smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1cc(Cl)c(O)c(Cl)c1	ZINC000014946011	207032159	/nfs/dbraw/zinc/03/21/59/207032159.db2.gz	QOJSERWVVHZZPL-UHFFFAOYSA-N	0	1	394.170	3.087	1	5		GGBFMN
C=C1N=C(C)C(C(=O)OC)[C@H](c2ccc(NC)c([N+](=O)[O-])c2)C1C(=O)OC	ZINC000026388121	207313667	/nfs/dbraw/zinc/31/36/67/207313667.db2.gz	KLMFZLKTSOAORE-WECAROLCSA-N	0	1	375.381	3.058	1	5		GGBFMN
CN(C)CCNC(=O)c1cc2c(c3oc4ccccc4c(=O)c13)C=CC(C)(C)O2	ZINC000029224145	207358515	/nfs/dbraw/zinc/35/85/15/207358515.db2.gz	UYMKRMQHKRQIFR-UHFFFAOYSA-N	0	1	392.455	3.422	1	5		GGBFMN
COc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O	ZINC000098083396	208367063	/nfs/dbraw/zinc/36/70/63/208367063.db2.gz	GHIOPBFGGRYJLA-CYBMUJFWSA-N	0	1	375.333	3.033	1	5		GGBFMN
C=C1N=C(C)C(C(=O)OC)[C@@H](c2ccc(NC)c([N+](=O)[O-])c2)C1C(=O)OC	ZINC000100028541	208369124	/nfs/dbraw/zinc/36/91/24/208369124.db2.gz	KLMFZLKTSOAORE-WUVIJCSQSA-N	0	1	375.381	3.058	1	5		GGBFMN
O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1cc(Cl)c(O)c(Cl)c1	ZINC000014946008	210131540	/nfs/dbraw/zinc/13/15/40/210131540.db2.gz	IYVZGXAXYHRGQR-UHFFFAOYSA-N	0	1	394.170	3.087	1	5		GGBFMN
CN1CCN(c2cnc3cccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3c2)CC1	ZINC000071316197	211043403	/nfs/dbraw/zinc/04/34/03/211043403.db2.gz	BQEQIUYCIDTDEP-UHFFFAOYSA-N	0	1	392.415	3.114	1	5		GGBFMN
COC(=O)C1C(CCc2ccccc2)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013125901	221261505	/nfs/dbraw/zinc/26/15/05/221261505.db2.gz	LXDUONSWGJJAQO-SFHVURJKSA-N	0	1	381.388	3.009	3	5		GGBFMN
COC(=O)C1C(CCc2ccccc2)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013125899	221261631	/nfs/dbraw/zinc/26/16/31/221261631.db2.gz	LXDUONSWGJJAQO-GOSISDBHSA-N	0	1	381.388	3.009	3	5		GGBFMN
O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Nc1cc(Cl)c(O)c(Cl)c1	ZINC000014946014	221319534	/nfs/dbraw/zinc/31/95/34/221319534.db2.gz	YTOGUEKUZBZZGH-UHFFFAOYSA-N	0	1	394.170	3.087	1	5		GGBFMN
C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000095561999	222354634	/nfs/dbraw/zinc/35/46/34/222354634.db2.gz	SFKBOTCVPFRCEE-KRWDZBQOSA-N	0	1	398.463	3.294	1	5		GGBFMN
O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccccc2)CC1	ZINC000072104661	205303387	/nfs/dbraw/zinc/30/33/87/205303387.db2.gz	BQPUFBLBKLVVHQ-UHFFFAOYSA-N	0	1	399.498	3.157	1	5		GGBFMN
C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000095562000	222355488	/nfs/dbraw/zinc/35/54/88/222355488.db2.gz	SFKBOTCVPFRCEE-QGZVFWFLSA-N	0	1	398.463	3.294	1	5		GGBFMN