smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164683715 719727893 /nfs/dbraw/zinc/72/78/93/719727893.db2.gz CYNXZCDJBANWNZ-UHFFFAOYSA-N 1 0 405.455 1.347 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC001164813072 720095249 /nfs/dbraw/zinc/09/52/49/720095249.db2.gz SCBQZAWCZMLKLB-UZLBHIALSA-N 1 0 404.467 1.961 20 5 HDBDRO Cn1nnc2c1CCN(c1ncc(F)cc1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164711344 720172700 /nfs/dbraw/zinc/17/27/00/720172700.db2.gz BAEUJOCQYGKESM-MRXNPFEDSA-N 1 0 405.434 1.474 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC001164814661 720202018 /nfs/dbraw/zinc/20/20/18/720202018.db2.gz VVSIOPQFJKQGJN-QRWLVFNGSA-N 1 0 404.467 1.961 20 5 HDBDRO CCOC(=O)c1nc(Cl)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164733206 720506844 /nfs/dbraw/zinc/50/68/44/720506844.db2.gz YJUFOGWHRFAXLJ-NSHDSACASA-N 1 0 423.861 1.609 20 5 HDBDRO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738503 720825674 /nfs/dbraw/zinc/82/56/74/720825674.db2.gz GEJSOCQMBPIAHE-JFIYKMOQSA-N 1 0 413.482 1.969 20 5 HDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164761919 721231429 /nfs/dbraw/zinc/23/14/29/721231429.db2.gz KIMIQATWXVMZNK-HOTGVXAUSA-N 1 0 414.466 1.858 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164760519 721244427 /nfs/dbraw/zinc/24/44/27/721244427.db2.gz FMNQUCXHYKWFNQ-CABCVRRESA-N 1 0 400.439 1.468 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC001164875848 721262482 /nfs/dbraw/zinc/26/24/82/721262482.db2.gz MMMDUZPQNYKYJW-UHFFFAOYSA-N 1 0 411.890 1.650 20 5 HDBDRO COc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164889354 721380003 /nfs/dbraw/zinc/38/00/03/721380003.db2.gz LTBSANMYHVYFKA-HNAYVOBHSA-N 1 0 406.487 1.159 20 5 HDBDRO COc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164889356 721380179 /nfs/dbraw/zinc/38/01/79/721380179.db2.gz LTBSANMYHVYFKA-KXBFYZLASA-N 1 0 406.487 1.159 20 5 HDBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164785934 721450721 /nfs/dbraw/zinc/45/07/21/721450721.db2.gz IVCFWCLKXXCTOY-LJQANCHMSA-N 1 0 420.510 1.962 20 5 HDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CCC2 ZINC001165002651 722254135 /nfs/dbraw/zinc/25/41/35/722254135.db2.gz RWYMICZMFOVCQO-UHFFFAOYSA-N 1 0 410.862 1.567 20 5 HDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000489811465 1073593414 /nfs/dbraw/zinc/59/34/14/1073593414.db2.gz YPKMZFWIDQVDMI-UONOGXRCSA-N 1 0 409.512 1.997 20 5 HDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000056070254 1073640279 /nfs/dbraw/zinc/64/02/79/1073640279.db2.gz PBZZAWSDBXWPTM-UHFFFAOYSA-N 1 0 405.480 1.529 20 5 HDBDRO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000509134099 1073685022 /nfs/dbraw/zinc/68/50/22/1073685022.db2.gz APQHUMVXLMPQIT-UHFFFAOYSA-N 1 0 409.512 1.833 20 5 HDBDRO C[NH+](C)CC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000466575312 1073996540 /nfs/dbraw/zinc/99/65/40/1073996540.db2.gz RKCFPQXLTAOKEE-OAHLLOKOSA-N 1 0 424.523 1.596 20 5 HDBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000731885791 1075555217 /nfs/dbraw/zinc/55/52/17/1075555217.db2.gz VVZXXKKSMWPHJL-UHFFFAOYSA-N 1 0 405.499 1.141 20 5 HDBDRO Nc1nccc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000548059870 1075708329 /nfs/dbraw/zinc/70/83/29/1075708329.db2.gz MZLTUUPTZLXYHV-UHFFFAOYSA-N 1 0 412.494 1.900 20 5 HDBDRO C[NH+]1CCC(n2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n2)CC1 ZINC000563818646 1075783139 /nfs/dbraw/zinc/78/31/39/1075783139.db2.gz JNKXBYIENGZCET-UHFFFAOYSA-N 1 0 414.470 1.807 20 5 HDBDRO COC(=O)[C@H](C)NC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611165790 1075865680 /nfs/dbraw/zinc/86/56/80/1075865680.db2.gz OKOSLDLLHQBEKW-XJKSGUPXSA-N 1 0 420.466 1.551 20 5 HDBDRO COc1cc(OCC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000611177011 1075869515 /nfs/dbraw/zinc/86/95/15/1075869515.db2.gz WYAFUPUAKXXTKF-UHFFFAOYSA-N 1 0 420.510 1.999 20 5 HDBDRO CCOc1ccc(NC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244282 1075884543 /nfs/dbraw/zinc/88/45/43/1075884543.db2.gz NSJVTTGYCWXDAH-QGZVFWFLSA-N 1 0 419.482 1.346 20 5 HDBDRO Cc1cc(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(N)c([N+](=O)[O-])c1 ZINC000727899773 1076278507 /nfs/dbraw/zinc/27/85/07/1076278507.db2.gz MDYALQHKKHVXKS-AWEZNQCLSA-N 1 0 408.455 1.115 20 5 HDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(OC)nc(C)c3[N+](=O)[O-])CC2)CC1 ZINC001164617004 719026721 /nfs/dbraw/zinc/02/67/21/719026721.db2.gz ICGQSFUECMLUMO-UHFFFAOYSA-N 1 0 407.471 1.946 20 5 HDBDRO COc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164820864 720287320 /nfs/dbraw/zinc/28/73/20/720287320.db2.gz YJCLSLHTBWRZPP-HUUCEWRRSA-N 1 0 404.471 1.305 20 5 HDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164825102 720290707 /nfs/dbraw/zinc/29/07/07/720290707.db2.gz SJMUULMDYZKSFA-ZIAGYGMSSA-N 1 0 408.890 1.950 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164833313 720318698 /nfs/dbraw/zinc/31/86/98/720318698.db2.gz VWZCFEIARROEPD-JKSUJKDBSA-N 1 0 418.498 1.613 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836301 720544657 /nfs/dbraw/zinc/54/46/57/720544657.db2.gz JKPVXPRNQHYGLZ-OWCLPIDISA-N 1 0 401.471 1.968 20 5 HDBDRO COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164736888 720701358 /nfs/dbraw/zinc/70/13/58/720701358.db2.gz CCANXTIHMBLNFA-KBPBESRZSA-N 1 0 423.433 1.679 20 5 HDBDRO COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164736890 720702134 /nfs/dbraw/zinc/70/21/34/720702134.db2.gz CCANXTIHMBLNFA-KGLIPLIRSA-N 1 0 423.433 1.679 20 5 HDBDRO CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164738406 720709883 /nfs/dbraw/zinc/70/98/83/720709883.db2.gz JIDLYCWEPUFSPG-QWRGUYRKSA-N 1 0 423.886 1.892 20 5 HDBDRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164866050 721069619 /nfs/dbraw/zinc/06/96/19/721069619.db2.gz CCTMLKSTYFYTBV-IAGOWNOFSA-N 1 0 413.434 1.651 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866758 721191293 /nfs/dbraw/zinc/19/12/93/721191293.db2.gz CPNBVCPHJCVLPN-CVEARBPZSA-N 1 0 413.434 1.651 20 5 HDBDRO CCOC(=O)c1ccnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164761920 721230162 /nfs/dbraw/zinc/23/01/62/721230162.db2.gz KIMIQATWXVMZNK-HZPDHXFCSA-N 1 0 414.466 1.858 20 5 HDBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886785 721397466 /nfs/dbraw/zinc/39/74/66/721397466.db2.gz GGUJVCQGTJIZCB-VQIMIIECSA-N 1 0 420.470 1.663 20 5 HDBDRO COc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164884459 721404238 /nfs/dbraw/zinc/40/42/38/721404238.db2.gz DFBJQQIUZXSIRR-OXJNMPFZSA-N 1 0 405.499 1.764 20 5 HDBDRO COc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164889483 721407173 /nfs/dbraw/zinc/40/71/73/721407173.db2.gz QZLCEUCHDFAPFP-UZLBHIALSA-N 1 0 405.499 1.764 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884570 721410975 /nfs/dbraw/zinc/41/09/75/721410975.db2.gz DXBAPJNFTKDJNH-OXJNMPFZSA-N 1 0 420.514 1.467 20 5 HDBDRO COc1cc(C)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1[N+](=O)[O-] ZINC001164794306 721512341 /nfs/dbraw/zinc/51/23/41/721512341.db2.gz NKRRDVLTBRMTNE-UHFFFAOYSA-N 1 0 401.471 1.271 20 5 HDBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164925397 721850060 /nfs/dbraw/zinc/85/00/60/721850060.db2.gz FEOJSMBDJZWTAP-NEPJUHHUSA-N 1 0 412.878 1.430 20 5 HDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC000555900113 1073578857 /nfs/dbraw/zinc/57/88/57/1073578857.db2.gz GTSQOIVBZVPUPT-INIZCTEOSA-N 1 0 404.423 1.219 20 5 HDBDRO COC(=O)c1cc(C)nc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000553377577 1074807369 /nfs/dbraw/zinc/80/73/69/1074807369.db2.gz JKSKGQRGIRLALH-UHFFFAOYSA-N 1 0 415.450 1.988 20 5 HDBDRO COc1cc[nH+]c(N2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)c1 ZINC000731632412 1075422303 /nfs/dbraw/zinc/42/23/03/1075422303.db2.gz JKHQQWSFKWBRJX-UHFFFAOYSA-N 1 0 400.391 1.539 20 5 HDBDRO CCn1cc(S(=O)(=O)N2CCC(OCC[NH+](CC)CC)CC2)c([N+](=O)[O-])n1 ZINC000611106631 1075839218 /nfs/dbraw/zinc/83/92/18/1075839218.db2.gz MYEDIXOMTRMSAI-UHFFFAOYSA-N 1 0 403.505 1.323 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)CC1 ZINC000611166112 1075865233 /nfs/dbraw/zinc/86/52/33/1075865233.db2.gz HBKRRYVWRLWPRZ-UHFFFAOYSA-N 1 0 411.528 1.237 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000611167761 1075866353 /nfs/dbraw/zinc/86/63/53/1075866353.db2.gz SNOJMDPGGKNPDN-UHFFFAOYSA-N 1 0 410.540 1.915 20 5 HDBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000611248392 1075886684 /nfs/dbraw/zinc/88/66/84/1075886684.db2.gz NSWLCSSSVRARDG-AWEZNQCLSA-N 1 0 400.501 1.221 20 5 HDBDRO C[C@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000732956733 1075931395 /nfs/dbraw/zinc/93/13/95/1075931395.db2.gz HDWNYVMLSVSTLV-CRAIPNDOSA-N 1 0 424.523 1.739 20 5 HDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000611475224 1075943316 /nfs/dbraw/zinc/94/33/16/1075943316.db2.gz DZRRZBFIVBFITQ-IGCXYCKISA-N 1 0 400.439 1.829 20 5 HDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000611475281 1075943345 /nfs/dbraw/zinc/94/33/45/1075943345.db2.gz KDPFOCDZBVIQKE-VPZZIHKRSA-N 1 0 403.439 1.622 20 5 HDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611513406 1075952552 /nfs/dbraw/zinc/95/25/52/1075952552.db2.gz YCXQRCXWONOSGU-CQSZACIVSA-N 1 0 412.393 1.751 20 5 HDBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611519538 1075953562 /nfs/dbraw/zinc/95/35/62/1075953562.db2.gz XDTUXJGCTOYHCW-HXUWFJFHSA-N 1 0 418.519 1.851 20 5 HDBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000733156782 1075989592 /nfs/dbraw/zinc/98/95/92/1075989592.db2.gz OWYIVOSMOBHSQQ-HXUWFJFHSA-N 1 0 419.526 1.433 20 5 HDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000733882518 1076237974 /nfs/dbraw/zinc/23/79/74/1076237974.db2.gz QPRFBWSFUJGAOF-INIZCTEOSA-N 1 0 405.499 1.045 20 5 HDBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733882499 1076238135 /nfs/dbraw/zinc/23/81/35/1076238135.db2.gz PYNICGNOIHEJMF-UHFFFAOYSA-N 1 0 419.526 1.579 20 5 HDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCOc2cccnc2)c([N+](=O)[O-])c1 ZINC000733993325 1076286185 /nfs/dbraw/zinc/28/61/85/1076286185.db2.gz LOIXMEJQIQGXNC-UHFFFAOYSA-N 1 0 409.468 1.321 20 5 HDBDRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728077724 1076334355 /nfs/dbraw/zinc/33/43/55/1076334355.db2.gz MEJSLGCITUPYLA-ZDUSSCGKSA-N 1 0 407.427 1.437 20 5 HDBDRO CCOC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC001164689884 719750730 /nfs/dbraw/zinc/75/07/30/719750730.db2.gz NQGHLKDDFJHECU-UHFFFAOYSA-N 1 0 405.455 1.347 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C2 ZINC001164809606 720113541 /nfs/dbraw/zinc/11/35/41/720113541.db2.gz HMYGKLNRBONGEK-LIRRHRJNSA-N 1 0 407.471 1.587 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C2 ZINC001164807337 720127965 /nfs/dbraw/zinc/12/79/65/720127965.db2.gz BYXWZQBQHITMJY-FOIQADDNSA-N 1 0 404.467 1.961 20 5 HDBDRO COc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001164712877 720172986 /nfs/dbraw/zinc/17/29/86/720172986.db2.gz HDUDYPPIRIDHHI-MRXNPFEDSA-N 1 0 417.470 1.343 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC001164814659 720201904 /nfs/dbraw/zinc/20/19/04/720201904.db2.gz VVSIOPQFJKQGJN-FOIQADDNSA-N 1 0 404.467 1.961 20 5 HDBDRO COc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164868962 721269808 /nfs/dbraw/zinc/26/98/08/721269808.db2.gz HGYPSBXYKJPTES-UHFFFAOYSA-N 1 0 407.471 1.005 20 5 HDBDRO COc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164889482 721406747 /nfs/dbraw/zinc/40/67/47/721406747.db2.gz QZLCEUCHDFAPFP-OXQOHEQNSA-N 1 0 405.499 1.764 20 5 HDBDRO COc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164889480 721406881 /nfs/dbraw/zinc/40/68/81/721406881.db2.gz QZLCEUCHDFAPFP-JXFKEZNVSA-N 1 0 405.499 1.764 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)c2)C1 ZINC000302017418 1073580359 /nfs/dbraw/zinc/58/03/59/1073580359.db2.gz ZADYAWDHMSNYLN-MRXNPFEDSA-N 1 0 409.450 1.947 20 5 HDBDRO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C[NH+]1CCN(C)CC1 ZINC000303501529 1073744115 /nfs/dbraw/zinc/74/41/15/1073744115.db2.gz APNWRIVCBMDQIN-QGZVFWFLSA-N 1 0 403.527 1.811 20 5 HDBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc2c[nH+]cn2c1 ZINC001626097556 1074102220 /nfs/dbraw/zinc/10/22/20/1074102220.db2.gz QBJYPMUVBBQZCU-UHFFFAOYSA-N 1 0 403.420 1.227 20 5 HDBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000059407969 1074151332 /nfs/dbraw/zinc/15/13/32/1074151332.db2.gz RUTDIVDJYUZDNI-UHFFFAOYSA-N 1 0 413.478 1.393 20 5 HDBDRO COc1cc(CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)c([N+](=O)[O-])cc1F ZINC000766068202 1074564393 /nfs/dbraw/zinc/56/43/93/1074564393.db2.gz ALWYYLOKOZBISK-UHFFFAOYSA-N 1 0 407.402 1.739 20 5 HDBDRO O=C(c1ccoc1)N1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000543620631 1075096708 /nfs/dbraw/zinc/09/67/08/1075096708.db2.gz GCAKFDBNPBDWCA-UHFFFAOYSA-N 1 0 407.448 1.856 20 5 HDBDRO CN1CC[NH+](CC2CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000732105631 1075633831 /nfs/dbraw/zinc/63/38/31/1075633831.db2.gz BUCBYSBYMQOLSH-UHFFFAOYSA-N 1 0 400.483 1.431 20 5 HDBDRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000804240275 1075796178 /nfs/dbraw/zinc/79/61/78/1075796178.db2.gz VXUQTGOFABFQRQ-UHFFFAOYSA-N 1 0 417.510 1.480 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088094 1075832171 /nfs/dbraw/zinc/83/21/71/1075832171.db2.gz CJIBZRDTSVDCSE-YOEHRIQHSA-N 1 0 408.524 1.999 20 5 HDBDRO Cn1cc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611156970 1075860234 /nfs/dbraw/zinc/86/02/34/1075860234.db2.gz MVXCYUHHMJBFIF-UHFFFAOYSA-N 1 0 401.467 1.914 20 5 HDBDRO O=C(C[NH+]1CCC2(CC2)CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611177409 1075870195 /nfs/dbraw/zinc/87/01/95/1075870195.db2.gz JBDONIJXOHEBHG-UHFFFAOYSA-N 1 0 422.507 1.304 20 5 HDBDRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C[C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000611235234 1075881182 /nfs/dbraw/zinc/88/11/82/1075881182.db2.gz UUWIAMMZXINHTA-HNNXBMFYSA-N 1 0 414.528 1.376 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000611244217 1075885446 /nfs/dbraw/zinc/88/54/46/1075885446.db2.gz JUJQOHHGAFNKJL-ROUUACIJSA-N 1 0 401.467 1.114 20 5 HDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000611475217 1075943382 /nfs/dbraw/zinc/94/33/82/1075943382.db2.gz DVXAIJYQQODCFY-QHRIQVFBSA-N 1 0 403.439 1.622 20 5 HDBDRO COc1ccc(S(=O)(=O)N2CCN(CC[NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000611481189 1075945533 /nfs/dbraw/zinc/94/55/33/1075945533.db2.gz WELULIRDTKKKQS-UHFFFAOYSA-N 1 0 412.512 1.396 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733158435 1075991481 /nfs/dbraw/zinc/99/14/81/1075991481.db2.gz MXKBADLCCXOPAN-MRXNPFEDSA-N 1 0 421.450 1.554 20 5 HDBDRO CO[C@@H](CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C(F)(F)F ZINC000733302974 1076033719 /nfs/dbraw/zinc/03/37/19/1076033719.db2.gz AGPZCINAQZFNAI-ZDUSSCGKSA-N 1 0 414.406 1.424 20 5 HDBDRO C[NH+](C)CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000733367531 1076055396 /nfs/dbraw/zinc/05/53/96/1076055396.db2.gz OIZZLXSXTCJIJW-CYBMUJFWSA-N 1 0 414.440 1.084 20 5 HDBDRO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000727158638 1076071523 /nfs/dbraw/zinc/07/15/23/1076071523.db2.gz WFXUTDWCAPTUDP-INIZCTEOSA-N 1 0 403.483 1.221 20 5 HDBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@@H]([NH+]3CCCCC3)C2)C1=O ZINC000730804307 1076656180 /nfs/dbraw/zinc/65/61/80/1076656180.db2.gz GFQQQSGHYGTWNX-XLIONFOSSA-N 1 0 401.467 1.880 20 5 HDBDRO Cn1nnc2c1CCN(c1nc(Cl)ncc1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164712469 720166517 /nfs/dbraw/zinc/16/65/17/720166517.db2.gz GWWJJLLFWVHROV-CQSZACIVSA-N 1 0 422.877 1.383 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813462 720224513 /nfs/dbraw/zinc/22/45/13/720224513.db2.gz MPIKJZUMLVNSPF-UHFFFAOYSA-N 1 0 417.470 1.509 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164828456 720318797 /nfs/dbraw/zinc/31/87/97/720318797.db2.gz JNPQIDUWJZCEOW-LSDHHAIUSA-N 1 0 404.471 1.305 20 5 HDBDRO CN(C)/C=C\c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164738565 720755413 /nfs/dbraw/zinc/75/54/13/720755413.db2.gz GBFBKBIGVPDGSK-NMBNSIPYSA-N 1 0 411.466 1.654 20 5 HDBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164737178 720776620 /nfs/dbraw/zinc/77/66/20/720776620.db2.gz AKQDJUMPLHRAPX-CABCVRRESA-N 1 0 400.439 1.909 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740321 720828343 /nfs/dbraw/zinc/82/83/43/720828343.db2.gz KEVGODSIBMEPLF-HRCADAONSA-N 1 0 414.470 1.364 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)CC[C@@H]2C1 ZINC001164856599 720873674 /nfs/dbraw/zinc/87/36/74/720873674.db2.gz IKSVZSKFVLGVDF-DTAYJBSDSA-N 1 0 405.499 1.696 20 5 HDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164749452 720951701 /nfs/dbraw/zinc/95/17/01/720951701.db2.gz GOJBZBHQXFGUQA-UHFFFAOYSA-N 1 0 408.846 1.794 20 5 HDBDRO COc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164766356 721130743 /nfs/dbraw/zinc/13/07/43/721130743.db2.gz KRNJMJPASOULDV-KBPBESRZSA-N 1 0 403.443 1.094 20 5 HDBDRO Cc1nc(Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1[N+](=O)[O-] ZINC001164795233 721508849 /nfs/dbraw/zinc/50/88/49/721508849.db2.gz IAAQHUHWCAULCM-UHFFFAOYSA-N 1 0 406.878 1.311 20 5 HDBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302118593 1073584905 /nfs/dbraw/zinc/58/49/05/1073584905.db2.gz DXFRKKSRCZMAFC-OAHLLOKOSA-N 1 0 419.507 1.865 20 5 HDBDRO CC1=CC[N@H+](CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000302145020 1073586666 /nfs/dbraw/zinc/58/66/66/1073586666.db2.gz IZMIOKPZBCXWCV-UHFFFAOYSA-N 1 0 423.539 1.595 20 5 HDBDRO C[NH+]1CCN(CCCNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000302718195 1073619467 /nfs/dbraw/zinc/61/94/67/1073619467.db2.gz HJIOSWXMQZIOFD-UHFFFAOYSA-N 1 0 405.455 1.037 20 5 HDBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000302942790 1073643448 /nfs/dbraw/zinc/64/34/48/1073643448.db2.gz BMQBCYFQWUHYKB-UHFFFAOYSA-N 1 0 400.483 1.424 20 5 HDBDRO COC(=O)c1cc(C)nc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000553427069 1074801073 /nfs/dbraw/zinc/80/10/73/1074801073.db2.gz QNLZXGJVPWUDAO-UHFFFAOYSA-N 1 0 421.498 2.123 20 5 HDBDRO Cc1cc(NC(=O)C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000543141043 1074819608 /nfs/dbraw/zinc/81/96/08/1074819608.db2.gz FCSBWBNASOAYEN-HNNXBMFYSA-N 1 0 404.423 1.982 20 5 HDBDRO C[NH+]1CCC(n2ccc(NC(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)n2)CC1 ZINC000571092691 1075783203 /nfs/dbraw/zinc/78/32/03/1075783203.db2.gz SMZXAEFMICQPLZ-UHFFFAOYSA-N 1 0 400.439 2.485 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088296 1075827934 /nfs/dbraw/zinc/82/79/34/1075827934.db2.gz OJFTVXCMFVRSBN-CRAIPNDOSA-N 1 0 424.523 1.691 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)CC1 ZINC000611177001 1075869444 /nfs/dbraw/zinc/86/94/44/1075869444.db2.gz UQWLAXVDKLNKDQ-UHFFFAOYSA-N 1 0 418.494 1.997 20 5 HDBDRO Cc1c(NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000611176426 1075869891 /nfs/dbraw/zinc/86/98/91/1075869891.db2.gz UVKVCPOIPMFNTA-UHFFFAOYSA-N 1 0 417.510 1.859 20 5 HDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733157823 1075990051 /nfs/dbraw/zinc/99/00/51/1075990051.db2.gz GDLIUYCKQTUECZ-SFHVURJKSA-N 1 0 418.494 1.805 20 5 HDBDRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000733903361 1076261525 /nfs/dbraw/zinc/26/15/25/1076261525.db2.gz LYZLFVVDXIQERF-FQEVSTJZSA-N 1 0 417.466 1.351 20 5 HDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000728072913 1076332613 /nfs/dbraw/zinc/33/26/13/1076332613.db2.gz MJEAVADVOAYLGC-AWEZNQCLSA-N 1 0 407.427 1.484 20 5 HDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728072942 1076333055 /nfs/dbraw/zinc/33/30/55/1076333055.db2.gz NHAMQBHDFJJQSC-MRXNPFEDSA-N 1 0 402.455 1.003 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C2 ZINC001164809605 720113883 /nfs/dbraw/zinc/11/38/83/720113883.db2.gz HMYGKLNRBONGEK-KUHUBIRLSA-N 1 0 407.471 1.587 20 5 HDBDRO Cn1nnc2c1CCN(c1nccc(Cl)c1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164713881 720167941 /nfs/dbraw/zinc/16/79/41/720167941.db2.gz MMPTVUBYEQIUPC-OAHLLOKOSA-N 1 0 421.889 1.988 20 5 HDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001164832452 720327318 /nfs/dbraw/zinc/32/73/18/720327318.db2.gz TYSYMZXWPBUBHX-HZPDHXFCSA-N 1 0 423.901 1.793 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836296 720544978 /nfs/dbraw/zinc/54/49/78/720544978.db2.gz JKPVXPRNQHYGLZ-BZUAXINKSA-N 1 0 401.471 1.968 20 5 HDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164857716 720885935 /nfs/dbraw/zinc/88/59/35/720885935.db2.gz KLGVVKFQTJMQSH-HOCLYGCPSA-N 1 0 408.455 1.340 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164750780 720953311 /nfs/dbraw/zinc/95/33/11/720953311.db2.gz NJPCUOTURCGSDS-UHFFFAOYSA-N 1 0 410.434 1.985 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866760 721191420 /nfs/dbraw/zinc/19/14/20/721191420.db2.gz CPNBVCPHJCVLPN-HZPDHXFCSA-N 1 0 413.434 1.651 20 5 HDBDRO COc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164891554 721393453 /nfs/dbraw/zinc/39/34/53/721393453.db2.gz QKBTWOWWYGBHSC-OXQOHEQNSA-N 1 0 405.499 1.764 20 5 HDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc4ccc([N+](=O)[O-])cc4n2)CC3)CC1 ZINC001164794079 721509961 /nfs/dbraw/zinc/50/99/61/721509961.db2.gz DWYRYLYKOYEUTE-UHFFFAOYSA-N 1 0 408.466 1.502 20 5 HDBDRO C[NH+]1CCN(CC2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000302173643 1073588355 /nfs/dbraw/zinc/58/83/55/1073588355.db2.gz MMILIUMSIRAEHN-UHFFFAOYSA-N 1 0 402.542 1.524 20 5 HDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302685147 1073618107 /nfs/dbraw/zinc/61/81/07/1073618107.db2.gz YBJSKYYQDXLXRE-HZPDHXFCSA-N 1 0 410.540 1.993 20 5 HDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 ZINC000766023513 1073669149 /nfs/dbraw/zinc/66/91/49/1073669149.db2.gz NQBXZUXDVJTPQI-LJQANCHMSA-N 1 0 403.527 1.560 20 5 HDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000303580184 1073754729 /nfs/dbraw/zinc/75/47/29/1073754729.db2.gz MKOVURQOQDLFRY-HNNXBMFYSA-N 1 0 401.471 1.179 20 5 HDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561257508 1074805754 /nfs/dbraw/zinc/80/57/54/1074805754.db2.gz DNTVTTZIKNZJOF-JKSUJKDBSA-N 1 0 400.435 2.132 20 5 HDBDRO COC(=O)c1cc(C)nc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561257507 1074806236 /nfs/dbraw/zinc/80/62/36/1074806236.db2.gz DNTVTTZIKNZJOF-HZPDHXFCSA-N 1 0 400.435 2.132 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000731639642 1075442067 /nfs/dbraw/zinc/44/20/67/1075442067.db2.gz RIHBOLQWXGHJMY-UHFFFAOYSA-N 1 0 423.466 1.800 20 5 HDBDRO Cc1c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000470223481 1075499976 /nfs/dbraw/zinc/49/99/76/1075499976.db2.gz OBYSEMPOGJLCDS-CQSZACIVSA-N 1 0 410.496 1.355 20 5 HDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732559714 1075786543 /nfs/dbraw/zinc/78/65/43/1075786543.db2.gz QBHKFWFTYKVJGG-GOSISDBHSA-N 1 0 400.483 1.571 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087674 1075827169 /nfs/dbraw/zinc/82/71/69/1075827169.db2.gz CARVFQKCIVSRDY-WMLDXEAASA-N 1 0 410.496 1.301 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C[C@H]1C ZINC000611088229 1075827578 /nfs/dbraw/zinc/82/75/78/1075827578.db2.gz KHTDAVYFXPUCGX-HZPDHXFCSA-N 1 0 424.523 1.548 20 5 HDBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000611105471 1075837985 /nfs/dbraw/zinc/83/79/85/1075837985.db2.gz SNMSJMDDLCMSMM-INIZCTEOSA-N 1 0 407.496 1.654 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000611166119 1075865307 /nfs/dbraw/zinc/86/53/07/1075865307.db2.gz IRUYUIQGKLWUEJ-UHFFFAOYSA-N 1 0 411.528 1.237 20 5 HDBDRO COC(=O)[C@H](C)NC(=O)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611165782 1075865610 /nfs/dbraw/zinc/86/56/10/1075865610.db2.gz OKOSLDLLHQBEKW-BBRMVZONSA-N 1 0 420.466 1.551 20 5 HDBDRO Cc1nn(CCC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000611176932 1075869805 /nfs/dbraw/zinc/86/98/05/1075869805.db2.gz JJHOXWVHEXVEAM-UHFFFAOYSA-N 1 0 406.531 1.815 20 5 HDBDRO Cc1c(NC(=O)[C@H](C)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000611244211 1075885706 /nfs/dbraw/zinc/88/57/06/1075885706.db2.gz JLSUPJCQBODOEY-KSSFIOAISA-N 1 0 403.483 1.644 20 5 HDBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)C1 ZINC000611462391 1075936673 /nfs/dbraw/zinc/93/66/73/1075936673.db2.gz YNOSPCORYWBOTK-KRWDZBQOSA-N 1 0 417.510 1.283 20 5 HDBDRO O=C(COC(=O)Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733453229 1076079758 /nfs/dbraw/zinc/07/97/58/1076079758.db2.gz UKWKBUCGHKDZJR-UHFFFAOYSA-N 1 0 419.463 1.522 20 5 HDBDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000730106954 1076458568 /nfs/dbraw/zinc/45/85/68/1076458568.db2.gz RDEKUWDWYHFIDJ-UHFFFAOYSA-N 1 0 410.408 1.580 20 5 HDBDRO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@H]([NH+]3CCCCC3)C2)C1=O ZINC000730804305 1076656106 /nfs/dbraw/zinc/65/61/06/1076656106.db2.gz GFQQQSGHYGTWNX-PXNSSMCTSA-N 1 0 401.467 1.880 20 5 HDBDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000730808073 1076665868 /nfs/dbraw/zinc/66/58/68/1076665868.db2.gz HMUOPJDNKQADBJ-HXUWFJFHSA-N 1 0 401.511 1.804 20 5 HDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164682555 719707247 /nfs/dbraw/zinc/70/72/47/719707247.db2.gz FTTOVAPLDLKDPM-UHFFFAOYSA-N 1 0 403.270 1.872 20 5 HDBDRO COc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c([N+](=O)[O-])c1 ZINC001164814810 720219682 /nfs/dbraw/zinc/21/96/82/720219682.db2.gz ZOKNIXUNZWSOER-UHFFFAOYSA-N 1 0 402.455 1.806 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836294 720545060 /nfs/dbraw/zinc/54/50/60/720545060.db2.gz JKPVXPRNQHYGLZ-ARFHVFGLSA-N 1 0 401.471 1.968 20 5 HDBDRO COc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164736891 720701223 /nfs/dbraw/zinc/70/12/23/720701223.db2.gz CCANXTIHMBLNFA-UONOGXRCSA-N 1 0 423.433 1.679 20 5 HDBDRO COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164742204 720823751 /nfs/dbraw/zinc/82/37/51/720823751.db2.gz QBOQEKPMIDQUSI-GVDBMIGSSA-N 1 0 413.482 1.969 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852879 720838146 /nfs/dbraw/zinc/83/81/46/720838146.db2.gz MEDSXGFQITZEHB-VXGBXAGGSA-N 1 0 417.919 1.934 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856027 720859824 /nfs/dbraw/zinc/85/98/24/720859824.db2.gz NRDHJEWJPIHQQH-NWDGAFQWSA-N 1 0 417.919 1.934 20 5 HDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164857720 720886002 /nfs/dbraw/zinc/88/60/02/720886002.db2.gz KLGVVKFQTJMQSH-ZBFHGGJFSA-N 1 0 408.455 1.340 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866187 721088593 /nfs/dbraw/zinc/08/85/93/721088593.db2.gz RRZIIGISIVXYRY-HOTGVXAUSA-N 1 0 400.439 1.577 20 5 HDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764780 721240467 /nfs/dbraw/zinc/24/04/67/721240467.db2.gz QBBLNGDYFSWKLO-HZPDHXFCSA-N 1 0 414.470 1.343 20 5 HDBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164925402 721850017 /nfs/dbraw/zinc/85/00/17/721850017.db2.gz FEOJSMBDJZWTAP-VXGBXAGGSA-N 1 0 412.878 1.430 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977338 722118671 /nfs/dbraw/zinc/11/86/71/722118671.db2.gz MOTGCZWFZAVNPQ-SJORKVTESA-N 1 0 414.466 1.824 20 5 HDBDRO CN1CCC(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000302144760 1073586748 /nfs/dbraw/zinc/58/67/48/1073586748.db2.gz QQCAIAZKVCYTPO-UHFFFAOYSA-N 1 0 411.528 1.604 20 5 HDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N(Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000215734601 1073653443 /nfs/dbraw/zinc/65/34/43/1073653443.db2.gz NYKVKGFQRRDHRC-UHFFFAOYSA-N 1 0 419.507 1.999 20 5 HDBDRO Cn1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-c2cccnc2)n1 ZINC000543621529 1074800234 /nfs/dbraw/zinc/80/02/34/1074800234.db2.gz SXTKJGGLUYOQMF-UHFFFAOYSA-N 1 0 401.448 1.954 20 5 HDBDRO CC[N@@H+]1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084368 1075831812 /nfs/dbraw/zinc/83/18/12/1075831812.db2.gz FABGREJROLBTNY-HNNXBMFYSA-N 1 0 411.528 1.061 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000611166106 1075865249 /nfs/dbraw/zinc/86/52/49/1075865249.db2.gz FTQQHXJYLHDWLI-UHFFFAOYSA-N 1 0 410.540 1.993 20 5 HDBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611165787 1075865669 /nfs/dbraw/zinc/86/56/69/1075865669.db2.gz OKOSLDLLHQBEKW-CJNGLKHVSA-N 1 0 420.466 1.551 20 5 HDBDRO CC(C)N1CC[NH+](C2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000611176888 1075869869 /nfs/dbraw/zinc/86/98/69/1075869869.db2.gz CIHZCABPTPMENB-UHFFFAOYSA-N 1 0 417.510 1.342 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611513405 1075952514 /nfs/dbraw/zinc/95/25/14/1075952514.db2.gz YCXQRCXWONOSGU-AWEZNQCLSA-N 1 0 412.393 1.751 20 5 HDBDRO O=C(COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)NC1CC[NH+](C2CC2)CC1 ZINC000727565020 1076172971 /nfs/dbraw/zinc/17/29/71/1076172971.db2.gz JINLTXPACWYYBL-UHFFFAOYSA-N 1 0 405.407 1.266 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC001164806987 720078766 /nfs/dbraw/zinc/07/87/66/720078766.db2.gz DVQSTRSOLCOSLQ-MGPUTAFESA-N 1 0 404.467 1.961 20 5 HDBDRO Cn1nnc2c1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164711913 720167225 /nfs/dbraw/zinc/16/72/25/720167225.db2.gz DNUGAUVEFICXIY-INIZCTEOSA-N 1 0 421.889 1.988 20 5 HDBDRO Cn1nnc2c1CCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164713435 720167972 /nfs/dbraw/zinc/16/79/72/720167972.db2.gz KGRRKNGOICMRMA-MRXNPFEDSA-N 1 0 421.889 1.988 20 5 HDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001164832455 720327437 /nfs/dbraw/zinc/32/74/37/720327437.db2.gz TYSYMZXWPBUBHX-JKSUJKDBSA-N 1 0 423.901 1.793 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836299 720545383 /nfs/dbraw/zinc/54/53/83/720545383.db2.gz JKPVXPRNQHYGLZ-HRCADAONSA-N 1 0 401.471 1.968 20 5 HDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738306 720660965 /nfs/dbraw/zinc/66/09/65/720660965.db2.gz IUTPAJBEFBDSCZ-VHSXEESVSA-N 1 0 412.237 1.824 20 5 HDBDRO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738509 720825650 /nfs/dbraw/zinc/82/56/50/720825650.db2.gz GEJSOCQMBPIAHE-SOLBZPMBSA-N 1 0 413.482 1.969 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164856029 720859665 /nfs/dbraw/zinc/85/96/65/720859665.db2.gz NRDHJEWJPIHQQH-VXGBXAGGSA-N 1 0 417.919 1.934 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164852122 720864916 /nfs/dbraw/zinc/86/49/16/720864916.db2.gz CCFJRWMMHAQBPJ-RHSMWYFYSA-N 1 0 408.455 1.340 20 5 HDBDRO Cc1cc([N+](=O)[O-])c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1Cl ZINC001164752409 720951000 /nfs/dbraw/zinc/95/10/00/720951000.db2.gz ZFOWBEYRWDNBIC-UHFFFAOYSA-N 1 0 408.846 1.794 20 5 HDBDRO CC(C)Oc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ccc1[N+](=O)[O-] ZINC001164754848 720965014 /nfs/dbraw/zinc/96/50/14/720965014.db2.gz YKGZNLCJHQFJHH-UHFFFAOYSA-N 1 0 418.454 1.619 20 5 HDBDRO COc1ncnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886553 721411305 /nfs/dbraw/zinc/41/13/05/721411305.db2.gz JVPUWKPAZOGSNO-HNAYVOBHSA-N 1 0 406.487 1.159 20 5 HDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164794244 721510287 /nfs/dbraw/zinc/51/02/87/721510287.db2.gz MBEHCCGRQKUCJF-UHFFFAOYSA-N 1 0 406.878 1.311 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004264 722258161 /nfs/dbraw/zinc/25/81/61/722258161.db2.gz OTUZDHYNXAKAOO-UHFFFAOYSA-N 1 0 418.454 1.461 20 5 HDBDRO COc1ccc(C(=O)NCC(=O)NCc2ccccc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000509095801 1073516794 /nfs/dbraw/zinc/51/67/94/1073516794.db2.gz NOXHGJHFANQLKA-UHFFFAOYSA-N 1 0 409.402 1.835 20 5 HDBDRO CN(Cc1cnn(C)c1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000216557474 1073816259 /nfs/dbraw/zinc/81/62/59/1073816259.db2.gz XRTZSWZPZFMWOQ-UHFFFAOYSA-N 1 0 410.500 1.195 20 5 HDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001129186478 1075399485 /nfs/dbraw/zinc/39/94/85/1075399485.db2.gz ZYVGIEXMRJRNMA-OLMNPRSZSA-N 1 0 422.507 1.301 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000731599350 1075405816 /nfs/dbraw/zinc/40/58/16/1075405816.db2.gz QLSBJYYEMROHLB-UHFFFAOYSA-N 1 0 400.391 1.539 20 5 HDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731623500 1075418143 /nfs/dbraw/zinc/41/81/43/1075418143.db2.gz UWABTUHFNNSQGN-CALCHBBNSA-N 1 0 418.494 1.803 20 5 HDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732065276 1075600284 /nfs/dbraw/zinc/60/02/84/1075600284.db2.gz YIODGECCTPVEIH-MGPQQGTHSA-N 1 0 408.480 1.240 20 5 HDBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543686902 1075733453 /nfs/dbraw/zinc/73/34/53/1075733453.db2.gz CPBYGJDJYUHPSY-UHFFFAOYSA-N 1 0 410.540 1.941 20 5 HDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000611475376 1075943364 /nfs/dbraw/zinc/94/33/64/1075943364.db2.gz XUBIBVCFZLUVIT-IGCXYCKISA-N 1 0 400.439 1.829 20 5 HDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000611475280 1075943397 /nfs/dbraw/zinc/94/33/97/1075943397.db2.gz KDPFOCDZBVIQKE-VLXJIEOASA-N 1 0 403.439 1.622 20 5 HDBDRO CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc2[N+](=O)[O-])CC1 ZINC000733163087 1075996972 /nfs/dbraw/zinc/99/69/72/1075996972.db2.gz BFRVVBUTRLJQRB-QGZVFWFLSA-N 1 0 405.499 1.579 20 5 HDBDRO Cc1ncc([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164716523 720178809 /nfs/dbraw/zinc/17/88/09/720178809.db2.gz GMIHEDBWHMZOOS-MRXNPFEDSA-N 1 0 402.459 1.038 20 5 HDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001164832451 720327507 /nfs/dbraw/zinc/32/75/07/720327507.db2.gz TYSYMZXWPBUBHX-HOTGVXAUSA-N 1 0 423.901 1.793 20 5 HDBDRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738510 720825615 /nfs/dbraw/zinc/82/56/15/720825615.db2.gz GEJSOCQMBPIAHE-XYJFISCASA-N 1 0 413.482 1.969 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743124 720837195 /nfs/dbraw/zinc/83/71/95/720837195.db2.gz ISMAUZCOSZWVSF-ZHALLVOQSA-N 1 0 413.482 1.508 20 5 HDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856028 720859532 /nfs/dbraw/zinc/85/95/32/720859532.db2.gz NRDHJEWJPIHQQH-RYUDHWBXSA-N 1 0 417.919 1.934 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC001164751771 720959267 /nfs/dbraw/zinc/95/92/67/720959267.db2.gz UBQLKAREXHEQSA-UHFFFAOYSA-N 1 0 410.434 1.985 20 5 HDBDRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164866052 721070111 /nfs/dbraw/zinc/07/01/11/721070111.db2.gz CCTMLKSTYFYTBV-SJORKVTESA-N 1 0 413.434 1.651 20 5 HDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865115 721109847 /nfs/dbraw/zinc/10/98/47/721109847.db2.gz IMAFCRXEVVHKMX-HOTGVXAUSA-N 1 0 405.842 1.756 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164760522 721246112 /nfs/dbraw/zinc/24/61/12/721246112.db2.gz FMNQUCXHYKWFNQ-HUUCEWRRSA-N 1 0 400.439 1.468 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])cc(Cl)n3)CC2)C1 ZINC001164875106 721262417 /nfs/dbraw/zinc/26/24/17/721262417.db2.gz MBDZVVCPGZIIRQ-UHFFFAOYSA-N 1 0 411.890 1.650 20 5 HDBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886782 721397289 /nfs/dbraw/zinc/39/72/89/721397289.db2.gz GGUJVCQGTJIZCB-LPHOPBHVSA-N 1 0 420.470 1.663 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165035855 721899804 /nfs/dbraw/zinc/89/98/04/721899804.db2.gz DMTSXCMVUVVUEG-ZDUSSCGKSA-N 1 0 408.455 1.730 20 5 HDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000489811469 1073593273 /nfs/dbraw/zinc/59/32/73/1073593273.db2.gz YPKMZFWIDQVDMI-ZIAGYGMSSA-N 1 0 409.512 1.997 20 5 HDBDRO CC(C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000303523197 1073747634 /nfs/dbraw/zinc/74/76/34/1073747634.db2.gz FJJDUXYGFXSVIE-LJQANCHMSA-N 1 0 400.483 1.782 20 5 HDBDRO CC(C)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000303523194 1073747701 /nfs/dbraw/zinc/74/77/01/1073747701.db2.gz FJJDUXYGFXSVIE-IBGZPJMESA-N 1 0 400.483 1.782 20 5 HDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000216271974 1073779614 /nfs/dbraw/zinc/77/96/14/1073779614.db2.gz PSOSQYOBCQGNFP-KRWDZBQOSA-N 1 0 413.482 1.247 20 5 HDBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000466540155 1073798754 /nfs/dbraw/zinc/79/87/54/1073798754.db2.gz NPFDDCQMJRJKGK-UHFFFAOYSA-N 1 0 412.874 1.419 20 5 HDBDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001128636057 1074198944 /nfs/dbraw/zinc/19/89/44/1074198944.db2.gz FSFCKYABMSTDOD-INIZCTEOSA-N 1 0 407.434 1.822 20 5 HDBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000543627564 1075136626 /nfs/dbraw/zinc/13/66/26/1075136626.db2.gz WMMUILADKDYLKY-AWEZNQCLSA-N 1 0 412.512 1.963 20 5 HDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000731480981 1075372031 /nfs/dbraw/zinc/37/20/31/1075372031.db2.gz JYBOEEYHANZPGU-UHFFFAOYSA-N 1 0 403.483 1.842 20 5 HDBDRO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429401643 1075415352 /nfs/dbraw/zinc/41/53/52/1075415352.db2.gz MKIYNQWFVVLOIP-FQEVSTJZSA-N 1 0 423.473 1.990 20 5 HDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732030660 1075590631 /nfs/dbraw/zinc/59/06/31/1075590631.db2.gz NCKXLBVDDFZEDG-NSHDSACASA-N 1 0 420.438 1.590 20 5 HDBDRO Cc1c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000732107859 1075633905 /nfs/dbraw/zinc/63/39/05/1075633905.db2.gz WAGQFGDQJOLUMY-UHFFFAOYSA-N 1 0 405.455 1.911 20 5 HDBDRO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436340571 1075670163 /nfs/dbraw/zinc/67/01/63/1075670163.db2.gz FZBAXVOZJHONGY-SNVBAGLBSA-N 1 0 413.360 1.797 20 5 HDBDRO CC(C)[NH+](CCCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000470237363 1075704655 /nfs/dbraw/zinc/70/46/55/1075704655.db2.gz PIDGBPLIMGITDN-UHFFFAOYSA-N 1 0 414.528 1.840 20 5 HDBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732559716 1075786638 /nfs/dbraw/zinc/78/66/38/1075786638.db2.gz QBHKFWFTYKVJGG-SFHVURJKSA-N 1 0 400.483 1.571 20 5 HDBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000732763760 1075848145 /nfs/dbraw/zinc/84/81/45/1075848145.db2.gz GIEDUPKEGMIDCY-UHFFFAOYSA-N 1 0 418.425 1.721 20 5 HDBDRO O=C(c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000611165701 1075865546 /nfs/dbraw/zinc/86/55/46/1075865546.db2.gz AWHUFTFQVPFNCT-QGZVFWFLSA-N 1 0 404.467 1.732 20 5 HDBDRO CN(C[C@@H](O)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611203642 1075877298 /nfs/dbraw/zinc/87/72/98/1075877298.db2.gz FFSNLRDTOODVNP-QGZVFWFLSA-N 1 0 400.501 1.032 20 5 HDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611244207 1075885469 /nfs/dbraw/zinc/88/54/69/1075885469.db2.gz JLFQXOXQQIRWCO-KRWDZBQOSA-N 1 0 419.482 1.346 20 5 HDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000611475225 1075943376 /nfs/dbraw/zinc/94/33/76/1075943376.db2.gz DZRRZBFIVBFITQ-IIYDPXPESA-N 1 0 400.439 1.829 20 5 HDBDRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000611499561 1075949235 /nfs/dbraw/zinc/94/92/35/1075949235.db2.gz WJJWBIUKRZSIMC-UHFFFAOYSA-N 1 0 408.846 1.304 20 5 HDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733170713 1076001104 /nfs/dbraw/zinc/00/11/04/1076001104.db2.gz QMXCTRDJLGGWEP-QGZVFWFLSA-N 1 0 419.526 1.435 20 5 HDBDRO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC000733795906 1076216570 /nfs/dbraw/zinc/21/65/70/1076216570.db2.gz LMHFLHARZFXOID-SFHVURJKSA-N 1 0 416.478 1.519 20 5 HDBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000729882769 1076375467 /nfs/dbraw/zinc/37/54/67/1076375467.db2.gz ODQDWOPWWXQYEZ-UHFFFAOYSA-N 1 0 410.858 1.948 20 5 HDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000730574734 1076607522 /nfs/dbraw/zinc/60/75/22/1076607522.db2.gz ANCYGVFRBLVZIE-CQSZACIVSA-N 1 0 400.476 1.525 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001164662575 719340866 /nfs/dbraw/zinc/34/08/66/719340866.db2.gz PQVKWQQJEPGARS-UHFFFAOYSA-N 1 0 422.482 1.978 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC001164806994 720080077 /nfs/dbraw/zinc/08/00/77/720080077.db2.gz DVQSTRSOLCOSLQ-YWZLYKJASA-N 1 0 404.467 1.961 20 5 HDBDRO Cc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001164716153 720168289 /nfs/dbraw/zinc/16/82/89/720168289.db2.gz YDULAZFXSZQXLW-KRWDZBQOSA-N 1 0 401.471 1.643 20 5 HDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164718362 720186152 /nfs/dbraw/zinc/18/61/52/720186152.db2.gz PDJWXFRJOYDBEE-KRWDZBQOSA-N 1 0 415.498 1.951 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833015 720327334 /nfs/dbraw/zinc/32/73/34/720327334.db2.gz VRTHFBUYGJLKHF-ROUUACIJSA-N 1 0 403.483 1.448 20 5 HDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740859 720631095 /nfs/dbraw/zinc/63/10/95/720631095.db2.gz JLIVKXROZZLLGJ-QWRGUYRKSA-N 1 0 423.886 1.892 20 5 HDBDRO COC(=O)c1cnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164761685 721102621 /nfs/dbraw/zinc/10/26/21/721102621.db2.gz AFXXGKSZCIGSBI-ZBFHGGJFSA-N 1 0 400.439 1.468 20 5 HDBDRO COC(=O)c1cnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164761682 721102759 /nfs/dbraw/zinc/10/27/59/721102759.db2.gz AFXXGKSZCIGSBI-GDBMZVCRSA-N 1 0 400.439 1.468 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866762 721190260 /nfs/dbraw/zinc/19/02/60/721190260.db2.gz CPNBVCPHJCVLPN-JKSUJKDBSA-N 1 0 413.434 1.651 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975771 722118546 /nfs/dbraw/zinc/11/85/46/722118546.db2.gz KYLONBXQXMZWEG-HZPDHXFCSA-N 1 0 400.439 1.516 20 5 HDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302153109 1073587399 /nfs/dbraw/zinc/58/73/99/1073587399.db2.gz VAQZQCZHCIQYTG-HUUCEWRRSA-N 1 0 411.528 1.237 20 5 HDBDRO C[C@H](CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])Cn1cccn1 ZINC000303479778 1073738880 /nfs/dbraw/zinc/73/88/80/1073738880.db2.gz SRNVTNSIMBZTJN-CQSZACIVSA-N 1 0 410.500 1.379 20 5 HDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000303532327 1073748472 /nfs/dbraw/zinc/74/84/72/1073748472.db2.gz GQCWUHPDXKSGMJ-MRXNPFEDSA-N 1 0 400.483 1.784 20 5 HDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000303589251 1073756373 /nfs/dbraw/zinc/75/63/73/1073756373.db2.gz OKVPLVJHRFBIRC-HNNXBMFYSA-N 1 0 419.482 1.425 20 5 HDBDRO O=c1[nH]c(NCCC[NH+]2CCN(c3ncccn3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000439104891 1075291873 /nfs/dbraw/zinc/29/18/73/1075291873.db2.gz GENTUPMTINKXMK-UHFFFAOYSA-N 1 0 410.438 1.658 20 5 HDBDRO Cn1cnnc1Sc1ccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000499250315 1075740737 /nfs/dbraw/zinc/74/07/37/1075740737.db2.gz LGDNVZXZVYHSCA-UHFFFAOYSA-N 1 0 416.467 1.885 20 5 HDBDRO CCn1cc(S(=O)(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)c([N+](=O)[O-])n1 ZINC000611105711 1075837617 /nfs/dbraw/zinc/83/76/17/1075837617.db2.gz DWHIKYMPCQZJBO-UHFFFAOYSA-N 1 0 415.516 1.513 20 5 HDBDRO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000611226592 1075877657 /nfs/dbraw/zinc/87/76/57/1075877657.db2.gz LVEJNPKAIOZSFY-UHFFFAOYSA-N 1 0 420.491 1.871 20 5 HDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611244303 1075884669 /nfs/dbraw/zinc/88/46/69/1075884669.db2.gz QRYKXCXLNLGHIX-QGZVFWFLSA-N 1 0 419.482 1.346 20 5 HDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000611475379 1075943385 /nfs/dbraw/zinc/94/33/85/1075943385.db2.gz XUBIBVCFZLUVIT-XNJGSVPQSA-N 1 0 400.439 1.829 20 5 HDBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000611510112 1075951134 /nfs/dbraw/zinc/95/11/34/1075951134.db2.gz SWSCCPVCRXVAFD-UHFFFAOYSA-N 1 0 400.391 1.867 20 5 HDBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733159830 1075992597 /nfs/dbraw/zinc/99/25/97/1075992597.db2.gz XVEFFOFXTFBGDI-INIZCTEOSA-N 1 0 405.499 1.187 20 5 HDBDRO NC(=O)NC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727436812 1076119996 /nfs/dbraw/zinc/11/99/96/1076119996.db2.gz BAEQAOXIQOFQDJ-UHFFFAOYSA-N 1 0 403.361 1.711 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000728061030 1076314625 /nfs/dbraw/zinc/31/46/25/1076314625.db2.gz ZBCHYOWMKLZORX-LLVKDONJSA-N 1 0 404.876 1.114 20 5 HDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000730807391 1076665182 /nfs/dbraw/zinc/66/51/82/1076665182.db2.gz WBVFRZYRDHIONT-KRWDZBQOSA-N 1 0 424.523 1.680 20 5 HDBDRO O=C1NCCN(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)C12C[NH2+]C2 ZINC001164414747 718879301 /nfs/dbraw/zinc/87/93/01/718879301.db2.gz WSGTVGDJRIQAFP-UHFFFAOYSA-N 1 0 424.795 1.528 20 5 HDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(OC)c([N+](=O)[O-])c(OC)n3)CC2)CC1 ZINC001164618388 719026863 /nfs/dbraw/zinc/02/68/63/719026863.db2.gz VQDLISCQFYXUBZ-UHFFFAOYSA-N 1 0 423.470 1.646 20 5 HDBDRO Cn1nnc2c1CCN(c1ncc([N+](=O)[O-])cc1F)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718203 720176020 /nfs/dbraw/zinc/17/60/20/720176020.db2.gz NDLLFANOLSTANG-MRXNPFEDSA-N 1 0 405.434 1.474 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C2 ZINC001164814601 720199240 /nfs/dbraw/zinc/19/92/40/720199240.db2.gz VDBQSBDMSAKLJV-JXFKEZNVSA-N 1 0 418.498 1.836 20 5 HDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CCC2 ZINC001164814756 720225898 /nfs/dbraw/zinc/22/58/98/720225898.db2.gz YGBMHMKTFHPBEJ-UHFFFAOYSA-N 1 0 422.873 1.689 20 5 HDBDRO COC(=O)c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c([N+](=O)[O-])c1 ZINC001164733687 720556981 /nfs/dbraw/zinc/55/69/81/720556981.db2.gz OQWLMKLBRNMDCN-UHFFFAOYSA-N 1 0 400.439 1.631 20 5 HDBDRO COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164742206 720824154 /nfs/dbraw/zinc/82/41/54/720824154.db2.gz QBOQEKPMIDQUSI-IXDOHACOSA-N 1 0 413.482 1.969 20 5 HDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164860964 720856622 /nfs/dbraw/zinc/85/66/22/720856622.db2.gz XMODXEGKMSJDLQ-LIRRHRJNSA-N 1 0 417.466 1.720 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164852124 720865063 /nfs/dbraw/zinc/86/50/63/720865063.db2.gz CCFJRWMMHAQBPJ-WMLDXEAASA-N 1 0 408.455 1.340 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866186 721089100 /nfs/dbraw/zinc/08/91/00/721089100.db2.gz RRZIIGISIVXYRY-CVEARBPZSA-N 1 0 400.439 1.577 20 5 HDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865117 721110555 /nfs/dbraw/zinc/11/05/55/721110555.db2.gz IMAFCRXEVVHKMX-JKSUJKDBSA-N 1 0 405.842 1.756 20 5 HDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164764775 721240341 /nfs/dbraw/zinc/24/03/41/721240341.db2.gz QBBLNGDYFSWKLO-CVEARBPZSA-N 1 0 414.470 1.343 20 5 HDBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164925400 721849816 /nfs/dbraw/zinc/84/98/16/721849816.db2.gz FEOJSMBDJZWTAP-RYUDHWBXSA-N 1 0 412.878 1.430 20 5 HDBDRO COc1ncnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975769 722118075 /nfs/dbraw/zinc/11/80/75/722118075.db2.gz KYLONBXQXMZWEG-HOTGVXAUSA-N 1 0 400.439 1.516 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977336 722118529 /nfs/dbraw/zinc/11/85/29/722118529.db2.gz MOTGCZWFZAVNPQ-IAGOWNOFSA-N 1 0 414.466 1.824 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000731634633 1075412096 /nfs/dbraw/zinc/41/20/96/1075412096.db2.gz WWRVNKOKNRKITB-UHFFFAOYSA-N 1 0 421.450 1.556 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732030659 1075590568 /nfs/dbraw/zinc/59/05/68/1075590568.db2.gz NCKXLBVDDFZEDG-LLVKDONJSA-N 1 0 420.438 1.590 20 5 HDBDRO CN(C[C@H]1CCC[C@H]1O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611104636 1075836743 /nfs/dbraw/zinc/83/67/43/1075836743.db2.gz ZIMOQGVMMPPGFM-CXAGYDPISA-N 1 0 400.501 1.032 20 5 HDBDRO CNc1nccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000553163240 1075850691 /nfs/dbraw/zinc/85/06/91/1075850691.db2.gz KVVNSXFOSHLANQ-GASCZTMLSA-N 1 0 405.499 2.383 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000611167738 1075866334 /nfs/dbraw/zinc/86/63/34/1075866334.db2.gz NKFZQNYNANFYST-UHFFFAOYSA-N 1 0 402.542 1.835 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000611167701 1075866377 /nfs/dbraw/zinc/86/63/77/1075866377.db2.gz BIRIBGYSKNSDLY-UHFFFAOYSA-N 1 0 414.503 1.913 20 5 HDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244241 1075885799 /nfs/dbraw/zinc/88/57/99/1075885799.db2.gz MOCPVLOMGJHDNU-GUYCJALGSA-N 1 0 419.482 1.345 20 5 HDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)OCCO2 ZINC000732986768 1075939092 /nfs/dbraw/zinc/93/90/92/1075939092.db2.gz KMYRSQKZIWKXNG-UHFFFAOYSA-N 1 0 421.422 1.720 20 5 HDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000727114031 1076047813 /nfs/dbraw/zinc/04/78/13/1076047813.db2.gz NVNPARYOJMXOHU-MRXNPFEDSA-N 1 0 410.496 1.290 20 5 HDBDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000727330281 1076094110 /nfs/dbraw/zinc/09/41/10/1076094110.db2.gz CAFHKVXCNHJONW-UHFFFAOYSA-N 1 0 418.425 1.721 20 5 HDBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000727757710 1076231728 /nfs/dbraw/zinc/23/17/28/1076231728.db2.gz VPLBSODXAGYWRX-UHFFFAOYSA-N 1 0 412.512 1.583 20 5 HDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000733882520 1076238011 /nfs/dbraw/zinc/23/80/11/1076238011.db2.gz QPRFBWSFUJGAOF-MRXNPFEDSA-N 1 0 405.499 1.045 20 5 HDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728072941 1076332986 /nfs/dbraw/zinc/33/29/86/1076332986.db2.gz NHAMQBHDFJJQSC-INIZCTEOSA-N 1 0 402.455 1.003 20 5 HDBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000730268973 1076509278 /nfs/dbraw/zinc/50/92/78/1076509278.db2.gz KLRFKGYYNSNLJT-LLVKDONJSA-N 1 0 421.317 1.272 20 5 HDBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(I)cc1[N+](=O)[O-] ZINC001229941739 1076599812 /nfs/dbraw/zinc/59/98/12/1076599812.db2.gz UGWHDNRALQNBMA-SNVBAGLBSA-N 1 0 409.200 1.562 20 5 HDBDRO Cn1nnc2c1CCN(c1nccc(Cl)c1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164713877 720167359 /nfs/dbraw/zinc/16/73/59/720167359.db2.gz MMPTVUBYEQIUPC-HNNXBMFYSA-N 1 0 421.889 1.988 20 5 HDBDRO Cc1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164714061 720172374 /nfs/dbraw/zinc/17/23/74/720172374.db2.gz NXZJLQPGXLWDBH-INIZCTEOSA-N 1 0 401.471 1.643 20 5 HDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164718364 720185770 /nfs/dbraw/zinc/18/57/70/720185770.db2.gz PDJWXFRJOYDBEE-QGZVFWFLSA-N 1 0 415.498 1.951 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C2 ZINC001164814603 720198911 /nfs/dbraw/zinc/19/89/11/720198911.db2.gz VDBQSBDMSAKLJV-OXQOHEQNSA-N 1 0 418.498 1.836 20 5 HDBDRO Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164715251 720202593 /nfs/dbraw/zinc/20/25/93/720202593.db2.gz KEFNKBZLICZEFN-INIZCTEOSA-N 1 0 402.459 1.038 20 5 HDBDRO COc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164736894 720701934 /nfs/dbraw/zinc/70/19/34/720701934.db2.gz CCANXTIHMBLNFA-ZIAGYGMSSA-N 1 0 423.433 1.679 20 5 HDBDRO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164738777 720817373 /nfs/dbraw/zinc/81/73/73/720817373.db2.gz GLGUWVMPVFBYEY-YESZJQIVSA-N 1 0 413.482 1.969 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870090 721054727 /nfs/dbraw/zinc/05/47/27/721054727.db2.gz VQWXXTJZRLSZNF-SJORKVTESA-N 1 0 413.434 1.651 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766637 721082649 /nfs/dbraw/zinc/08/26/49/721082649.db2.gz LBKMLLVXHUQMOI-HUUCEWRRSA-N 1 0 400.439 1.468 20 5 HDBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164865546 721099190 /nfs/dbraw/zinc/09/91/90/721099190.db2.gz MOWDTLMPCKKOCW-CVEARBPZSA-N 1 0 413.434 1.651 20 5 HDBDRO COc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164766359 721129101 /nfs/dbraw/zinc/12/91/01/721129101.db2.gz KRNJMJPASOULDV-ZIAGYGMSSA-N 1 0 403.443 1.094 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975767 722118395 /nfs/dbraw/zinc/11/83/95/722118395.db2.gz KYLONBXQXMZWEG-CVEARBPZSA-N 1 0 400.439 1.516 20 5 HDBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000489793480 1073590726 /nfs/dbraw/zinc/59/07/26/1073590726.db2.gz CMSZYZQSVVRRJL-FUHWJXTLSA-N 1 0 403.483 1.935 20 5 HDBDRO COC(=O)c1cc(C)nc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561257505 1074806287 /nfs/dbraw/zinc/80/62/87/1074806287.db2.gz DNTVTTZIKNZJOF-CVEARBPZSA-N 1 0 400.435 2.132 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000731620581 1075416462 /nfs/dbraw/zinc/41/64/62/1075416462.db2.gz ZSHLFZDRLIDAGU-INIZCTEOSA-N 1 0 421.450 1.508 20 5 HDBDRO CN(c1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000731662953 1075452661 /nfs/dbraw/zinc/45/26/61/1075452661.db2.gz KFCRGCHKJKNYOD-UHFFFAOYSA-N 1 0 409.918 1.923 20 5 HDBDRO CN(C[C@H](O)C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611203641 1075877443 /nfs/dbraw/zinc/87/74/43/1075877443.db2.gz FFSNLRDTOODVNP-KRWDZBQOSA-N 1 0 400.501 1.032 20 5 HDBDRO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000611276789 1075890308 /nfs/dbraw/zinc/89/03/08/1075890308.db2.gz LAKAGUZCQFIIIQ-CALCHBBNSA-N 1 0 420.466 1.505 20 5 HDBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000611546235 1075960243 /nfs/dbraw/zinc/96/02/43/1075960243.db2.gz OUBFQJXUHCAPHJ-UHFFFAOYSA-N 1 0 424.373 1.914 20 5 HDBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733164257 1075997812 /nfs/dbraw/zinc/99/78/12/1075997812.db2.gz NQSKTSIDHBDFCY-UHFFFAOYSA-N 1 0 419.526 1.529 20 5 HDBDRO Cc1c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000733167764 1075998694 /nfs/dbraw/zinc/99/86/94/1075998694.db2.gz DWNMUJMRKQXOKZ-UHFFFAOYSA-N 1 0 421.454 1.650 20 5 HDBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000730644981 1076623168 /nfs/dbraw/zinc/62/31/68/1076623168.db2.gz RALURMOMKVTACV-CYBMUJFWSA-N 1 0 413.858 1.878 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164637936 719258442 /nfs/dbraw/zinc/25/84/42/719258442.db2.gz XGQGFBHBPXXOCJ-CHWSQXEVSA-N 1 0 408.455 1.728 20 5 HDBDRO CCOC(=O)c1ccnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164680588 719646715 /nfs/dbraw/zinc/64/67/15/719646715.db2.gz XBDUNALQLAMLRM-UHFFFAOYSA-N 1 0 402.455 1.838 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833013 720327021 /nfs/dbraw/zinc/32/70/21/720327021.db2.gz VRTHFBUYGJLKHF-MSOLQXFVSA-N 1 0 403.483 1.448 20 5 HDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001164832450 720327251 /nfs/dbraw/zinc/32/72/51/720327251.db2.gz TYSYMZXWPBUBHX-CVEARBPZSA-N 1 0 423.901 1.793 20 5 HDBDRO COC(=O)c1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164728822 720570291 /nfs/dbraw/zinc/57/02/91/720570291.db2.gz MRPGUQMBTCXHGF-UHFFFAOYSA-N 1 0 400.439 1.631 20 5 HDBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164752770 720800265 /nfs/dbraw/zinc/80/02/65/720800265.db2.gz ZSQJSJCTZZAKIF-UONOGXRCSA-N 1 0 414.422 1.298 20 5 HDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852871 720838076 /nfs/dbraw/zinc/83/80/76/720838076.db2.gz MEDSXGFQITZEHB-NEPJUHHUSA-N 1 0 417.919 1.934 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866759 721190851 /nfs/dbraw/zinc/19/08/51/721190851.db2.gz CPNBVCPHJCVLPN-HOTGVXAUSA-N 1 0 413.434 1.651 20 5 HDBDRO COc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(OC)c1[N+](=O)[O-] ZINC001165002860 722253440 /nfs/dbraw/zinc/25/34/40/722253440.db2.gz VAJGELBZFIHSDD-UHFFFAOYSA-N 1 0 421.458 1.087 20 5 HDBDRO Cc1cc(N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302076038 1073582908 /nfs/dbraw/zinc/58/29/08/1073582908.db2.gz JDZPJKDSIJBSHC-MRXNPFEDSA-N 1 0 413.478 1.821 20 5 HDBDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3S(C)(=O)=O)cn2)CC1 ZINC000302619071 1073612866 /nfs/dbraw/zinc/61/28/66/1073612866.db2.gz DTEQVOFCPJUKIF-UHFFFAOYSA-N 1 0 405.480 1.757 20 5 HDBDRO CCn1c(CC[NH3+])nnc1Sc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000750030246 1074755300 /nfs/dbraw/zinc/75/53/00/1074755300.db2.gz RGTROQYKOITRJP-UHFFFAOYSA-N 1 0 407.424 1.855 20 5 HDBDRO COC(=O)c1cn(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000546811063 1075350321 /nfs/dbraw/zinc/35/03/21/1075350321.db2.gz TVCWCKGIXMNUCR-AWEZNQCLSA-N 1 0 405.411 1.050 20 5 HDBDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000611076214 1075828501 /nfs/dbraw/zinc/82/85/01/1075828501.db2.gz PQWBEYRAWQJANW-IBGZPJMESA-N 1 0 413.478 1.683 20 5 HDBDRO CN(C[C@H]1CCC[C@H]1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611104594 1075836736 /nfs/dbraw/zinc/83/67/36/1075836736.db2.gz SSPSZZCHFLZMFI-RDTXWAMCSA-N 1 0 414.528 1.422 20 5 HDBDRO CNS(=O)(=O)c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000466656063 1075845953 /nfs/dbraw/zinc/84/59/53/1075845953.db2.gz VCNQCBMGWQBPJX-UHFFFAOYSA-N 1 0 412.512 1.584 20 5 HDBDRO Cc1ccccc1[C@@H](O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000732805085 1075862356 /nfs/dbraw/zinc/86/23/56/1075862356.db2.gz CFHXYFGJHULJJD-IBGZPJMESA-N 1 0 422.507 1.889 20 5 HDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000611151261 1075862921 /nfs/dbraw/zinc/86/29/21/1075862921.db2.gz USBHHXABMCTBFR-INIZCTEOSA-N 1 0 401.467 1.141 20 5 HDBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)CC1 ZINC000732781498 1075865061 /nfs/dbraw/zinc/86/50/61/1075865061.db2.gz RJMZGXMTMWRVLJ-INIZCTEOSA-N 1 0 417.510 1.330 20 5 HDBDRO COC(=O)CNC(=O)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611166299 1075865622 /nfs/dbraw/zinc/86/56/22/1075865622.db2.gz JRPJGSSALNDABJ-HNNXBMFYSA-N 1 0 406.439 1.163 20 5 HDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000611206592 1075873873 /nfs/dbraw/zinc/87/38/73/1075873873.db2.gz OAHIESCNBIMXBH-OAHLLOKOSA-N 1 0 408.524 1.843 20 5 HDBDRO CCOc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000611272160 1075889816 /nfs/dbraw/zinc/88/98/16/1075889816.db2.gz MPIHQQBVFNNLDJ-IYBDPMFKSA-N 1 0 406.439 1.115 20 5 HDBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1 ZINC000611336000 1075910883 /nfs/dbraw/zinc/91/08/83/1075910883.db2.gz IMQDIXIDEZBQCX-CYBMUJFWSA-N 1 0 417.451 1.200 20 5 HDBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000733156781 1075989536 /nfs/dbraw/zinc/98/95/36/1075989536.db2.gz OWYIVOSMOBHSQQ-FQEVSTJZSA-N 1 0 419.526 1.433 20 5 HDBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733158065 1075991836 /nfs/dbraw/zinc/99/18/36/1075991836.db2.gz JTIYKBJAOOZQQL-SFHVURJKSA-N 1 0 419.482 1.154 20 5 HDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000733850446 1076227411 /nfs/dbraw/zinc/22/74/11/1076227411.db2.gz MZVHVRGFROPFPX-UHFFFAOYSA-N 1 0 421.417 1.463 20 5 HDBDRO O=C(C[NH2+]C1(CO)Cc2ccccc2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000734001925 1076289032 /nfs/dbraw/zinc/28/90/32/1076289032.db2.gz IFTJDTPPLAAAEM-UHFFFAOYSA-N 1 0 410.474 1.363 20 5 HDBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@@H]([NH+]3CCCCC3)C2)C1=O ZINC000730804309 1076656158 /nfs/dbraw/zinc/65/61/58/1076656158.db2.gz GFQQQSGHYGTWNX-YLJYHZDGSA-N 1 0 401.467 1.880 20 5 HDBDRO Cn1nnc2c1CCN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164713434 720167201 /nfs/dbraw/zinc/16/72/01/720167201.db2.gz KGRRKNGOICMRMA-INIZCTEOSA-N 1 0 421.889 1.988 20 5 HDBDRO COc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001164719586 720179660 /nfs/dbraw/zinc/17/96/60/720179660.db2.gz WLAXTBIPELVEGG-QGZVFWFLSA-N 1 0 417.470 1.343 20 5 HDBDRO COc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164823920 720303860 /nfs/dbraw/zinc/30/38/60/720303860.db2.gz QRTYITFZKBUDRH-HZPDHXFCSA-N 1 0 403.483 1.910 20 5 HDBDRO COc1cnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164821421 720315014 /nfs/dbraw/zinc/31/50/14/720315014.db2.gz KOIAWAIIMPHKCD-SJORKVTESA-N 1 0 403.483 1.910 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164833309 720318560 /nfs/dbraw/zinc/31/85/60/720318560.db2.gz VWZCFEIARROEPD-HOTGVXAUSA-N 1 0 418.498 1.613 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833016 720327521 /nfs/dbraw/zinc/32/75/21/720327521.db2.gz VRTHFBUYGJLKHF-ZWKOTPCHSA-N 1 0 403.483 1.448 20 5 HDBDRO COC(=O)c1nc(Cl)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164727945 720509219 /nfs/dbraw/zinc/50/92/19/720509219.db2.gz FCKPJMLYRSYTEY-JTQLQIEISA-N 1 0 409.834 1.219 20 5 HDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164741365 720592962 /nfs/dbraw/zinc/59/29/62/720592962.db2.gz KWEHOJMWOVPVDK-UHFFFAOYSA-N 1 0 414.470 1.507 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164739049 720596445 /nfs/dbraw/zinc/59/64/45/720596445.db2.gz DMKKDVSJQPSLKM-UHFFFAOYSA-N 1 0 400.439 1.631 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746834 720730422 /nfs/dbraw/zinc/73/04/22/720730422.db2.gz YSJLZTDEZONOBJ-HUUCEWRRSA-N 1 0 414.422 1.298 20 5 HDBDRO COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164742208 720824038 /nfs/dbraw/zinc/82/40/38/720824038.db2.gz QBOQEKPMIDQUSI-YESZJQIVSA-N 1 0 413.482 1.969 20 5 HDBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164865548 721099493 /nfs/dbraw/zinc/09/94/93/721099493.db2.gz MOWDTLMPCKKOCW-HZPDHXFCSA-N 1 0 413.434 1.651 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC2)C1 ZINC001164875657 721277218 /nfs/dbraw/zinc/27/72/18/721277218.db2.gz YSPMSYFYSLIKEH-UHFFFAOYSA-N 1 0 416.482 1.478 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC2)C1 ZINC001164872466 721280651 /nfs/dbraw/zinc/28/06/51/721280651.db2.gz DPIKQMDUTGGCKZ-UHFFFAOYSA-N 1 0 416.482 1.478 20 5 HDBDRO COc1ncnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886552 721411140 /nfs/dbraw/zinc/41/11/40/721411140.db2.gz JVPUWKPAZOGSNO-DNVCBOLYSA-N 1 0 406.487 1.159 20 5 HDBDRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164984289 722099356 /nfs/dbraw/zinc/09/93/56/722099356.db2.gz SBWATHOUESSCDS-WBVHZDCISA-N 1 0 400.439 1.516 20 5 HDBDRO C[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000302112666 1073584973 /nfs/dbraw/zinc/58/49/73/1073584973.db2.gz AZWOPMJRDXHHRP-HNNXBMFYSA-N 1 0 419.507 1.865 20 5 HDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302153107 1073587364 /nfs/dbraw/zinc/58/73/64/1073587364.db2.gz VAQZQCZHCIQYTG-GASCZTMLSA-N 1 0 411.528 1.237 20 5 HDBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000303218027 1073686886 /nfs/dbraw/zinc/68/68/86/1073686886.db2.gz UJPRQHIFWXWCSL-UHFFFAOYSA-N 1 0 416.482 1.935 20 5 HDBDRO C[C@@H](CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])Cn1cccn1 ZINC000303479775 1073738926 /nfs/dbraw/zinc/73/89/26/1073738926.db2.gz SRNVTNSIMBZTJN-AWEZNQCLSA-N 1 0 410.500 1.379 20 5 HDBDRO CC(C)[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](C)CC1 ZINC000303583433 1073756321 /nfs/dbraw/zinc/75/63/21/1073756321.db2.gz NBZFXWVECTZGNU-LJQANCHMSA-N 1 0 400.483 1.782 20 5 HDBDRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000502000117 1073799966 /nfs/dbraw/zinc/79/99/66/1073799966.db2.gz BWPPYPSAGAIEGT-NEPJUHHUSA-N 1 0 415.288 1.683 20 5 HDBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000427579399 1075329810 /nfs/dbraw/zinc/32/98/10/1075329810.db2.gz KRLXQWXFPYAXLI-CQSZACIVSA-N 1 0 414.466 2.182 20 5 HDBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000429389285 1075331451 /nfs/dbraw/zinc/33/14/51/1075331451.db2.gz UVJNZAYXQHMEDP-ZBFHGGJFSA-N 1 0 412.512 1.392 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000731620582 1075416570 /nfs/dbraw/zinc/41/65/70/1075416570.db2.gz ZSHLFZDRLIDAGU-MRXNPFEDSA-N 1 0 421.450 1.508 20 5 HDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732065274 1075599935 /nfs/dbraw/zinc/59/99/35/1075599935.db2.gz YIODGECCTPVEIH-BFHYXJOUSA-N 1 0 408.480 1.240 20 5 HDBDRO CCOc1cc(N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000480847194 1075654999 /nfs/dbraw/zinc/65/49/99/1075654999.db2.gz BEMYVRWFAWUSDB-UHFFFAOYSA-N 1 0 410.438 1.878 20 5 HDBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000732763206 1075847422 /nfs/dbraw/zinc/84/74/22/1075847422.db2.gz AIIDYGDZEQHMBQ-UHFFFAOYSA-N 1 0 415.406 1.724 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)CC1 ZINC000611166154 1075865199 /nfs/dbraw/zinc/86/51/99/1075865199.db2.gz TXDAIXULVNBWBS-UHFFFAOYSA-N 1 0 411.528 1.237 20 5 HDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000611244212 1075885730 /nfs/dbraw/zinc/88/57/30/1075885730.db2.gz JLSUPJCQBODOEY-RDTXWAMCSA-N 1 0 403.483 1.644 20 5 HDBDRO Cc1c(NC(=O)[C@H](C)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000611244209 1075885764 /nfs/dbraw/zinc/88/57/64/1075885764.db2.gz JLSUPJCQBODOEY-KBXCAEBGSA-N 1 0 403.483 1.644 20 5 HDBDRO CCC1(O)CCC(Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000611306249 1075896242 /nfs/dbraw/zinc/89/62/42/1075896242.db2.gz BBXZNYBAWTXMFL-UHFFFAOYSA-N 1 0 414.528 1.930 20 5 HDBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611471530 1075942472 /nfs/dbraw/zinc/94/24/72/1075942472.db2.gz VSPPTAMESFHVJU-UHFFFAOYSA-N 1 0 413.496 1.906 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000733155683 1075988876 /nfs/dbraw/zinc/98/88/76/1075988876.db2.gz DLWQSLPWMWHGNY-UHFFFAOYSA-N 1 0 409.439 1.364 20 5 HDBDRO C[NH+](C)CCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000733367532 1076055326 /nfs/dbraw/zinc/05/53/26/1076055326.db2.gz OIZZLXSXTCJIJW-ZDUSSCGKSA-N 1 0 414.440 1.084 20 5 HDBDRO C[NH+](C)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000733367632 1076055386 /nfs/dbraw/zinc/05/53/86/1076055386.db2.gz QQJXVBVQYWFHHP-ZDUSSCGKSA-N 1 0 403.888 1.829 20 5 HDBDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC001176600971 1126150530 /nfs/dbraw/zinc/15/05/30/1126150530.db2.gz XDUJLTPIRXFDFN-FQEVSTJZSA-N 1 0 403.435 1.794 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C2 ZINC001164809603 720114356 /nfs/dbraw/zinc/11/43/56/720114356.db2.gz HMYGKLNRBONGEK-IFXJQAMLSA-N 1 0 407.471 1.587 20 5 HDBDRO Cc1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001164714062 720172668 /nfs/dbraw/zinc/17/26/68/720172668.db2.gz NXZJLQPGXLWDBH-MRXNPFEDSA-N 1 0 401.471 1.643 20 5 HDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740857 720631006 /nfs/dbraw/zinc/63/10/06/720631006.db2.gz JLIVKXROZZLLGJ-MNOVXSKESA-N 1 0 423.886 1.892 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743120 720836635 /nfs/dbraw/zinc/83/66/35/720836635.db2.gz ISMAUZCOSZWVSF-JENIJYKNSA-N 1 0 413.482 1.508 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)CC[C@H]2C1 ZINC001164856602 720873279 /nfs/dbraw/zinc/87/32/79/720873279.db2.gz IKSVZSKFVLGVDF-PDGPTWFESA-N 1 0 405.499 1.696 20 5 HDBDRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164863564 721086743 /nfs/dbraw/zinc/08/67/43/721086743.db2.gz CWSPKQJNFJUESA-LSDHHAIUSA-N 1 0 416.438 1.277 20 5 HDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164761921 721231359 /nfs/dbraw/zinc/23/13/59/721231359.db2.gz KIMIQATWXVMZNK-JKSUJKDBSA-N 1 0 414.466 1.858 20 5 HDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1 ZINC001164874417 721275588 /nfs/dbraw/zinc/27/55/88/721275588.db2.gz RCVYOPSSSZYASS-UHFFFAOYSA-N 1 0 405.499 1.614 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884563 721410903 /nfs/dbraw/zinc/41/09/03/721410903.db2.gz DXBAPJNFTKDJNH-JXFKEZNVSA-N 1 0 420.514 1.467 20 5 HDBDRO CC(C)Oc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1[N+](=O)[O-] ZINC001164795925 721520084 /nfs/dbraw/zinc/52/00/84/721520084.db2.gz UYSZPQHRIZTIIZ-UHFFFAOYSA-N 1 0 415.498 1.741 20 5 HDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164902978 721533386 /nfs/dbraw/zinc/53/33/86/721533386.db2.gz BNRPBTTUDHFSGN-ZFWWWQNUSA-N 1 0 419.413 1.883 20 5 HDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000489811462 1073593368 /nfs/dbraw/zinc/59/33/68/1073593368.db2.gz YPKMZFWIDQVDMI-KGLIPLIRSA-N 1 0 409.512 1.997 20 5 HDBDRO O=c1[nH]c(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000553022626 1075291840 /nfs/dbraw/zinc/29/18/40/1075291840.db2.gz ZMMURKOIPWYCIF-UHFFFAOYSA-N 1 0 424.465 2.048 20 5 HDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000731500493 1075368970 /nfs/dbraw/zinc/36/89/70/1075368970.db2.gz IRGIZVWTYHUGRV-QGZVFWFLSA-N 1 0 400.439 1.549 20 5 HDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001129186477 1075399417 /nfs/dbraw/zinc/39/94/17/1075399417.db2.gz ZYVGIEXMRJRNMA-JLSDUUJJSA-N 1 0 422.507 1.301 20 5 HDBDRO O=Cc1ccc(OCC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000731621473 1075416436 /nfs/dbraw/zinc/41/64/36/1075416436.db2.gz IWKCOTWDNSLONX-UHFFFAOYSA-N 1 0 405.451 1.747 20 5 HDBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000547764421 1075654517 /nfs/dbraw/zinc/65/45/17/1075654517.db2.gz ZJSMDJKTHHWSJK-UHFFFAOYSA-N 1 0 400.439 1.975 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087673 1075827178 /nfs/dbraw/zinc/82/71/78/1075827178.db2.gz CARVFQKCIVSRDY-RHSMWYFYSA-N 1 0 410.496 1.301 20 5 HDBDRO CCn1cc(S(=O)(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000611105472 1075837927 /nfs/dbraw/zinc/83/79/27/1075837927.db2.gz SNMSJMDDLCMSMM-MRXNPFEDSA-N 1 0 407.496 1.654 20 5 HDBDRO CNc1nccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000553302410 1075853271 /nfs/dbraw/zinc/85/32/71/1075853271.db2.gz DMTDXAXCPSMEPL-GOSISDBHSA-N 1 0 412.494 2.140 20 5 HDBDRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000611218396 1075878549 /nfs/dbraw/zinc/87/85/49/1075878549.db2.gz JPYHBMFHCXGPDP-UHFFFAOYSA-N 1 0 400.273 1.815 20 5 HDBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)C1 ZINC000611462392 1075936623 /nfs/dbraw/zinc/93/66/23/1075936623.db2.gz YNOSPCORYWBOTK-QGZVFWFLSA-N 1 0 417.510 1.283 20 5 HDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733157822 1075990000 /nfs/dbraw/zinc/99/00/00/1075990000.db2.gz GDLIUYCKQTUECZ-GOSISDBHSA-N 1 0 418.494 1.805 20 5 HDBDRO C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000733306947 1076034267 /nfs/dbraw/zinc/03/42/67/1076034267.db2.gz NQUBQKPZFFMAKR-LLVKDONJSA-N 1 0 416.438 1.418 20 5 HDBDRO Cn1nnc2c1CCN(c1nc(Cl)ncc1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164712467 720166947 /nfs/dbraw/zinc/16/69/47/720166947.db2.gz GWWJJLLFWVHROV-AWEZNQCLSA-N 1 0 422.877 1.383 20 5 HDBDRO Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001164714499 720168144 /nfs/dbraw/zinc/16/81/44/720168144.db2.gz PUZLRJMCUGMYBO-KRWDZBQOSA-N 1 0 401.471 1.643 20 5 HDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ncc1[N+](=O)[O-])CCC2 ZINC001164812817 720210778 /nfs/dbraw/zinc/21/07/78/720210778.db2.gz MJGMEIQOJWTDMN-UHFFFAOYSA-N 1 0 407.862 1.845 20 5 HDBDRO COc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ncc1[N+](=O)[O-] ZINC001164814737 720219007 /nfs/dbraw/zinc/21/90/07/720219007.db2.gz XJYANEGDVDVIBO-UHFFFAOYSA-N 1 0 402.455 1.806 20 5 HDBDRO COc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(OC)c1[N+](=O)[O-] ZINC001164729732 720564092 /nfs/dbraw/zinc/56/40/92/720564092.db2.gz UIRRQZNAALHTIC-UHFFFAOYSA-N 1 0 403.443 1.257 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746833 720730769 /nfs/dbraw/zinc/73/07/69/720730769.db2.gz YSJLZTDEZONOBJ-GJZGRUSLSA-N 1 0 414.422 1.298 20 5 HDBDRO COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164742202 720824045 /nfs/dbraw/zinc/82/40/45/720824045.db2.gz QBOQEKPMIDQUSI-BRWVUGGUSA-N 1 0 413.482 1.969 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743125 720837555 /nfs/dbraw/zinc/83/75/55/720837555.db2.gz ISMAUZCOSZWVSF-ZIFCJYIRSA-N 1 0 413.482 1.508 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164860959 720857082 /nfs/dbraw/zinc/85/70/82/720857082.db2.gz XMODXEGKMSJDLQ-IFXJQAMLSA-N 1 0 417.466 1.720 20 5 HDBDRO COC(=O)c1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164761684 721103745 /nfs/dbraw/zinc/10/37/45/721103745.db2.gz AFXXGKSZCIGSBI-HOCLYGCPSA-N 1 0 400.439 1.468 20 5 HDBDRO COc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164766358 721130575 /nfs/dbraw/zinc/13/05/75/721130575.db2.gz KRNJMJPASOULDV-UONOGXRCSA-N 1 0 403.443 1.094 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011431 721741648 /nfs/dbraw/zinc/74/16/48/721741648.db2.gz XGONBSBFPGBSHU-UHFFFAOYSA-N 1 0 419.482 1.690 20 5 HDBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164925398 721849794 /nfs/dbraw/zinc/84/97/94/721849794.db2.gz FEOJSMBDJZWTAP-NWDGAFQWSA-N 1 0 412.878 1.430 20 5 HDBDRO NS(=O)(=O)c1c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000555650174 1073461683 /nfs/dbraw/zinc/46/16/83/1073461683.db2.gz CYSSRBKFBJDEMP-MRXNPFEDSA-N 1 0 420.491 1.945 20 5 HDBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)c2)C1 ZINC000302017417 1073580464 /nfs/dbraw/zinc/58/04/64/1073580464.db2.gz ZADYAWDHMSNYLN-INIZCTEOSA-N 1 0 409.450 1.947 20 5 HDBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000489793481 1073590951 /nfs/dbraw/zinc/59/09/51/1073590951.db2.gz CMSZYZQSVVRRJL-SJLPKXTDSA-N 1 0 403.483 1.935 20 5 HDBDRO Cc1nn(CCC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000303949414 1073793085 /nfs/dbraw/zinc/79/30/85/1073793085.db2.gz HVABEGJALGYQEA-UHFFFAOYSA-N 1 0 406.531 1.865 20 5 HDBDRO Cc1cc(NC(=O)C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000543141044 1074819637 /nfs/dbraw/zinc/81/96/37/1074819637.db2.gz FCSBWBNASOAYEN-OAHLLOKOSA-N 1 0 404.423 1.982 20 5 HDBDRO Cc1cc(NC(=O)CC[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000460355477 1075095688 /nfs/dbraw/zinc/09/56/88/1075095688.db2.gz XGSYGIDOCDILKD-UHFFFAOYSA-N 1 0 413.438 2.308 20 5 HDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000437048865 1075163480 /nfs/dbraw/zinc/16/34/80/1075163480.db2.gz GCYVFCNLNTYZTH-UHFFFAOYSA-N 1 0 406.402 2.305 20 5 HDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000731500492 1075369149 /nfs/dbraw/zinc/36/91/49/1075369149.db2.gz IRGIZVWTYHUGRV-KRWDZBQOSA-N 1 0 400.439 1.549 20 5 HDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731640384 1075441586 /nfs/dbraw/zinc/44/15/86/1075441586.db2.gz ZVCBYZOXTRDOCI-QGZVFWFLSA-N 1 0 404.467 1.415 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088299 1075827977 /nfs/dbraw/zinc/82/79/77/1075827977.db2.gz OJFTVXCMFVRSBN-YJBOKZPZSA-N 1 0 424.523 1.691 20 5 HDBDRO NC(=O)c1ccnc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000579902119 1075846721 /nfs/dbraw/zinc/84/67/21/1075846721.db2.gz SCWPKFRUAGCNLZ-UHFFFAOYSA-N 1 0 413.478 2.572 20 5 HDBDRO NC(=O)c1ccnc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000566041579 1075846799 /nfs/dbraw/zinc/84/67/99/1075846799.db2.gz PHCOHSYBGVYHQH-UHFFFAOYSA-N 1 0 418.885 2.366 20 5 HDBDRO COCCNC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611253679 1075889543 /nfs/dbraw/zinc/88/95/43/1075889543.db2.gz CLVONBKFWNQEDQ-UHFFFAOYSA-N 1 0 401.467 1.970 20 5 HDBDRO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611462179 1075936714 /nfs/dbraw/zinc/93/67/14/1075936714.db2.gz NXGNTTQJDHGMMV-KRWDZBQOSA-N 1 0 418.494 1.758 20 5 HDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000611475378 1075943290 /nfs/dbraw/zinc/94/32/90/1075943290.db2.gz XUBIBVCFZLUVIT-PBFPGSCMSA-N 1 0 400.439 1.829 20 5 HDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000611475219 1075943401 /nfs/dbraw/zinc/94/34/01/1075943401.db2.gz DVXAIJYQQODCFY-VPZZIHKRSA-N 1 0 403.439 1.622 20 5 HDBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733158064 1075991787 /nfs/dbraw/zinc/99/17/87/1075991787.db2.gz JTIYKBJAOOZQQL-GOSISDBHSA-N 1 0 419.482 1.154 20 5 HDBDRO Cc1c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000733169208 1076000204 /nfs/dbraw/zinc/00/02/04/1076000204.db2.gz WIPVZLSDWZBSRO-UHFFFAOYSA-N 1 0 407.427 1.341 20 5 HDBDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000727333601 1076095197 /nfs/dbraw/zinc/09/51/97/1076095197.db2.gz JHKPIGWMKSGJPH-UHFFFAOYSA-N 1 0 415.406 1.724 20 5 HDBDRO Cc1ncc([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164716522 720179298 /nfs/dbraw/zinc/17/92/98/720179298.db2.gz GMIHEDBWHMZOOS-INIZCTEOSA-N 1 0 402.459 1.038 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C2 ZINC001164814602 720199461 /nfs/dbraw/zinc/19/94/61/720199461.db2.gz VDBQSBDMSAKLJV-OXJNMPFZSA-N 1 0 418.498 1.836 20 5 HDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164825094 720290723 /nfs/dbraw/zinc/29/07/23/720290723.db2.gz SJMUULMDYZKSFA-KBPBESRZSA-N 1 0 408.890 1.950 20 5 HDBDRO COc1ncnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164828453 720318405 /nfs/dbraw/zinc/31/84/05/720318405.db2.gz JNPQIDUWJZCEOW-CABCVRRESA-N 1 0 404.471 1.305 20 5 HDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740862 720630488 /nfs/dbraw/zinc/63/04/88/720630488.db2.gz JLIVKXROZZLLGJ-WDEREUQCSA-N 1 0 423.886 1.892 20 5 HDBDRO CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164738408 720709257 /nfs/dbraw/zinc/70/92/57/720709257.db2.gz JIDLYCWEPUFSPG-WDEREUQCSA-N 1 0 423.886 1.892 20 5 HDBDRO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164738774 720817282 /nfs/dbraw/zinc/81/72/82/720817282.db2.gz GLGUWVMPVFBYEY-BRWVUGGUSA-N 1 0 413.482 1.969 20 5 HDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164857710 720886139 /nfs/dbraw/zinc/88/61/39/720886139.db2.gz KLGVVKFQTJMQSH-GDBMZVCRSA-N 1 0 408.455 1.340 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164751649 720962053 /nfs/dbraw/zinc/96/20/53/720962053.db2.gz RJBXUXUFOIXOJJ-UHFFFAOYSA-N 1 0 410.434 1.985 20 5 HDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164902976 721533038 /nfs/dbraw/zinc/53/30/38/721533038.db2.gz BNRPBTTUDHFSGN-HIFRSBDPSA-N 1 0 419.413 1.883 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001165035853 721899717 /nfs/dbraw/zinc/89/97/17/721899717.db2.gz DMTSXCMVUVVUEG-CYBMUJFWSA-N 1 0 408.455 1.730 20 5 HDBDRO COc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164958710 722051809 /nfs/dbraw/zinc/05/18/09/722051809.db2.gz FLRCROIHZOZGJS-UHFFFAOYSA-N 1 0 414.466 1.907 20 5 HDBDRO COc1cc(C)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001165000569 722253109 /nfs/dbraw/zinc/25/31/09/722253109.db2.gz SIKUDNZWKYYHRY-UHFFFAOYSA-N 1 0 404.471 1.992 20 5 HDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302685148 1073617988 /nfs/dbraw/zinc/61/79/88/1073617988.db2.gz YBJSKYYQDXLXRE-IYBDPMFKSA-N 1 0 410.540 1.993 20 5 HDBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC)c1 ZINC000303053965 1073656878 /nfs/dbraw/zinc/65/68/78/1073656878.db2.gz WDDCHQCWVMDMOK-SFHVURJKSA-N 1 0 402.451 1.964 20 5 HDBDRO CC(C)[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](C)CC1 ZINC000303583432 1073756412 /nfs/dbraw/zinc/75/64/12/1073756412.db2.gz NBZFXWVECTZGNU-IBGZPJMESA-N 1 0 400.483 1.782 20 5 HDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000216225090 1073773829 /nfs/dbraw/zinc/77/38/29/1073773829.db2.gz MCHUGLRFZTVMNN-UHFFFAOYSA-N 1 0 404.492 1.691 20 5 HDBDRO Cc1c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000467558742 1075147205 /nfs/dbraw/zinc/14/72/05/1075147205.db2.gz CGQQHDZSMFFVMR-UHFFFAOYSA-N 1 0 412.512 1.743 20 5 HDBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000429389281 1075331474 /nfs/dbraw/zinc/33/14/74/1075331474.db2.gz UVJNZAYXQHMEDP-GOEBONIOSA-N 1 0 412.512 1.392 20 5 HDBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000731466237 1075356812 /nfs/dbraw/zinc/35/68/12/1075356812.db2.gz DLMVKPMCVRTOQN-CQSZACIVSA-N 1 0 408.414 1.710 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000731610262 1075399153 /nfs/dbraw/zinc/39/91/53/1075399153.db2.gz JNSXGMVWVYYHHR-UHFFFAOYSA-N 1 0 421.450 1.366 20 5 HDBDRO C[NH+]1CCN(c2cc(CNC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])ccn2)CC1 ZINC000731610694 1075400036 /nfs/dbraw/zinc/40/00/36/1075400036.db2.gz XDWHVCDVFGQCCF-UHFFFAOYSA-N 1 0 413.434 1.249 20 5 HDBDRO CN1CCC([NH+]2CCC(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000731623023 1075417807 /nfs/dbraw/zinc/41/78/07/1075417807.db2.gz XEUBUCJWVBWUEW-UHFFFAOYSA-N 1 0 404.467 1.461 20 5 HDBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000732049172 1075607803 /nfs/dbraw/zinc/60/78/03/1075607803.db2.gz XSQIHYPUOPCVJY-UHFFFAOYSA-N 1 0 406.455 1.665 20 5 HDBDRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)n2)CC1 ZINC000519798514 1075778847 /nfs/dbraw/zinc/77/88/47/1075778847.db2.gz MGXUDBVEOKNESY-UHFFFAOYSA-N 1 0 412.450 1.581 20 5 HDBDRO CNc1nccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000561142229 1075853348 /nfs/dbraw/zinc/85/33/48/1075853348.db2.gz SJATXHRIPPLOJS-UHFFFAOYSA-N 1 0 412.494 1.969 20 5 HDBDRO C[C@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000611468222 1075942515 /nfs/dbraw/zinc/94/25/15/1075942515.db2.gz ZXMGQFQZILKCTF-SUMWQHHRSA-N 1 0 400.501 1.804 20 5 HDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733170712 1076000958 /nfs/dbraw/zinc/00/09/58/1076000958.db2.gz QMXCTRDJLGGWEP-KRWDZBQOSA-N 1 0 419.526 1.435 20 5 HDBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000727106062 1076052620 /nfs/dbraw/zinc/05/26/20/1076052620.db2.gz XDELVUQZAYMZFU-UHFFFAOYSA-N 1 0 406.483 1.662 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C2 ZINC001164809602 720113560 /nfs/dbraw/zinc/11/35/60/720113560.db2.gz HMYGKLNRBONGEK-AUUYWEPGSA-N 1 0 407.471 1.587 20 5 HDBDRO Cn1nnc2c1CCN(c1cc([N+](=O)[O-])cc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713379 720166455 /nfs/dbraw/zinc/16/64/55/720166455.db2.gz JLPYWPFJWSNNNG-HNNXBMFYSA-N 1 0 421.889 1.988 20 5 HDBDRO Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001164714501 720167734 /nfs/dbraw/zinc/16/77/34/720167734.db2.gz PUZLRJMCUGMYBO-QGZVFWFLSA-N 1 0 401.471 1.643 20 5 HDBDRO COc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001164719585 720179919 /nfs/dbraw/zinc/17/99/19/720179919.db2.gz WLAXTBIPELVEGG-KRWDZBQOSA-N 1 0 417.470 1.343 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C2 ZINC001164814604 720199026 /nfs/dbraw/zinc/19/90/26/720199026.db2.gz VDBQSBDMSAKLJV-UZLBHIALSA-N 1 0 418.498 1.836 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC001164814662 720202391 /nfs/dbraw/zinc/20/23/91/720202391.db2.gz VVSIOPQFJKQGJN-YWZLYKJASA-N 1 0 404.467 1.961 20 5 HDBDRO COc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164823918 720303828 /nfs/dbraw/zinc/30/38/28/720303828.db2.gz QRTYITFZKBUDRH-CVEARBPZSA-N 1 0 403.483 1.910 20 5 HDBDRO CN(C)/C=C/c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164738567 720756766 /nfs/dbraw/zinc/75/67/66/720756766.db2.gz GBFBKBIGVPDGSK-OAZXXZECSA-N 1 0 411.466 1.654 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164849754 720844933 /nfs/dbraw/zinc/84/49/33/720844933.db2.gz CTJQKYGNOITGLA-WDEREUQCSA-N 1 0 406.270 1.865 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164860956 720856603 /nfs/dbraw/zinc/85/66/03/720856603.db2.gz XMODXEGKMSJDLQ-AUUYWEPGSA-N 1 0 417.466 1.720 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)CC[C@@H]2C1 ZINC001164856598 720873265 /nfs/dbraw/zinc/87/32/65/720873265.db2.gz IKSVZSKFVLGVDF-AIRBJGPQSA-N 1 0 405.499 1.696 20 5 HDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000303590438 1073757357 /nfs/dbraw/zinc/75/73/57/1073757357.db2.gz OOPIOMJPVVWFDY-OAHLLOKOSA-N 1 0 415.498 1.487 20 5 HDBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000534745949 1075229049 /nfs/dbraw/zinc/22/90/49/1075229049.db2.gz RPKAFBDURQKHQP-TZMCWYRMSA-N 1 0 400.439 1.742 20 5 HDBDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccnc(NC)c3[N+](=O)[O-])cc2)CC1 ZINC000561156846 1075232907 /nfs/dbraw/zinc/23/29/07/1075232907.db2.gz VSULSEZUEWDNTD-UHFFFAOYSA-N 1 0 412.494 2.099 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731481549 1075365333 /nfs/dbraw/zinc/36/53/33/1075365333.db2.gz USCOITCMFLJEHH-UHFFFAOYSA-N 1 0 423.426 1.644 20 5 HDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000447413085 1075459191 /nfs/dbraw/zinc/45/91/91/1075459191.db2.gz KGHNLFCJEVHZFQ-CYBMUJFWSA-N 1 0 402.455 2.506 20 5 HDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732307838 1075695691 /nfs/dbraw/zinc/69/56/91/1075695691.db2.gz OHPJSMIIIQTQJH-HZPDHXFCSA-N 1 0 420.466 1.552 20 5 HDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)CC1 ZINC000732781500 1075864994 /nfs/dbraw/zinc/86/49/94/1075864994.db2.gz RJMZGXMTMWRVLJ-MRXNPFEDSA-N 1 0 417.510 1.330 20 5 HDBDRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000611235238 1075881125 /nfs/dbraw/zinc/88/11/25/1075881125.db2.gz UUWIAMMZXINHTA-OAHLLOKOSA-N 1 0 414.528 1.376 20 5 HDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000611244216 1075885644 /nfs/dbraw/zinc/88/56/44/1075885644.db2.gz JUJQOHHGAFNKJL-QZTJIDSGSA-N 1 0 401.467 1.114 20 5 HDBDRO Cc1c(NC(=O)[C@@H](C)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000611244210 1075885750 /nfs/dbraw/zinc/88/57/50/1075885750.db2.gz JLSUPJCQBODOEY-KDOFPFPSSA-N 1 0 403.483 1.644 20 5 HDBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2cnnn2)c1 ZINC000611336001 1075910743 /nfs/dbraw/zinc/91/07/43/1075910743.db2.gz IMQDIXIDEZBQCX-ZDUSSCGKSA-N 1 0 417.451 1.200 20 5 HDBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)CC1 ZINC000611462364 1075936689 /nfs/dbraw/zinc/93/66/89/1075936689.db2.gz QWVJCSFTUHPWSW-INIZCTEOSA-N 1 0 417.510 1.330 20 5 HDBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733158693 1075991511 /nfs/dbraw/zinc/99/15/11/1075991511.db2.gz PXVBFFDKRXZCOT-MRXNPFEDSA-N 1 0 418.450 1.080 20 5 HDBDRO CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc2[N+](=O)[O-])CC1 ZINC000733163086 1075997006 /nfs/dbraw/zinc/99/70/06/1075997006.db2.gz BFRVVBUTRLJQRB-KRWDZBQOSA-N 1 0 405.499 1.579 20 5 HDBDRO O=C(C[NH+]1CCCCCCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000727105611 1076051690 /nfs/dbraw/zinc/05/16/90/1076051690.db2.gz HMRSCDBHIUMWKD-UHFFFAOYSA-N 1 0 424.523 1.694 20 5 HDBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000730644982 1076623115 /nfs/dbraw/zinc/62/31/15/1076623115.db2.gz RALURMOMKVTACV-ZDUSSCGKSA-N 1 0 413.858 1.878 20 5 HDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000730683212 1076633204 /nfs/dbraw/zinc/63/32/04/1076633204.db2.gz BSDRKTWIRNMYQA-OAHLLOKOSA-N 1 0 423.901 1.815 20 5 HDBDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000730808072 1076665921 /nfs/dbraw/zinc/66/59/21/1076665921.db2.gz HMUOPJDNKQADBJ-FQEVSTJZSA-N 1 0 401.511 1.804 20 5 HDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC001164812624 720217318 /nfs/dbraw/zinc/21/73/18/720217318.db2.gz HPEVIBCCHPETDI-UHFFFAOYSA-N 1 0 417.426 1.705 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164828455 720318625 /nfs/dbraw/zinc/31/86/25/720318625.db2.gz JNPQIDUWJZCEOW-HUUCEWRRSA-N 1 0 404.471 1.305 20 5 HDBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164737181 720775547 /nfs/dbraw/zinc/77/55/47/720775547.db2.gz AKQDJUMPLHRAPX-LSDHHAIUSA-N 1 0 400.439 1.909 20 5 HDBDRO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164738775 720817391 /nfs/dbraw/zinc/81/73/91/720817391.db2.gz GLGUWVMPVFBYEY-GVDBMIGSSA-N 1 0 413.482 1.969 20 5 HDBDRO Cc1cc(Cl)nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001164751431 720951194 /nfs/dbraw/zinc/95/11/94/720951194.db2.gz RQRHFSHQKXUEDW-UHFFFAOYSA-N 1 0 408.846 1.794 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766634 721082832 /nfs/dbraw/zinc/08/28/32/721082832.db2.gz LBKMLLVXHUQMOI-GJZGRUSLSA-N 1 0 400.439 1.468 20 5 HDBDRO COC(=O)c1cnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164761683 721103594 /nfs/dbraw/zinc/10/35/94/721103594.db2.gz AFXXGKSZCIGSBI-GOEBONIOSA-N 1 0 400.439 1.468 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)ncc3[N+](=O)[O-])CC2)C1 ZINC001164872406 721262814 /nfs/dbraw/zinc/26/28/14/721262814.db2.gz DLJZVWAEEGKZSV-UHFFFAOYSA-N 1 0 412.878 1.045 20 5 HDBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886781 721397051 /nfs/dbraw/zinc/39/70/51/721397051.db2.gz GGUJVCQGTJIZCB-APWZRJJASA-N 1 0 420.470 1.663 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001165042332 721951669 /nfs/dbraw/zinc/95/16/69/721951669.db2.gz JONURHCGDFGBTP-UHFFFAOYSA-N 1 0 422.482 1.978 20 5 HDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CCC2 ZINC001165002329 722254945 /nfs/dbraw/zinc/25/49/45/722254945.db2.gz NSIDENXJNFYREJ-UHFFFAOYSA-N 1 0 410.862 1.567 20 5 HDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC000555900117 1073578892 /nfs/dbraw/zinc/57/88/92/1073578892.db2.gz GTSQOIVBZVPUPT-MRXNPFEDSA-N 1 0 404.423 1.219 20 5 HDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302153108 1073587330 /nfs/dbraw/zinc/58/73/30/1073587330.db2.gz VAQZQCZHCIQYTG-GJZGRUSLSA-N 1 0 411.528 1.237 20 5 HDBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000489793479 1073590851 /nfs/dbraw/zinc/59/08/51/1073590851.db2.gz CMSZYZQSVVRRJL-AEFFLSMTSA-N 1 0 403.483 1.935 20 5 HDBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000303580185 1073754480 /nfs/dbraw/zinc/75/44/80/1073754480.db2.gz MKOVURQOQDLFRY-OAHLLOKOSA-N 1 0 401.471 1.179 20 5 HDBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000216272024 1073779732 /nfs/dbraw/zinc/77/97/32/1073779732.db2.gz PSOSQYOBCQGNFP-QGZVFWFLSA-N 1 0 413.482 1.247 20 5 HDBDRO Cc1c(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000543534204 1074033901 /nfs/dbraw/zinc/03/39/01/1074033901.db2.gz NBEAYRBQIASLMX-UHFFFAOYSA-N 1 0 417.510 1.718 20 5 HDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000543623437 1075105419 /nfs/dbraw/zinc/10/54/19/1075105419.db2.gz CQCOPEZQNAKEAX-UHFFFAOYSA-N 1 0 405.476 1.995 20 5 HDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000447413086 1075459165 /nfs/dbraw/zinc/45/91/65/1075459165.db2.gz KGHNLFCJEVHZFQ-ZDUSSCGKSA-N 1 0 402.455 2.506 20 5 HDBDRO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732560387 1075786108 /nfs/dbraw/zinc/78/61/08/1075786108.db2.gz YKAVSPJESZQHBL-KRWDZBQOSA-N 1 0 404.467 1.413 20 5 HDBDRO CN(C[C@H]1CCC[C@@H]1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611104592 1075836810 /nfs/dbraw/zinc/83/68/10/1075836810.db2.gz SSPSZZCHFLZMFI-KDOFPFPSSA-N 1 0 414.528 1.422 20 5 HDBDRO CNc1nccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000590424770 1075853390 /nfs/dbraw/zinc/85/33/90/1075853390.db2.gz VEFQMBZSOLOIMN-UHFFFAOYSA-N 1 0 412.494 2.364 20 5 HDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000611370372 1075914974 /nfs/dbraw/zinc/91/49/74/1075914974.db2.gz KYXFTVRHGHSQOM-AWEZNQCLSA-N 1 0 422.511 1.542 20 5 HDBDRO COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000732985600 1075938551 /nfs/dbraw/zinc/93/85/51/1075938551.db2.gz KMNHTOFMEDIPGX-UHFFFAOYSA-N 1 0 423.438 1.966 20 5 HDBDRO COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c([N+](=O)[O-])cc1O ZINC000732986076 1075939430 /nfs/dbraw/zinc/93/94/30/1075939430.db2.gz WUSGJXDFWRBVPE-UHFFFAOYSA-N 1 0 409.411 1.663 20 5 HDBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)N1CCOCC1 ZINC000727436794 1076120040 /nfs/dbraw/zinc/12/00/40/1076120040.db2.gz ANSCJIVVNORFPG-UHFFFAOYSA-N 1 0 416.400 1.985 20 5 HDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000730788088 1076658469 /nfs/dbraw/zinc/65/84/69/1076658469.db2.gz RENNGACPHARBSA-SNVBAGLBSA-N 1 0 419.219 1.650 20 5 HDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164689395 719737341 /nfs/dbraw/zinc/73/73/41/719737341.db2.gz FDZIJNNZHMXEFG-BJMVGYQFSA-N 1 0 402.499 1.703 20 5 HDBDRO Cc1c(C)c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164717043 720185574 /nfs/dbraw/zinc/18/55/74/720185574.db2.gz JPFQVIHIHZHVOU-SFHVURJKSA-N 1 0 415.498 1.951 20 5 HDBDRO Cc1c(C)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164717042 720186031 /nfs/dbraw/zinc/18/60/31/720186031.db2.gz JPFQVIHIHZHVOU-GOSISDBHSA-N 1 0 415.498 1.951 20 5 HDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740855 720629964 /nfs/dbraw/zinc/62/99/64/720629964.db2.gz JLIVKXROZZLLGJ-GHMZBOCLSA-N 1 0 423.886 1.892 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743123 720837318 /nfs/dbraw/zinc/83/73/18/720837318.db2.gz ISMAUZCOSZWVSF-YQVWRLOYSA-N 1 0 413.482 1.508 20 5 HDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164849749 720844798 /nfs/dbraw/zinc/84/47/98/720844798.db2.gz CTJQKYGNOITGLA-MNOVXSKESA-N 1 0 406.270 1.865 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2 ZINC001164750651 720953357 /nfs/dbraw/zinc/95/33/57/720953357.db2.gz MEYKCFFNBYUPCQ-UHFFFAOYSA-N 1 0 410.434 1.985 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870084 721054590 /nfs/dbraw/zinc/05/45/90/721054590.db2.gz VQWXXTJZRLSZNF-IAGOWNOFSA-N 1 0 413.434 1.651 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870087 721054935 /nfs/dbraw/zinc/05/49/35/721054935.db2.gz VQWXXTJZRLSZNF-IRXDYDNUSA-N 1 0 413.434 1.651 20 5 HDBDRO COC(=O)c1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164764341 721148410 /nfs/dbraw/zinc/14/84/10/721148410.db2.gz HSXULZYDVDBKLE-GJZGRUSLSA-N 1 0 400.439 1.468 20 5 HDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164764778 721239989 /nfs/dbraw/zinc/23/99/89/721239989.db2.gz QBBLNGDYFSWKLO-HOTGVXAUSA-N 1 0 414.470 1.343 20 5 HDBDRO COc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164884458 721403739 /nfs/dbraw/zinc/40/37/39/721403739.db2.gz DFBJQQIUZXSIRR-JXFKEZNVSA-N 1 0 405.499 1.764 20 5 HDBDRO C[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000302112667 1073585154 /nfs/dbraw/zinc/58/51/54/1073585154.db2.gz AZWOPMJRDXHHRP-OAHLLOKOSA-N 1 0 419.507 1.865 20 5 HDBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000056070312 1073640163 /nfs/dbraw/zinc/64/01/63/1073640163.db2.gz YPJIVUNQIOOSAI-UHFFFAOYSA-N 1 0 405.480 1.529 20 5 HDBDRO CCN1CC[NH+](CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000303528942 1073747849 /nfs/dbraw/zinc/74/78/49/1073747849.db2.gz GWMQZAQDYPNMEE-UHFFFAOYSA-N 1 0 400.483 1.928 20 5 HDBDRO COc1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000543492966 1073822125 /nfs/dbraw/zinc/82/21/25/1073822125.db2.gz NBXCPLDQNHUFJK-GFCCVEGCSA-N 1 0 403.382 1.965 20 5 HDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000466662239 1074712344 /nfs/dbraw/zinc/71/23/44/1074712344.db2.gz WUMMOODUPMFSJC-HUUCEWRRSA-N 1 0 410.496 1.301 20 5 HDBDRO COC(=O)c1cc(C)nc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000576967687 1074805838 /nfs/dbraw/zinc/80/58/38/1074805838.db2.gz SAAJXPFTBTZFTO-FQEVSTJZSA-N 1 0 400.435 2.134 20 5 HDBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000543627565 1075136595 /nfs/dbraw/zinc/13/65/95/1075136595.db2.gz WMMUILADKDYLKY-CQSZACIVSA-N 1 0 412.512 1.963 20 5 HDBDRO Cc1c(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000731481520 1075365740 /nfs/dbraw/zinc/36/57/40/1075365740.db2.gz XNTLLBRUZACYDC-UHFFFAOYSA-N 1 0 421.454 1.792 20 5 HDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000462813363 1075797560 /nfs/dbraw/zinc/79/75/60/1075797560.db2.gz REMIOWOHLJUFAD-UHFFFAOYSA-N 1 0 422.511 1.542 20 5 HDBDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000611347809 1075912829 /nfs/dbraw/zinc/91/28/29/1075912829.db2.gz HKQCWCKUNZQGTI-UHFFFAOYSA-N 1 0 423.447 1.906 20 5 HDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCc2ccc(CO)cc2)c([N+](=O)[O-])c1 ZINC000611414784 1075927959 /nfs/dbraw/zinc/92/79/59/1075927959.db2.gz BIBMVEBXILFSJW-UHFFFAOYSA-N 1 0 422.507 1.582 20 5 HDBDRO C[C@@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000732956736 1075931493 /nfs/dbraw/zinc/93/14/93/1075931493.db2.gz HDWNYVMLSVSTLV-YJBOKZPZSA-N 1 0 424.523 1.739 20 5 HDBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611514326 1075952884 /nfs/dbraw/zinc/95/28/84/1075952884.db2.gz QXGCOLUYKQFGTN-CYBMUJFWSA-N 1 0 414.409 1.333 20 5 HDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733159831 1075992509 /nfs/dbraw/zinc/99/25/09/1075992509.db2.gz XVEFFOFXTFBGDI-MRXNPFEDSA-N 1 0 405.499 1.187 20 5 HDBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000751425754 1076163514 /nfs/dbraw/zinc/16/35/14/1076163514.db2.gz RDKDMFWJBNUUIM-UHFFFAOYSA-N 1 0 408.274 1.092 20 5 HDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000728072914 1076332639 /nfs/dbraw/zinc/33/26/39/1076332639.db2.gz MJEAVADVOAYLGC-CQSZACIVSA-N 1 0 407.427 1.484 20 5 HDBDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC001176600972 1126150574 /nfs/dbraw/zinc/15/05/74/1126150574.db2.gz XDUJLTPIRXFDFN-HXUWFJFHSA-N 1 0 403.435 1.794 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C2 ZINC001164807342 720127847 /nfs/dbraw/zinc/12/78/47/720127847.db2.gz BYXWZQBQHITMJY-YWZLYKJASA-N 1 0 404.467 1.961 20 5 HDBDRO COc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ccc1[N+](=O)[O-] ZINC001164813397 720215909 /nfs/dbraw/zinc/21/59/09/720215909.db2.gz PDWSAPJPIOASIM-UHFFFAOYSA-N 1 0 402.455 1.806 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814542 720229507 /nfs/dbraw/zinc/22/95/07/720229507.db2.gz XQTFEJPQAPAOSA-UHFFFAOYSA-N 1 0 402.455 1.344 20 5 HDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833014 720327038 /nfs/dbraw/zinc/32/70/38/720327038.db2.gz VRTHFBUYGJLKHF-QZTJIDSGSA-N 1 0 403.483 1.448 20 5 HDBDRO COC(=O)c1nc(Cl)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164727955 720509127 /nfs/dbraw/zinc/50/91/27/720509127.db2.gz FCKPJMLYRSYTEY-SNVBAGLBSA-N 1 0 409.834 1.219 20 5 HDBDRO CN(C)/C=C/c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164738564 720756279 /nfs/dbraw/zinc/75/62/79/720756279.db2.gz GBFBKBIGVPDGSK-MULDZMIYSA-N 1 0 411.466 1.654 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740319 720828322 /nfs/dbraw/zinc/82/83/22/720828322.db2.gz KEVGODSIBMEPLF-BZUAXINKSA-N 1 0 414.470 1.364 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164849747 720844883 /nfs/dbraw/zinc/84/48/83/720844883.db2.gz CTJQKYGNOITGLA-GHMZBOCLSA-N 1 0 406.270 1.865 20 5 HDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164856026 720859567 /nfs/dbraw/zinc/85/95/67/720859567.db2.gz NRDHJEWJPIHQQH-NEPJUHHUSA-N 1 0 417.919 1.934 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164752250 720947425 /nfs/dbraw/zinc/94/74/25/720947425.db2.gz WZVDRHNBDBHNFQ-UHFFFAOYSA-N 1 0 411.422 1.380 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164749410 720953039 /nfs/dbraw/zinc/95/30/39/720953039.db2.gz GCFCQYMYUQQOEU-UHFFFAOYSA-N 1 0 411.422 1.380 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870081 721054301 /nfs/dbraw/zinc/05/43/01/721054301.db2.gz VQWXXTJZRLSZNF-DLBZAZTESA-N 1 0 413.434 1.651 20 5 HDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865114 721110264 /nfs/dbraw/zinc/11/02/64/721110264.db2.gz IMAFCRXEVVHKMX-CVEARBPZSA-N 1 0 405.842 1.756 20 5 HDBDRO COc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164889350 721379786 /nfs/dbraw/zinc/37/97/86/721379786.db2.gz LTBSANMYHVYFKA-BEFAXECRSA-N 1 0 406.487 1.159 20 5 HDBDRO COc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164889481 721406686 /nfs/dbraw/zinc/40/66/86/721406686.db2.gz QZLCEUCHDFAPFP-OXJNMPFZSA-N 1 0 405.499 1.764 20 5 HDBDRO COc1ncnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975773 722118296 /nfs/dbraw/zinc/11/82/96/722118296.db2.gz KYLONBXQXMZWEG-JKSUJKDBSA-N 1 0 400.439 1.516 20 5 HDBDRO COC(=O)c1ccnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001165002271 722254243 /nfs/dbraw/zinc/25/42/43/722254243.db2.gz MTBQORBBBYCBPC-UHFFFAOYSA-N 1 0 418.454 1.461 20 5 HDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302685146 1073617911 /nfs/dbraw/zinc/61/79/11/1073617911.db2.gz YBJSKYYQDXLXRE-HOTGVXAUSA-N 1 0 410.540 1.993 20 5 HDBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000303589252 1073756416 /nfs/dbraw/zinc/75/64/16/1073756416.db2.gz OKVPLVJHRFBIRC-OAHLLOKOSA-N 1 0 419.482 1.425 20 5 HDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437062824 1075163448 /nfs/dbraw/zinc/16/34/48/1075163448.db2.gz YJZOGJIOIKBXIR-UHFFFAOYSA-N 1 0 406.402 2.305 20 5 HDBDRO COC(=O)c1cn(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000546811064 1075350334 /nfs/dbraw/zinc/35/03/34/1075350334.db2.gz TVCWCKGIXMNUCR-CQSZACIVSA-N 1 0 405.411 1.050 20 5 HDBDRO CN1CC[NH+](CC2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000732107930 1075633962 /nfs/dbraw/zinc/63/39/62/1075633962.db2.gz ZIXZUARAXBNYFI-UHFFFAOYSA-N 1 0 404.467 1.272 20 5 HDBDRO O=Cc1ccc(OCC(=O)NCC2([NH+]3CCCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000732158810 1075641398 /nfs/dbraw/zinc/64/13/98/1075641398.db2.gz CHCJZQARIQJDQW-UHFFFAOYSA-N 1 0 405.451 1.937 20 5 HDBDRO C[N@H+](CCNC(=O)C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1)Cc1ccccc1 ZINC000462912376 1075663036 /nfs/dbraw/zinc/66/30/36/1075663036.db2.gz MDDLBNPEYAVZKN-UHFFFAOYSA-N 1 0 413.482 1.432 20 5 HDBDRO CN(C[C@H]1CCC[C@@H]1O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611104637 1075836829 /nfs/dbraw/zinc/83/68/29/1075836829.db2.gz ZIMOQGVMMPPGFM-DYVFJYSZSA-N 1 0 400.501 1.032 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000611167766 1075866339 /nfs/dbraw/zinc/86/63/39/1075866339.db2.gz TZBLDYCHDJAKMD-UHFFFAOYSA-N 1 0 410.540 1.915 20 5 HDBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611209935 1075874579 /nfs/dbraw/zinc/87/45/79/1075874579.db2.gz OWIAHCJGPUUUQU-GOSISDBHSA-N 1 0 417.510 1.675 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000611202594 1075877412 /nfs/dbraw/zinc/87/74/12/1075877412.db2.gz YVGITAPLTYUIJA-SFHVURJKSA-N 1 0 412.450 1.335 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611244283 1075884747 /nfs/dbraw/zinc/88/47/47/1075884747.db2.gz OGMPNBQPKJSFGI-INIZCTEOSA-N 1 0 417.466 1.307 20 5 HDBDRO C[C@@H](CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000732956734 1075931385 /nfs/dbraw/zinc/93/13/85/1075931385.db2.gz HDWNYVMLSVSTLV-MAUKXSAKSA-N 1 0 424.523 1.739 20 5 HDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000733993839 1076285788 /nfs/dbraw/zinc/28/57/88/1076285788.db2.gz AVTJNEKTSNKPBS-IBGZPJMESA-N 1 0 422.507 1.754 20 5 HDBDRO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728072930 1076332936 /nfs/dbraw/zinc/33/29/36/1076332936.db2.gz MZARTVLZJAVBMZ-OAHLLOKOSA-N 1 0 421.454 1.792 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164637941 719258445 /nfs/dbraw/zinc/25/84/45/719258445.db2.gz XGQGFBHBPXXOCJ-STQMWFEESA-N 1 0 408.455 1.728 20 5 HDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164686758 719723890 /nfs/dbraw/zinc/72/38/90/719723890.db2.gz RDJMLVNLYRKIAI-UHFFFAOYSA-N 1 0 414.919 1.941 20 5 HDBDRO Cn1nnc2c1CCN(c1cc([N+](=O)[O-])cc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713381 720166579 /nfs/dbraw/zinc/16/65/79/720166579.db2.gz JLPYWPFJWSNNNG-OAHLLOKOSA-N 1 0 421.889 1.988 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746822 720729629 /nfs/dbraw/zinc/72/96/29/720729629.db2.gz YSJLZTDEZONOBJ-CABCVRRESA-N 1 0 414.422 1.298 20 5 HDBDRO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164738776 720817472 /nfs/dbraw/zinc/81/74/72/720817472.db2.gz GLGUWVMPVFBYEY-IXDOHACOSA-N 1 0 413.482 1.969 20 5 HDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164849751 720845113 /nfs/dbraw/zinc/84/51/13/720845113.db2.gz CTJQKYGNOITGLA-QWRGUYRKSA-N 1 0 406.270 1.865 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164852121 720864991 /nfs/dbraw/zinc/86/49/91/720864991.db2.gz CCFJRWMMHAQBPJ-PBHICJAKSA-N 1 0 408.455 1.340 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164751550 720948722 /nfs/dbraw/zinc/94/87/22/720948722.db2.gz TVQAEEJCKIMIOM-UHFFFAOYSA-N 1 0 411.422 1.380 20 5 HDBDRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164866051 721070544 /nfs/dbraw/zinc/07/05/44/721070544.db2.gz CCTMLKSTYFYTBV-IRXDYDNUSA-N 1 0 413.434 1.651 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC001164876708 721262546 /nfs/dbraw/zinc/26/25/46/721262546.db2.gz OTEMFOIIYHOOOY-UHFFFAOYSA-N 1 0 411.890 1.650 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165013289 721750686 /nfs/dbraw/zinc/75/06/86/721750686.db2.gz XAKFEYQAVHZLKS-UHFFFAOYSA-N 1 0 405.455 1.299 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977335 722118598 /nfs/dbraw/zinc/11/85/98/722118598.db2.gz MOTGCZWFZAVNPQ-DLBZAZTESA-N 1 0 414.466 1.824 20 5 HDBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302118592 1073585046 /nfs/dbraw/zinc/58/50/46/1073585046.db2.gz DXFRKKSRCZMAFC-HNNXBMFYSA-N 1 0 419.507 1.865 20 5 HDBDRO CC(=O)N1CCC([N@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2cncs2)CC1 ZINC000429118465 1073683076 /nfs/dbraw/zinc/68/30/76/1073683076.db2.gz XFQGHBSKRSICBT-UHFFFAOYSA-N 1 0 405.480 1.726 20 5 HDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000303590103 1073756270 /nfs/dbraw/zinc/75/62/70/1073756270.db2.gz OOPIOMJPVVWFDY-HNNXBMFYSA-N 1 0 415.498 1.487 20 5 HDBDRO C[C@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000502000123 1073799860 /nfs/dbraw/zinc/79/98/60/1073799860.db2.gz BWPPYPSAGAIEGT-RYUDHWBXSA-N 1 0 415.288 1.683 20 5 HDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000502363648 1073824369 /nfs/dbraw/zinc/82/43/69/1073824369.db2.gz XHFIFYMRGRHIHX-GOSISDBHSA-N 1 0 413.496 1.490 20 5 HDBDRO CN1CC[NH+](CC2(C)CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC000543523164 1073982968 /nfs/dbraw/zinc/98/29/68/1073982968.db2.gz ZSSIZPWBALKFQK-UHFFFAOYSA-N 1 0 415.538 1.833 20 5 HDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000751172016 1074370064 /nfs/dbraw/zinc/37/00/64/1074370064.db2.gz MRMYVZFZIVNGAC-UHFFFAOYSA-N 1 0 422.301 1.482 20 5 HDBDRO Cc1c(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000731478326 1075370644 /nfs/dbraw/zinc/37/06/44/1075370644.db2.gz AULRHGWPHZYMCD-UHFFFAOYSA-N 1 0 407.427 1.484 20 5 HDBDRO C[NH+]1CCN(c2ncccc2CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731619134 1075414880 /nfs/dbraw/zinc/41/48/80/1075414880.db2.gz JPPRMMZZWGKWJZ-UHFFFAOYSA-N 1 0 413.434 1.249 20 5 HDBDRO C[NH+](C)CCn1ccc(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000438698980 1075735561 /nfs/dbraw/zinc/73/55/61/1075735561.db2.gz UGIPMNIDBSMCOO-UHFFFAOYSA-N 1 0 402.455 2.428 20 5 HDBDRO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732560388 1075785882 /nfs/dbraw/zinc/78/58/82/1075785882.db2.gz YKAVSPJESZQHBL-QGZVFWFLSA-N 1 0 404.467 1.413 20 5 HDBDRO CN(C[C@@H]1CCC[C@@H]1O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611104638 1075836793 /nfs/dbraw/zinc/83/67/93/1075836793.db2.gz ZIMOQGVMMPPGFM-GUYCJALGSA-N 1 0 400.501 1.032 20 5 HDBDRO CNc1nccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1[N+](=O)[O-] ZINC000553417406 1075855479 /nfs/dbraw/zinc/85/54/79/1075855479.db2.gz OMTCIEVMXMNZQJ-CQSZACIVSA-N 1 0 412.450 1.981 20 5 HDBDRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000733903327 1076261505 /nfs/dbraw/zinc/26/15/05/1076261505.db2.gz LLYRKRZZAYVHAN-HXUWFJFHSA-N 1 0 417.466 1.351 20 5 HDBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000730268535 1076509529 /nfs/dbraw/zinc/50/95/29/1076509529.db2.gz BGTYTCNZYSBWND-LLVKDONJSA-N 1 0 421.317 1.272 20 5 HDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000730788087 1076658386 /nfs/dbraw/zinc/65/83/86/1076658386.db2.gz RENNGACPHARBSA-JTQLQIEISA-N 1 0 419.219 1.650 20 5 HDBDRO CC(C)n1nc(CN(C)C)c2c1CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2 ZINC001164651675 719318305 /nfs/dbraw/zinc/31/83/05/719318305.db2.gz HKKZGKMYVABJGW-UHFFFAOYSA-N 1 0 400.487 1.473 20 5 HDBDRO COC(=O)c1nc(Cl)nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164685628 719609734 /nfs/dbraw/zinc/60/97/34/719609734.db2.gz VDZRCLVPCNUPKJ-UHFFFAOYSA-N 1 0 423.861 1.496 20 5 HDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)CC2 ZINC001164684637 719721854 /nfs/dbraw/zinc/72/18/54/719721854.db2.gz IYGRQRYUIHKCGP-UHFFFAOYSA-N 1 0 414.466 1.727 20 5 HDBDRO COc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164821417 720315180 /nfs/dbraw/zinc/31/51/80/720315180.db2.gz KOIAWAIIMPHKCD-IAGOWNOFSA-N 1 0 403.483 1.910 20 5 HDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738304 720659787 /nfs/dbraw/zinc/65/97/87/720659787.db2.gz IUTPAJBEFBDSCZ-UWVGGRQHSA-N 1 0 412.237 1.824 20 5 HDBDRO CN(C)/C=C\c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164738569 720756487 /nfs/dbraw/zinc/75/64/87/720756487.db2.gz GBFBKBIGVPDGSK-OPCNFVSTSA-N 1 0 411.466 1.654 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740316 720828602 /nfs/dbraw/zinc/82/86/02/720828602.db2.gz KEVGODSIBMEPLF-ARFHVFGLSA-N 1 0 414.470 1.364 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852875 720837959 /nfs/dbraw/zinc/83/79/59/720837959.db2.gz MEDSXGFQITZEHB-NWDGAFQWSA-N 1 0 417.919 1.934 20 5 HDBDRO COc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164766357 721129973 /nfs/dbraw/zinc/12/99/73/721129973.db2.gz KRNJMJPASOULDV-KGLIPLIRSA-N 1 0 403.443 1.094 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)C1 ZINC001164868839 721264973 /nfs/dbraw/zinc/26/49/73/721264973.db2.gz FNETUHBSGKQGLZ-UHFFFAOYSA-N 1 0 411.890 1.650 20 5 HDBDRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164902977 721532673 /nfs/dbraw/zinc/53/26/73/721532673.db2.gz BNRPBTTUDHFSGN-UKRRQHHQSA-N 1 0 419.413 1.883 20 5 HDBDRO C[NH+](C)CCCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000096965667 1073536315 /nfs/dbraw/zinc/53/63/15/1073536315.db2.gz ROWUZBRGMURLRO-CYBMUJFWSA-N 1 0 403.888 1.829 20 5 HDBDRO CN(Cc1cccnc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000215856760 1073678089 /nfs/dbraw/zinc/67/80/89/1073678089.db2.gz PENYQKFBZFUIAC-UHFFFAOYSA-N 1 0 407.496 1.856 20 5 HDBDRO Cn1nc(Br)cc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000785471891 1074174379 /nfs/dbraw/zinc/17/43/79/1074174379.db2.gz RSWSBAIEWQZSRD-UHFFFAOYSA-N 1 0 418.273 1.159 20 5 HDBDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001128636058 1074199112 /nfs/dbraw/zinc/19/91/12/1074199112.db2.gz FSFCKYABMSTDOD-MRXNPFEDSA-N 1 0 407.434 1.822 20 5 HDBDRO COC(=O)c1cc(C)nc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000561103176 1074807288 /nfs/dbraw/zinc/80/72/88/1074807288.db2.gz DZEVTTIAQONTSL-UHFFFAOYSA-N 1 0 400.439 1.844 20 5 HDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732307837 1075695714 /nfs/dbraw/zinc/69/57/14/1075695714.db2.gz OHPJSMIIIQTQJH-HOTGVXAUSA-N 1 0 420.466 1.552 20 5 HDBDRO CN(C[C@@H]1CCC[C@H]1O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611104639 1075836836 /nfs/dbraw/zinc/83/68/36/1075836836.db2.gz ZIMOQGVMMPPGFM-SUMWQHHRSA-N 1 0 400.501 1.032 20 5 HDBDRO Cc1cc(C(=O)NCC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1[N+](=O)[O-] ZINC000428336881 1075856680 /nfs/dbraw/zinc/85/66/80/1075856680.db2.gz SMNMLCIGFHOUNP-UHFFFAOYSA-N 1 0 400.439 1.735 20 5 HDBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000611206591 1075873847 /nfs/dbraw/zinc/87/38/47/1075873847.db2.gz OAHIESCNBIMXBH-HNNXBMFYSA-N 1 0 408.524 1.843 20 5 HDBDRO COc1ccc(NC(=O)[C@H](C)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244242 1075885840 /nfs/dbraw/zinc/88/58/40/1075885840.db2.gz MOCPVLOMGJHDNU-SUMWQHHRSA-N 1 0 419.482 1.345 20 5 HDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000611370373 1075914941 /nfs/dbraw/zinc/91/49/41/1075914941.db2.gz KYXFTVRHGHSQOM-CQSZACIVSA-N 1 0 422.511 1.542 20 5 HDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000611464867 1075945922 /nfs/dbraw/zinc/94/59/22/1075945922.db2.gz RRQDPGQPTPAZMQ-INIZCTEOSA-N 1 0 404.467 1.415 20 5 HDBDRO NC(=O)c1ccc(SCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000733157899 1075989987 /nfs/dbraw/zinc/98/99/87/1075989987.db2.gz ADUKNAPIKCYIND-OAHLLOKOSA-N 1 0 422.507 1.545 20 5 HDBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733158692 1075991434 /nfs/dbraw/zinc/99/14/34/1075991434.db2.gz PXVBFFDKRXZCOT-INIZCTEOSA-N 1 0 418.450 1.080 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000733164376 1075997415 /nfs/dbraw/zinc/99/74/15/1075997415.db2.gz QVDGAHLXJYELLI-UHFFFAOYSA-N 1 0 422.482 1.279 20 5 HDBDRO CO[C@H](CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C(F)(F)F ZINC000733302973 1076033703 /nfs/dbraw/zinc/03/37/03/1076033703.db2.gz AGPZCINAQZFNAI-CYBMUJFWSA-N 1 0 414.406 1.424 20 5 HDBDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000727074281 1076046288 /nfs/dbraw/zinc/04/62/88/1076046288.db2.gz FANYXCHLDGBJGK-UHFFFAOYSA-N 1 0 413.569 1.876 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000730569251 1076604109 /nfs/dbraw/zinc/60/41/09/1076604109.db2.gz LCGGDQUXZYENRJ-AWEZNQCLSA-N 1 0 421.454 1.896 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC001164813069 720095461 /nfs/dbraw/zinc/09/54/61/720095461.db2.gz SCBQZAWCZMLKLB-JXFKEZNVSA-N 1 0 404.467 1.961 20 5 HDBDRO Cn1nnc2c1CCN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711914 720167471 /nfs/dbraw/zinc/16/74/71/720167471.db2.gz DNUGAUVEFICXIY-MRXNPFEDSA-N 1 0 421.889 1.988 20 5 HDBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164752766 720799236 /nfs/dbraw/zinc/79/92/36/720799236.db2.gz ZSQJSJCTZZAKIF-KGLIPLIRSA-N 1 0 414.422 1.298 20 5 HDBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164752765 720799738 /nfs/dbraw/zinc/79/97/38/720799738.db2.gz ZSQJSJCTZZAKIF-KBPBESRZSA-N 1 0 414.422 1.298 20 5 HDBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164752773 720800121 /nfs/dbraw/zinc/80/01/21/720800121.db2.gz ZSQJSJCTZZAKIF-ZIAGYGMSSA-N 1 0 414.422 1.298 20 5 HDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164863561 721085814 /nfs/dbraw/zinc/08/58/14/721085814.db2.gz CWSPKQJNFJUESA-GJZGRUSLSA-N 1 0 416.438 1.277 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866188 721089453 /nfs/dbraw/zinc/08/94/53/721089453.db2.gz RRZIIGISIVXYRY-HZPDHXFCSA-N 1 0 400.439 1.577 20 5 HDBDRO COc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ccc1[N+](=O)[O-] ZINC001164868611 721266741 /nfs/dbraw/zinc/26/67/41/721266741.db2.gz FCVCPBIXPKNXTL-UHFFFAOYSA-N 1 0 407.471 1.005 20 5 HDBDRO COc1ncnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886547 721411389 /nfs/dbraw/zinc/41/13/89/721411389.db2.gz JVPUWKPAZOGSNO-BEFAXECRSA-N 1 0 406.487 1.159 20 5 HDBDRO COc1ncnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1[N+](=O)[O-] ZINC001164886554 721411420 /nfs/dbraw/zinc/41/14/20/721411420.db2.gz JVPUWKPAZOGSNO-KXBFYZLASA-N 1 0 406.487 1.159 20 5 HDBDRO COc1ncnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164962466 722056099 /nfs/dbraw/zinc/05/60/99/722056099.db2.gz DUFHUJMGLMDVIZ-UHFFFAOYSA-N 1 0 414.466 1.907 20 5 HDBDRO C[NH+](C)CC1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000466575309 1073996563 /nfs/dbraw/zinc/99/65/63/1073996563.db2.gz RKCFPQXLTAOKEE-HNNXBMFYSA-N 1 0 424.523 1.596 20 5 HDBDRO O=C(COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)NC1CC[NH+](C2CC2)CC1 ZINC000731527517 1075375947 /nfs/dbraw/zinc/37/59/47/1075375947.db2.gz ZKWXMCFLZPBNRP-UHFFFAOYSA-N 1 0 414.422 1.075 20 5 HDBDRO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429401644 1075415323 /nfs/dbraw/zinc/41/53/23/1075415323.db2.gz MKIYNQWFVVLOIP-HXUWFJFHSA-N 1 0 423.473 1.990 20 5 HDBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731623506 1075418210 /nfs/dbraw/zinc/41/82/10/1075418210.db2.gz UWABTUHFNNSQGN-IAGOWNOFSA-N 1 0 418.494 1.803 20 5 HDBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000731834696 1075542870 /nfs/dbraw/zinc/54/28/70/1075542870.db2.gz SKRXTLSKROKZTJ-UHFFFAOYSA-N 1 0 407.427 1.484 20 5 HDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732065277 1075600374 /nfs/dbraw/zinc/60/03/74/1075600374.db2.gz YIODGECCTPVEIH-MJBXVCDLSA-N 1 0 408.480 1.240 20 5 HDBDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)CC1 ZINC000513787839 1075786996 /nfs/dbraw/zinc/78/69/96/1075786996.db2.gz GEXIIPMFRWUJNI-UHFFFAOYSA-N 1 0 407.452 1.714 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C[C@@H]1C ZINC000611088230 1075827909 /nfs/dbraw/zinc/82/79/09/1075827909.db2.gz KHTDAVYFXPUCGX-JKSUJKDBSA-N 1 0 424.523 1.548 20 5 HDBDRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000732764294 1075847560 /nfs/dbraw/zinc/84/75/60/1075847560.db2.gz OOLZILVPMXFWGU-UHFFFAOYSA-N 1 0 424.461 1.552 20 5 HDBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000611244302 1075884578 /nfs/dbraw/zinc/88/45/78/1075884578.db2.gz QRYKXCXLNLGHIX-KRWDZBQOSA-N 1 0 419.482 1.346 20 5 HDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611244284 1075884712 /nfs/dbraw/zinc/88/47/12/1075884712.db2.gz OGMPNBQPKJSFGI-MRXNPFEDSA-N 1 0 417.466 1.307 20 5 HDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000611475216 1075943328 /nfs/dbraw/zinc/94/33/28/1075943328.db2.gz DVXAIJYQQODCFY-NQCMUKECSA-N 1 0 403.439 1.622 20 5 HDBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611514327 1075952817 /nfs/dbraw/zinc/95/28/17/1075952817.db2.gz QXGCOLUYKQFGTN-ZDUSSCGKSA-N 1 0 414.409 1.333 20 5 HDBDRO COc1cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519606 1075953515 /nfs/dbraw/zinc/95/35/15/1075953515.db2.gz ZXSZQXCJQAGAPK-UHFFFAOYSA-N 1 0 411.427 1.665 20 5 HDBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733882699 1076238091 /nfs/dbraw/zinc/23/80/91/1076238091.db2.gz VKYFXGFDDBQOPL-UHFFFAOYSA-N 1 0 419.526 1.435 20 5 HDBDRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000733903325 1076261389 /nfs/dbraw/zinc/26/13/89/1076261389.db2.gz LLYRKRZZAYVHAN-FQEVSTJZSA-N 1 0 417.466 1.351 20 5 HDBDRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000733903363 1076261587 /nfs/dbraw/zinc/26/15/87/1076261587.db2.gz LYZLFVVDXIQERF-HXUWFJFHSA-N 1 0 417.466 1.351 20 5 HDBDRO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728073360 1076333612 /nfs/dbraw/zinc/33/36/12/1076333612.db2.gz RRVKMZBHLRWIFC-HNNXBMFYSA-N 1 0 407.427 1.484 20 5 HDBDRO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CC[C@H]([NH+]3CCCCC3)C2)C1=O ZINC000730804302 1076656064 /nfs/dbraw/zinc/65/60/64/1076656064.db2.gz GFQQQSGHYGTWNX-FXAWDEMLSA-N 1 0 401.467 1.880 20 5 HDBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)C1 ZINC000731008592 1076709672 /nfs/dbraw/zinc/70/96/72/1076709672.db2.gz JUYBBALKSZUNDE-KRWDZBQOSA-N 1 0 411.462 1.804 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164637938 719258365 /nfs/dbraw/zinc/25/83/65/719258365.db2.gz XGQGFBHBPXXOCJ-OLZOCXBDSA-N 1 0 408.455 1.728 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC001164806991 720079396 /nfs/dbraw/zinc/07/93/96/720079396.db2.gz DVQSTRSOLCOSLQ-QRWLVFNGSA-N 1 0 404.467 1.961 20 5 HDBDRO COc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001164712876 720172712 /nfs/dbraw/zinc/17/27/12/720172712.db2.gz HDUDYPPIRIDHHI-INIZCTEOSA-N 1 0 417.470 1.343 20 5 HDBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164737180 720774612 /nfs/dbraw/zinc/77/46/12/720774612.db2.gz AKQDJUMPLHRAPX-HUUCEWRRSA-N 1 0 400.439 1.909 20 5 HDBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164751333 720949489 /nfs/dbraw/zinc/94/94/89/720949489.db2.gz PKOUSXWXGYTTKQ-UHFFFAOYSA-N 1 0 409.834 1.189 20 5 HDBDRO COc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164891549 721393333 /nfs/dbraw/zinc/39/33/33/721393333.db2.gz QKBTWOWWYGBHSC-JXFKEZNVSA-N 1 0 405.499 1.764 20 5 HDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4cc([N+](=O)[O-])ccc42)CC3)CC1 ZINC001164793995 721512433 /nfs/dbraw/zinc/51/24/33/721512433.db2.gz AIQKNXPCZXDOCB-UHFFFAOYSA-N 1 0 408.466 1.502 20 5 HDBDRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164902877 721532664 /nfs/dbraw/zinc/53/26/64/721532664.db2.gz BNRPBTTUDHFSGN-DZGCQCFKSA-N 1 0 419.413 1.883 20 5 HDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC001165000972 722252219 /nfs/dbraw/zinc/25/22/19/722252219.db2.gz XKQANZDGUGNZOK-UHFFFAOYSA-N 1 0 405.415 1.583 20 5 HDBDRO Cc1cc(N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302076037 1073583140 /nfs/dbraw/zinc/58/31/40/1073583140.db2.gz JDZPJKDSIJBSHC-INIZCTEOSA-N 1 0 413.478 1.821 20 5 HDBDRO COc1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000543492981 1073822054 /nfs/dbraw/zinc/82/20/54/1073822054.db2.gz NBXCPLDQNHUFJK-LBPRGKRZSA-N 1 0 403.382 1.965 20 5 HDBDRO COC[C@@H]1CCCCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000466631414 1074169073 /nfs/dbraw/zinc/16/90/73/1074169073.db2.gz WLUAMTHPFTUNKX-OAHLLOKOSA-N 1 0 414.528 1.688 20 5 HDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3I)C[C@@H]21 ZINC001129074110 1075278663 /nfs/dbraw/zinc/27/86/63/1075278663.db2.gz NTTRUSWKULSPCM-RNCFNFMXSA-N 1 0 401.204 1.976 20 5 HDBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000731480920 1075372007 /nfs/dbraw/zinc/37/20/07/1075372007.db2.gz IDOCAOBTQOQPHW-UHFFFAOYSA-N 1 0 409.443 1.658 20 5 HDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732065275 1075599983 /nfs/dbraw/zinc/59/99/83/1075599983.db2.gz YIODGECCTPVEIH-MCIONIFRSA-N 1 0 408.480 1.240 20 5 HDBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000543681369 1075629539 /nfs/dbraw/zinc/62/95/39/1075629539.db2.gz AQACSHPCROPNIT-UHFFFAOYSA-N 1 0 410.496 1.140 20 5 HDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732307839 1075695765 /nfs/dbraw/zinc/69/57/65/1075695765.db2.gz OHPJSMIIIQTQJH-JKSUJKDBSA-N 1 0 420.466 1.552 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C[C@@H]1C ZINC000611088228 1075827540 /nfs/dbraw/zinc/82/75/40/1075827540.db2.gz KHTDAVYFXPUCGX-HOTGVXAUSA-N 1 0 424.523 1.548 20 5 HDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462497878 1075841936 /nfs/dbraw/zinc/84/19/36/1075841936.db2.gz DDRSSRASYSKOFE-KRWDZBQOSA-N 1 0 413.478 2.568 20 5 HDBDRO Cc1cc(CNc2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])ncn1 ZINC000611132951 1075848626 /nfs/dbraw/zinc/84/86/26/1075848626.db2.gz PBODOQBMHIYYQP-UHFFFAOYSA-N 1 0 408.484 1.535 20 5 HDBDRO O=C(c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000611165700 1075865657 /nfs/dbraw/zinc/86/56/57/1075865657.db2.gz AWHUFTFQVPFNCT-KRWDZBQOSA-N 1 0 404.467 1.732 20 5 HDBDRO Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000611176384 1075869578 /nfs/dbraw/zinc/86/95/78/1075869578.db2.gz FYSWLIKSIWQIQE-UHFFFAOYSA-N 1 0 417.510 1.859 20 5 HDBDRO O=C(C[NH+]1CCC2(CC2)CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611177431 1075870494 /nfs/dbraw/zinc/87/04/94/1075870494.db2.gz KLUUCGZJCPGIRS-UHFFFAOYSA-N 1 0 422.507 1.304 20 5 HDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000611244215 1075885354 /nfs/dbraw/zinc/88/53/54/1075885354.db2.gz JUJQOHHGAFNKJL-MSOLQXFVSA-N 1 0 401.467 1.114 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000611244218 1075885387 /nfs/dbraw/zinc/88/53/87/1075885387.db2.gz JUJQOHHGAFNKJL-ZWKOTPCHSA-N 1 0 401.467 1.114 20 5 HDBDRO C[C@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000611468221 1075942499 /nfs/dbraw/zinc/94/24/99/1075942499.db2.gz ZXMGQFQZILKCTF-GUYCJALGSA-N 1 0 400.501 1.804 20 5 HDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000733158907 1075991066 /nfs/dbraw/zinc/99/10/66/1075991066.db2.gz TXXGUMSZENKKQL-MRXNPFEDSA-N 1 0 400.439 1.549 20 5 HDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733158293 1075991812 /nfs/dbraw/zinc/99/18/12/1075991812.db2.gz MDGXCQCSUSWFHD-SFHVURJKSA-N 1 0 404.467 1.474 20 5 HDBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000733169219 1076000095 /nfs/dbraw/zinc/00/00/95/1076000095.db2.gz WRFMTBUWZPHVNF-UHFFFAOYSA-N 1 0 417.510 1.725 20 5 HDBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000727114029 1076047965 /nfs/dbraw/zinc/04/79/65/1076047965.db2.gz NVNPARYOJMXOHU-INIZCTEOSA-N 1 0 410.496 1.290 20 5 HDBDRO O=C(C[NH+]1CCCCCCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000727105422 1076051967 /nfs/dbraw/zinc/05/19/67/1076051967.db2.gz BCFYYMUCCIGYFB-UHFFFAOYSA-N 1 0 424.523 1.694 20 5 HDBDRO C[NH+](C)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000733367630 1076055239 /nfs/dbraw/zinc/05/52/39/1076055239.db2.gz QQJXVBVQYWFHHP-CYBMUJFWSA-N 1 0 403.888 1.829 20 5 HDBDRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000727836945 1076266062 /nfs/dbraw/zinc/26/60/62/1076266062.db2.gz ZIIFVPFPVWJERV-OAHLLOKOSA-N 1 0 410.521 1.923 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC001164813070 720095509 /nfs/dbraw/zinc/09/55/09/720095509.db2.gz SCBQZAWCZMLKLB-OXJNMPFZSA-N 1 0 404.467 1.961 20 5 HDBDRO Cc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001164716156 720167600 /nfs/dbraw/zinc/16/76/00/720167600.db2.gz YDULAZFXSZQXLW-QGZVFWFLSA-N 1 0 401.471 1.643 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC001164814660 720201449 /nfs/dbraw/zinc/20/14/49/720201449.db2.gz VVSIOPQFJKQGJN-MGPUTAFESA-N 1 0 404.467 1.961 20 5 HDBDRO Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001164715253 720202893 /nfs/dbraw/zinc/20/28/93/720202893.db2.gz KEFNKBZLICZEFN-MRXNPFEDSA-N 1 0 402.459 1.038 20 5 HDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164825099 720290832 /nfs/dbraw/zinc/29/08/32/720290832.db2.gz SJMUULMDYZKSFA-UONOGXRCSA-N 1 0 408.890 1.950 20 5 HDBDRO COc1ncnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001164828454 720318255 /nfs/dbraw/zinc/31/82/55/720318255.db2.gz JNPQIDUWJZCEOW-GJZGRUSLSA-N 1 0 404.471 1.305 20 5 HDBDRO CCOc1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ccc1[N+](=O)[O-] ZINC001164752290 720960450 /nfs/dbraw/zinc/96/04/50/720960450.db2.gz VQJYVAMETUQTFC-UHFFFAOYSA-N 1 0 404.427 1.231 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766640 721082630 /nfs/dbraw/zinc/08/26/30/721082630.db2.gz LBKMLLVXHUQMOI-LSDHHAIUSA-N 1 0 400.439 1.468 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866189 721088822 /nfs/dbraw/zinc/08/88/22/721088822.db2.gz RRZIIGISIVXYRY-JKSUJKDBSA-N 1 0 400.439 1.577 20 5 HDBDRO COc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164891551 721393609 /nfs/dbraw/zinc/39/36/09/721393609.db2.gz QKBTWOWWYGBHSC-OXJNMPFZSA-N 1 0 405.499 1.764 20 5 HDBDRO COC(=O)c1cc(C)nc(NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000573973735 1074807432 /nfs/dbraw/zinc/80/74/32/1074807432.db2.gz NADBPTGVYWSRKA-UHFFFAOYSA-N 1 0 413.478 2.444 20 5 HDBDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000552979865 1075233264 /nfs/dbraw/zinc/23/32/64/1075233264.db2.gz DCMZVNFMAGYMDC-UHFFFAOYSA-N 1 0 412.494 2.099 20 5 HDBDRO CCCN(CCC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000470684858 1075285900 /nfs/dbraw/zinc/28/59/00/1075285900.db2.gz WDUARBWSPMBXIY-UHFFFAOYSA-N 1 0 400.501 1.406 20 5 HDBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000429389283 1075331365 /nfs/dbraw/zinc/33/13/65/1075331365.db2.gz UVJNZAYXQHMEDP-HOCLYGCPSA-N 1 0 412.512 1.392 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087670 1075827145 /nfs/dbraw/zinc/82/71/45/1075827145.db2.gz CARVFQKCIVSRDY-PBHICJAKSA-N 1 0 410.496 1.301 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088297 1075828000 /nfs/dbraw/zinc/82/80/00/1075828000.db2.gz OJFTVXCMFVRSBN-MAUKXSAKSA-N 1 0 424.523 1.691 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088091 1075832184 /nfs/dbraw/zinc/83/21/84/1075832184.db2.gz CJIBZRDTSVDCSE-PBHICJAKSA-N 1 0 408.524 1.999 20 5 HDBDRO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611462180 1075936741 /nfs/dbraw/zinc/93/67/41/1075936741.db2.gz NXGNTTQJDHGMMV-QGZVFWFLSA-N 1 0 418.494 1.758 20 5 HDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000611475218 1075943350 /nfs/dbraw/zinc/94/33/50/1075943350.db2.gz DVXAIJYQQODCFY-VLXJIEOASA-N 1 0 403.439 1.622 20 5 HDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164686326 719701915 /nfs/dbraw/zinc/70/19/15/719701915.db2.gz ZJWLLQTYAHWTNX-UHFFFAOYSA-N 1 0 414.919 1.941 20 5 HDBDRO COc1ncnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164814016 720223530 /nfs/dbraw/zinc/22/35/30/720223530.db2.gz QZPQFYCJZPRQSG-UHFFFAOYSA-N 1 0 403.443 1.201 20 5 HDBDRO COc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164820863 720287193 /nfs/dbraw/zinc/28/71/93/720287193.db2.gz YJCLSLHTBWRZPP-GJZGRUSLSA-N 1 0 404.471 1.305 20 5 HDBDRO COc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164821419 720314981 /nfs/dbraw/zinc/31/49/81/720314981.db2.gz KOIAWAIIMPHKCD-IRXDYDNUSA-N 1 0 403.483 1.910 20 5 HDBDRO COc1cnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001164821414 720315084 /nfs/dbraw/zinc/31/50/84/720315084.db2.gz KOIAWAIIMPHKCD-DLBZAZTESA-N 1 0 403.483 1.910 20 5 HDBDRO CC(C)Oc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164737179 720774813 /nfs/dbraw/zinc/77/48/13/720774813.db2.gz AKQDJUMPLHRAPX-GJZGRUSLSA-N 1 0 400.439 1.909 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164852125 720864834 /nfs/dbraw/zinc/86/48/34/720864834.db2.gz CCFJRWMMHAQBPJ-YOEHRIQHSA-N 1 0 408.455 1.340 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164749628 720951928 /nfs/dbraw/zinc/95/19/28/720951928.db2.gz INIGLSJOAOURKY-UHFFFAOYSA-N 1 0 410.434 1.985 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164752313 720952549 /nfs/dbraw/zinc/95/25/49/720952549.db2.gz XPWOJROMETYTRD-UHFFFAOYSA-N 1 0 411.422 1.380 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164760520 721244709 /nfs/dbraw/zinc/24/47/09/721244709.db2.gz FMNQUCXHYKWFNQ-GJZGRUSLSA-N 1 0 400.439 1.468 20 5 HDBDRO COc1cc(C)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164868940 721271029 /nfs/dbraw/zinc/27/10/29/721271029.db2.gz GOYMAKUMRQQCPW-UHFFFAOYSA-N 1 0 421.498 1.314 20 5 HDBDRO COc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164889352 721380305 /nfs/dbraw/zinc/38/03/05/721380305.db2.gz LTBSANMYHVYFKA-DNVCBOLYSA-N 1 0 406.487 1.159 20 5 HDBDRO COc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164884461 721404254 /nfs/dbraw/zinc/40/42/54/721404254.db2.gz DFBJQQIUZXSIRR-UZLBHIALSA-N 1 0 405.499 1.764 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884571 721411210 /nfs/dbraw/zinc/41/12/10/721411210.db2.gz DXBAPJNFTKDJNH-OXQOHEQNSA-N 1 0 420.514 1.467 20 5 HDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4cccc([N+](=O)[O-])c42)CC3)CC1 ZINC001164794266 721521462 /nfs/dbraw/zinc/52/14/62/721521462.db2.gz AYQBXMNNZPAPKM-UHFFFAOYSA-N 1 0 408.466 1.502 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000611 722251182 /nfs/dbraw/zinc/25/11/82/722251182.db2.gz UIOGTGKHAFGCJB-UHFFFAOYSA-N 1 0 418.454 1.461 20 5 HDBDRO C[NH+](C)CCn1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 ZINC000303012615 1073651503 /nfs/dbraw/zinc/65/15/03/1073651503.db2.gz KMXXZEMQQZTAJC-UHFFFAOYSA-N 1 0 402.411 1.680 20 5 HDBDRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000502000127 1073799685 /nfs/dbraw/zinc/79/96/85/1073799685.db2.gz BWPPYPSAGAIEGT-VXGBXAGGSA-N 1 0 415.288 1.683 20 5 HDBDRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000502000120 1073799782 /nfs/dbraw/zinc/79/97/82/1073799782.db2.gz BWPPYPSAGAIEGT-NWDGAFQWSA-N 1 0 415.288 1.683 20 5 HDBDRO O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000539383261 1074745475 /nfs/dbraw/zinc/74/54/75/1074745475.db2.gz CCXTZOHJHZNDQZ-SFHVURJKSA-N 1 0 414.466 1.710 20 5 HDBDRO C[NH+](C)CC(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000071886904 1075649254 /nfs/dbraw/zinc/64/92/54/1075649254.db2.gz TZNHDLQZBXKJDQ-UHFFFAOYSA-N 1 0 406.486 1.387 20 5 HDBDRO C[C@@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000611468219 1075942505 /nfs/dbraw/zinc/94/25/05/1075942505.db2.gz ZXMGQFQZILKCTF-CXAGYDPISA-N 1 0 400.501 1.804 20 5 HDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000611475278 1075943337 /nfs/dbraw/zinc/94/33/37/1075943337.db2.gz KDPFOCDZBVIQKE-NQCMUKECSA-N 1 0 403.439 1.622 20 5 HDBDRO Cc1c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000733157422 1075990296 /nfs/dbraw/zinc/99/02/96/1075990296.db2.gz ACNSKGXPYXAIAJ-SFHVURJKSA-N 1 0 414.466 1.857 20 5 HDBDRO C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000733306951 1076034593 /nfs/dbraw/zinc/03/45/93/1076034593.db2.gz NQUBQKPZFFMAKR-NSHDSACASA-N 1 0 416.438 1.418 20 5 HDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000728061031 1076314519 /nfs/dbraw/zinc/31/45/19/1076314519.db2.gz ZBCHYOWMKLZORX-NSHDSACASA-N 1 0 404.876 1.114 20 5 HDBDRO Cn1nnc2c1CCN(c1ncc([N+](=O)[O-])cc1F)[C@H]2COCC[NH+]1CCCC1 ZINC001164718202 720176444 /nfs/dbraw/zinc/17/64/44/720176444.db2.gz NDLLFANOLSTANG-INIZCTEOSA-N 1 0 405.434 1.474 20 5 HDBDRO COc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164820865 720287789 /nfs/dbraw/zinc/28/77/89/720287789.db2.gz YJCLSLHTBWRZPP-LSDHHAIUSA-N 1 0 404.471 1.305 20 5 HDBDRO CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164738400 720710781 /nfs/dbraw/zinc/71/07/81/720710781.db2.gz JIDLYCWEPUFSPG-GHMZBOCLSA-N 1 0 423.886 1.892 20 5 HDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)CC[C@H]2C1 ZINC001164856603 720873694 /nfs/dbraw/zinc/87/36/94/720873694.db2.gz IKSVZSKFVLGVDF-SGPPOJGOSA-N 1 0 405.499 1.696 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164766631 721083224 /nfs/dbraw/zinc/08/32/24/721083224.db2.gz LBKMLLVXHUQMOI-CABCVRRESA-N 1 0 400.439 1.468 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC001164874221 721262601 /nfs/dbraw/zinc/26/26/01/721262601.db2.gz JQZIVJNZRQCBPX-UHFFFAOYSA-N 1 0 411.890 1.650 20 5 HDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)cc([N+](=O)[O-])n3)CC2)C1 ZINC001164869432 721269617 /nfs/dbraw/zinc/26/96/17/721269617.db2.gz OBAYRHMQFFEMNC-UHFFFAOYSA-N 1 0 411.890 1.650 20 5 HDBDRO COc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164884460 721403779 /nfs/dbraw/zinc/40/37/79/721403779.db2.gz DFBJQQIUZXSIRR-OXQOHEQNSA-N 1 0 405.499 1.764 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884572 721411371 /nfs/dbraw/zinc/41/13/71/721411371.db2.gz DXBAPJNFTKDJNH-UZLBHIALSA-N 1 0 420.514 1.467 20 5 HDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc4cc([N+](=O)[O-])ccc4n2)CC3)CC1 ZINC001164794085 721510696 /nfs/dbraw/zinc/51/06/96/721510696.db2.gz FBEIJZDIYYWUIA-UHFFFAOYSA-N 1 0 408.466 1.502 20 5 HDBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164794166 721512132 /nfs/dbraw/zinc/51/21/32/721512132.db2.gz IMGKYRNAIYYQSH-UHFFFAOYSA-N 1 0 405.890 1.916 20 5 HDBDRO CCOc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1[N+](=O)[O-] ZINC001164797322 721516315 /nfs/dbraw/zinc/51/63/15/721516315.db2.gz KDQAPSNQYFNGSO-UHFFFAOYSA-N 1 0 401.471 1.353 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001165044552 721939410 /nfs/dbraw/zinc/93/94/10/721939410.db2.gz MZHQTIQYSRVYFT-UHFFFAOYSA-N 1 0 422.482 1.978 20 5 HDBDRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164984288 722099538 /nfs/dbraw/zinc/09/95/38/722099538.db2.gz SBWATHOUESSCDS-RDJZCZTQSA-N 1 0 400.439 1.516 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165002672 722253403 /nfs/dbraw/zinc/25/34/03/722253403.db2.gz SJTZCYORHRHGGG-UHFFFAOYSA-N 1 0 405.459 1.387 20 5 HDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 ZINC000766023510 1073669230 /nfs/dbraw/zinc/66/92/30/1073669230.db2.gz NQBXZUXDVJTPQI-IBGZPJMESA-N 1 0 403.527 1.560 20 5 HDBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000502363649 1073824659 /nfs/dbraw/zinc/82/46/59/1073824659.db2.gz XHFIFYMRGRHIHX-SFHVURJKSA-N 1 0 413.496 1.490 20 5 HDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000751171448 1074307707 /nfs/dbraw/zinc/30/77/07/1074307707.db2.gz KTGIQNAUNWMDTO-UHFFFAOYSA-N 1 0 422.301 1.482 20 5 HDBDRO CC(C)c1cc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000462369718 1074670670 /nfs/dbraw/zinc/67/06/70/1074670670.db2.gz NLBBTWGXYVNIPO-UHFFFAOYSA-N 1 0 408.484 1.965 20 5 HDBDRO COc1cc(OCC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000543610761 1074690769 /nfs/dbraw/zinc/69/07/69/1074690769.db2.gz RBKJOEPWMPMWDR-UHFFFAOYSA-N 1 0 420.510 1.858 20 5 HDBDRO COC(=O)c1cc(C)nc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561257506 1074805654 /nfs/dbraw/zinc/80/56/54/1074805654.db2.gz DNTVTTZIKNZJOF-HOTGVXAUSA-N 1 0 400.435 2.132 20 5 HDBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000437036393 1075163427 /nfs/dbraw/zinc/16/34/27/1075163427.db2.gz LOJSKTDLHCKNDO-UHFFFAOYSA-N 1 0 406.402 2.305 20 5 HDBDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)cc(C(=O)OC)c3[N+](=O)[O-])cn2)CC1 ZINC000552964145 1075234587 /nfs/dbraw/zinc/23/45/87/1075234587.db2.gz PLVJVKYDVZMURJ-UHFFFAOYSA-N 1 0 414.466 2.234 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088298 1075827874 /nfs/dbraw/zinc/82/78/74/1075827874.db2.gz OJFTVXCMFVRSBN-QAPCUYQASA-N 1 0 424.523 1.691 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088092 1075832203 /nfs/dbraw/zinc/83/22/03/1075832203.db2.gz CJIBZRDTSVDCSE-RHSMWYFYSA-N 1 0 408.524 1.999 20 5 HDBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000611176436 1075869876 /nfs/dbraw/zinc/86/98/76/1075869876.db2.gz YEJHERKHILKMEV-UHFFFAOYSA-N 1 0 417.510 1.859 20 5 HDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000611202593 1075877369 /nfs/dbraw/zinc/87/73/69/1075877369.db2.gz YVGITAPLTYUIJA-GOSISDBHSA-N 1 0 412.450 1.335 20 5 HDBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000611248393 1075886753 /nfs/dbraw/zinc/88/67/53/1075886753.db2.gz NSWLCSSSVRARDG-CQSZACIVSA-N 1 0 400.501 1.221 20 5 HDBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000611475377 1075943391 /nfs/dbraw/zinc/94/33/91/1075943391.db2.gz XUBIBVCFZLUVIT-IIYDPXPESA-N 1 0 400.439 1.829 20 5 HDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000611464675 1075945613 /nfs/dbraw/zinc/94/56/13/1075945613.db2.gz HAUTYGXOVRGZKQ-UHFFFAOYSA-N 1 0 405.499 1.189 20 5 HDBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000733158906 1075991116 /nfs/dbraw/zinc/99/11/16/1075991116.db2.gz TXXGUMSZENKKQL-INIZCTEOSA-N 1 0 400.439 1.549 20 5 HDBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733158292 1075991860 /nfs/dbraw/zinc/99/18/60/1075991860.db2.gz MDGXCQCSUSWFHD-GOSISDBHSA-N 1 0 404.467 1.474 20 5 HDBDRO O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733433988 1076066971 /nfs/dbraw/zinc/06/69/71/1076066971.db2.gz FZWWHBYTFUXFNN-UHFFFAOYSA-N 1 0 419.463 1.522 20 5 HDBDRO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728077722 1076334134 /nfs/dbraw/zinc/33/41/34/1076334134.db2.gz MEJSLGCITUPYLA-CYBMUJFWSA-N 1 0 407.427 1.437 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC001164806981 720078274 /nfs/dbraw/zinc/07/82/74/720078274.db2.gz DVQSTRSOLCOSLQ-FOIQADDNSA-N 1 0 404.467 1.961 20 5 HDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC001164813071 720094979 /nfs/dbraw/zinc/09/49/79/720094979.db2.gz SCBQZAWCZMLKLB-OXQOHEQNSA-N 1 0 404.467 1.961 20 5 HDBDRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164863562 721086127 /nfs/dbraw/zinc/08/61/27/721086127.db2.gz CWSPKQJNFJUESA-HUUCEWRRSA-N 1 0 416.438 1.277 20 5 HDBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164865549 721098899 /nfs/dbraw/zinc/09/88/99/721098899.db2.gz MOWDTLMPCKKOCW-JKSUJKDBSA-N 1 0 413.434 1.651 20 5 HDBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164785933 721450690 /nfs/dbraw/zinc/45/06/90/721450690.db2.gz IVCFWCLKXXCTOY-IBGZPJMESA-N 1 0 420.510 1.962 20 5 HDBDRO COc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164984286 722099445 /nfs/dbraw/zinc/09/94/45/722099445.db2.gz SBWATHOUESSCDS-DOTOQJQBSA-N 1 0 400.439 1.516 20 5 HDBDRO CC(=O)N1CCN(c2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2[N+](=O)[O-])CC1 ZINC000302614602 1073612785 /nfs/dbraw/zinc/61/27/85/1073612785.db2.gz VRZAFDNAPCAJKQ-UHFFFAOYSA-N 1 0 417.510 1.866 20 5 HDBDRO CNS(=O)(=O)c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000429318545 1074720503 /nfs/dbraw/zinc/72/05/03/1074720503.db2.gz OKJIJXQFKRGDHH-UHFFFAOYSA-N 1 0 405.480 1.974 20 5 HDBDRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC001129049920 1075266498 /nfs/dbraw/zinc/26/64/98/1075266498.db2.gz XZLOBUVSFCSYMX-UHFFFAOYSA-N 1 0 400.439 1.681 20 5 HDBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000731480414 1075372378 /nfs/dbraw/zinc/37/23/78/1075372378.db2.gz GDINVYMWMGRWJG-UHFFFAOYSA-N 1 0 402.455 1.003 20 5 HDBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732307836 1075695649 /nfs/dbraw/zinc/69/56/49/1075695649.db2.gz OHPJSMIIIQTQJH-CVEARBPZSA-N 1 0 420.466 1.552 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088093 1075832122 /nfs/dbraw/zinc/83/21/22/1075832122.db2.gz CJIBZRDTSVDCSE-WMLDXEAASA-N 1 0 408.524 1.999 20 5 HDBDRO COC(=O)CNC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611166300 1075865574 /nfs/dbraw/zinc/86/55/74/1075865574.db2.gz JRPJGSSALNDABJ-OAHLLOKOSA-N 1 0 406.439 1.163 20 5 HDBDRO CC(C)N1CC[NH+](C2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC000611181105 1075868168 /nfs/dbraw/zinc/86/81/68/1075868168.db2.gz ZWKQXFXQYQTTBA-UHFFFAOYSA-N 1 0 415.538 1.974 20 5 HDBDRO C[C@H](CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000732956735 1075931463 /nfs/dbraw/zinc/93/14/63/1075931463.db2.gz HDWNYVMLSVSTLV-QAPCUYQASA-N 1 0 424.523 1.739 20 5 HDBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733153637 1075987693 /nfs/dbraw/zinc/98/76/93/1075987693.db2.gz FZRCFNXBJHMHIJ-UHFFFAOYSA-N 1 0 406.483 1.614 20 5 HDBDRO Cc1cc(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(N)c([N+](=O)[O-])c1 ZINC000727899774 1076278547 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/nfs/dbraw/zinc/12/79/89/720127989.db2.gz BYXWZQBQHITMJY-QRWLVFNGSA-N 1 0 404.467 1.961 20 5 HDBDRO COc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164823919 720303448 /nfs/dbraw/zinc/30/34/48/720303448.db2.gz QRTYITFZKBUDRH-HOTGVXAUSA-N 1 0 403.483 1.910 20 5 HDBDRO COc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001164823921 720303488 /nfs/dbraw/zinc/30/34/88/720303488.db2.gz QRTYITFZKBUDRH-JKSUJKDBSA-N 1 0 403.483 1.910 20 5 HDBDRO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738506 720825556 /nfs/dbraw/zinc/82/55/56/720825556.db2.gz GEJSOCQMBPIAHE-LZLYRXPVSA-N 1 0 413.482 1.969 20 5 HDBDRO COc1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740323 720828539 /nfs/dbraw/zinc/82/85/39/720828539.db2.gz KEVGODSIBMEPLF-OWCLPIDISA-N 1 0 414.470 1.364 20 5 HDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852877 720838355 /nfs/dbraw/zinc/83/83/55/720838355.db2.gz MEDSXGFQITZEHB-RYUDHWBXSA-N 1 0 417.919 1.934 20 5 HDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164860961 720857044 /nfs/dbraw/zinc/85/70/44/720857044.db2.gz XMODXEGKMSJDLQ-KUHUBIRLSA-N 1 0 417.466 1.720 20 5 HDBDRO COC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164865547 721098453 /nfs/dbraw/zinc/09/84/53/721098453.db2.gz MOWDTLMPCKKOCW-HOTGVXAUSA-N 1 0 413.434 1.651 20 5 HDBDRO COC(=O)c1ccnc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764345 721147937 /nfs/dbraw/zinc/14/79/37/721147937.db2.gz HSXULZYDVDBKLE-LSDHHAIUSA-N 1 0 400.439 1.468 20 5 HDBDRO CCOc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ccc1[N+](=O)[O-] ZINC001164874494 721281295 /nfs/dbraw/zinc/28/12/95/721281295.db2.gz SRVOHSABHBRLIU-UHFFFAOYSA-N 1 0 421.498 1.396 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977337 722118211 /nfs/dbraw/zinc/11/82/11/722118211.db2.gz MOTGCZWFZAVNPQ-IRXDYDNUSA-N 1 0 414.466 1.824 20 5 HDBDRO COC(=O)c1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c([N+](=O)[O-])c1 ZINC001164999563 722252162 /nfs/dbraw/zinc/25/21/62/722252162.db2.gz BYEIXLKXJQGDAM-UHFFFAOYSA-N 1 0 418.454 1.461 20 5 HDBDRO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C[NH+]1CCN(C)CC1 ZINC000303501528 1073743724 /nfs/dbraw/zinc/74/37/24/1073743724.db2.gz APNWRIVCBMDQIN-KRWDZBQOSA-N 1 0 403.527 1.811 20 5 HDBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000303532326 1073748370 /nfs/dbraw/zinc/74/83/70/1073748370.db2.gz GQCWUHPDXKSGMJ-INIZCTEOSA-N 1 0 400.483 1.784 20 5 HDBDRO COC[C@H]1CCCCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000466631413 1074169067 /nfs/dbraw/zinc/16/90/67/1074169067.db2.gz WLUAMTHPFTUNKX-HNNXBMFYSA-N 1 0 414.528 1.688 20 5 HDBDRO COC(=O)c1cc(C)nc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000576967689 1074806790 /nfs/dbraw/zinc/80/67/90/1074806790.db2.gz SAAJXPFTBTZFTO-HXUWFJFHSA-N 1 0 400.435 2.134 20 5 HDBDRO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000427579398 1075333767 /nfs/dbraw/zinc/33/37/67/1075333767.db2.gz KRLXQWXFPYAXLI-AWEZNQCLSA-N 1 0 414.466 2.182 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000731606102 1075397212 /nfs/dbraw/zinc/39/72/12/1075397212.db2.gz IBVRCXVKPSKWEI-UHFFFAOYSA-N 1 0 413.430 1.969 20 5 HDBDRO C[NH+]1CCN(c2ccc(CNC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])cn2)CC1 ZINC000731604414 1075409302 /nfs/dbraw/zinc/40/93/02/1075409302.db2.gz MLEKEALHLFPFPK-UHFFFAOYSA-N 1 0 413.434 1.249 20 5 HDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731640383 1075441570 /nfs/dbraw/zinc/44/15/70/1075441570.db2.gz ZVCBYZOXTRDOCI-KRWDZBQOSA-N 1 0 404.467 1.415 20 5 HDBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000731903755 1075563728 /nfs/dbraw/zinc/56/37/28/1075563728.db2.gz URXNLRSAYXDDST-UHFFFAOYSA-N 1 0 424.445 1.962 20 5 HDBDRO C[N@H+](CCOc1cccc(CNc2ncc([N+](=O)[O-])c(N)n2)c1)C1CCOCC1 ZINC000609075239 1075663749 /nfs/dbraw/zinc/66/37/49/1075663749.db2.gz ZPGJRUHODMGQLY-UHFFFAOYSA-N 1 0 402.455 1.491 20 5 HDBDRO COC(=O)CNC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000732200270 1075674304 /nfs/dbraw/zinc/67/43/04/1075674304.db2.gz ZMWYYDOTXNPIOU-UHFFFAOYSA-N 1 0 418.372 1.415 20 5 HDBDRO CN(C[C@@H]1CCC[C@@H]1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611104593 1075836781 /nfs/dbraw/zinc/83/67/81/1075836781.db2.gz SSPSZZCHFLZMFI-KSSFIOAISA-N 1 0 414.528 1.422 20 5 HDBDRO CC(C)(CO)[NH+]1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000611165931 1075865297 /nfs/dbraw/zinc/86/52/97/1075865297.db2.gz KMWUFDSNKIQKIG-UHFFFAOYSA-N 1 0 406.439 1.198 20 5 HDBDRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000611176412 1075869822 /nfs/dbraw/zinc/86/98/22/1075869822.db2.gz OVQJJUXKSILZGM-UHFFFAOYSA-N 1 0 403.483 1.550 20 5 HDBDRO CCOc1ccc(NC(=O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244281 1075885111 /nfs/dbraw/zinc/88/51/11/1075885111.db2.gz NSJVTTGYCWXDAH-KRWDZBQOSA-N 1 0 419.482 1.346 20 5 HDBDRO C[C@@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000611468220 1075942420 /nfs/dbraw/zinc/94/24/20/1075942420.db2.gz ZXMGQFQZILKCTF-DYVFJYSZSA-N 1 0 400.501 1.804 20 5 HDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000611475226 1075943583 /nfs/dbraw/zinc/94/35/83/1075943583.db2.gz DZRRZBFIVBFITQ-PBFPGSCMSA-N 1 0 400.439 1.829 20 5 HDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000611475227 1075943625 /nfs/dbraw/zinc/94/36/25/1075943625.db2.gz DZRRZBFIVBFITQ-XNJGSVPQSA-N 1 0 400.439 1.829 20 5 HDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000611464868 1075945981 /nfs/dbraw/zinc/94/59/81/1075945981.db2.gz RRQDPGQPTPAZMQ-MRXNPFEDSA-N 1 0 404.467 1.415 20 5 HDBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611519537 1075953504 /nfs/dbraw/zinc/95/35/04/1075953504.db2.gz XDTUXJGCTOYHCW-FQEVSTJZSA-N 1 0 418.519 1.851 20 5 HDBDRO Cc1c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000733157421 1075990317 /nfs/dbraw/zinc/99/03/17/1075990317.db2.gz ACNSKGXPYXAIAJ-GOSISDBHSA-N 1 0 414.466 1.857 20 5 HDBDRO CNC(=O)NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727438106 1076120783 /nfs/dbraw/zinc/12/07/83/1076120783.db2.gz PEZIOAMDFQVRFD-UHFFFAOYSA-N 1 0 403.361 1.581 20 5 HDBDRO COC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC000733795904 1076216447 /nfs/dbraw/zinc/21/64/47/1076216447.db2.gz LMHFLHARZFXOID-GOSISDBHSA-N 1 0 416.478 1.519 20 5 HDBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000730268537 1076509628 /nfs/dbraw/zinc/50/96/28/1076509628.db2.gz BGTYTCNZYSBWND-NSHDSACASA-N 1 0 421.317 1.272 20 5 HDBDRO Cn1nnc2c1CCN(c1ncc(F)cc1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164711338 720172983 /nfs/dbraw/zinc/17/29/83/720172983.db2.gz BAEUJOCQYGKESM-INIZCTEOSA-N 1 0 405.434 1.474 20 5 HDBDRO Cn1nnc2c1CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715425 720176165 /nfs/dbraw/zinc/17/61/65/720176165.db2.gz BTHLELITUUMCKH-OAHLLOKOSA-N 1 0 421.889 1.988 20 5 HDBDRO Cn1nnc2c1CCN(c1cc(Cl)cc([N+](=O)[O-])n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715424 720176389 /nfs/dbraw/zinc/17/63/89/720176389.db2.gz BTHLELITUUMCKH-HNNXBMFYSA-N 1 0 421.889 1.988 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164833307 720318813 /nfs/dbraw/zinc/31/88/13/720318813.db2.gz VWZCFEIARROEPD-CVEARBPZSA-N 1 0 418.498 1.613 20 5 HDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738297 720660207 /nfs/dbraw/zinc/66/02/07/720660207.db2.gz IUTPAJBEFBDSCZ-NXEZZACHSA-N 1 0 412.237 1.824 20 5 HDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164857713 720886226 /nfs/dbraw/zinc/88/62/26/720886226.db2.gz KLGVVKFQTJMQSH-GOEBONIOSA-N 1 0 408.455 1.340 20 5 HDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865116 721110178 /nfs/dbraw/zinc/11/01/78/721110178.db2.gz IMAFCRXEVVHKMX-HZPDHXFCSA-N 1 0 405.842 1.756 20 5 HDBDRO COC(=O)c1ccnc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764343 721148875 /nfs/dbraw/zinc/14/88/75/721148875.db2.gz HSXULZYDVDBKLE-HUUCEWRRSA-N 1 0 400.439 1.468 20 5 HDBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164761918 721230219 /nfs/dbraw/zinc/23/02/19/721230219.db2.gz KIMIQATWXVMZNK-CVEARBPZSA-N 1 0 414.466 1.858 20 5 HDBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164760524 721245145 /nfs/dbraw/zinc/24/51/45/721245145.db2.gz FMNQUCXHYKWFNQ-LSDHHAIUSA-N 1 0 400.439 1.468 20 5 HDBDRO Cc1c(C)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164875963 721275883 /nfs/dbraw/zinc/27/58/83/721275883.db2.gz ZSZAKWSDPWQIDG-UHFFFAOYSA-N 1 0 405.499 1.614 20 5 HDBDRO Cc1cc([N+](=O)[O-])c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1Cl ZINC001164794232 721511945 /nfs/dbraw/zinc/51/19/45/721511945.db2.gz LTVKJAXGKDCTID-UHFFFAOYSA-N 1 0 405.890 1.916 20 5 HDBDRO C[NH+]1CCN(Cc2ccc(CNc3cccc(S(N)(=O)=O)c3[N+](=O)[O-])cc2)CC1 ZINC000302140460 1073586721 /nfs/dbraw/zinc/58/67/21/1073586721.db2.gz ORNRPIKPMANGNG-UHFFFAOYSA-N 1 0 419.507 1.602 20 5 HDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000489793482 1073590985 /nfs/dbraw/zinc/59/09/85/1073590985.db2.gz CMSZYZQSVVRRJL-WMZOPIPTSA-N 1 0 403.483 1.935 20 5 HDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000429178217 1073958628 /nfs/dbraw/zinc/95/86/28/1073958628.db2.gz SRVXLNPTYIXWKU-IAQYHMDHSA-N 1 0 415.288 1.683 20 5 HDBDRO CC(C)c1cc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000462371264 1074670636 /nfs/dbraw/zinc/67/06/36/1074670636.db2.gz TVXPEEBPTMWGRU-UHFFFAOYSA-N 1 0 408.484 1.965 20 5 HDBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000567081552 1074770721 /nfs/dbraw/zinc/77/07/21/1074770721.db2.gz ZZPNXVBFOIGESR-UHFFFAOYSA-N 1 0 419.401 1.954 20 5 HDBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000429389279 1075331354 /nfs/dbraw/zinc/33/13/54/1075331354.db2.gz UVJNZAYXQHMEDP-GDBMZVCRSA-N 1 0 412.512 1.392 20 5 HDBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000731466234 1075356854 /nfs/dbraw/zinc/35/68/54/1075356854.db2.gz DLMVKPMCVRTOQN-AWEZNQCLSA-N 1 0 408.414 1.710 20 5 HDBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000731480667 1075372090 /nfs/dbraw/zinc/37/20/90/1075372090.db2.gz IWCYCVASWKOEBE-UHFFFAOYSA-N 1 0 417.510 1.868 20 5 HDBDRO O=Cc1ccc(OCC(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000731736215 1075487147 /nfs/dbraw/zinc/48/71/47/1075487147.db2.gz YHKVTZMXMRCTPK-UHFFFAOYSA-N 1 0 405.407 1.072 20 5 HDBDRO CC[N@@H+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C[C@H]1C ZINC000611088227 1075827633 /nfs/dbraw/zinc/82/76/33/1075827633.db2.gz KHTDAVYFXPUCGX-CVEARBPZSA-N 1 0 424.523 1.548 20 5 HDBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611209936 1075874710 /nfs/dbraw/zinc/87/47/10/1075874710.db2.gz OWIAHCJGPUUUQU-SFHVURJKSA-N 1 0 417.510 1.675 20 5 HDBDRO NC(=O)c1ccc(SCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000733157898 1075990034 /nfs/dbraw/zinc/99/00/34/1075990034.db2.gz ADUKNAPIKCYIND-HNNXBMFYSA-N 1 0 422.507 1.545 20 5 HDBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733882298 1076238436 /nfs/dbraw/zinc/23/84/36/1076238436.db2.gz GPAFEQWWMATDLZ-UHFFFAOYSA-N 1 0 405.499 1.189 20 5 HDBDRO C[NH+]1CCN(C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000727836942 1076266080 /nfs/dbraw/zinc/26/60/80/1076266080.db2.gz ZIIFVPFPVWJERV-HNNXBMFYSA-N 1 0 410.521 1.923 20 5 HDBDRO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728073361 1076333492 /nfs/dbraw/zinc/33/34/92/1076333492.db2.gz RRVKMZBHLRWIFC-OAHLLOKOSA-N 1 0 407.427 1.484 20 5 HDBDRO COc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000730106644 1076439469 /nfs/dbraw/zinc/43/94/69/1076439469.db2.gz FSXPKELFECNKOI-UHFFFAOYSA-N 1 0 410.408 1.580 20 5 HDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000730574733 1076607513 /nfs/dbraw/zinc/60/75/13/1076607513.db2.gz ANCYGVFRBLVZIE-AWEZNQCLSA-N 1 0 400.476 1.525 20 5 HDBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)C1 ZINC000731008593 1076709540 /nfs/dbraw/zinc/70/95/40/1076709540.db2.gz JUYBBALKSZUNDE-QGZVFWFLSA-N 1 0 411.462 1.804 20 5 HDBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164637940 719258218 /nfs/dbraw/zinc/25/82/18/719258218.db2.gz XGQGFBHBPXXOCJ-QWHCGFSZSA-N 1 0 408.455 1.728 20 5 HDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682660 719651165 /nfs/dbraw/zinc/65/11/65/719651165.db2.gz SPCVVFPERLYKEG-UHFFFAOYSA-N 1 0 402.459 1.323 20 5 HDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CCC2 ZINC001164812030 720229051 /nfs/dbraw/zinc/22/90/51/720229051.db2.gz ASDRXDBFAHUORQ-UHFFFAOYSA-N 1 0 422.873 1.689 20 5 HDBDRO COc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164820862 720287824 /nfs/dbraw/zinc/28/78/24/720287824.db2.gz YJCLSLHTBWRZPP-CABCVRRESA-N 1 0 404.471 1.305 20 5 HDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164833311 720318337 /nfs/dbraw/zinc/31/83/37/720318337.db2.gz VWZCFEIARROEPD-HZPDHXFCSA-N 1 0 418.498 1.613 20 5 HDBDRO CCOC(=O)c1nc(Cl)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164733205 720506741 /nfs/dbraw/zinc/50/67/41/720506741.db2.gz YJUFOGWHRFAXLJ-LLVKDONJSA-N 1 0 423.861 1.609 20 5 HDBDRO CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164738403 720710438 /nfs/dbraw/zinc/71/04/38/720710438.db2.gz JIDLYCWEPUFSPG-MNOVXSKESA-N 1 0 423.886 1.892 20 5 HDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746835 720729457 /nfs/dbraw/zinc/72/94/57/720729457.db2.gz YSJLZTDEZONOBJ-LSDHHAIUSA-N 1 0 414.422 1.298 20 5 HDBDRO Cc1nc(Cl)nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001164752141 720945312 /nfs/dbraw/zinc/94/53/12/720945312.db2.gz VIDWZOKDHBTUBW-UHFFFAOYSA-N 1 0 409.834 1.189 20 5 HDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164754708 720967850 /nfs/dbraw/zinc/96/78/50/720967850.db2.gz UOXCYSCBGYEMQK-UHFFFAOYSA-N 1 0 411.422 1.380 20 5 HDBDRO COC(=O)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164866049 721069781 /nfs/dbraw/zinc/06/97/81/721069781.db2.gz CCTMLKSTYFYTBV-DLBZAZTESA-N 1 0 413.434 1.651 20 5 HDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764782 721240185 /nfs/dbraw/zinc/24/01/85/721240185.db2.gz QBBLNGDYFSWKLO-JKSUJKDBSA-N 1 0 414.470 1.343 20 5 HDBDRO COc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164891556 721393704 /nfs/dbraw/zinc/39/37/04/721393704.db2.gz QKBTWOWWYGBHSC-UZLBHIALSA-N 1 0 405.499 1.764 20 5 HDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165007383 721730973 /nfs/dbraw/zinc/73/09/73/721730973.db2.gz CCJCSIBPDYOLGB-UHFFFAOYSA-N 1 0 405.455 1.299 20 5 HDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165013307 721749986 /nfs/dbraw/zinc/74/99/86/721749986.db2.gz XQQDMMUMEAXALG-UHFFFAOYSA-N 1 0 419.486 1.175 20 5 HDBDRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)Cc1ccccc1 ZINC000555698005 1073483321 /nfs/dbraw/zinc/48/33/21/1073483321.db2.gz GUEVGVGSHLBJHK-SFHVURJKSA-N 1 0 410.474 1.769 20 5 HDBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000489811459 1073593325 /nfs/dbraw/zinc/59/33/25/1073593325.db2.gz YPKMZFWIDQVDMI-KBPBESRZSA-N 1 0 409.512 1.997 20 5 HDBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(OC)c1 ZINC000303053963 1073656474 /nfs/dbraw/zinc/65/64/74/1073656474.db2.gz WDDCHQCWVMDMOK-GOSISDBHSA-N 1 0 402.451 1.964 20 5 HDBDRO Cc1ccc(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000543532177 1074025828 /nfs/dbraw/zinc/02/58/28/1074025828.db2.gz BYXDHVCMZVBVNA-UHFFFAOYSA-N 1 0 417.510 1.718 20 5 HDBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000466662237 1074712214 /nfs/dbraw/zinc/71/22/14/1074712214.db2.gz WUMMOODUPMFSJC-GASCZTMLSA-N 1 0 410.496 1.301 20 5 HDBDRO O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000539383260 1074745549 /nfs/dbraw/zinc/74/55/49/1074745549.db2.gz CCXTZOHJHZNDQZ-GOSISDBHSA-N 1 0 414.466 1.710 20 5 HDBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000543635990 1075208018 /nfs/dbraw/zinc/20/80/18/1075208018.db2.gz XLNLNHZQSFCJGQ-UHFFFAOYSA-N 1 0 401.485 1.763 20 5 HDBDRO C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000427032263 1075584247 /nfs/dbraw/zinc/58/42/47/1075584247.db2.gz AKWPSVARFBCEFM-CYBMUJFWSA-N 1 0 400.439 1.874 20 5 HDBDRO Cc1ccccc1[C@H](O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000732805086 1075862316 /nfs/dbraw/zinc/86/23/16/1075862316.db2.gz CFHXYFGJHULJJD-LJQANCHMSA-N 1 0 422.507 1.889 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000611167694 1075866328 /nfs/dbraw/zinc/86/63/28/1075866328.db2.gz AGZXUMFZNBDMAT-UHFFFAOYSA-N 1 0 414.503 1.913 20 5 HDBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000611244208 1075885283 /nfs/dbraw/zinc/88/52/83/1075885283.db2.gz JLFQXOXQQIRWCO-QGZVFWFLSA-N 1 0 419.482 1.346 20 5 HDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000611248395 1075886695 /nfs/dbraw/zinc/88/66/95/1075886695.db2.gz NXYPQWJTGMKCFP-HNNXBMFYSA-N 1 0 416.569 1.632 20 5 HDBDRO COCCC[NH+]1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000727030892 1076028788 /nfs/dbraw/zinc/02/87/88/1076028788.db2.gz CSMZSYUWEAPTLO-UHFFFAOYSA-N 1 0 405.499 1.927 20 5 HDBDRO NC(=O)CC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000727158640 1076071221 /nfs/dbraw/zinc/07/12/21/1076071221.db2.gz WFXUTDWCAPTUDP-MRXNPFEDSA-N 1 0 403.483 1.221 20 5 HDBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727333329 1076098587 /nfs/dbraw/zinc/09/85/87/1076098587.db2.gz FXWLRTCYMMHCOO-UHFFFAOYSA-N 1 0 413.478 1.882 20 5 HDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000733993842 1076285861 /nfs/dbraw/zinc/28/58/61/1076285861.db2.gz AVTJNEKTSNKPBS-LJQANCHMSA-N 1 0 422.507 1.754 20 5 HDBDRO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728054845 1076321585 /nfs/dbraw/zinc/32/15/85/1076321585.db2.gz DAXVFVZWRZGTHN-INIZCTEOSA-N 1 0 404.467 1.328 20 5 HDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C2 ZINC001164807339 720128470 /nfs/dbraw/zinc/12/84/70/720128470.db2.gz BYXWZQBQHITMJY-MGPUTAFESA-N 1 0 404.467 1.961 20 5 HDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001164825096 720290710 /nfs/dbraw/zinc/29/07/10/720290710.db2.gz SJMUULMDYZKSFA-KGLIPLIRSA-N 1 0 408.890 1.950 20 5 HDBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738309 720660122 /nfs/dbraw/zinc/66/01/22/720660122.db2.gz IUTPAJBEFBDSCZ-ZJUUUORDSA-N 1 0 412.237 1.824 20 5 HDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164863560 721086235 /nfs/dbraw/zinc/08/62/35/721086235.db2.gz CWSPKQJNFJUESA-CABCVRRESA-N 1 0 416.438 1.277 20 5 HDBDRO COC(=O)c1ccnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764339 721148707 /nfs/dbraw/zinc/14/87/07/721148707.db2.gz HSXULZYDVDBKLE-CABCVRRESA-N 1 0 400.439 1.468 20 5 HDBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886783 721397807 /nfs/dbraw/zinc/39/78/07/721397807.db2.gz GGUJVCQGTJIZCB-QFBILLFUSA-N 1 0 420.470 1.663 20 5 HDBDRO COc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164984287 722099302 /nfs/dbraw/zinc/09/93/02/722099302.db2.gz SBWATHOUESSCDS-NVXWUHKLSA-N 1 0 400.439 1.516 20 5 HDBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000466662238 1074712098 /nfs/dbraw/zinc/71/20/98/1074712098.db2.gz WUMMOODUPMFSJC-GJZGRUSLSA-N 1 0 410.496 1.301 20 5 HDBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731623510 1075418181 /nfs/dbraw/zinc/41/81/81/1075418181.db2.gz UWABTUHFNNSQGN-IRXDYDNUSA-N 1 0 418.494 1.803 20 5 HDBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000555298898 1075763539 /nfs/dbraw/zinc/76/35/39/1075763539.db2.gz ZSFHQVACZBMOOZ-UHFFFAOYSA-N 1 0 414.466 1.698 20 5 HDBDRO CN(C[C@@H]1CCC[C@H]1O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000611104591 1075836843 /nfs/dbraw/zinc/83/68/43/1075836843.db2.gz SSPSZZCHFLZMFI-KBXCAEBGSA-N 1 0 414.528 1.422 20 5 HDBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000611151262 1075862895 /nfs/dbraw/zinc/86/28/95/1075862895.db2.gz USBHHXABMCTBFR-MRXNPFEDSA-N 1 0 401.467 1.141 20 5 HDBDRO COC(=O)[C@@H](C)NC(=O)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000611165788 1075865633 /nfs/dbraw/zinc/86/56/33/1075865633.db2.gz OKOSLDLLHQBEKW-CZUORRHYSA-N 1 0 420.466 1.551 20 5 HDBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)CC1 ZINC000611177016 1075869481 /nfs/dbraw/zinc/86/94/81/1075869481.db2.gz XZKIXEDUJXUBAC-UHFFFAOYSA-N 1 0 418.494 1.997 20 5 HDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000611194586 1075870727 /nfs/dbraw/zinc/87/07/27/1075870727.db2.gz ZDOJXCWLRMRDAF-CQSZACIVSA-N 1 0 415.450 1.365 20 5 HDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000611194585 1075870742 /nfs/dbraw/zinc/87/07/42/1075870742.db2.gz ZDOJXCWLRMRDAF-AWEZNQCLSA-N 1 0 415.450 1.365 20 5 HDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244240 1075885269 /nfs/dbraw/zinc/88/52/69/1075885269.db2.gz MOCPVLOMGJHDNU-DYVFJYSZSA-N 1 0 419.482 1.345 20 5 HDBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244239 1075885376 /nfs/dbraw/zinc/88/53/76/1075885376.db2.gz MOCPVLOMGJHDNU-CXAGYDPISA-N 1 0 419.482 1.345 20 5 HDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000611248396 1075886953 /nfs/dbraw/zinc/88/69/53/1075886953.db2.gz NXYPQWJTGMKCFP-OAHLLOKOSA-N 1 0 416.569 1.632 20 5 HDBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)CC1 ZINC000611462365 1075936640 /nfs/dbraw/zinc/93/66/40/1075936640.db2.gz QWVJCSFTUHPWSW-MRXNPFEDSA-N 1 0 417.510 1.330 20 5 HDBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000611475279 1075943371 /nfs/dbraw/zinc/94/33/71/1075943371.db2.gz KDPFOCDZBVIQKE-QHRIQVFBSA-N 1 0 403.439 1.622 20 5 HDBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733158434 1075991407 /nfs/dbraw/zinc/99/14/07/1075991407.db2.gz MXKBADLCCXOPAN-INIZCTEOSA-N 1 0 421.450 1.554 20 5 HDBDRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000727333710 1076095044 /nfs/dbraw/zinc/09/50/44/1076095044.db2.gz LQXYNKCBZYMKQR-UHFFFAOYSA-N 1 0 424.461 1.552 20 5 HDBDRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000727460472 1076134844 /nfs/dbraw/zinc/13/48/44/1076134844.db2.gz NMLXBLHLRDDYEK-UHFFFAOYSA-N 1 0 424.454 1.504 20 5 HDBDRO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728054849 1076321503 /nfs/dbraw/zinc/32/15/03/1076321503.db2.gz DAXVFVZWRZGTHN-MRXNPFEDSA-N 1 0 404.467 1.328 20 5 HDBDRO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728072929 1076332925 /nfs/dbraw/zinc/33/29/25/1076332925.db2.gz MZARTVLZJAVBMZ-HNNXBMFYSA-N 1 0 421.454 1.792 20 5 HDBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000730268975 1076509113 /nfs/dbraw/zinc/50/91/13/1076509113.db2.gz KLRFKGYYNSNLJT-NSHDSACASA-N 1 0 421.317 1.272 20 5 HDBDRO