smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(CN2CC[C@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164772205	721101891	/nfs/dbraw/zinc/10/18/91/721101891.db2.gz	UXSRHQZTODBKFC-LSDHHAIUSA-N	0	1	427.896	2.883	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888234	721401176	/nfs/dbraw/zinc/40/11/76/721401176.db2.gz	NRHVFKUVMQYLLK-NFBKMPQASA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890397	721408863	/nfs/dbraw/zinc/40/88/63/721408863.db2.gz	SLGKCKPRQHYLJD-WZONZLPQSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890219	721429238	/nfs/dbraw/zinc/42/92/38/721429238.db2.gz	CKHULRQKDBYRPV-REWPJTCUSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1	ZINC001165012513	721747651	/nfs/dbraw/zinc/74/76/51/721747651.db2.gz	JTWQXTHLTWBKLZ-UHFFFAOYSA-N	0	1	442.495	2.714	20	5		IFBDMN
COc1cccc(OC)c1CN1CCC(N(C)c2nc(OC)c([N+](=O)[O-])c(OC)n2)CC1	ZINC001165023311	721840967	/nfs/dbraw/zinc/84/09/67/721840967.db2.gz	UVRRBOVKVLBFPV-UHFFFAOYSA-N	0	1	447.492	2.520	20	5		IFBDMN
COc1nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc(OC)c1[N+](=O)[O-]	ZINC001164938971	721926003	/nfs/dbraw/zinc/92/60/03/721926003.db2.gz	FAVSWDBEPDCDGI-UHFFFAOYSA-N	0	1	443.504	2.582	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1	ZINC001164982760	722107748	/nfs/dbraw/zinc/10/77/48/722107748.db2.gz	OVHAEOOBJPWCQK-KBPBESRZSA-N	0	1	439.303	2.814	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741097	720679248	/nfs/dbraw/zinc/67/92/48/720679248.db2.gz	SRPDJJLDOLMORR-KGLIPLIRSA-N	0	1	426.864	2.928	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888236	721401352	/nfs/dbraw/zinc/40/13/52/721401352.db2.gz	NRHVFKUVMQYLLK-OFNKIYASSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892967	721407217	/nfs/dbraw/zinc/40/72/17/721407217.db2.gz	ZOYUREJDJNIVKN-XXBNENTESA-N	0	1	425.533	2.908	20	5		IFBDMN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1	ZINC001164908015	721586469	/nfs/dbraw/zinc/58/64/69/721586469.db2.gz	YBDJSRMMUHIPAE-FQEVSTJZSA-N	0	1	447.442	2.909	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164736899	720583732	/nfs/dbraw/zinc/58/37/32/720583732.db2.gz	VNNRTGLQRUJBGR-UHFFFAOYSA-N	0	1	445.833	2.912	20	5		IFBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164866035	721055763	/nfs/dbraw/zinc/05/57/63/721055763.db2.gz	BUTZGGUNYYTTMQ-ZIAGYGMSSA-N	0	1	436.925	2.635	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3C2)cn1	ZINC001164761691	721107516	/nfs/dbraw/zinc/10/75/16/721107516.db2.gz	AHFPKGLOBBHTNP-KGLIPLIRSA-N	0	1	426.855	2.880	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892965	721406623	/nfs/dbraw/zinc/40/66/23/721406623.db2.gz	ZOYUREJDJNIVKN-CVDCTZTESA-N	0	1	425.533	2.908	20	5		IFBDMN
COC(=O)c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164908410	721696929	/nfs/dbraw/zinc/69/69/29/721696929.db2.gz	YZHSKUYCZRYVJU-FQEVSTJZSA-N	0	1	447.442	2.909	20	5		IFBDMN
COC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904133	721709685	/nfs/dbraw/zinc/70/96/85/721709685.db2.gz	ADSVDXHEUIASEX-FQEVSTJZSA-N	0	1	447.442	2.909	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1	ZINC001164982762	722108012	/nfs/dbraw/zinc/10/80/12/722108012.db2.gz	OVHAEOOBJPWCQK-KGLIPLIRSA-N	0	1	439.303	2.814	20	5		IFBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164866032	721054981	/nfs/dbraw/zinc/05/49/81/721054981.db2.gz	BUTZGGUNYYTTMQ-KBPBESRZSA-N	0	1	436.925	2.635	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866273	721067091	/nfs/dbraw/zinc/06/70/91/721067091.db2.gz	DLEQIBDEQZKKJT-CHWSQXEVSA-N	0	1	425.276	2.566	20	5		IFBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164773163	721083063	/nfs/dbraw/zinc/08/30/63/721083063.db2.gz	WWJNMKVTBHSEPW-LSDHHAIUSA-N	0	1	448.911	2.512	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3C2)cn1	ZINC001164761057	721095916	/nfs/dbraw/zinc/09/59/16/721095916.db2.gz	ALRMNDSZBUZWDF-KBPBESRZSA-N	0	1	426.855	2.880	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164772204	721100295	/nfs/dbraw/zinc/10/02/95/721100295.db2.gz	UXSRHQZTODBKFC-HUUCEWRRSA-N	0	1	427.896	2.883	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164772203	721100819	/nfs/dbraw/zinc/10/08/19/721100819.db2.gz	UXSRHQZTODBKFC-GJZGRUSLSA-N	0	1	427.896	2.883	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888950	721405922	/nfs/dbraw/zinc/40/59/22/721405922.db2.gz	PSJKNWILRDAWKV-WZONZLPQSA-N	0	1	425.533	2.908	20	5		IFBDMN
CC(C)Oc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888878	721439478	/nfs/dbraw/zinc/43/94/78/721439478.db2.gz	BCURMLCFNNYFDK-PGRDOPGGSA-N	0	1	433.553	2.542	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889698	721450799	/nfs/dbraw/zinc/45/07/99/721450799.db2.gz	PIUMOTMWNBPEAH-REWPJTCUSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(Cc2cn3c(n2)CN(c2nc4ccccc4c(Cl)c2[N+](=O)[O-])CC3)CC1	ZINC001164794010	721512582	/nfs/dbraw/zinc/51/25/82/721512582.db2.gz	AWRJCSATFRKCNV-UHFFFAOYSA-N	0	1	441.923	2.761	20	5		IFBDMN
CCOC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164905960	721563688	/nfs/dbraw/zinc/56/36/88/721563688.db2.gz	IGGSZJYXGBVLSI-RDJZCZTQSA-N	0	1	430.436	2.648	20	5		IFBDMN
CCOC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164905956	721563757	/nfs/dbraw/zinc/56/37/57/721563757.db2.gz	IGGSZJYXGBVLSI-DOTOQJQBSA-N	0	1	430.436	2.648	20	5		IFBDMN
COc1cc(C)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164962313	722055398	/nfs/dbraw/zinc/05/53/98/722055398.db2.gz	CVNSEXUUGXXLBD-UHFFFAOYSA-N	0	1	427.505	2.821	20	5		IFBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164866033	721054351	/nfs/dbraw/zinc/05/43/51/721054351.db2.gz	BUTZGGUNYYTTMQ-KGLIPLIRSA-N	0	1	436.925	2.635	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]3C2)cn1	ZINC001164769310	721077996	/nfs/dbraw/zinc/07/79/96/721077996.db2.gz	OLFXHAGFPOPKDC-UONOGXRCSA-N	0	1	426.855	2.880	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3C2)cn1	ZINC001164761064	721096624	/nfs/dbraw/zinc/09/66/24/721096624.db2.gz	ALRMNDSZBUZWDF-ZIAGYGMSSA-N	0	1	426.855	2.880	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164768479	721203923	/nfs/dbraw/zinc/20/39/23/721203923.db2.gz	LEPWTJQBUIIJKV-NEPJUHHUSA-N	0	1	445.833	2.749	20	5		IFBDMN
CN1CCN(Cc2cn3c(n2)CN(c2cc4ccc(Cl)nc4cc2[N+](=O)[O-])CC3)CC1	ZINC001164796150	721522151	/nfs/dbraw/zinc/52/21/51/721522151.db2.gz	WNLLVJQEMXKOGP-UHFFFAOYSA-N	0	1	441.923	2.761	20	5		IFBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164734148	720551835	/nfs/dbraw/zinc/55/18/35/720551835.db2.gz	WFJMOTRDYGPADC-UHFFFAOYSA-N	0	1	448.911	2.675	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164768494	721204362	/nfs/dbraw/zinc/20/43/62/721204362.db2.gz	LEPWTJQBUIIJKV-VXGBXAGGSA-N	0	1	445.833	2.749	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888945	721405561	/nfs/dbraw/zinc/40/55/61/721405561.db2.gz	PSJKNWILRDAWKV-JPYJTQIMSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888943	721405966	/nfs/dbraw/zinc/40/59/66/721405966.db2.gz	PSJKNWILRDAWKV-FDDCHVKYSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890216	721429436	/nfs/dbraw/zinc/42/94/36/721429436.db2.gz	CKHULRQKDBYRPV-NFBKMPQASA-N	0	1	425.533	2.908	20	5		IFBDMN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1	ZINC001164908016	721586389	/nfs/dbraw/zinc/58/63/89/721586389.db2.gz	YBDJSRMMUHIPAE-HXUWFJFHSA-N	0	1	447.442	2.909	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982764	722107850	/nfs/dbraw/zinc/10/78/50/722107850.db2.gz	OVHAEOOBJPWCQK-ZIAGYGMSSA-N	0	1	439.303	2.814	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3C2)cn1	ZINC001164761693	721106701	/nfs/dbraw/zinc/10/67/01/721106701.db2.gz	AHFPKGLOBBHTNP-ZIAGYGMSSA-N	0	1	426.855	2.880	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3C2)cn1	ZINC001164761690	721107119	/nfs/dbraw/zinc/10/71/19/721107119.db2.gz	AHFPKGLOBBHTNP-KBPBESRZSA-N	0	1	426.855	2.880	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890395	721408721	/nfs/dbraw/zinc/40/87/21/721408721.db2.gz	SLGKCKPRQHYLJD-MBSDFSHPSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890217	721429031	/nfs/dbraw/zinc/42/90/31/721429031.db2.gz	CKHULRQKDBYRPV-NZQKXSOJSA-N	0	1	425.533	2.908	20	5		IFBDMN
CC(C)Oc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888881	721439672	/nfs/dbraw/zinc/43/96/72/721439672.db2.gz	BCURMLCFNNYFDK-XMSQKQJNSA-N	0	1	433.553	2.542	20	5		IFBDMN
CC(C)Oc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888873	721439810	/nfs/dbraw/zinc/43/98/10/721439810.db2.gz	BCURMLCFNNYFDK-GCJKJVERSA-N	0	1	433.553	2.542	20	5		IFBDMN
CN1CCN(Cc2cn3c(n2)CN(c2ccc([N+](=O)[O-])c(-c4ccccc4)n2)CC3)CC1	ZINC001164794852	721521873	/nfs/dbraw/zinc/52/18/73/721521873.db2.gz	IOBIMWZURWVPHF-UHFFFAOYSA-N	0	1	433.516	2.621	20	5		IFBDMN
COc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1	ZINC001164907411	721703420	/nfs/dbraw/zinc/70/34/20/721703420.db2.gz	RPPMMFGYKVPDLZ-LJQANCHMSA-N	0	1	434.447	2.835	20	5		IFBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1	ZINC001165010101	721734129	/nfs/dbraw/zinc/73/41/29/721734129.db2.gz	AFVGJSPMXFVHRW-UHFFFAOYSA-N	0	1	432.912	2.714	20	5		IFBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1	ZINC001165012667	721750562	/nfs/dbraw/zinc/75/05/62/721750562.db2.gz	LXFJYASWKMBALP-UHFFFAOYSA-N	0	1	432.912	2.714	20	5		IFBDMN
COC(=O)c1cnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c([N+](=O)[O-])c1	ZINC001164941034	721923769	/nfs/dbraw/zinc/92/37/69/721923769.db2.gz	ZDDIBMHFGGABPC-UHFFFAOYSA-N	0	1	440.500	2.956	20	5		IFBDMN
COc1nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164693733	719808398	/nfs/dbraw/zinc/80/83/98/719808398.db2.gz	QXOQKYMXEDGUJF-UHFFFAOYSA-N	0	1	434.522	2.802	20	5		IFBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1	ZINC001164773154	721083386	/nfs/dbraw/zinc/08/33/86/721083386.db2.gz	WWJNMKVTBHSEPW-CABCVRRESA-N	0	1	448.911	2.512	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3C2)cn1	ZINC001164761059	721095534	/nfs/dbraw/zinc/09/55/34/721095534.db2.gz	ALRMNDSZBUZWDF-KGLIPLIRSA-N	0	1	426.855	2.880	20	5		IFBDMN
CSc1nc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164863857	721097523	/nfs/dbraw/zinc/09/75/23/721097523.db2.gz	DHVCAEDOYOJIQG-UONOGXRCSA-N	0	1	436.925	2.635	20	5		IFBDMN
CCOC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164905961	721563127	/nfs/dbraw/zinc/56/31/27/721563127.db2.gz	IGGSZJYXGBVLSI-WBVHZDCISA-N	0	1	430.436	2.648	20	5		IFBDMN
O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000072173384	563165209	/nfs/dbraw/zinc/16/52/09/563165209.db2.gz	YUOLESGAMDOQTL-UHFFFAOYSA-N	0	1	434.500	2.927	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]3C2)cn1	ZINC001164769316	721077447	/nfs/dbraw/zinc/07/74/47/721077447.db2.gz	OLFXHAGFPOPKDC-ZIAGYGMSSA-N	0	1	426.855	2.880	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3C2)cn1	ZINC001164761061	721095617	/nfs/dbraw/zinc/09/56/17/721095617.db2.gz	ALRMNDSZBUZWDF-UONOGXRCSA-N	0	1	426.855	2.880	20	5		IFBDMN
CSc1nc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164863832	721098021	/nfs/dbraw/zinc/09/80/21/721098021.db2.gz	DHVCAEDOYOJIQG-KBPBESRZSA-N	0	1	436.925	2.635	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164772202	721101545	/nfs/dbraw/zinc/10/15/45/721101545.db2.gz	UXSRHQZTODBKFC-CABCVRRESA-N	0	1	427.896	2.883	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164768489	721203788	/nfs/dbraw/zinc/20/37/88/721203788.db2.gz	LEPWTJQBUIIJKV-RYUDHWBXSA-N	0	1	445.833	2.749	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890218	721429577	/nfs/dbraw/zinc/42/95/77/721429577.db2.gz	CKHULRQKDBYRPV-OFNKIYASSA-N	0	1	425.533	2.908	20	5		IFBDMN
CCOC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164905958	721563701	/nfs/dbraw/zinc/56/37/01/721563701.db2.gz	IGGSZJYXGBVLSI-NVXWUHKLSA-N	0	1	430.436	2.648	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888235	721401478	/nfs/dbraw/zinc/40/14/78/721401478.db2.gz	NRHVFKUVMQYLLK-NZQKXSOJSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888948	721405607	/nfs/dbraw/zinc/40/56/07/721405607.db2.gz	PSJKNWILRDAWKV-MBSDFSHPSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4ccc([N+](=O)[O-])cc42)CC3)CC1	ZINC001164796773	721519465	/nfs/dbraw/zinc/51/94/65/721519465.db2.gz	CGAZVPYKWZYKMA-UHFFFAOYSA-N	0	1	441.923	2.761	20	5		IFBDMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1	ZINC001164909686	721738782	/nfs/dbraw/zinc/73/87/82/721738782.db2.gz	CYZJIRACGWQZEF-FQEVSTJZSA-N	0	1	447.442	2.909	20	5		IFBDMN
Cc1cc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001165011624	721747071	/nfs/dbraw/zinc/74/70/71/721747071.db2.gz	ZSRBFLNKZPOANX-UHFFFAOYSA-N	0	1	438.532	2.883	20	5		IFBDMN
COC(=O)c1cc([N+](=O)[O-])cnc1N(C)C1CCN(Cc2c(OC)cccc2OC)CC1	ZINC001165020347	721838454	/nfs/dbraw/zinc/83/84/54/721838454.db2.gz	IIUKGMKBWSXBNB-UHFFFAOYSA-N	0	1	444.488	2.894	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3C2)cn1	ZINC001164769299	721077616	/nfs/dbraw/zinc/07/76/16/721077616.db2.gz	OLFXHAGFPOPKDC-KBPBESRZSA-N	0	1	426.855	2.880	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890392	721407973	/nfs/dbraw/zinc/40/79/73/721407973.db2.gz	SLGKCKPRQHYLJD-JPYJTQIMSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889696	721451013	/nfs/dbraw/zinc/45/10/13/721451013.db2.gz	PIUMOTMWNBPEAH-NZQKXSOJSA-N	0	1	425.533	2.908	20	5		IFBDMN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1	ZINC001164959627	722053437	/nfs/dbraw/zinc/05/34/37/722053437.db2.gz	NJMPJABXUCXMPG-UHFFFAOYSA-N	0	1	432.912	2.861	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866274	721067315	/nfs/dbraw/zinc/06/73/15/721067315.db2.gz	DLEQIBDEQZKKJT-OLZOCXBDSA-N	0	1	425.276	2.566	20	5		IFBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1	ZINC001164773159	721083146	/nfs/dbraw/zinc/08/31/46/721083146.db2.gz	WWJNMKVTBHSEPW-GJZGRUSLSA-N	0	1	448.911	2.512	20	5		IFBDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ccc4ccc5cccnc5c4n3)CC2)C1	ZINC001164869862	721267305	/nfs/dbraw/zinc/26/73/05/721267305.db2.gz	QXEKSEPRFCMAAU-UHFFFAOYSA-N	0	1	433.556	2.790	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889695	721450868	/nfs/dbraw/zinc/45/08/68/721450868.db2.gz	PIUMOTMWNBPEAH-NFBKMPQASA-N	0	1	425.533	2.908	20	5		IFBDMN
COc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1	ZINC001164907407	721704311	/nfs/dbraw/zinc/70/43/11/721704311.db2.gz	RPPMMFGYKVPDLZ-IBGZPJMESA-N	0	1	434.447	2.835	20	5		IFBDMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1	ZINC001164909689	721738028	/nfs/dbraw/zinc/73/80/28/721738028.db2.gz	CYZJIRACGWQZEF-HXUWFJFHSA-N	0	1	447.442	2.909	20	5		IFBDMN
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1	ZINC001164940522	721925787	/nfs/dbraw/zinc/92/57/87/721925787.db2.gz	SNSLHTCJKZKANH-UHFFFAOYSA-N	0	1	427.505	2.882	20	5		IFBDMN
COC(=O)c1ccnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-]	ZINC001164941040	721927326	/nfs/dbraw/zinc/92/73/26/721927326.db2.gz	ZKEPYIBDLSMJCF-UHFFFAOYSA-N	0	1	440.500	2.956	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982763	722107913	/nfs/dbraw/zinc/10/79/13/722107913.db2.gz	OVHAEOOBJPWCQK-UONOGXRCSA-N	0	1	439.303	2.814	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741096	720679952	/nfs/dbraw/zinc/67/99/52/720679952.db2.gz	SRPDJJLDOLMORR-KBPBESRZSA-N	0	1	426.864	2.928	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866276	721067410	/nfs/dbraw/zinc/06/74/10/721067410.db2.gz	DLEQIBDEQZKKJT-STQMWFEESA-N	0	1	425.276	2.566	20	5		IFBDMN
Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3C2)cn1	ZINC001164769304	721077857	/nfs/dbraw/zinc/07/78/57/721077857.db2.gz	OLFXHAGFPOPKDC-KGLIPLIRSA-N	0	1	426.855	2.880	20	5		IFBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164773161	721083083	/nfs/dbraw/zinc/08/30/83/721083083.db2.gz	WWJNMKVTBHSEPW-HUUCEWRRSA-N	0	1	448.911	2.512	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3C2)cn1	ZINC001164761692	721107187	/nfs/dbraw/zinc/10/71/87/721107187.db2.gz	AHFPKGLOBBHTNP-UONOGXRCSA-N	0	1	426.855	2.880	20	5		IFBDMN
CCOc1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ccc1[N+](=O)[O-]	ZINC001164962329	722058425	/nfs/dbraw/zinc/05/84/25/722058425.db2.gz	QYLBZMLPUVLTKD-UHFFFAOYSA-N	0	1	427.505	2.903	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741099	720678148	/nfs/dbraw/zinc/67/81/48/720678148.db2.gz	SRPDJJLDOLMORR-UONOGXRCSA-N	0	1	426.864	2.928	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741100	720678284	/nfs/dbraw/zinc/67/82/84/720678284.db2.gz	SRPDJJLDOLMORR-ZIAGYGMSSA-N	0	1	426.864	2.928	20	5		IFBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164866034	721056300	/nfs/dbraw/zinc/05/63/00/721056300.db2.gz	BUTZGGUNYYTTMQ-UONOGXRCSA-N	0	1	436.925	2.635	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890388	721408156	/nfs/dbraw/zinc/40/81/56/721408156.db2.gz	SLGKCKPRQHYLJD-FDDCHVKYSA-N	0	1	425.533	2.908	20	5		IFBDMN
CC(C)Oc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888870	721439973	/nfs/dbraw/zinc/43/99/73/721439973.db2.gz	BCURMLCFNNYFDK-AVRDEDQJSA-N	0	1	433.553	2.542	20	5		IFBDMN
Cc1nc(Cl)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164960537	722052448	/nfs/dbraw/zinc/05/24/48/722052448.db2.gz	RPSXHHWPDPQWOX-UHFFFAOYSA-N	0	1	432.912	2.861	20	5		IFBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866275	721067613	/nfs/dbraw/zinc/06/76/13/721067613.db2.gz	DLEQIBDEQZKKJT-QWHCGFSZSA-N	0	1	425.276	2.566	20	5		IFBDMN
CSc1nc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164863865	721097604	/nfs/dbraw/zinc/09/76/04/721097604.db2.gz	DHVCAEDOYOJIQG-ZIAGYGMSSA-N	0	1	436.925	2.635	20	5		IFBDMN
Cn1cc(CN2CC[C@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164768484	721204072	/nfs/dbraw/zinc/20/40/72/721204072.db2.gz	LEPWTJQBUIIJKV-NWDGAFQWSA-N	0	1	445.833	2.749	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888239	721401214	/nfs/dbraw/zinc/40/12/14/721401214.db2.gz	NRHVFKUVMQYLLK-REWPJTCUSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889697	721451239	/nfs/dbraw/zinc/45/12/39/721451239.db2.gz	PIUMOTMWNBPEAH-OFNKIYASSA-N	0	1	425.533	2.908	20	5		IFBDMN
COC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904137	721709305	/nfs/dbraw/zinc/70/93/05/721709305.db2.gz	ADSVDXHEUIASEX-HXUWFJFHSA-N	0	1	447.442	2.909	20	5		IFBDMN
COc1cccc(OC)c1CN1CCC(N(C)c2nc(OC)nc(C)c2[N+](=O)[O-])CC1	ZINC001165021322	721841315	/nfs/dbraw/zinc/84/13/15/721841315.db2.gz	LMCFQOICSWERJQ-UHFFFAOYSA-N	0	1	431.493	2.820	20	5		IFBDMN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CN(Cc1ccc(C)cc1)CCO2	ZINC001164940353	721922048	/nfs/dbraw/zinc/92/20/48/721922048.db2.gz	ZLAQKCOELJZXOP-UHFFFAOYSA-N	0	1	440.500	2.956	20	5		IFBDMN
CSc1nc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164863844	721097471	/nfs/dbraw/zinc/09/74/71/721097471.db2.gz	DHVCAEDOYOJIQG-KGLIPLIRSA-N	0	1	436.925	2.635	20	5		IFBDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892966	721406745	/nfs/dbraw/zinc/40/67/45/721406745.db2.gz	ZOYUREJDJNIVKN-WMZHIEFXSA-N	0	1	425.533	2.908	20	5		IFBDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892964	721407032	/nfs/dbraw/zinc/40/70/32/721407032.db2.gz	ZOYUREJDJNIVKN-AUSIDOKSSA-N	0	1	425.533	2.908	20	5		IFBDMN
COC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164908412	721696842	/nfs/dbraw/zinc/69/68/42/721696842.db2.gz	YZHSKUYCZRYVJU-HXUWFJFHSA-N	0	1	447.442	2.909	20	5		IFBDMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1	ZINC001164945221	721933546	/nfs/dbraw/zinc/93/35/46/721933546.db2.gz	VFZRYNIHWIKNIF-UHFFFAOYSA-N	0	1	440.500	2.956	20	5		IFBDMN