smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1C	ZINC000223800228	206005670	/nfs/dbraw/zinc/00/56/70/206005670.db2.gz	NLKNWYDFILFJAC-UHFFFAOYSA-N	0	2	380.378	2.499	40	5		GEBBLN
COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1[N+](=O)[O-]	ZINC000408627640	570387880	/nfs/dbraw/zinc/38/78/80/570387880.db2.gz	MWUWMPCKEVPDGH-UHFFFAOYSA-N	0	2	392.349	2.344	40	5		GEBBLN
CCOc1cc(Br)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1O	ZINC000006892264	531535107	/nfs/dbraw/zinc/53/51/07/531535107.db2.gz	YOXYVBKFFGVLDM-ONEGZZNKSA-N	0	2	398.169	2.009	40	5		GEBBLN
COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC	ZINC000408569381	533147072	/nfs/dbraw/zinc/14/70/72/533147072.db2.gz	WHNJHKXDMSKSMI-GMVOTWDCSA-N	0	2	383.404	2.226	40	5		GEBBLN
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1[NH2+][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000005457586	570328779	/nfs/dbraw/zinc/32/87/79/570328779.db2.gz	NYDFVUOGOFWVFR-MOPGFXCFSA-N	0	2	396.403	2.163	40	5		GEBBLN
CCOc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[nH]c(=O)nc2-3)cc1	ZINC000005126004	570731378	/nfs/dbraw/zinc/73/13/78/570731378.db2.gz	HKZQQWOVMZLSGW-UHFFFAOYSA-N	0	2	378.344	2.486	40	5		GEBBLN
Nn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccccc1	ZINC000409153358	231172329	/nfs/dbraw/zinc/17/23/29/231172329.db2.gz	LGWZBYWTDFWWPJ-UHFFFAOYSA-N	0	2	386.393	2.004	40	5		GEBBLN
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH2+][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000005457713	570328637	/nfs/dbraw/zinc/32/86/37/570328637.db2.gz	NYDFVUOGOFWVFR-RTBURBONSA-N	0	2	396.403	2.163	40	5		GEBBLN
CC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000255188675	206150702	/nfs/dbraw/zinc/15/07/02/206150702.db2.gz	KTGJVTQBAFURFU-UHFFFAOYSA-N	0	2	386.408	2.085	40	5		GEBBLN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1O	ZINC000035062397	570223307	/nfs/dbraw/zinc/22/33/07/570223307.db2.gz	JEWFYMJJYIFAGK-ARJAWSKDSA-N	0	2	398.169	2.421	40	5		GEBBLN
COC(=O)c1ccc(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000216236114	205931011	/nfs/dbraw/zinc/93/10/11/205931011.db2.gz	HNNYKMITBHCPNI-UHFFFAOYSA-N	0	2	380.378	2.332	40	5		GEBBLN
O=C([O-])CCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000575420000	570307241	/nfs/dbraw/zinc/30/72/41/570307241.db2.gz	CZHTWTACBSEIIF-MRXNPFEDSA-N	0	2	384.454	2.229	40	5		GEBBLN
O=C([O-])CCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000575420000	570307244	/nfs/dbraw/zinc/30/72/44/570307244.db2.gz	CZHTWTACBSEIIF-MRXNPFEDSA-N	0	2	384.454	2.229	40	5		GEBBLN
O=C([O-])CCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000575419999	570307291	/nfs/dbraw/zinc/30/72/91/570307291.db2.gz	CZHTWTACBSEIIF-INIZCTEOSA-N	0	2	384.454	2.229	40	5		GEBBLN
O=C([O-])CCCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000575419999	570307296	/nfs/dbraw/zinc/30/72/96/570307296.db2.gz	CZHTWTACBSEIIF-INIZCTEOSA-N	0	2	384.454	2.229	40	5		GEBBLN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCCO2	ZINC000408628907	231089247	/nfs/dbraw/zinc/08/92/47/231089247.db2.gz	XVZYCQVNKYBOSO-UHFFFAOYSA-N	0	2	375.362	2.198	40	5		GEBBLN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(Br)cc1O	ZINC000006354847	531526816	/nfs/dbraw/zinc/52/68/16/531526816.db2.gz	OFNIJUDEXUIFBN-ONEGZZNKSA-N	0	2	398.169	2.009	40	5		GEBBLN
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])ccc3O)C2=O)cc1	ZINC000409023904	231148667	/nfs/dbraw/zinc/14/86/67/231148667.db2.gz	MQGINGSXKVXOLQ-OQLLNIDSSA-N	0	2	396.359	2.140	40	5		GEBBLN
CN(C)c1cc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000408530564	529774436	/nfs/dbraw/zinc/77/44/36/529774436.db2.gz	MFHDFTQOYGKJQV-UHFFFAOYSA-N	0	2	377.382	2.044	40	5		GEBBLN
COCc1nnc(-n2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)[nH]1	ZINC000040398991	205063499	/nfs/dbraw/zinc/06/34/99/205063499.db2.gz	OAPILCUCTMZUPB-UHFFFAOYSA-N	0	2	392.419	2.080	40	5		GEBBLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000225675149	206066382	/nfs/dbraw/zinc/06/63/82/206066382.db2.gz	IJFAVDMNUFUSEU-UHFFFAOYSA-N	0	2	395.418	2.318	40	5		GEBBLN
CCCCCn1ccc2nc3ccn(-c4nnc(COC)[nH]4)c(=O)c3cc2c1=O	ZINC000040398980	207597324	/nfs/dbraw/zinc/59/73/24/207597324.db2.gz	GWLQMPVBPNBMMM-UHFFFAOYSA-N	0	2	394.435	2.155	40	5		GEBBLN
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408962107	231136087	/nfs/dbraw/zinc/13/60/87/231136087.db2.gz	GQZKKIPIFGEDRJ-ZSOIEALJSA-N	0	2	396.359	2.140	40	5		GEBBLN
Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)c(Cl)cc21	ZINC000223349281	570224486	/nfs/dbraw/zinc/22/44/86/570224486.db2.gz	ZGZCQVOEMPDTMR-UHFFFAOYSA-N	0	2	383.769	2.494	40	5		GEBBLN
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2O)C1=O)N1CCCCC1	ZINC000106765944	231019377	/nfs/dbraw/zinc/01/93/77/231019377.db2.gz	FPRVLRUQYMXIHQ-ZROIWOOFSA-N	0	2	391.405	2.349	40	5		GEBBLN
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc3c(c1)OCO3)[C@H]1CCCN12	ZINC000408564749	534803762	/nfs/dbraw/zinc/80/37/62/534803762.db2.gz	FQMKOBAFVGQOCI-LKRGOLFISA-N	0	2	393.399	2.470	40	5		GEBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2c[nH]c3ccc(Br)cc23)[nH]1	ZINC000006495545	531526635	/nfs/dbraw/zinc/52/66/35/531526635.db2.gz	YYJXJENOPRTDCZ-HNQUOIGGSA-N	0	2	377.154	2.386	40	5		GEBBLN
Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000408965315	231137048	/nfs/dbraw/zinc/13/70/48/231137048.db2.gz	VPMMWQPZQUWRPU-ZSOIEALJSA-N	0	2	396.359	2.140	40	5		GEBBLN
Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)cc21	ZINC000223347792	570224527	/nfs/dbraw/zinc/22/45/27/570224527.db2.gz	RHTWMZBVDPWNBS-UHFFFAOYSA-N	0	2	383.769	2.494	40	5		GEBBLN
COc1ccc(OC)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])c1	ZINC000408565066	231064029	/nfs/dbraw/zinc/06/40/29/231064029.db2.gz	HNGVZGGAPHXAAG-QMIHWGKISA-N	0	2	383.404	2.226	40	5		GEBBLN
COc1ccc(OC)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])c1	ZINC000408565066	231064033	/nfs/dbraw/zinc/06/40/33/231064033.db2.gz	HNGVZGGAPHXAAG-QMIHWGKISA-N	0	2	383.404	2.226	40	5		GEBBLN
COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC	ZINC000408569380	533147692	/nfs/dbraw/zinc/14/76/92/533147692.db2.gz	WHNJHKXDMSKSMI-CYFNAFFESA-N	0	2	383.404	2.226	40	5		GEBBLN
COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC	ZINC000408569383	533147811	/nfs/dbraw/zinc/14/78/11/533147811.db2.gz	WHNJHKXDMSKSMI-YHJVDBJQSA-N	0	2	383.404	2.226	40	5		GEBBLN
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000005457580	570328787	/nfs/dbraw/zinc/32/87/87/570328787.db2.gz	NYDFVUOGOFWVFR-OALUTQOASA-N	0	2	396.403	2.163	40	5		GEBBLN
CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000223653077	570322965	/nfs/dbraw/zinc/32/29/65/570322965.db2.gz	WBPNEPRWMFMFDA-UHFFFAOYSA-N	0	2	379.394	2.072	40	5		GEBBLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O	ZINC000007323171	570829155	/nfs/dbraw/zinc/82/91/55/570829155.db2.gz	XZYFODHCVADLPS-UHFFFAOYSA-N	0	2	391.405	2.313	40	5		GEBBLN
COc1ccc(OC)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])c1	ZINC000408565064	231064516	/nfs/dbraw/zinc/06/45/16/231064516.db2.gz	HNGVZGGAPHXAAG-DCPHZVHLSA-N	0	2	383.404	2.226	40	5		GEBBLN
COc1ccc(OC)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])c1	ZINC000408565064	231064520	/nfs/dbraw/zinc/06/45/20/231064520.db2.gz	HNGVZGGAPHXAAG-DCPHZVHLSA-N	0	2	383.404	2.226	40	5		GEBBLN
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc3c(c1)OCO3)[C@@H]1CCCN12	ZINC000408564751	534803557	/nfs/dbraw/zinc/80/35/57/534803557.db2.gz	FQMKOBAFVGQOCI-ZRRCRCOKSA-N	0	2	393.399	2.470	40	5		GEBBLN
COc1cccc(OC)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036000643	570559517	/nfs/dbraw/zinc/55/95/17/570559517.db2.gz	RQALZTOFHBIZEI-UHFFFAOYSA-N	0	2	377.378	2.444	40	5		GEBBLN
O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)N1CCCCC1	ZINC000106765957	231019401	/nfs/dbraw/zinc/01/94/01/231019401.db2.gz	GTAXNXADNCAHGG-ZROIWOOFSA-N	0	2	391.405	2.349	40	5		GEBBLN
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000014256259	210113970	/nfs/dbraw/zinc/11/39/70/210113970.db2.gz	HYYUWHRGBDIVIA-UHFFFAOYSA-N	0	2	396.377	2.199	40	5		GEBBLN
COC(=O)CCC(=O)C=C(O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000102964330	211419728	/nfs/dbraw/zinc/41/97/28/211419728.db2.gz	VYLYAUWPJSPYTL-UHFFFAOYSA-N	0	2	391.163	2.322	40	5		GEBBLN
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc3c(c1)OCO3)[C@H]1CCCN12	ZINC000408564748	534803832	/nfs/dbraw/zinc/80/38/32/534803832.db2.gz	FQMKOBAFVGQOCI-FEGHXTNJSA-N	0	2	393.399	2.470	40	5		GEBBLN
COc1ccc(OC)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])c1	ZINC000408565062	231064385	/nfs/dbraw/zinc/06/43/85/231064385.db2.gz	HNGVZGGAPHXAAG-BOUXLOLZSA-N	0	2	383.404	2.226	40	5		GEBBLN
COc1ccc(OC)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])c1	ZINC000408565062	231064387	/nfs/dbraw/zinc/06/43/87/231064387.db2.gz	HNGVZGGAPHXAAG-BOUXLOLZSA-N	0	2	383.404	2.226	40	5		GEBBLN
COc1cc(Br)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1O	ZINC000006380657	531525041	/nfs/dbraw/zinc/52/50/41/531525041.db2.gz	POYOLFYNKSNCIS-NSCUHMNNSA-N	0	2	384.142	2.443	40	5		GEBBLN
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc3c(c1)OCO3)[C@@H]1CCCN12	ZINC000408564750	534803510	/nfs/dbraw/zinc/80/35/10/534803510.db2.gz	FQMKOBAFVGQOCI-RMYQPGKMSA-N	0	2	393.399	2.470	40	5		GEBBLN
COCc1nnc(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)[nH]1	ZINC000040398979	570602410	/nfs/dbraw/zinc/60/24/10/570602410.db2.gz	JVVHAECWGVBRNH-UHFFFAOYSA-N	0	2	394.435	2.011	40	5		GEBBLN
O=C([O-])CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)[nH+]1	ZINC000329050623	209160090	/nfs/dbraw/zinc/16/00/90/209160090.db2.gz	UTXVIMMFYJFRHR-UHFFFAOYSA-N	0	2	379.376	2.004	40	5		GEBBLN
COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1OC	ZINC000408627816	533319135	/nfs/dbraw/zinc/31/91/35/533319135.db2.gz	NZKPBGURGYYMON-UHFFFAOYSA-N	0	2	377.378	2.444	40	5		GEBBLN
CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000223644614	570322654	/nfs/dbraw/zinc/32/26/54/570322654.db2.gz	VOSRBNVETIQXPI-UHFFFAOYSA-N	0	2	379.394	2.072	40	5		GEBBLN
O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2O)C1=O)N1CCCCC1	ZINC000106769952	231019282	/nfs/dbraw/zinc/01/92/82/231019282.db2.gz	IBKHOQYEWYREEU-LCYFTJDESA-N	0	2	391.405	2.349	40	5		GEBBLN
COc1ccc(OC)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])c1	ZINC000408565059	231063887	/nfs/dbraw/zinc/06/38/87/231063887.db2.gz	HNGVZGGAPHXAAG-ADLFWFRXSA-N	0	2	383.404	2.226	40	5		GEBBLN
COc1ccc(OC)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])c1	ZINC000408565059	231063890	/nfs/dbraw/zinc/06/38/90/231063890.db2.gz	HNGVZGGAPHXAAG-ADLFWFRXSA-N	0	2	383.404	2.226	40	5		GEBBLN
O=C([O-])CNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1	ZINC000328977825	212090182	/nfs/dbraw/zinc/09/01/82/212090182.db2.gz	FWGCXOYLNBBWTH-UHFFFAOYSA-N	0	2	379.376	2.004	40	5		GEBBLN
COc1cc(OC)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000408628013	533064768	/nfs/dbraw/zinc/06/47/68/533064768.db2.gz	PLCYLTLWRDJUBY-UHFFFAOYSA-N	0	2	377.378	2.444	40	5		GEBBLN
CCOC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000035183046	570247290	/nfs/dbraw/zinc/24/72/90/570247290.db2.gz	KEPZUYAUCQKFPB-HNNXBMFYSA-N	0	2	384.344	2.071	40	5		GEBBLN
COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000223644801	570322791	/nfs/dbraw/zinc/32/27/91/570322791.db2.gz	WZLIFSZIBMRNKL-UHFFFAOYSA-N	0	2	380.378	2.499	40	5		GEBBLN
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3O)C2=O)c1	ZINC000409102011	231160735	/nfs/dbraw/zinc/16/07/35/231160735.db2.gz	CGSLLBFBZKYXDT-NTEUORMPSA-N	0	2	396.359	2.140	40	5		GEBBLN
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000005457707	570328681	/nfs/dbraw/zinc/32/86/81/570328681.db2.gz	NYDFVUOGOFWVFR-RBUKOAKNSA-N	0	2	396.403	2.163	40	5		GEBBLN
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])ccc3O)C2=O)c1	ZINC000409098668	231160202	/nfs/dbraw/zinc/16/02/02/231160202.db2.gz	OQQZYKQAAGIUOW-OQLLNIDSSA-N	0	2	396.359	2.140	40	5		GEBBLN
COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000014256256	221307824	/nfs/dbraw/zinc/30/78/24/221307824.db2.gz	BFDNHERPMQRTPI-UHFFFAOYSA-N	0	2	396.377	2.199	40	5		GEBBLN
O=C1N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000408964381	534782044	/nfs/dbraw/zinc/78/20/44/534782044.db2.gz	RFDGPSRJAFPBAN-QPEQYQDCSA-N	0	2	384.304	2.302	40	5		GEBBLN
COC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000223653217	570323065	/nfs/dbraw/zinc/32/30/65/570323065.db2.gz	UFFKBZYTMDMRRR-UHFFFAOYSA-N	0	2	380.378	2.499	40	5		GEBBLN
O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)Nc1ccccc1[N+](=O)[O-]	ZINC000004474861	570796940	/nfs/dbraw/zinc/79/69/40/570796940.db2.gz	GNTIUIBXLZBXSZ-UHFFFAOYSA-N	0	2	398.400	2.063	40	5		GEBBLN
O=C(CSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1)Nc1ccccc1[N+](=O)[O-]	ZINC000004474861	570796942	/nfs/dbraw/zinc/79/69/42/570796942.db2.gz	GNTIUIBXLZBXSZ-UHFFFAOYSA-N	0	2	398.400	2.063	40	5		GEBBLN
CCOC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000035183045	570247286	/nfs/dbraw/zinc/24/72/86/570247286.db2.gz	KEPZUYAUCQKFPB-OAHLLOKOSA-N	0	2	384.344	2.071	40	5		GEBBLN
O=C([O-])CNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)[nH+]1	ZINC000329007582	212091947	/nfs/dbraw/zinc/09/19/47/212091947.db2.gz	LLHALLBUGBOFAH-UHFFFAOYSA-N	0	2	383.339	2.275	40	5		GEBBLN
COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC	ZINC000408569382	533147354	/nfs/dbraw/zinc/14/73/54/533147354.db2.gz	WHNJHKXDMSKSMI-VIZZQPHQSA-N	0	2	383.404	2.226	40	5		GEBBLN