2.136	50	5		FEBAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)ccc1F	ZINC000012983680	220048678	/nfs/dbraw/zinc/04/86/78/220048678.db2.gz	CETSEWIROVXQEK-UHFFFAOYSA-N	-2	1	358.278	2.372	50	5		FEBAML
Cn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c(=O)c2ccccc21	ZINC000017161084	220206553	/nfs/dbraw/zinc/20/65/53/220206553.db2.gz	LSUVZSOGXSREBM-UHFFFAOYSA-N	-2	1	355.306	2.110	50	5		FEBAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1[N+](=O)[O-]	ZINC000005028163	539400322	/nfs/dbraw/zinc/40/03/22/539400322.db2.gz	HIGMSZJQYZYLSP-UHFFFAOYSA-N	-2	1	352.324	2.108	50	5		FEBAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1O	ZINC000020255000	220320678	/nfs/dbraw/zinc/32/06/78/220320678.db2.gz	KGTOUPDTFMIEHG-UHFFFAOYSA-N	-2	1	372.742	2.453	50	5		FEBAML
CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC(=O)[O-]	ZINC000097050539	543003421	/nfs/dbraw/zinc/00/34/21/543003421.db2.gz	RMWBAIBKLCXEJX-JTQLQIEISA-N	-2	1	362.379	2.149	50	5		FEBAML
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000004980343	539397881	/nfs/dbraw/zinc/39/78/81/539397881.db2.gz	CRRHAELCSMSVEN-UHFFFAOYSA-N	-2	1	352.324	2.102	50	5		FEBAML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1O	ZINC000010079053	539512269	/nfs/dbraw/zinc/51/22/69/539512269.db2.gz	PHLIVUDQUAENOD-ONEGZZNKSA-N	-2	1	353.718	2.312	50	5		FEBAML
COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1Br	ZINC000016275828	211159334	/nfs/dbraw/zinc/15/93/34/211159334.db2.gz	VJXGMZRCLDQNHU-HWKANZROSA-N	-2	1	368.143	2.325	50	5		FEBAML
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000004980339	539397439	/nfs/dbraw/zinc/39/74/39/539397439.db2.gz	UUZYQHRKECYFIU-UHFFFAOYSA-N	-2	1	352.324	2.102	50	5		FEBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OC(F)F	ZINC000009235257	539499491	/nfs/dbraw/zinc/49/94/91/539499491.db2.gz	MTDCVKXROMUSJX-HWKANZROSA-N	-2	1	355.253	2.164	50	5		FEBAML
Cn1c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(=O)c2ccccc21	ZINC000017179838	220209531	/nfs/dbraw/zinc/20/95/31/220209531.db2.gz	CMZGVDCHRQIEKD-UHFFFAOYSA-N	-2	1	355.306	2.110	50	5		FEBAML