smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)cc1	ZINC000409170331	231174434	/nfs/dbraw/zinc/17/44/34/231174434.db2.gz	UWAFNUAOIAUYFM-UHFFFAOYSA-N	0	2	399.432	3.135	40	5		GGBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCCOc3ccccc3)cc2)[nH]1	ZINC000409310133	231189077	/nfs/dbraw/zinc/18/90/77/231189077.db2.gz	QVOUBUJYBKPSBH-FLIBITNWSA-N	0	2	395.371	3.424	40	5		GGBBLN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(O)cc3O)S2)cc1	ZINC000408783927	529689264	/nfs/dbraw/zinc/68/92/64/529689264.db2.gz	PGVAAWLHHFLUGC-CTJNPYBDSA-N	0	2	387.417	3.168	40	5		GGBBLN
CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128353	205007000	/nfs/dbraw/zinc/00/70/00/205007000.db2.gz	SCWWAYWLUYOKRM-OMXAPOSASA-N	0	2	389.408	3.050	40	5		GGBBLN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000048367299	205667480	/nfs/dbraw/zinc/66/74/80/205667480.db2.gz	OPDAKVQVRWTZOZ-UHFFFAOYSA-N	0	2	392.311	3.303	40	5		GGBBLN
Cc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])s2)cc1	ZINC000224029659	206011064	/nfs/dbraw/zinc/01/10/64/206011064.db2.gz	YGRTXOKYGWKJFH-UHFFFAOYSA-N	0	2	376.419	3.223	40	5		GGBBLN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1	ZINC000005579357	564217700	/nfs/dbraw/zinc/21/77/00/564217700.db2.gz	FRXWDMJUQLWABC-UHFFFAOYSA-N	0	2	375.431	3.249	40	5		GGBBLN
CCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000014031073	570876388	/nfs/dbraw/zinc/87/63/88/570876388.db2.gz	VHVQGBOAUPAVDC-UHFFFAOYSA-N	0	2	375.406	3.216	40	5		GGBBLN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Br)c1	ZINC000100447597	231007173	/nfs/dbraw/zinc/00/71/73/231007173.db2.gz	VKFILBSQSMVKFH-UHFFFAOYSA-N	0	2	396.222	3.190	40	5		GGBBLN
O=[N+]([O-])c1cccnc1Sc1nc(-c2cc(Br)ccc2O)n[nH]1	ZINC000408608968	231079167	/nfs/dbraw/zinc/07/91/67/231079167.db2.gz	XYOYHGUPZBNKQM-UHFFFAOYSA-N	0	2	394.210	3.394	40	5		GGBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2coc3c(Cl)cc(Cl)cc3c2=O)[nH]1	ZINC000409377901	231197673	/nfs/dbraw/zinc/19/76/73/231197673.db2.gz	KFSLDFBEZQMQFF-OWOJBTEDSA-N	0	2	396.142	3.380	40	5		GGBBLN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(O)cc3O)S2)cc1	ZINC000408783924	529689994	/nfs/dbraw/zinc/68/99/94/529689994.db2.gz	PGVAAWLHHFLUGC-BHCQIWIZSA-N	0	2	387.417	3.168	40	5		GGBBLN
CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000239203311	206279648	/nfs/dbraw/zinc/27/96/48/206279648.db2.gz	SCWWAYWLUYOKRM-GDKCJGSASA-N	0	2	389.408	3.050	40	5		GGBBLN
COC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2s1	ZINC000223251243	208896823	/nfs/dbraw/zinc/89/68/23/208896823.db2.gz	PCYWFUFYZXMMAG-UHFFFAOYSA-N	0	2	392.414	3.397	40	5		GGBBLN
Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1	ZINC000409237144	533910950	/nfs/dbraw/zinc/91/09/50/533910950.db2.gz	JOYCVYMKKAYVTF-VGOFMYFVSA-N	0	2	387.779	3.355	40	5		GGBBLN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCC	ZINC000409309136	528199967	/nfs/dbraw/zinc/19/99/67/528199967.db2.gz	BZQUWENYLZXGML-WAYWQWQTSA-N	0	2	381.772	3.417	40	5		GGBBLN
CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl	ZINC000408624826	528395859	/nfs/dbraw/zinc/39/58/59/528395859.db2.gz	CIFOJSIHKCVWTM-UHFFFAOYSA-N	0	2	395.824	3.479	40	5		GGBBLN
COc1ccc(Br)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000007053269	564231632	/nfs/dbraw/zinc/23/16/32/564231632.db2.gz	ZOYIHVZIXNJNOO-UHFFFAOYSA-N	0	2	387.211	3.167	40	5		GGBBLN
CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000216375808	565895762	/nfs/dbraw/zinc/89/57/62/565895762.db2.gz	VOHQNFCFCAOVRF-UHFFFAOYSA-N	0	2	384.797	3.226	40	5		GGBBLN
Cc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1[N+](=O)[O-]	ZINC000223264762	565907706	/nfs/dbraw/zinc/90/77/06/565907706.db2.gz	FINQPRXAKKDXHE-UHFFFAOYSA-N	0	2	388.496	3.304	40	5		GGBBLN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1	ZINC000100446491	231007157	/nfs/dbraw/zinc/00/71/57/231007157.db2.gz	TVACDTLEHKXZTK-UHFFFAOYSA-N	0	2	396.222	3.190	40	5		GGBBLN
O=C(CN1C(=O)SC(=Cc2ccc(O)c([N+](=O)[O-])c2)C1=O)c1ccccc1	ZINC000409222187	231183200	/nfs/dbraw/zinc/18/32/00/231183200.db2.gz	AUCYIKUSKWRTPN-CXUHLZMHSA-N	0	2	384.369	3.220	40	5		GGBBLN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1	ZINC000006270374	212068795	/nfs/dbraw/zinc/06/87/95/212068795.db2.gz	DBKQTADCJKNFSF-UHFFFAOYSA-N	0	2	392.824	3.294	40	5		GGBBLN
CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000225147399	528539092	/nfs/dbraw/zinc/53/90/92/528539092.db2.gz	HFDNXMLSTIOHCK-UHFFFAOYSA-N	0	2	393.446	3.353	40	5		GGBBLN
CCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000408627721	570388179	/nfs/dbraw/zinc/38/81/79/570388179.db2.gz	NFUHGSWBPPUAJS-UHFFFAOYSA-N	0	2	375.406	3.216	40	5		GGBBLN
CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000408627759	570388239	/nfs/dbraw/zinc/38/82/39/570388239.db2.gz	NLEFVRWYIJBLLN-UHFFFAOYSA-N	0	2	375.406	3.214	40	5		GGBBLN
O=C(NN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408762523	570393358	/nfs/dbraw/zinc/39/33/58/570393358.db2.gz	OQLQPMJIBFWUID-ZROIWOOFSA-N	0	2	387.348	3.115	40	5		GGBBLN
CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128355	570545934	/nfs/dbraw/zinc/54/59/34/570545934.db2.gz	SCWWAYWLUYOKRM-MNRXQERYSA-N	0	2	389.408	3.050	40	5		GGBBLN
Cc1ccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000409323483	231189834	/nfs/dbraw/zinc/18/98/34/231189834.db2.gz	PDMRPQSWNIKEAA-XQRVVYSFSA-N	0	2	384.304	3.443	40	5		GGBBLN
Cc1ccc(-c2nn(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(=S)o2)cc1	ZINC000409155907	534222908	/nfs/dbraw/zinc/22/29/08/534222908.db2.gz	DZQGNKLGXOTJGB-UHFFFAOYSA-N	0	2	386.389	3.434	40	5		GGBBLN
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000001738101	564186858	/nfs/dbraw/zinc/18/68/58/564186858.db2.gz	DVKIJDBYSNYSLZ-UHFFFAOYSA-N	0	2	384.797	3.226	40	5		GGBBLN
COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	ZINC000045712567	564487804	/nfs/dbraw/zinc/48/78/04/564487804.db2.gz	RGDPRCYJFSJURG-UHFFFAOYSA-N	0	2	384.797	3.144	40	5		GGBBLN
COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1	ZINC000223841325	565910078	/nfs/dbraw/zinc/91/00/78/565910078.db2.gz	GFAAIOCFDDXQGV-UHFFFAOYSA-N	0	2	384.797	3.144	40	5		GGBBLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc2c(cc1OC)CCCC2	ZINC000223433220	570247182	/nfs/dbraw/zinc/24/71/82/570247182.db2.gz	BKRWJKUKTNUONA-UHFFFAOYSA-N	0	2	392.433	3.292	40	5		GGBBLN
CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128349	570544597	/nfs/dbraw/zinc/54/45/97/570544597.db2.gz	SCWWAYWLUYOKRM-ANTHHZPCSA-N	0	2	389.408	3.050	40	5		GGBBLN
Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)c1	ZINC000409232583	231184660	/nfs/dbraw/zinc/18/46/60/231184660.db2.gz	RLBCGWAHMHEHOD-VGOFMYFVSA-N	0	2	387.779	3.355	40	5		GGBBLN
CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128351	205007413	/nfs/dbraw/zinc/00/74/13/205007413.db2.gz	SCWWAYWLUYOKRM-SIMVJXQJSA-N	0	2	389.408	3.050	40	5		GGBBLN
Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	ZINC000223455036	206000734	/nfs/dbraw/zinc/00/07/34/206000734.db2.gz	DSHKLRDJYDTWRE-UHFFFAOYSA-N	0	2	376.419	3.223	40	5		GGBBLN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1	ZINC000225362074	206044142	/nfs/dbraw/zinc/04/41/42/206044142.db2.gz	IUXLYQNHVSBKQP-UHFFFAOYSA-N	0	2	376.419	3.223	40	5		GGBBLN
O=[N+]([O-])c1ccc(Sc2nc(-c3cc(Br)ccc3O)n[nH]2)nc1	ZINC000408608940	534882780	/nfs/dbraw/zinc/88/27/80/534882780.db2.gz	XTTVLZOHCBPEQC-UHFFFAOYSA-N	0	2	394.210	3.394	40	5		GGBBLN
COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl	ZINC000408627211	565615160	/nfs/dbraw/zinc/61/51/60/565615160.db2.gz	LHDBTQYDHHTYBW-UHFFFAOYSA-N	0	2	381.797	3.089	40	5		GGBBLN
CCCCOC(=O)c1ccc(-n2c3ccccc3cc3c(=O)[nH]c(=O)nc2-3)cc1	ZINC000005385562	570570981	/nfs/dbraw/zinc/57/09/81/570570981.db2.gz	ZEBNJDXKGOXGNP-UHFFFAOYSA-N	0	2	389.411	3.136	40	5		GGBBLN
CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000239203312	570823409	/nfs/dbraw/zinc/82/34/09/570823409.db2.gz	SCWWAYWLUYOKRM-JUKMUDQWSA-N	0	2	389.408	3.050	40	5		GGBBLN
CC(C)COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000014030386	570876539	/nfs/dbraw/zinc/87/65/39/570876539.db2.gz	FWELERWXJCUERW-UHFFFAOYSA-N	0	2	389.433	3.462	40	5		GGBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)[nH]1	ZINC000409310662	231189062	/nfs/dbraw/zinc/18/90/62/231189062.db2.gz	CDHAIBSUXGXBLA-XVNBXDOJSA-N	0	2	397.303	3.062	40	5		GGBBLN
COc1ccccc1-n1c2nc3ccc(C)cc3cc2cc2c(=O)[nH]c(=O)nc1-2	ZINC000041074097	209094154	/nfs/dbraw/zinc/09/41/54/209094154.db2.gz	VYQHZHNKFASDPK-UHFFFAOYSA-N	0	2	384.395	3.044	40	5		GGBBLN
Cc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[nH]c(=O)nc2-3)cc1Cl	ZINC000041076614	209092599	/nfs/dbraw/zinc/09/25/99/209092599.db2.gz	YCGLMXSBGBNSME-UHFFFAOYSA-N	0	2	382.763	3.049	40	5		GGBBLN
COC(=O)c1ccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000409316679	533944682	/nfs/dbraw/zinc/94/46/82/533944682.db2.gz	ZIOAHDNSNOSPBU-VURMDHGXSA-N	0	2	383.316	3.013	40	5		GGBBLN
O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1CCOc1ccccc1	ZINC000106757083	534824806	/nfs/dbraw/zinc/82/48/06/534824806.db2.gz	ZBSLFCYBTYPASV-WJDWOHSUSA-N	0	2	386.385	3.416	40	5		GGBBLN
COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)cc1Cl	ZINC000004299681	564202049	/nfs/dbraw/zinc/20/20/49/564202049.db2.gz	DGTWLLQLUFFYHU-UHFFFAOYSA-N	0	2	386.813	3.375	40	5		GGBBLN
Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000009062511	564251512	/nfs/dbraw/zinc/25/15/12/564251512.db2.gz	GPUBOMUYEYCSCY-UHFFFAOYSA-N	0	2	376.419	3.223	40	5		GGBBLN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1Br	ZINC000034931797	564415095	/nfs/dbraw/zinc/41/50/95/564415095.db2.gz	ALNXHEQSAOJZDW-UHFFFAOYSA-N	0	2	396.222	3.190	40	5		GGBBLN
O=C(NN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408758225	565614519	/nfs/dbraw/zinc/61/45/19/565614519.db2.gz	HRDIRKJUOIYHRP-WQLSENKSSA-N	0	2	375.387	3.038	40	5		GGBBLN
Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000223233174	565907793	/nfs/dbraw/zinc/90/77/93/565907793.db2.gz	SEDNDGUHNGAUIE-UHFFFAOYSA-N	0	2	376.419	3.223	40	5		GGBBLN
Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-]	ZINC000224579501	565910988	/nfs/dbraw/zinc/91/09/88/565910988.db2.gz	MPQLDPDIGKEPEK-UHFFFAOYSA-N	0	2	376.419	3.223	40	5		GGBBLN
Cc1ccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000033928057	570647140	/nfs/dbraw/zinc/64/71/40/570647140.db2.gz	XHSLPTLIIMAUFM-UTCJRWHESA-N	0	2	384.304	3.031	40	5		GGBBLN
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000014795870	570900032	/nfs/dbraw/zinc/90/00/32/570900032.db2.gz	NJXOHYRCGOHZQR-UHFFFAOYSA-N	0	2	375.406	3.214	40	5		GGBBLN
CC(C)COc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000014795764	570900034	/nfs/dbraw/zinc/90/00/34/570900034.db2.gz	JSINZSMYSKSHFK-UHFFFAOYSA-N	0	2	389.433	3.462	40	5		GGBBLN
O=C1N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1Cc1ccccc1F	ZINC000409094802	231159474	/nfs/dbraw/zinc/15/94/74/231159474.db2.gz	GITFBGHISLPEPF-AWNIVKPZSA-N	0	2	391.742	3.186	40	5		GGBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCCOc2ccccc2)[nH]1	ZINC000409317767	231189700	/nfs/dbraw/zinc/18/97/00/231189700.db2.gz	SEXROJCRWLYZLO-KHPPLWFESA-N	0	2	395.371	3.424	40	5		GGBBLN
CCOC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000020051078	210313801	/nfs/dbraw/zinc/31/38/01/210313801.db2.gz	SWBAGISHVWOHMN-UHFFFAOYSA-N	0	2	384.797	3.226	40	5		GGBBLN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(SCC(C)C)s1	ZINC000225459587	565914926	/nfs/dbraw/zinc/91/49/26/565914926.db2.gz	OTFZEUXIHWGFLH-UHFFFAOYSA-N	0	2	388.496	3.304	40	5		GGBBLN
CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000026540541	570341375	/nfs/dbraw/zinc/34/13/75/570341375.db2.gz	JBUBVJUTUWLJHS-UHFFFAOYSA-N	0	2	393.421	3.004	40	5		GGBBLN
O=C(NN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408756027	570392733	/nfs/dbraw/zinc/39/27/33/570392733.db2.gz	XFCLDNQSSWYWSP-ZROIWOOFSA-N	0	2	387.348	3.115	40	5		GGBBLN
O=C(c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)N1CCCCC1	ZINC000014225872	570831937	/nfs/dbraw/zinc/83/19/37/570831937.db2.gz	IWDCFVNEQFCCAP-UHFFFAOYSA-N	0	2	389.433	3.022	40	5		GGBBLN
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1C	ZINC000409171074	231174860	/nfs/dbraw/zinc/17/48/60/231174860.db2.gz	XYAJDARCLUCKAG-UHFFFAOYSA-N	0	2	399.432	3.135	40	5		GGBBLN
COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000408628401	533837539	/nfs/dbraw/zinc/83/75/39/533837539.db2.gz	SMFZMQFWNLENMW-UHFFFAOYSA-N	0	2	381.797	3.089	40	5		GGBBLN
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)c1	ZINC000409127486	534558666	/nfs/dbraw/zinc/55/86/66/534558666.db2.gz	CZFOGEOWNOOMSO-UHFFFAOYSA-N	0	2	399.432	3.135	40	5		GGBBLN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1	ZINC000033409599	570312448	/nfs/dbraw/zinc/31/24/48/570312448.db2.gz	CYTZBOGGTNQYHK-CLFYSBASSA-N	0	2	395.371	3.142	40	5		GGBBLN
O=c1nc2n(-c3cccc4ccccc43)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1	ZINC000059497781	570659195	/nfs/dbraw/zinc/65/91/95/570659195.db2.gz	RKZPWUUCIAOEMO-UHFFFAOYSA-N	0	2	384.351	3.240	40	5		GGBBLN