smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Nc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC000833288348	604596734	/nfs/dbraw/zinc/59/67/34/604596734.db2.gz	KVCJXDQCBWIBIV-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
O=C([O-])c1csc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000361289096	304281975	/nfs/dbraw/zinc/28/19/75/304281975.db2.gz	NZCVAUTWTSVTDN-OWOJBTEDSA-N	-2	0	320.282	2.618	20	5		DFBDRL
Cc1sc(/C=C\c2ccc([O-])c([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000436781283	297034025	/nfs/dbraw/zinc/03/40/25/297034025.db2.gz	BLRVGWIUENMOPD-HYXAFXHYSA-N	-2	0	306.299	2.934	20	5		DFBDRL
O=C([O-])Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000834275803	605736193	/nfs/dbraw/zinc/73/61/93/605736193.db2.gz	OWSAMORZPMDTRQ-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1[O-]	ZINC000221009854	268140729	/nfs/dbraw/zinc/14/07/29/268140729.db2.gz	VHZCGGULJBGCQZ-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
COc1cc(/C=C/c2cc(C(=O)[O-])ccn2)cc([N+](=O)[O-])c1[O-]	ZINC000436819926	297037070	/nfs/dbraw/zinc/03/70/70/297037070.db2.gz	ZVOYKWLZZIJGQO-NSCUHMNNSA-N	-2	0	316.269	2.573	20	5		DFBDRL
O=C([O-])Nc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1	ZINC000833290853	605778998	/nfs/dbraw/zinc/77/89/98/605778998.db2.gz	WUBVZCXHNPEOPD-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
Cc1sc(/C=C/c2ccc([N+](=O)[O-])c([O-])c2)nc1C(=O)[O-]	ZINC000339113514	427680669	/nfs/dbraw/zinc/68/06/69/427680669.db2.gz	DESXKYNXDDMRDE-HWKANZROSA-N	-2	0	306.299	2.934	20	5		DFBDRL
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000832916796	604587427	/nfs/dbraw/zinc/58/74/27/604587427.db2.gz	ZBFNAEYRMKRRQL-UHFFFAOYSA-N	-2	0	316.269	2.559	20	5		DFBDRL
Cc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000156370941	295334908	/nfs/dbraw/zinc/33/49/08/295334908.db2.gz	PTLOJVVWMJDOPT-UHFFFAOYSA-N	-2	0	322.342	2.718	20	5		DFBDRL
O=C([O-])Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000740712595	602576839	/nfs/dbraw/zinc/57/68/39/602576839.db2.gz	YLPYEWBHBCKSLE-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
CCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1O	ZINC000536194911	301269675	/nfs/dbraw/zinc/26/96/75/301269675.db2.gz	ZBAMACFAAAVWKA-UHFFFAOYSA-N	-2	0	302.286	2.821	20	5		DFBDRL
O=C([O-])CC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])CCCC1	ZINC000322951047	534487232	/nfs/dbraw/zinc/48/72/32/534487232.db2.gz	KQDVCLCZYCHYNN-UHFFFAOYSA-N	-2	0	322.317	2.664	20	5		DFBDRL
Cc1sc(/C=C/c2ccc([O-])c([N+](=O)[O-])c2)nc1C(=O)[O-]	ZINC000436781281	297033987	/nfs/dbraw/zinc/03/39/87/297033987.db2.gz	BLRVGWIUENMOPD-HWKANZROSA-N	-2	0	306.299	2.934	20	5		DFBDRL
CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1	ZINC000833694256	604644953	/nfs/dbraw/zinc/64/49/53/604644953.db2.gz	MZVSEIIBSLJKMF-HNNXBMFYSA-N	-2	0	316.313	2.558	20	5		DFBDRL
O=C(Nc1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])cc1[O-]	ZINC000185628008	427681956	/nfs/dbraw/zinc/68/19/56/427681956.db2.gz	ZVSMJRXJINDXNI-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C(=O)[O-]	ZINC000518250389	429415682	/nfs/dbraw/zinc/41/56/82/429415682.db2.gz	CNYOEUNDVGXTRK-UHFFFAOYSA-N	-2	0	316.269	2.559	20	5		DFBDRL
COc1cc(/C=C\c2ncc(C(=O)[O-])s2)cc([N+](=O)[O-])c1[O-]	ZINC000436981433	297049640	/nfs/dbraw/zinc/04/96/40/297049640.db2.gz	UJAYAQOZIHIUJC-IHWYPQMZSA-N	-2	0	322.298	2.634	20	5		DFBDRL
CCc1ccc(O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000536192459	301270008	/nfs/dbraw/zinc/27/00/08/301270008.db2.gz	NFPQTDABOORMMK-UHFFFAOYSA-N	-2	0	302.286	2.821	20	5		DFBDRL
O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCC1	ZINC000323001054	304043509	/nfs/dbraw/zinc/04/35/09/304043509.db2.gz	CZKDVWWYIIVJQZ-UHFFFAOYSA-N	-2	0	322.317	2.664	20	5		DFBDRL
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1C(=O)[O-]	ZINC000577795414	318216855	/nfs/dbraw/zinc/21/68/55/318216855.db2.gz	FDGOYGTUDLURRF-UHFFFAOYSA-N	-2	0	316.269	2.559	20	5		DFBDRL
O=C(Nc1ccc(Cl)cc1[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000354495647	147059846	/nfs/dbraw/zinc/05/98/46/147059846.db2.gz	HBEIXQQEGJUWEO-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(F)c([O-])c(F)c1	ZINC000175322816	426297012	/nfs/dbraw/zinc/29/70/12/426297012.db2.gz	LAEHFCPOWQYKOF-OWOJBTEDSA-N	-2	0	322.223	2.842	20	5		DFBDRL
O=C([O-])c1cccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000361291488	304255436	/nfs/dbraw/zinc/25/54/36/304255436.db2.gz	XWTBTKUBMGDOER-SNAWJCMRSA-N	-2	0	314.253	2.557	20	5		DFBDRL
Cc1sc(/C=C/c2cc([O-])ccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000352036139	286276087	/nfs/dbraw/zinc/27/60/87/286276087.db2.gz	WMQOOMVPGFQUPB-GORDUTHDSA-N	-2	0	306.299	2.934	20	5		DFBDRL
O=C(Nc1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])c([O-])c1	ZINC000077012627	398879757	/nfs/dbraw/zinc/87/97/57/398879757.db2.gz	SZWVOYNMJVJXPD-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
O=C(Nc1cccc(Cl)c1[O-])c1cccc([O-])c1[N+](=O)[O-]	ZINC000343807927	272223249	/nfs/dbraw/zinc/22/32/49/272223249.db2.gz	NMMMQGBGFRMAEJ-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
COc1cc(/C=C\c2cc(C(=O)[O-])ccn2)cc([N+](=O)[O-])c1[O-]	ZINC000436819925	297037021	/nfs/dbraw/zinc/03/70/21/297037021.db2.gz	ZVOYKWLZZIJGQO-IHWYPQMZSA-N	-2	0	316.269	2.573	20	5		DFBDRL
O=C(Nc1cccc(Cl)c1[O-])c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356582298	428240554	/nfs/dbraw/zinc/24/05/54/428240554.db2.gz	TYFZHTXEANUVBA-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
Cc1sc(/C=C\c2cc([O-])ccc2[N+](=O)[O-])nc1C(=O)[O-]	ZINC000352036138	286275997	/nfs/dbraw/zinc/27/59/97/286275997.db2.gz	WMQOOMVPGFQUPB-DJWKRKHSSA-N	-2	0	306.299	2.934	20	5		DFBDRL
O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc([N+](=O)[O-])o1	ZINC000353887433	428762984	/nfs/dbraw/zinc/76/29/84/428762984.db2.gz	IZHKFPUXVWTQBU-UHFFFAOYSA-N	-2	0	300.629	2.938	20	5		DFBDRL
CCc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1	ZINC000436863890	297041038	/nfs/dbraw/zinc/04/10/38/297041038.db2.gz	KNOGLDZFXMXUPD-UHFFFAOYSA-N	-2	0	302.286	2.821	20	5		DFBDRL
O=C([O-])Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000834254677	605570985	/nfs/dbraw/zinc/57/09/85/605570985.db2.gz	BPEXOGMUAYIALC-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
O=C([O-])c1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000349584984	429009556	/nfs/dbraw/zinc/00/95/56/429009556.db2.gz	KEDIRZCBWCZGJW-UTCJRWHESA-N	-2	0	314.253	2.557	20	5		DFBDRL
O=C([O-])Nc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000834270061	605713580	/nfs/dbraw/zinc/71/35/80/605713580.db2.gz	FWWOZLUEIXWYFN-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
O=C([O-])Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000834261627	605735978	/nfs/dbraw/zinc/73/59/78/605735978.db2.gz	HTPFMTXTSWUBHT-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
O=C([O-])CCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000594466157	398807050	/nfs/dbraw/zinc/80/70/50/398807050.db2.gz	JEGKQIYONWIQQS-UHFFFAOYSA-N	-2	0	316.697	2.537	20	5		DFBDRL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c(F)ccc([O-])c1F	ZINC000343805011	272222948	/nfs/dbraw/zinc/22/29/48/272222948.db2.gz	IOZNBRUGCWKNDE-UHFFFAOYSA-N	-2	0	310.212	2.537	20	5		DFBDRL
O=C(Nc1cc(Cl)ccc1O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000357136482	428403638	/nfs/dbraw/zinc/40/36/38/428403638.db2.gz	YWCOVMYSICKRRJ-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
CC(C)c1[nH]nc(C(=O)Nc2c([O-])cccc2F)c1[N+](=O)[O-]	ZINC000610925134	399418152	/nfs/dbraw/zinc/41/81/52/399418152.db2.gz	RVIKDGBNRUTAKB-UHFFFAOYSA-N	-2	0	308.269	2.538	20	5		DFBDRL
O=C([O-])c1cccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000361291487	304255586	/nfs/dbraw/zinc/25/55/86/304255586.db2.gz	XWTBTKUBMGDOER-PLNGDYQASA-N	-2	0	314.253	2.557	20	5		DFBDRL
Cc1sc(C(=O)Nc2n[nH]c(-c3ccco3)n2)cc1[N+](=O)[O-]	ZINC000121113983	195294936	/nfs/dbraw/zinc/29/49/36/195294936.db2.gz	NODZJVWQPYUWMZ-UHFFFAOYSA-N	-2	0	319.302	2.595	20	5		DFBDRL
O=C([O-])c1csc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000361289101	149076186	/nfs/dbraw/zinc/07/61/86/149076186.db2.gz	NZCVAUTWTSVTDN-UPHRSURJSA-N	-2	0	320.282	2.618	20	5		DFBDRL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)c([O-])c(F)c1	ZINC000186959639	426614044	/nfs/dbraw/zinc/61/40/44/426614044.db2.gz	PCOOHZGMUZVKRL-UHFFFAOYSA-N	-2	0	310.212	2.537	20	5		DFBDRL
O=C([O-])Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000833289978	604943947	/nfs/dbraw/zinc/94/39/47/604943947.db2.gz	RDVWXRKMIZMWJL-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000593287665	398589808	/nfs/dbraw/zinc/58/98/08/398589808.db2.gz	APWOAWNYBOMBDF-GFCCVEGCSA-N	-2	0	308.334	2.520	20	5		DFBDRL
O=C(Nc1cccc(Cl)c1[O-])c1cc([N+](=O)[O-])ccc1[O-]	ZINC000182162593	427020146	/nfs/dbraw/zinc/02/01/46/427020146.db2.gz	ZRAVMSVHVKDAQL-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
COc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc([N+](=O)[O-])c1[O-]	ZINC000436981434	297049696	/nfs/dbraw/zinc/04/96/96/297049696.db2.gz	UJAYAQOZIHIUJC-NSCUHMNNSA-N	-2	0	322.298	2.634	20	5		DFBDRL
O=C(Nc1cccc(Cl)c1[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000354766041	147143030	/nfs/dbraw/zinc/14/30/30/147143030.db2.gz	UVKXLJUYRHNHAK-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
O=C(Nc1cccc(Cl)c1[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183524873	427287862	/nfs/dbraw/zinc/28/78/62/427287862.db2.gz	BVCDPYYUUWHTRY-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000593287666	398590076	/nfs/dbraw/zinc/59/00/76/398590076.db2.gz	APWOAWNYBOMBDF-LBPRGKRZSA-N	-2	0	308.334	2.520	20	5		DFBDRL
O=C([O-])c1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000349584985	285893067	/nfs/dbraw/zinc/89/30/67/285893067.db2.gz	KEDIRZCBWCZGJW-ZZXKWVIFSA-N	-2	0	314.253	2.557	20	5		DFBDRL
Cc1sc(/C=C\c2ccc([N+](=O)[O-])c([O-])c2)nc1C(=O)[O-]	ZINC000339113515	268755780	/nfs/dbraw/zinc/75/57/80/268755780.db2.gz	DESXKYNXDDMRDE-HYXAFXHYSA-N	-2	0	306.299	2.934	20	5		DFBDRL
O=C(Nc1cccc(Cl)c1[O-])c1cccc([N+](=O)[O-])c1[O-]	ZINC000178357959	426613386	/nfs/dbraw/zinc/61/33/86/426613386.db2.gz	QAJDROSOTSLNHC-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
O=C([O-])Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000834265473	605713834	/nfs/dbraw/zinc/71/38/34/605713834.db2.gz	WJLKVXXRPIJKDF-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(F)c([O-])c(F)c1	ZINC000255169248	283859237	/nfs/dbraw/zinc/85/92/37/283859237.db2.gz	LAEHFCPOWQYKOF-UPHRSURJSA-N	-2	0	322.223	2.842	20	5		DFBDRL
O=C([O-])Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000833290437	601593181	/nfs/dbraw/zinc/59/31/81/601593181.db2.gz	SODVETLBUQCERE-UHFFFAOYSA-N	-2	0	317.257	2.643	20	5		DFBDRL
O=C([O-])C1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCCC1	ZINC000595986532	399145046	/nfs/dbraw/zinc/14/50/46/399145046.db2.gz	PXBZPWQZIZAAJF-UHFFFAOYSA-N	-2	0	322.317	2.664	20	5		DFBDRL
O=C(Nc1cc(Cl)ccc1O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000343800885	272221421	/nfs/dbraw/zinc/22/14/21/272221421.db2.gz	HJBXPATZTLSPAS-UHFFFAOYSA-N	-2	0	308.677	2.912	20	5		DFBDRL
CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1	ZINC000833694257	604644695	/nfs/dbraw/zinc/64/46/95/604644695.db2.gz	MZVSEIIBSLJKMF-OAHLLOKOSA-N	-2	0	316.313	2.558	20	5		DFBDRL