smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Oc2ncnc([N-]c3ccc(F)cc3F)c2[N+](=O)[O-])cc1	ZINC000040659799	205076358	/nfs/dbraw/zinc/07/63/58/205076358.db2.gz	OMSZCYKFHNLEJV-UHFFFAOYSA-N	-1	1	358.304	4.507	10	5		FJBEMM
O=[N+]([O-])c1c(Cl)c(Cl)[nH]c1Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000006091200	210230487	/nfs/dbraw/zinc/23/04/87/210230487.db2.gz	ZIOBWQJYKHDNKP-UHFFFAOYSA-N	-1	1	355.992	4.833	10	5	in-vitro	FJBEMM
Cc1ccc([N-]c2ncnc(Nc3cccc4ccccc43)c2[N+](=O)[O-])nc1	ZINC000040627316	205074857	/nfs/dbraw/zinc/07/48/57/205074857.db2.gz	VKYJZKPXVPNKAL-UHFFFAOYSA-N	-1	1	372.388	4.729	10	5		FJBEMM
O=S(=O)([N-]c1ccnc2c3ccccc3ccc12)c1ccc(Cl)cc1	ZINC000040384328	210045418	/nfs/dbraw/zinc/04/54/18/210045418.db2.gz	AQNWJNUIDQFYGO-UHFFFAOYSA-N	-1	1	368.845	4.842	10	5		FJBEMM
Cc1ccc2cccc([N-]c3ncnc(Oc4ccccc4)c3[N+](=O)[O-])c2n1	ZINC000040626830	205073957	/nfs/dbraw/zinc/07/39/57/205073957.db2.gz	OSTCUOVCHZWCOD-UHFFFAOYSA-N	-1	1	373.372	4.777	10	5		FJBEMM
Cc1cc(C)cc(Oc2ncnc([N-]c3ccc(F)cc3F)c2[N+](=O)[O-])c1	ZINC000040582854	205073542	/nfs/dbraw/zinc/07/35/42/205073542.db2.gz	CPIYUPAOSDGRBX-UHFFFAOYSA-N	-1	1	372.331	4.816	10	5		FJBEMM
Cc1ccc(S(=O)(=O)[N-]c2ccnc3c4ccccc4ccc23)c(C)c1	ZINC000040384347	210045097	/nfs/dbraw/zinc/04/50/97/210045097.db2.gz	WGLWFTCPGYOCFH-UHFFFAOYSA-N	-1	1	362.454	4.806	10	5		FJBEMM
Cc1ccc(S(=O)(=O)[N-]c2ccnc3c4ccccc4ccc23)cc1C	ZINC000040384242	210044574	/nfs/dbraw/zinc/04/45/74/210044574.db2.gz	MLTOKSHAGUUXPR-UHFFFAOYSA-N	-1	1	362.454	4.806	10	5		FJBEMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccnc3c4ccccc4ccc23)c1	ZINC000040384321	210044334	/nfs/dbraw/zinc/04/43/34/210044334.db2.gz	USYKVEWHOIDUPO-UHFFFAOYSA-N	-1	1	362.454	4.806	10	5		FJBEMM
Cc1cc(C)cc(Oc2ncnc([N-]c3ccccc3F)c2[N+](=O)[O-])c1	ZINC000040582645	205072809	/nfs/dbraw/zinc/07/28/09/205072809.db2.gz	QDDZHIHTJLZIQX-UHFFFAOYSA-N	-1	1	354.341	4.677	10	5		FJBEMM
Cc1cccc(Nc2ncnc([N-]c3cc(F)ccc3F)c2[N+](=O)[O-])c1C	ZINC000040620811	205074491	/nfs/dbraw/zinc/07/44/91/205074491.db2.gz	HOYUCQJWKOXDOT-UHFFFAOYSA-N	-1	1	371.347	4.767	10	5		FJBEMM
Cc1ccc(Oc2ncnc([N-]c3ccccc3F)c2[N+](=O)[O-])cc1C	ZINC000040627846	205074588	/nfs/dbraw/zinc/07/45/88/205074588.db2.gz	OYXFXULTBYNTGR-UHFFFAOYSA-N	-1	1	354.341	4.677	10	5		FJBEMM
Cc1ccc([N-]c2ncnc(Nc3ccc(C(C)C)cc3)c2[N+](=O)[O-])nc1	ZINC000040594793	208259772	/nfs/dbraw/zinc/25/97/72/208259772.db2.gz	NZBJFUIUVPPVJJ-UHFFFAOYSA-N	-1	1	364.409	4.699	10	5		FJBEMM
O=C1[N-]C(=S)SC1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000033323342	208084834	/nfs/dbraw/zinc/08/48/34/208084834.db2.gz	GTWYSYXPOWAOTL-DHDCSXOGSA-N	-1	1	372.427	4.503	10	5		FJBEMM
O=[N+]([O-])c1c(Oc2ccc3ccccc3c2)[n-]cnc1=NNc1ccccc1	ZINC000040586586	208256304	/nfs/dbraw/zinc/25/63/04/208256304.db2.gz	RFHBMZSCMJELMA-UHFFFAOYSA-N	-1	1	373.372	4.769	10	5		FJBEMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)nc3c4ccccc4ccc23)cc1	ZINC000040384461	571095678	/nfs/dbraw/zinc/09/56/78/571095678.db2.gz	DZGJEUBSPIZACP-UHFFFAOYSA-N	-1	1	362.454	4.806	10	5		FJBEMM
CC(C)c1ccc(Oc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040610973	208259666	/nfs/dbraw/zinc/25/96/66/208259666.db2.gz	LACXTKPSFQORHX-UHFFFAOYSA-N	-1	1	365.393	4.740	10	5		FJBEMM