smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@@H]12	ZINC000005767214	717101782	/nfs/dbraw/zinc/10/17/82/717101782.db2.gz	SEONMYOZACKEOS-DKGIJPSRSA-N	0	0	438.908	2.622	1	5		IFBFRN
COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c1	ZINC000015936249	563018729	/nfs/dbraw/zinc/01/87/29/563018729.db2.gz	SKXXSNJOVAQJRV-QGZVFWFLSA-N	0	0	430.461	2.779	3	5		IFBFRN
COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000027087307	563039186	/nfs/dbraw/zinc/03/91/86/563039186.db2.gz	FXSFCIZZSPZFCD-YOEHRIQHSA-N	0	0	438.845	2.690	1	5		IFBFRN
NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1[N+](=O)[O-]	ZINC000040423202	563102567	/nfs/dbraw/zinc/10/25/67/563102567.db2.gz	JCDSUHIIORPINC-UHFFFAOYSA-N	0	0	449.471	2.676	1	5		IFBFRN
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1	ZINC000042920104	563116134	/nfs/dbraw/zinc/11/61/34/563116134.db2.gz	PDFSDYZOTUUNJY-CJBPROBKSA-N	0	0	426.425	2.579	1	5		IFBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(OC(F)(F)F)cc3)c1)C2	ZINC000045253096	563126818	/nfs/dbraw/zinc/12/68/18/563126818.db2.gz	CVNDHYKQXUYQNO-AWEZNQCLSA-N	0	0	425.323	2.853	1	5		IFBFRN
COc1ccc([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1[N+](=O)[O-]	ZINC000045253669	563126907	/nfs/dbraw/zinc/12/69/07/563126907.db2.gz	XSHPTQJFXLACMV-HXUWFJFHSA-N	0	0	431.401	2.868	1	5		IFBFRN
CCOC(=O)C1=C(C)NC(C=CC(=O)OC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000064303482	563152631	/nfs/dbraw/zinc/15/26/31/563152631.db2.gz	NFZXRMVDNPOQBF-GDWUOILNSA-N	0	0	444.440	2.665	1	5		IFBFRN
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1Cl	ZINC000064516709	563154358	/nfs/dbraw/zinc/15/43/58/563154358.db2.gz	ANZIGEZBGDGXRK-GOSISDBHSA-N	0	0	431.861	2.903	1	5		IFBFRN
O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000073222051	563170600	/nfs/dbraw/zinc/17/06/00/563170600.db2.gz	DPUOECZUUULBLU-UHFFFAOYSA-N	0	0	427.498	2.974	1	5		IFBFRN
CC1(C)C[C@@H](NC(=O)C2=NS(=O)(=O)c3ccccc3N2)c2cc([N+](=O)[O-])ccc2O1	ZINC000084651996	563174919	/nfs/dbraw/zinc/17/49/19/563174919.db2.gz	RYTBJQRPSOKGQS-CQSZACIVSA-N	0	0	430.442	2.526	1	5		IFBFRN
O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	ZINC000084689583	563176205	/nfs/dbraw/zinc/17/62/05/563176205.db2.gz	HEFQNZROVSEKSA-UHFFFAOYSA-N	0	0	447.317	2.593	1	5		IFBFRN
CCCN(C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1	ZINC000095603916	563193563	/nfs/dbraw/zinc/19/35/63/563193563.db2.gz	FVERNMVWCQPUBH-UHFFFAOYSA-N	0	0	433.486	2.561	1	5		IFBFRN
CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@@H]12	ZINC000005767216	717101932	/nfs/dbraw/zinc/10/19/32/717101932.db2.gz	SEONMYOZACKEOS-CPXIAGANSA-N	0	0	438.908	2.622	1	5		IFBFRN
CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@H]12	ZINC000031795926	717120584	/nfs/dbraw/zinc/12/05/84/717120584.db2.gz	SEONMYOZACKEOS-GOGFOOHQSA-N	0	0	438.908	2.622	1	5		IFBFRN
CCCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SC[C@H](O)COC)cc1[N+](=O)[O-]	ZINC000006162521	562946425	/nfs/dbraw/zinc/94/64/25/562946425.db2.gz	DZNBNRYHENSPFK-CQSZACIVSA-N	0	0	440.478	2.944	3	5		IFBFRN
O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000013864288	563013516	/nfs/dbraw/zinc/01/35/16/563013516.db2.gz	NUSBDTNJOHWHOM-UHFFFAOYSA-N	0	0	440.412	2.940	1	5		IFBFRN
O=c1oc2cc(OCCCN3CC[NH+](Cc4ccccc4)CC3)ccc2c([O-])c1[N+](=O)[O-]	ZINC000029236214	563077014	/nfs/dbraw/zinc/07/70/14/563077014.db2.gz	SWSSTSABKSUKHP-UHFFFAOYSA-N	0	0	439.468	2.994	1	5		IFBFRN
O=[N+]([O-])c1ccc([C@H]2C[C@@H](O)N3CCN(Cc4ccc(Cl)nc4)C3=C2[N+](=O)[O-])cc1	ZINC000040409712	563101600	/nfs/dbraw/zinc/10/16/00/563101600.db2.gz	KMWWTXMJXPAIBN-NVXWUHKLSA-N	0	0	431.836	2.713	1	5		IFBFRN
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000040914468	563111193	/nfs/dbraw/zinc/11/11/93/563111193.db2.gz	SPDUASYCGZSSGT-GMAHTHKFSA-N	0	0	447.491	2.656	1	5		IFBFRN
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1Cl	ZINC000064516711	563154292	/nfs/dbraw/zinc/15/42/92/563154292.db2.gz	ANZIGEZBGDGXRK-SFHVURJKSA-N	0	0	431.861	2.903	1	5		IFBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@H](c1ncco1)c1ccc(OC(F)(F)F)cc1)C2	ZINC000072178898	563166383	/nfs/dbraw/zinc/16/63/83/563166383.db2.gz	IGZHXOGBMHNTJM-FZMZJTMJSA-N	0	0	425.323	2.818	1	5		IFBFRN
CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@@H]12	ZINC000254136472	717170199	/nfs/dbraw/zinc/17/01/99/717170199.db2.gz	SEONMYOZACKEOS-YVXPOVKHSA-N	0	0	438.908	2.622	1	5		IFBFRN
O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2c([nH]1)[nH]c(=S)[nH]c2=O)c1ccccc1	ZINC000005545741	562944069	/nfs/dbraw/zinc/94/40/69/562944069.db2.gz	GGIBOCMTZLLFAY-UVTDQMKNSA-N	0	0	434.437	2.771	1	5		IFBFRN
CCOC(=O)Cn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c1=O	ZINC000013755544	563004224	/nfs/dbraw/zinc/00/42/24/563004224.db2.gz	YJUBQDJOJDWZNL-UHFFFAOYSA-N	0	0	444.369	2.629	1	5		IFBFRN
CC(=O)Oc1cc2oc3cc(OC(C)=O)c(OC(C)=O)cc3c(=O)c2cc1OC(C)=O	ZINC000014764599	563014942	/nfs/dbraw/zinc/01/49/42/563014942.db2.gz	GVZVCPHPBNOQLD-UHFFFAOYSA-N	0	0	428.349	2.647	1	5		IFBFRN
COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c1	ZINC000015937514	563019298	/nfs/dbraw/zinc/01/92/98/563019298.db2.gz	RWOVGRVOMRCLTI-SFHVURJKSA-N	0	0	442.472	2.780	3	5		IFBFRN
COc1ccc([C@@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000026172123	563029414	/nfs/dbraw/zinc/02/94/14/563029414.db2.gz	QGJLKHPPBNNBCA-QUCCMNQESA-N	0	0	446.412	2.649	1	5		IFBFRN
O=C1OC[C@@H](Cc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000028137592	563051668	/nfs/dbraw/zinc/05/16/68/563051668.db2.gz	YDVOGFUYRSLWDG-OLZOCXBDSA-N	0	0	444.352	2.535	1	5		IFBFRN
O=C1OC[C@H](Cc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000028335142	563052712	/nfs/dbraw/zinc/05/27/12/563052712.db2.gz	YDVOGFUYRSLWDG-STQMWFEESA-N	0	0	444.352	2.535	1	5		IFBFRN
COc1cc(-c2nnc(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC	ZINC000028648996	563061091	/nfs/dbraw/zinc/06/10/91/563061091.db2.gz	GVELKUPDYFEJOD-UHFFFAOYSA-N	0	0	435.414	2.645	1	5		IFBFRN
CC(=O)O[C@H](c1ncc([N+](=O)[O-])n1C)[C@H](OC(C)=O)c1ccc(Br)cc1	ZINC000040424241	563102862	/nfs/dbraw/zinc/10/28/62/563102862.db2.gz	QOMZZLNQZJXGGK-CABCVRRESA-N	0	0	426.223	2.999	1	5		IFBFRN
CN(C)c1ccccc1C(=O)OC[C@@]1(CO)C/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O1	ZINC000040891861	563110008	/nfs/dbraw/zinc/11/00/08/563110008.db2.gz	FLMRTOQVDYLBOA-GSTVHYHFSA-N	0	0	426.425	2.579	1	5		IFBFRN
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1	ZINC000040894778	563110283	/nfs/dbraw/zinc/11/02/83/563110283.db2.gz	ZMQSMQZDTKLJAQ-BVZCLVNKSA-N	0	0	426.425	2.579	1	5		IFBFRN
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1	ZINC000040899706	563110821	/nfs/dbraw/zinc/11/08/21/563110821.db2.gz	NMXZXXZQIQOHKQ-GMAHTHKFSA-N	0	0	447.491	2.656	1	5		IFBFRN
COc1cc2c3cnc4cc5c(cc4c3n(CCn3ccnn3)c(=O)c2cc1OC)OCO5	ZINC000043066021	563117811	/nfs/dbraw/zinc/11/78/11/563117811.db2.gz	HNEFVQQGCVQZPE-UHFFFAOYSA-N	0	0	445.435	2.741	1	5		IFBFRN
COc1cccc(N2CCN(C3=C(Cl)C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)CC2)c1	ZINC000064623288	563156582	/nfs/dbraw/zinc/15/65/82/563156582.db2.gz	SNCCOGPAZNFDAM-UHFFFAOYSA-N	0	0	442.859	2.749	1	5		IFBFRN
O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccc(I)cn21	ZINC000096939353	563200020	/nfs/dbraw/zinc/20/00/20/563200020.db2.gz	BBFXEMHLNMDRCN-UHFFFAOYSA-N	0	0	443.222	2.821	1	5		IFBFRN
COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c1	ZINC000015936248	563018742	/nfs/dbraw/zinc/01/87/42/563018742.db2.gz	SKXXSNJOVAQJRV-KRWDZBQOSA-N	0	0	430.461	2.779	3	5		IFBFRN
COc1ccc([C@@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000026172113	563029474	/nfs/dbraw/zinc/02/94/74/563029474.db2.gz	QGJLKHPPBNNBCA-UYAOXDASSA-N	0	0	446.412	2.649	1	5		IFBFRN
COc1ccc(-c2cn(C(C)=O)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000029131454	563075571	/nfs/dbraw/zinc/07/55/71/563075571.db2.gz	NATFXHSFCGYQLH-UHFFFAOYSA-N	0	0	443.412	2.909	1	5		IFBFRN
CC(C)=C(C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1S(C)(=O)=O	ZINC000029254301	563077385	/nfs/dbraw/zinc/07/73/85/563077385.db2.gz	CWVIAJKEQSMTNW-RXBGNRNISA-N	0	0	436.486	2.827	1	5		IFBFRN
O=[N+]([O-])c1ccc([C@@H]2C[C@H](O)N3CCN(Cc4ccc(Cl)nc4)C3=C2[N+](=O)[O-])cc1	ZINC000040409700	563101613	/nfs/dbraw/zinc/10/16/13/563101613.db2.gz	KMWWTXMJXPAIBN-RDJZCZTQSA-N	0	0	431.836	2.713	1	5		IFBFRN
CCOC(=O)C1CCN(c2ncnc(Oc3ccc(-n4cncn4)cc3)c2[N+](=O)[O-])CC1	ZINC000040846102	563107426	/nfs/dbraw/zinc/10/74/26/563107426.db2.gz	BEQXVWQBFMRYNW-UHFFFAOYSA-N	0	0	439.432	2.537	1	5		IFBFRN
Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)s1	ZINC000040937596	563113079	/nfs/dbraw/zinc/11/30/79/563113079.db2.gz	IQYRBXVQYZXUNQ-UHFFFAOYSA-N	0	0	439.910	2.524	1	5		IFBFRN
C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000040950208	563113825	/nfs/dbraw/zinc/11/38/25/563113825.db2.gz	HPXPYPPJQGRHJK-KBVBDRTLSA-N	0	0	439.453	2.976	1	5		IFBFRN
CCCNS(=O)(=O)c1c(OC)cc(OC)c2c(=O)c3cc(OC)c(OC)cc3oc21	ZINC000049071554	563137922	/nfs/dbraw/zinc/13/79/22/563137922.db2.gz	FJDBGEGLBKLDRA-UHFFFAOYSA-N	0	0	437.470	2.669	1	5		IFBFRN
O=C(Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1	ZINC000073199220	563170175	/nfs/dbraw/zinc/17/01/75/563170175.db2.gz	QQTGNTGVNBTXSA-HNNXBMFYSA-N	0	0	447.373	2.992	1	5		IFBFRN
CC[C@@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4cccc(OC)c43)[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC	ZINC000238761000	717162692	/nfs/dbraw/zinc/16/26/92/717162692.db2.gz	MIGLCSJYCZVLHM-HTGLQEOHSA-N	0	0	430.501	2.721	1	5		IFBFRN
COC1=C(OCc2ccc([N+](=O)[O-])cc2)C(=O)O/C1=C\Cn1cnc2c1ncnc2Cl	ZINC000013862801	563013194	/nfs/dbraw/zinc/01/31/94/563013194.db2.gz	LPHNHZBSEKDTEG-MLPAPPSSSA-N	0	0	443.803	2.903	1	5		IFBFRN
O=C(OCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1	ZINC000013864292	563013504	/nfs/dbraw/zinc/01/35/04/563013504.db2.gz	JVQWLEXGZBOTFC-UHFFFAOYSA-N	0	0	438.396	2.850	1	5		IFBFRN
O=c1[nH]cnc2c([N+](=O)[O-])ccc(Nc3ccc(OCCCN4CCOCC4)cc3)c12	ZINC000040584921	563105445	/nfs/dbraw/zinc/10/54/45/563105445.db2.gz	HPWCWWFMQLRLSU-UHFFFAOYSA-N	0	0	425.445	2.676	1	5		IFBFRN
O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@H](OCc1ccc(OCc3ccccc3)cc1)C2	ZINC000040919115	563112016	/nfs/dbraw/zinc/11/20/16/563112016.db2.gz	XSTXGIIZMXYPDJ-GOSISDBHSA-N	0	0	429.454	2.743	1	5		IFBFRN
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1	ZINC000042878216	563115801	/nfs/dbraw/zinc/11/58/01/563115801.db2.gz	PDFSDYZOTUUNJY-JRVGGCGHSA-N	0	0	426.425	2.579	1	5		IFBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccn(-c3ccc(OC(F)(F)F)cc3)n1)C2	ZINC000045245472	563126556	/nfs/dbraw/zinc/12/65/56/563126556.db2.gz	WOUNGOPDUKEZGZ-AWEZNQCLSA-N	0	0	425.323	2.853	1	5		IFBFRN
O=C(OCCCc1cccnc1)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000066102447	563158466	/nfs/dbraw/zinc/15/84/66/563158466.db2.gz	XAAHWACETUTGKH-LJQANCHMSA-N	0	0	433.486	2.709	1	5		IFBFRN
CC(C)NC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12	ZINC000073407519	563172814	/nfs/dbraw/zinc/17/28/14/563172814.db2.gz	XQNRPEQMQSBDMJ-PJQXDXOGSA-N	0	0	435.458	2.534	1	5		IFBFRN
CC[C@@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4cccc(OC)c43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC	ZINC000238760986	717162728	/nfs/dbraw/zinc/16/27/28/717162728.db2.gz	MIGLCSJYCZVLHM-MRMSZKKKSA-N	0	0	430.501	2.721	1	5		IFBFRN
CC(=O)Oc1cc2oc3c(ccc(OC(C)=O)c3OC(C)=O)c(=O)c2cc1OC(C)=O	ZINC000014764594	563014945	/nfs/dbraw/zinc/01/49/45/563014945.db2.gz	SABQRJRRONNVJZ-UHFFFAOYSA-N	0	0	428.349	2.647	1	5		IFBFRN
COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c1	ZINC000015937516	563019314	/nfs/dbraw/zinc/01/93/14/563019314.db2.gz	RWOVGRVOMRCLTI-GOSISDBHSA-N	0	0	442.472	2.780	3	5		IFBFRN
COC1=C(OCc2ccc([N+](=O)[O-])cc2)/C(=C/CN2CNc3c2ncnc3Cl)OC1=O	ZINC000028637052	563059879	/nfs/dbraw/zinc/05/98/79/563059879.db2.gz	AOFMIRTYWIZYGI-MLPAPPSSSA-N	0	0	445.819	2.743	1	5		IFBFRN
CC1=C(C(=O)OCCO[N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC(C)C)=C(C)N1	ZINC000031861376	563083618	/nfs/dbraw/zinc/08/36/18/563083618.db2.gz	UUVQSTXXCLOSJD-GOSISDBHSA-N	0	0	449.416	2.533	1	5		IFBFRN
CC1=C(C(=O)OCCO[N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1	ZINC000031861381	563083623	/nfs/dbraw/zinc/08/36/23/563083623.db2.gz	HMBFMVGEQHJWAS-SFHVURJKSA-N	0	0	449.416	2.533	1	5		IFBFRN
CCCCOC(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)[C@@H]1c1ncc([N+](=O)[O-])n1C	ZINC000040861624	563108101	/nfs/dbraw/zinc/10/81/01/563108101.db2.gz	SMKIICNEQATSKE-SFHVURJKSA-N	0	0	433.509	2.775	1	5		IFBFRN
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1	ZINC000040894775	563110331	/nfs/dbraw/zinc/11/03/31/563110331.db2.gz	ZMQSMQZDTKLJAQ-JRVGGCGHSA-N	0	0	426.425	2.579	1	5		IFBFRN
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](O)[C@@H](O)CC3	ZINC000043020857	563117206	/nfs/dbraw/zinc/11/72/06/563117206.db2.gz	UVJFVMZVICCYGP-DLBZAZTESA-N	0	0	425.444	2.912	1	5		IFBFRN
Cc1nn2c(SCC(=O)NC3C4CC5CC(C4)CC3C5)nc3ccccc3c2nc1=O	ZINC000073142414	563169040	/nfs/dbraw/zinc/16/90/40/563169040.db2.gz	NTIOHGJTWMJZAK-UHFFFAOYSA-N	0	0	435.553	2.979	1	5		IFBFRN
Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@H]1CC(C)(C)Oc3ccc([N+](=O)[O-])cc31)N2	ZINC000084710983	563177402	/nfs/dbraw/zinc/17/74/02/563177402.db2.gz	YXDRBDCDJQJPIS-HNNXBMFYSA-N	0	0	444.469	2.835	1	5		IFBFRN
COc1cc(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c([N+](=O)[O-])cc1OC	ZINC000013864295	563013567	/nfs/dbraw/zinc/01/35/67/563013567.db2.gz	SRLUSKSRBCDEPX-UHFFFAOYSA-N	0	0	440.456	2.661	1	5		IFBFRN
COC(=O)C1C(=C[S@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)[C@@H]1c1ccccc1	ZINC000017191194	563021531	/nfs/dbraw/zinc/02/15/31/563021531.db2.gz	FPJKDKRFARAODR-WTPASJBYSA-N	0	0	447.425	2.656	1	5		IFBFRN
COc1ccc([C@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000026172127	563029436	/nfs/dbraw/zinc/02/94/36/563029436.db2.gz	QGJLKHPPBNNBCA-ICSRJNTNSA-N	0	0	446.412	2.649	1	5		IFBFRN
CCO[C@H]1c2cc3cccc([N+](=O)[O-])c3nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC	ZINC000027192875	563040438	/nfs/dbraw/zinc/04/04/38/563040438.db2.gz	DAJLWZOINRYWKC-UNMCSNQZSA-N	0	0	437.408	2.523	1	5		IFBFRN
O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000027715532	563045729	/nfs/dbraw/zinc/04/57/29/563045729.db2.gz	WFEOSUOHPMGASR-UHFFFAOYSA-N	0	0	433.534	2.900	1	5		IFBFRN
CCCCCS(=O)(=O)C[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000028014612	563049871	/nfs/dbraw/zinc/04/98/71/563049871.db2.gz	QWRNEHAXGDCXAX-HNNXBMFYSA-N	0	0	426.413	2.908	1	5		IFBFRN
O=C1NCc2c1c1c3cc(CO)ccc3n3c1c1c2c2cc(CO)ccc2n1C[C@@H](CO)C3	ZINC000028819557	563065167	/nfs/dbraw/zinc/06/51/67/563065167.db2.gz	IJTRBCMMSIRTDG-OAHLLOKOSA-N	0	0	441.487	2.753	1	5		IFBFRN
COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc([N+](=O)[O-])cc3)n2CCO)cc1	ZINC000029124637	563074178	/nfs/dbraw/zinc/07/41/78/563074178.db2.gz	ICVPEUWMWVLIAP-XDOYNYLZSA-N	0	0	428.470	2.872	1	5		IFBFRN
CC1=C(C(=O)OCCO[N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC(C)C)=C(C)N1	ZINC000031861374	563083587	/nfs/dbraw/zinc/08/35/87/563083587.db2.gz	UUVQSTXXCLOSJD-SFHVURJKSA-N	0	0	449.416	2.533	1	5		IFBFRN
CC(C)N1CCN(c2cnc3ccc4ccc(NS(C)(=O)=O)cc4c(=O)c3c2)CC1	ZINC000034873705	563088361	/nfs/dbraw/zinc/08/83/61/563088361.db2.gz	SZYARCOFJFUANJ-UHFFFAOYSA-N	0	0	426.542	2.650	1	5		IFBFRN
CN(C)c1cccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)c1	ZINC000040394850	563100555	/nfs/dbraw/zinc/10/05/55/563100555.db2.gz	FSLCQWSZAPTPIV-IHSQGBLNSA-N	0	0	426.425	2.579	1	5		IFBFRN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc1c(ccc(OC(C)=O)c1OC(C)=O)c2=O	ZINC000040413687	563101938	/nfs/dbraw/zinc/10/19/38/563101938.db2.gz	MQYHSMXEWFHCOO-UHFFFAOYSA-N	0	0	428.349	2.647	1	5		IFBFRN
O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@@H](OCc1ccc(OCc3ccccc3)cc1)C2	ZINC000040919116	563112027	/nfs/dbraw/zinc/11/20/27/563112027.db2.gz	XSTXGIIZMXYPDJ-SFHVURJKSA-N	0	0	429.454	2.743	1	5		IFBFRN
O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000049808007	563140225	/nfs/dbraw/zinc/14/02/25/563140225.db2.gz	UOEHFKWXAJDSRW-UHFFFAOYSA-N	0	0	446.506	2.798	1	5		IFBFRN
COc1cc2c(cc1OC)c1c(=O)[nH]c3ccccc3c1n(CCCN1CCOCC1)c2=O	ZINC000066263730	563161052	/nfs/dbraw/zinc/16/10/52/563161052.db2.gz	UHAZIBLIWGJAKH-UHFFFAOYSA-N	0	0	449.507	2.736	1	5		IFBFRN
CCNC(=O)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1	ZINC000072178896	563166378	/nfs/dbraw/zinc/16/63/78/563166378.db2.gz	LWSUNCOXPQKBKN-LBPRGKRZSA-N	0	0	429.355	2.683	1	5		IFBFRN
O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)s2)o1	ZINC000073292400	563171899	/nfs/dbraw/zinc/17/18/99/563171899.db2.gz	NEUURDBNEYTVFU-UHFFFAOYSA-N	0	0	428.390	2.866	1	5		IFBFRN
CCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(cccc3[N+](=O)[O-])nc2-1	ZINC000003827291	562938965	/nfs/dbraw/zinc/93/89/65/562938965.db2.gz	DWWLEJVEBYDPHM-QHCPKHFHSA-N	0	0	449.419	2.949	1	5		IFBFRN
O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020646249	563025055	/nfs/dbraw/zinc/02/50/55/563025055.db2.gz	DSGXRODWBIBRGI-UHFFFAOYSA-N	0	0	442.475	2.534	3	5		IFBFRN
O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000020646329	563025085	/nfs/dbraw/zinc/02/50/85/563025085.db2.gz	MIJVEARSGVXVPI-UHFFFAOYSA-N	0	0	442.475	2.534	3	5		IFBFRN
COC(=O)C[C@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000027087296	563039218	/nfs/dbraw/zinc/03/92/18/563039218.db2.gz	FXSFCIZZSPZFCD-WMLDXEAASA-N	0	0	438.845	2.690	1	5		IFBFRN
C[C@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000028013028	563049783	/nfs/dbraw/zinc/04/97/83/563049783.db2.gz	HSGAFOSEUZZAIR-INIZCTEOSA-N	0	0	432.376	2.777	1	5		IFBFRN
CN(C)c1cccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccccc3[N+](=O)[O-])C(=O)O2)c1	ZINC000040394851	563100521	/nfs/dbraw/zinc/10/05/21/563100521.db2.gz	FSLCQWSZAPTPIV-BPNKPRMTSA-N	0	0	426.425	2.579	1	5		IFBFRN
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1	ZINC000042878221	563115836	/nfs/dbraw/zinc/11/58/36/563115836.db2.gz	PDFSDYZOTUUNJY-BVZCLVNKSA-N	0	0	426.425	2.579	1	5		IFBFRN
NC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1[N+](=O)[O-]	ZINC000045202619	563125055	/nfs/dbraw/zinc/12/50/55/563125055.db2.gz	JYVMFMWZHGVUKY-UHFFFAOYSA-N	0	0	435.444	2.808	1	5		IFBFRN
CC(C)Cc1[nH]nc2c1nc(-c1cccc([N+](=O)[O-])c1)n(NC(=O)c1ccncc1)c2=O	ZINC000049033319	563135956	/nfs/dbraw/zinc/13/59/56/563135956.db2.gz	SBEPCMMDPKWGTP-UHFFFAOYSA-N	0	0	433.428	2.672	1	5		IFBFRN
Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000049069106	563137647	/nfs/dbraw/zinc/13/76/47/563137647.db2.gz	NSOPBBBAYUYNKP-UHFFFAOYSA-N	0	0	428.412	2.767	1	5		IFBFRN
CC(C)CC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12	ZINC000072940761	563168540	/nfs/dbraw/zinc/16/85/40/563168540.db2.gz	LPGZKGFSHYEZCM-LWLIDHTLSA-N	0	0	434.470	2.989	1	5		IFBFRN
CCn1c(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)n[nH]c1=S	ZINC000084636121	563174778	/nfs/dbraw/zinc/17/47/78/563174778.db2.gz	AORKCBGQZSCTGG-UHFFFAOYSA-N	0	0	427.446	2.514	1	5		IFBFRN
COc1ccccc1-n1nncc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000084652165	563174914	/nfs/dbraw/zinc/17/49/14/563174914.db2.gz	WDRIQKPEYQONNT-UHFFFAOYSA-N	0	0	442.863	2.800	1	5		IFBFRN
CCCN(C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1	ZINC000095604002	563193637	/nfs/dbraw/zinc/19/36/37/563193637.db2.gz	FPEPJLVQURYETR-UHFFFAOYSA-N	0	0	447.513	2.952	1	5		IFBFRN
CCNC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@H]12	ZINC000031795931	717120536	/nfs/dbraw/zinc/12/05/36/717120536.db2.gz	SEONMYOZACKEOS-DUGPEFOCSA-N	0	0	438.908	2.622	1	5		IFBFRN
CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@H]12	ZINC000254136469	717170325	/nfs/dbraw/zinc/17/03/25/717170325.db2.gz	SEONMYOZACKEOS-WXFMPLRXSA-N	0	0	438.908	2.622	1	5		IFBFRN
O=C(c1cccn2c(=O)c3cc(Br)ccc3nc12)N1CCC2(CC1)OCCO2	ZINC000002957436	562931208	/nfs/dbraw/zinc/93/12/08/562931208.db2.gz	OOJANGFXTFGKRR-UHFFFAOYSA-N	0	0	444.285	2.589	3	5		IFBFRN
CCCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SC[C@@H](O)COC)cc1[N+](=O)[O-]	ZINC000006162522	562946402	/nfs/dbraw/zinc/94/64/02/562946402.db2.gz	DZNBNRYHENSPFK-AWEZNQCLSA-N	0	0	440.478	2.944	3	5		IFBFRN
C[C@@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000028013023	563049766	/nfs/dbraw/zinc/04/97/66/563049766.db2.gz	HSGAFOSEUZZAIR-MRXNPFEDSA-N	0	0	432.376	2.777	1	5		IFBFRN
CN(C)c1cccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1	ZINC000040394351	563100439	/nfs/dbraw/zinc/10/04/39/563100439.db2.gz	IFUHJQQTVGZDOT-BPNKPRMTSA-N	0	0	426.425	2.579	1	5		IFBFRN
CN(C)c1ccccc1C(=O)OC[C@@]1(CO)C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1	ZINC000040394615	563100570	/nfs/dbraw/zinc/10/05/70/563100570.db2.gz	DLAPMOQPJFXTOG-VROYLXGSSA-N	0	0	426.425	2.579	1	5		IFBFRN
CC(=O)O[C@H](c1ccc(Br)cc1)[C@@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C	ZINC000040424243	563102888	/nfs/dbraw/zinc/10/28/88/563102888.db2.gz	QOMZZLNQZJXGGK-HUUCEWRRSA-N	0	0	426.223	2.999	1	5		IFBFRN
Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000049021271	563135689	/nfs/dbraw/zinc/13/56/89/563135689.db2.gz	KLKKCSXPCYQBAC-UHFFFAOYSA-N	0	0	436.519	2.848	1	5		IFBFRN
O=C(Nn1c(=O)c2n[nH]c(-c3ccco3)c2nc1-c1cccc([N+](=O)[O-])c1)c1cccnc1	ZINC000049033036	563135923	/nfs/dbraw/zinc/13/59/23/563135923.db2.gz	CZBRKIRZOAZZQF-UHFFFAOYSA-N	0	0	443.379	2.734	1	5		IFBFRN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000064693593	563156675	/nfs/dbraw/zinc/15/66/75/563156675.db2.gz	WHJCABOEZYNBKE-UHFFFAOYSA-N	0	0	446.481	2.561	1	5		IFBFRN
COC/C=C1/C[N+]2([O-])[C@H]3C[C@]45c6c(c(OC)cc(OC)c6OC)N=C4OC[C@H]3[C@H]1C[C@@H]52	ZINC000015252305	717111414	/nfs/dbraw/zinc/11/14/14/717111414.db2.gz	KYRGYFIBUVLRAO-ZOXFUSKHSA-N	0	0	428.485	2.702	1	5		IFBFRN
COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@@H]1C[N+]4([O-])C[C@@H](C)[C@@H](C[C@@H]4[C@@]12COC(C)=O)C3=O	ZINC000238740048	717162342	/nfs/dbraw/zinc/16/23/42/717162342.db2.gz	SMXUAZRFOMOTFP-NTMNGVOCSA-N	0	0	443.540	2.767	1	5		IFBFRN
COC(=O)C1C(=C[S@@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)[C@H]1c1ccccc1	ZINC000005813123	562944835	/nfs/dbraw/zinc/94/48/35/562944835.db2.gz	FPJKDKRFARAODR-DRKIFQHWSA-N	0	0	447.425	2.656	1	5		IFBFRN
CCOC(=O)Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc-2c1=O	ZINC000013755543	563004264	/nfs/dbraw/zinc/00/42/64/563004264.db2.gz	PTJZKMICSYYFNC-UHFFFAOYSA-N	0	0	445.262	2.917	1	5		IFBFRN
COc1cc(O)c2c(c1)n(C)c1cc(N3CCN(c4ccccn4)CC3)c(N)cc1c2=O	ZINC000028572672	563059679	/nfs/dbraw/zinc/05/96/79/563059679.db2.gz	XPPLVGGOTCAKSI-UHFFFAOYSA-N	0	0	431.496	2.710	1	5		IFBFRN
O=C1NCc2c1c1c3cc(CO)ccc3n3c1c1c2c2cc(CO)ccc2n1C[C@H](CO)C3	ZINC000028819558	563065108	/nfs/dbraw/zinc/06/51/08/563065108.db2.gz	IJTRBCMMSIRTDG-HNNXBMFYSA-N	0	0	441.487	2.753	1	5		IFBFRN
CN(C)c1ccccc1C(=O)OC[C@]1(CO)C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1	ZINC000040891853	563109893	/nfs/dbraw/zinc/10/98/93/563109893.db2.gz	IPVIQFGGNFHDIO-UPMCQBDUSA-N	0	0	426.425	2.579	1	5		IFBFRN
O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCOCCN1CCOCC1	ZINC000040934071	563112314	/nfs/dbraw/zinc/11/23/14/563112314.db2.gz	DOSUEZFPIXNQNJ-UHFFFAOYSA-N	0	0	426.473	2.872	1	5		IFBFRN
COc1cc(C=C2SC(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000049050962	563136878	/nfs/dbraw/zinc/13/68/78/563136878.db2.gz	MOGCENPOJLYKOM-CXUHLZMHSA-N	0	0	429.410	2.945	1	5		IFBFRN
CC(=O)Nc1cc(Cc2cc3oc4cc(=O)c(NC(C)=O)cc-4nc3cc2CO)ccc1O	ZINC000095597527	563191866	/nfs/dbraw/zinc/19/18/66/563191866.db2.gz	VCRVBZKVBRQVRP-UHFFFAOYSA-N	0	0	447.447	2.998	1	5		IFBFRN
CN1CCN(CC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CC1	ZINC000096258334	563196584	/nfs/dbraw/zinc/19/65/84/563196584.db2.gz	HJDPCBUZHOJABL-UHFFFAOYSA-N	0	0	440.507	2.668	1	5		IFBFRN
COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)Cn1nnn(-c2ccc(C(F)(F)F)cc2)c1=O	ZINC000098082578	563200674	/nfs/dbraw/zinc/20/06/74/563200674.db2.gz	QSBGXNDSYITOKG-JLHYYAGUSA-N	0	0	449.345	2.613	1	5		IFBFRN
C/C=C/C=C/C(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)/C=C/C=C/C	ZINC000033822395	717121849	/nfs/dbraw/zinc/12/18/49/717121849.db2.gz	VTXPJSLVGYHUPM-VLAOGXOLSA-O	0	0	446.457	2.546	1	5		IFBFRN
COC(=O)C1C(=C[S@@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)[C@@H]1c1ccccc1	ZINC000005813122	562944850	/nfs/dbraw/zinc/94/48/50/562944850.db2.gz	FPJKDKRFARAODR-OKXSDPAFSA-N	0	0	447.425	2.656	1	5		IFBFRN
COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000027087301	563039173	/nfs/dbraw/zinc/03/91/73/563039173.db2.gz	FXSFCIZZSPZFCD-RHSMWYFYSA-N	0	0	438.845	2.690	1	5		IFBFRN
CCCCCS(=O)(=O)C[C@@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000028014606	563049879	/nfs/dbraw/zinc/04/98/79/563049879.db2.gz	QWRNEHAXGDCXAX-OAHLLOKOSA-N	0	0	426.413	2.908	1	5		IFBFRN
O=C(c1nc2c([nH]1)c1[nH]c(=O)oc1c1[nH]c(=O)oc21)N1CCC(Cc2ccccc2)CC1	ZINC000036294473	563092557	/nfs/dbraw/zinc/09/25/57/563092557.db2.gz	IJYMQTPAPYYNKS-UHFFFAOYSA-N	0	0	433.424	2.527	1	5		IFBFRN
CN(C)c1cccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)c1	ZINC000040394350	563100384	/nfs/dbraw/zinc/10/03/84/563100384.db2.gz	IFUHJQQTVGZDOT-IHSQGBLNSA-N	0	0	426.425	2.579	1	5		IFBFRN
CN(C)c1ccccc1C(=O)OC[C@]1(CO)C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1	ZINC000040394614	563100535	/nfs/dbraw/zinc/10/05/35/563100535.db2.gz	DLAPMOQPJFXTOG-JLOHOZFJSA-N	0	0	426.425	2.579	1	5		IFBFRN
CS(=O)(=O)c1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1	ZINC000045256902	563127429	/nfs/dbraw/zinc/12/74/29/563127429.db2.gz	YPWFEJXEYCZJCI-KRWDZBQOSA-N	0	0	429.454	2.840	1	5		IFBFRN
COc1c(OC)c2c(c([N+](=O)[O-])c1OC)CC[C@H](NC(C)=O)c1cc(=O)c(OC)ccc1-2	ZINC000073274390	563171594	/nfs/dbraw/zinc/17/15/94/563171594.db2.gz	XVNXPKLBHNUUKY-HNNXBMFYSA-N	0	0	444.440	2.780	1	5		IFBFRN
Cc1cc(=O)oc2c1ccc1c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cccc12	ZINC000084616246	563174357	/nfs/dbraw/zinc/17/43/57/563174357.db2.gz	HGYXQDREOMUPQE-UHFFFAOYSA-N	0	0	438.461	2.920	1	5		IFBFRN
CN(C)C(=O)C1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1	ZINC000095572721	563184880	/nfs/dbraw/zinc/18/48/80/563184880.db2.gz	AMQUHEPFPHAACX-UHFFFAOYSA-N	0	0	430.408	2.888	1	5		IFBFRN
O=C(CN1CCOCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	ZINC000096258335	563196540	/nfs/dbraw/zinc/19/65/40/563196540.db2.gz	TWCJQHKRTSUKPE-UHFFFAOYSA-N	0	0	427.464	2.753	1	5		IFBFRN
COC/C=C1\C[N+]2([O-])[C@H]3C[C@]45c6c(c(OC)cc(OC)c6OC)N=C4OC[C@H]3[C@H]1C[C@@H]52	ZINC000096085802	717140715	/nfs/dbraw/zinc/14/07/15/717140715.db2.gz	KYRGYFIBUVLRAO-WBZVWLCISA-N	0	0	428.485	2.702	1	5		IFBFRN
CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@@](O)(CC)c3ccc(Cl)cc3)[C@H]12	ZINC000254136476	717170249	/nfs/dbraw/zinc/17/02/49/717170249.db2.gz	SEONMYOZACKEOS-ZUXGEGRZSA-N	0	0	438.908	2.622	1	5		IFBFRN
COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC	ZINC000003986637	562940402	/nfs/dbraw/zinc/94/04/02/562940402.db2.gz	FLEAYYMORDPWAJ-UHFFFAOYSA-N	0	0	440.416	2.997	1	5		IFBFRN
COc1cc2ncnc(N3CCN(C(=O)Nc4ccccc4[N+](=O)[O-])CC3)c2cc1OC	ZINC000013474768	562988736	/nfs/dbraw/zinc/98/87/36/562988736.db2.gz	DJCXBGBTOUKRNR-UHFFFAOYSA-N	0	0	438.444	2.909	1	5		IFBFRN
CCO[C@@H]1c2cc3c(cccc3[N+](=O)[O-])nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC	ZINC000027193147	563040436	/nfs/dbraw/zinc/04/04/36/563040436.db2.gz	SIFMTKFSJGQHQQ-IRLDBZIGSA-N	0	0	437.408	2.523	1	5		IFBFRN
COc1cc(-c2nnc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC	ZINC000028649031	563061056	/nfs/dbraw/zinc/06/10/56/563061056.db2.gz	YYFDIVRJQCAXAJ-UHFFFAOYSA-N	0	0	435.414	2.645	1	5		IFBFRN
COc1cc2c(cc1OC)c1nnc3cc4c(cc3c1n(CCn1ccnc1)c2=O)OCO4	ZINC000029044999	563072523	/nfs/dbraw/zinc/07/25/23/563072523.db2.gz	DIFAAMUVGKAQIF-UHFFFAOYSA-N	0	0	445.435	2.741	1	5		IFBFRN
O=[N+]([O-])c1ccc([C@H]2C[C@H](O)N3CCN(Cc4ccc(Cl)nc4)C3=C2[N+](=O)[O-])cc1	ZINC000040409704	563101587	/nfs/dbraw/zinc/10/15/87/563101587.db2.gz	KMWWTXMJXPAIBN-WBVHZDCISA-N	0	0	431.836	2.713	1	5		IFBFRN
CCCCOC(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)[C@H]1c1ncc([N+](=O)[O-])n1C	ZINC000040861626	563108082	/nfs/dbraw/zinc/10/80/82/563108082.db2.gz	SMKIICNEQATSKE-GOSISDBHSA-N	0	0	433.509	2.775	1	5		IFBFRN
CN(C)c1cccc(C(=O)OC[C@]2(CO)C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)c1	ZINC000040893860	563110275	/nfs/dbraw/zinc/11/02/75/563110275.db2.gz	XXBDTXRLNOWZQH-CQTHNFAISA-N	0	0	426.425	2.579	1	5		IFBFRN
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1	ZINC000064436565	563152956	/nfs/dbraw/zinc/15/29/56/563152956.db2.gz	SJWDBKWBFHCWPA-SFHVURJKSA-N	0	0	431.861	2.903	1	5		IFBFRN
O=C(OCCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000066102448	563158472	/nfs/dbraw/zinc/15/84/72/563158472.db2.gz	XAAHWACETUTGKH-IBGZPJMESA-N	0	0	433.486	2.709	1	5		IFBFRN
Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@@H]1CC(C)(C)Oc3ccc([N+](=O)[O-])cc31)N2	ZINC000084710981	563177411	/nfs/dbraw/zinc/17/74/11/563177411.db2.gz	YXDRBDCDJQJPIS-OAHLLOKOSA-N	0	0	444.469	2.835	1	5		IFBFRN
COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)cn3c2[N+](=O)[O-])cc1	ZINC000096939371	563200004	/nfs/dbraw/zinc/20/00/04/563200004.db2.gz	KGWOHRZNINTJIX-UHFFFAOYSA-N	0	0	426.248	2.988	1	5		IFBFRN
CCNC(=O)O[C@@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@](O)(CC)c3ccc(Cl)cc3)[C@@H]12	ZINC000254136464	717170290	/nfs/dbraw/zinc/17/02/90/717170290.db2.gz	SEONMYOZACKEOS-CVOKININSA-N	0	0	438.908	2.622	1	5		IFBFRN
O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000013144706	132345802	/nfs/dbraw/zinc/34/58/02/132345802.db2.gz	RTRWWRFAKXNNTO-WGKKAQPQSA-N	0	0	445.479	2.628	1	5		IFBFRN
CO[C@H]1C(=O)N2c3c(cn(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)CS(=O)(=O)[C@H]12	ZINC000027746711	563046749	/nfs/dbraw/zinc/04/67/49/563046749.db2.gz	XCQZEAPMSLWZHR-PZJWPPBQSA-N	0	0	439.449	2.669	1	5		IFBFRN
COc1cc(OC)nc(NC(=S)NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1	ZINC000028566348	563058284	/nfs/dbraw/zinc/05/82/84/563058284.db2.gz	NAKNLHCKZXSNDW-UHFFFAOYSA-N	0	0	429.414	2.789	1	5		IFBFRN
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1	ZINC000040394846	563100538	/nfs/dbraw/zinc/10/05/38/563100538.db2.gz	XJIZSZWEOKQXGN-BPNKPRMTSA-N	0	0	426.425	2.579	1	5		IFBFRN
O=[N+]([O-])c1ccc([C@@H]2C[C@@H](O)N3CCN(Cc4ccc(Cl)nc4)C3=C2[N+](=O)[O-])cc1	ZINC000040409708	563101591	/nfs/dbraw/zinc/10/15/91/563101591.db2.gz	KMWWTXMJXPAIBN-DOTOQJQBSA-N	0	0	431.836	2.713	1	5		IFBFRN
CCOC(=O)C1CCN(c2ncnc(Oc3cc(C(F)(F)F)nn3C)c2[N+](=O)[O-])CC1	ZINC000040873423	563109183	/nfs/dbraw/zinc/10/91/83/563109183.db2.gz	GZORJFSITDOUIP-UHFFFAOYSA-N	0	0	444.370	2.709	1	5		IFBFRN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc1cc(OC(C)=O)cc(OC(C)=O)c1c2=O	ZINC000040894394	563110262	/nfs/dbraw/zinc/11/02/62/563110262.db2.gz	BZNPMRZKTCPIHE-UHFFFAOYSA-N	0	0	428.349	2.647	1	5		IFBFRN
CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc([N+](=O)[O-])cc21	ZINC000049034195	563136147	/nfs/dbraw/zinc/13/61/47/563136147.db2.gz	CEYOGNPVZTXQNM-UHFFFAOYSA-N	0	0	426.458	2.865	1	5		IFBFRN
CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2cc([N+](=O)[O-])ccc21	ZINC000049036008	563136386	/nfs/dbraw/zinc/13/63/86/563136386.db2.gz	NMVXPJQDBNDMAO-UHFFFAOYSA-N	0	0	426.458	2.865	1	5		IFBFRN
CON(C)C(=O)C[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CN1C(=O)OC(C)(C)C	ZINC000061948192	563151563	/nfs/dbraw/zinc/15/15/63/563151563.db2.gz	FXOAOTQWJZRATD-HOTGVXAUSA-N	0	0	437.449	2.540	3	5		IFBFRN
O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000013144707	132345748	/nfs/dbraw/zinc/34/57/48/132345748.db2.gz	RTRWWRFAKXNNTO-KFVVBQDRSA-N	0	0	445.479	2.628	1	5		IFBFRN
COc1cc2ncnc(N3CCN(C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)c2cc1OC	ZINC000013474767	562988752	/nfs/dbraw/zinc/98/87/52/562988752.db2.gz	OFYUFSQNMMBLFL-UHFFFAOYSA-N	0	0	438.444	2.909	1	5		IFBFRN
COc1ccc([C@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	ZINC000026172118	563029429	/nfs/dbraw/zinc/02/94/29/563029429.db2.gz	QGJLKHPPBNNBCA-AZUAARDMSA-N	0	0	446.412	2.649	1	5		IFBFRN
CCO[C@H]1c2cc3c(cccc3[N+](=O)[O-])nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC	ZINC000027193152	563040397	/nfs/dbraw/zinc/04/03/97/563040397.db2.gz	SIFMTKFSJGQHQQ-UNMCSNQZSA-N	0	0	437.408	2.523	1	5		IFBFRN
CCO[C@@H]1c2cc3cccc([N+](=O)[O-])c3nc2-c2cc3c(c(=O)n21)COC(=O)[C@]3(O)CC	ZINC000027192870	563040451	/nfs/dbraw/zinc/04/04/51/563040451.db2.gz	DAJLWZOINRYWKC-IRLDBZIGSA-N	0	0	437.408	2.523	1	5		IFBFRN
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1	ZINC000027899098	563048274	/nfs/dbraw/zinc/04/82/74/563048274.db2.gz	WSXXHCOEOMLDDC-UHFFFAOYSA-N	0	0	443.504	2.551	1	5		IFBFRN
O=C([O-])c1cn(C2CC2)c2nc(N3CCC([NH+]4CCCCC4)CC3)c([N+](=O)[O-])cc2c1=O	ZINC000028868023	563067266	/nfs/dbraw/zinc/06/72/66/563067266.db2.gz	CLWLEYHKWKNXKB-UHFFFAOYSA-N	0	0	441.488	2.793	1	5		IFBFRN
CC(C)=C(C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)[C@H]1S(C)(=O)=O	ZINC000029254308	563077419	/nfs/dbraw/zinc/07/74/19/563077419.db2.gz	CWVIAJKEQSMTNW-VHUCWBOISA-N	0	0	436.486	2.827	1	5		IFBFRN
COC1=C(OCc2ccc([N+](=O)[O-])cc2)/C(=C\Cn2cnc3c2ncnc3Cl)OC1=O	ZINC000029468748	563080505	/nfs/dbraw/zinc/08/05/05/563080505.db2.gz	LBGPZAQEZYCCKM-AWNIVKPZSA-N	0	0	443.803	2.903	1	5		IFBFRN
O=C(Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12)c1ccncc1	ZINC000040412782	563101872	/nfs/dbraw/zinc/10/18/72/563101872.db2.gz	OYNKJPSYLFMTBG-UHFFFAOYSA-N	0	0	427.380	2.589	1	5		IFBFRN
CC(C)(C)OC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cn2)CC1	ZINC000040564965	563104794	/nfs/dbraw/zinc/10/47/94/563104794.db2.gz	XXSYNCSESBWKRD-UHFFFAOYSA-N	0	0	431.449	2.570	1	5		IFBFRN
CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1	ZINC000042920105	563116196	/nfs/dbraw/zinc/11/61/96/563116196.db2.gz	PDFSDYZOTUUNJY-AAKHDSTQSA-N	0	0	426.425	2.579	1	5		IFBFRN
COc1ccc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1[N+](=O)[O-]	ZINC000045253667	563126934	/nfs/dbraw/zinc/12/69/34/563126934.db2.gz	XSHPTQJFXLACMV-FQEVSTJZSA-N	0	0	431.401	2.868	1	5		IFBFRN
Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc(=O)n1Cc1ccc2c(c1)OCO2	ZINC000061906115	563148496	/nfs/dbraw/zinc/14/84/96/563148496.db2.gz	OMJBCZCNYVFYMW-UHFFFAOYSA-N	0	0	427.438	2.833	3	5		IFBFRN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](c1ncco1)c1ccc(OC(F)(F)F)cc1)C2	ZINC000072178899	563166398	/nfs/dbraw/zinc/16/63/98/563166398.db2.gz	IGZHXOGBMHNTJM-SMDDNHRTSA-N	0	0	425.323	2.818	1	5		IFBFRN
CCCN(C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1	ZINC000095605316	563193981	/nfs/dbraw/zinc/19/39/81/563193981.db2.gz	JTYDGZSJXQUHMI-UHFFFAOYSA-N	0	0	433.486	2.514	1	5		IFBFRN
CC(=O)Nc1ccc(NC[C@@H](O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1	ZINC000013581033	562994591	/nfs/dbraw/zinc/99/45/91/562994591.db2.gz	YUUHPNXUJUPSPB-MRXNPFEDSA-N	0	0	426.351	2.984	1	5		IFBFRN
COC(=O)C[C@@H]1c2ccc(Cl)cc2NC(=O)[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013833649	563011824	/nfs/dbraw/zinc/01/18/24/563011824.db2.gz	FXSFCIZZSPZFCD-PBHICJAKSA-N	0	0	438.845	2.690	1	5		IFBFRN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([N+](=O)[O-])cc2cc1[C@H]3CC(C)=O	ZINC000029390843	563078933	/nfs/dbraw/zinc/07/89/33/563078933.db2.gz	YBZJLYCOWDIGIK-JPYJTQIMSA-N	0	0	449.419	2.508	1	5		IFBFRN
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([N+](=O)[O-])cc2cc1[C@@H]3CC(C)=O	ZINC000029390846	563079016	/nfs/dbraw/zinc/07/90/16/563079016.db2.gz	YBZJLYCOWDIGIK-MBSDFSHPSA-N	0	0	449.419	2.508	1	5		IFBFRN
CC(=O)O[C@@H](c1ncc([N+](=O)[O-])n1C)[C@@H](OC(C)=O)c1ccc(Br)cc1	ZINC000040424242	563102867	/nfs/dbraw/zinc/10/28/67/563102867.db2.gz	QOMZZLNQZJXGGK-LSDHHAIUSA-N	0	0	426.223	2.999	1	5		IFBFRN
CN(C)c1ccccc1C(=O)OC[C@@]1(CO)C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1	ZINC000040891854	563109922	/nfs/dbraw/zinc/10/99/22/563109922.db2.gz	IPVIQFGGNFHDIO-GSTVHYHFSA-N	0	0	426.425	2.579	1	5		IFBFRN
CN(C)c1cccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)c1	ZINC000040893863	563110250	/nfs/dbraw/zinc/11/02/50/563110250.db2.gz	XXBDTXRLNOWZQH-IXNCKXOBSA-N	0	0	426.425	2.579	1	5		IFBFRN
CCOC(=O)C1CCN(c2ncnc(Oc3ccc(OCCOC)cc3)c2[N+](=O)[O-])CC1	ZINC000040980535	563115610	/nfs/dbraw/zinc/11/56/10/563115610.db2.gz	WJXYIQLAOGCMND-UHFFFAOYSA-N	0	0	446.460	2.982	1	5		IFBFRN
CCOC(=O)C1=C(C)NC(C=CC(=O)OC)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000049069086	563137582	/nfs/dbraw/zinc/13/75/82/563137582.db2.gz	NFZXRMVDNPOQBF-GNISGLHKSA-N	0	0	444.440	2.665	1	5		IFBFRN
Cn1c2cn(-c3cc(Cl)c([N+](=O)[O-])cc3O)c(-c3ccccc3)c2c(=O)n(C)c1=O	ZINC000072139465	563164382	/nfs/dbraw/zinc/16/43/82/563164382.db2.gz	KFDWJOIUUXZECO-UHFFFAOYSA-N	0	0	426.816	2.962	3	5		IFBFRN
CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)ccn1	ZINC000072175532	563165401	/nfs/dbraw/zinc/16/54/01/563165401.db2.gz	BHSSUIKSNGYDMT-UHFFFAOYSA-N	0	0	428.426	2.943	1	5		IFBFRN
CCNc1nnc(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)s1	ZINC000084617689	563174506	/nfs/dbraw/zinc/17/45/06/563174506.db2.gz	GNUDVCVLSQWNLP-UHFFFAOYSA-N	0	0	427.446	2.524	1	5		IFBFRN
COC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)N(C(=O)OC)N=C1c1cccc([N+](=O)[O-])c1	ZINC000096937993	563199750	/nfs/dbraw/zinc/19/97/50/563199750.db2.gz	QGSCENOUHKYGTJ-UHFFFAOYSA-N	0	0	442.344	2.677	1	5		IFBFRN
COc1cc2ncnc(N3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2cc1OC	ZINC000004393879	132271770	/nfs/dbraw/zinc/27/17/70/132271770.db2.gz	ZIFCMJKHIXABHJ-UHFFFAOYSA-N	0	0	438.444	2.909	1	5		IFBFRN
CC1=C(C(=O)OCCO[N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1	ZINC000031861383	563083593	/nfs/dbraw/zinc/08/35/93/563083593.db2.gz	HMBFMVGEQHJWAS-GOSISDBHSA-N	0	0	449.416	2.533	1	5		IFBFRN
CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1	ZINC000040394845	563100529	/nfs/dbraw/zinc/10/05/29/563100529.db2.gz	XJIZSZWEOKQXGN-IHSQGBLNSA-N	0	0	426.425	2.579	1	5		IFBFRN
CC(=O)O[C@H](c1ncc([N+](=O)[O-])n1C)[C@@H](OC(C)=O)c1ccc(Br)cc1	ZINC000040424240	563102890	/nfs/dbraw/zinc/10/28/90/563102890.db2.gz	QOMZZLNQZJXGGK-GJZGRUSLSA-N	0	0	426.223	2.999	1	5		IFBFRN
CN(C)c1ccccc1C(=O)OC[C@]1(CO)C/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O1	ZINC000040891860	563109904	/nfs/dbraw/zinc/10/99/04/563109904.db2.gz	FLMRTOQVDYLBOA-UPMCQBDUSA-N	0	0	426.425	2.579	1	5		IFBFRN
CCOC(=O)C1=C(C)NC(C=CC(=O)OC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000049069088	563137638	/nfs/dbraw/zinc/13/76/38/563137638.db2.gz	NFZXRMVDNPOQBF-VYENPZKTSA-N	0	0	444.440	2.665	1	5		IFBFRN
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1	ZINC000064436563	563152946	/nfs/dbraw/zinc/15/29/46/563152946.db2.gz	SJWDBKWBFHCWPA-GOSISDBHSA-N	0	0	431.861	2.903	1	5		IFBFRN
COc1ccc(-c2cn(-c3cc(OC)c(OC)c(OC)c3)nn2)c([N+](=O)[O-])c1[N+](=O)[O-]	ZINC000082150719	563173093	/nfs/dbraw/zinc/17/30/93/563173093.db2.gz	CUQKZXPLEQDWAW-UHFFFAOYSA-N	0	0	431.361	2.785	1	5		IFBFRN