smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1cccnc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598532215 992796031 /nfs/dbraw/zinc/79/60/31/992796031.db2.gz XNIAVMZWRYUMFK-UHFFFAOYSA-N 0 1 331.328 2.085 20 5 EEBDMN C[N@@H+](Cc1cccnc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598532215 992796035 /nfs/dbraw/zinc/79/60/35/992796035.db2.gz XNIAVMZWRYUMFK-UHFFFAOYSA-N 0 1 331.328 2.085 20 5 EEBDMN COc1cc(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC001599408753 997382565 /nfs/dbraw/zinc/38/25/65/997382565.db2.gz NGHPILYAYLGEGZ-VFZGTOFNSA-N 0 1 326.324 2.285 20 5 EEBDMN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000193673918 240258882 /nfs/dbraw/zinc/25/88/82/240258882.db2.gz SZTLWXPNLUXPRA-MEDUHNTESA-N 0 1 329.356 2.469 20 5 EEBDMN Cc1ccn(C2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)n1 ZINC000447618641 242296555 /nfs/dbraw/zinc/29/65/55/242296555.db2.gz ITADYCKTXZKGCF-UHFFFAOYSA-N 0 1 346.391 2.424 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418788 243107615 /nfs/dbraw/zinc/10/76/15/243107615.db2.gz NBIGSGRACXRZHK-DJIMGWMZSA-N 0 1 347.415 2.467 20 5 EEBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2CCCC[C@H]2C1 ZINC000246116734 205177617 /nfs/dbraw/zinc/17/76/17/205177617.db2.gz ACASPIGHRVNSFW-BBRMVZONSA-N 0 1 332.404 2.092 20 5 EEBDMN Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000112076670 220238759 /nfs/dbraw/zinc/23/87/59/220238759.db2.gz NLKFEQRBIPNOTC-CYBMUJFWSA-N 0 1 343.387 2.065 20 5 EEBDMN O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156967779 206109278 /nfs/dbraw/zinc/10/92/78/206109278.db2.gz YNBBGTHCKAKYIO-IINYFYTJSA-N 0 1 330.344 2.159 20 5 EEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCC2)CC1 ZINC000265096869 247200285 /nfs/dbraw/zinc/20/02/85/247200285.db2.gz CGNQXBJJQSHAGX-CYBMUJFWSA-N 0 1 332.404 2.092 20 5 EEBDMN CCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000270855836 256180023 /nfs/dbraw/zinc/18/00/23/256180023.db2.gz KQJDIPDSJYSEOB-SECBINFHSA-N 0 1 340.343 2.315 20 5 EEBDMN Cc1cccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272978340 256253857 /nfs/dbraw/zinc/25/38/57/256253857.db2.gz XLCYDECKSGABMM-UHFFFAOYSA-N 0 1 334.397 2.467 20 5 EEBDMN CCCc1n[nH]c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000271218377 256221760 /nfs/dbraw/zinc/22/17/60/256221760.db2.gz ZLGRXCGEYNCWNB-QMMMGPOBSA-N 0 1 335.368 2.003 20 5 EEBDMN COc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271747221 256240189 /nfs/dbraw/zinc/24/01/89/256240189.db2.gz WUVBUOOXHIXQBU-DOMZBBRYSA-N 0 1 342.417 2.049 20 5 EEBDMN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000273424989 256295576 /nfs/dbraw/zinc/29/55/76/256295576.db2.gz TVRFCZJEAGXZJC-YPMHNXCESA-N 0 1 334.307 2.107 20 5 EEBDMN C[C@@H](O)CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000276258342 256416000 /nfs/dbraw/zinc/41/60/00/256416000.db2.gz ARUFRDFXKZWKKZ-NWDGAFQWSA-N 0 1 327.812 2.135 20 5 EEBDMN COc1cccc(N2CCC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000185407199 286456462 /nfs/dbraw/zinc/45/64/62/286456462.db2.gz MULURPKSTUPUHS-AWEZNQCLSA-N 0 1 335.404 2.152 20 5 EEBDMN O=[N+]([O-])c1cnc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000249295311 160377499 /nfs/dbraw/zinc/37/74/99/160377499.db2.gz QXICHXSCVDZZCK-KGLIPLIRSA-N 0 1 348.428 2.346 20 5 EEBDMN Cc1cccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1[N+](=O)[O-] ZINC000089798262 159186709 /nfs/dbraw/zinc/18/67/09/159186709.db2.gz QXQHYGNTSLAQJN-UHFFFAOYSA-N 0 1 339.311 2.131 20 5 EEBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000338521926 160773582 /nfs/dbraw/zinc/77/35/82/160773582.db2.gz AYFNHOSPBBKINE-ZDUSSCGKSA-N 0 1 333.388 2.302 20 5 EEBDMN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000341957870 161027178 /nfs/dbraw/zinc/02/71/78/161027178.db2.gz UTECGNGLGLYNGU-SECBINFHSA-N 0 1 340.380 2.209 20 5 EEBDMN CC[C@H](NCC(=O)N[C@H](C(C)=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000342296013 161054419 /nfs/dbraw/zinc/05/44/19/161054419.db2.gz PSVGXPAMVKQMJA-RDJZCZTQSA-N 0 1 335.404 2.365 20 5 EEBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)[C@@H]3CCOC3)cs2)c1 ZINC000344482959 161232197 /nfs/dbraw/zinc/23/21/97/161232197.db2.gz KOXANVLUKBNQMV-IUODEOHRSA-N 0 1 349.412 2.205 20 5 EEBDMN COCC(C)(C)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000344887164 161253863 /nfs/dbraw/zinc/25/38/63/161253863.db2.gz QJCVEIDOOBXGST-UHFFFAOYSA-N 0 1 348.396 2.465 20 5 EEBDMN CN(CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000345815271 161334479 /nfs/dbraw/zinc/33/44/79/161334479.db2.gz XCRPHDIPGNCYCP-GFCCVEGCSA-N 0 1 337.445 2.383 20 5 EEBDMN CCN1C[C@@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345975074 161346709 /nfs/dbraw/zinc/34/67/09/161346709.db2.gz XTKOQMGHZBFTDE-ZIAGYGMSSA-N 0 1 335.404 2.305 20 5 EEBDMN CCN1C[C@H](C)N(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000345974132 161346962 /nfs/dbraw/zinc/34/69/62/161346962.db2.gz XRJIAGGZALTGIK-QWRGUYRKSA-N 0 1 331.376 2.026 20 5 EEBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(F)(c2cccnc2)CC1 ZINC000375362075 167119392 /nfs/dbraw/zinc/11/93/92/167119392.db2.gz NJRZKHOINDMLSL-UHFFFAOYSA-N 0 1 346.362 2.112 20 5 EEBDMN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]1OC ZINC000274973227 269081186 /nfs/dbraw/zinc/08/11/86/269081186.db2.gz WNRNJLSVLIIWGI-MRVWCRGKSA-N 0 1 346.330 2.478 20 5 EEBDMN CCC[C@@]1(CO)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000277805871 269185354 /nfs/dbraw/zinc/18/53/54/269185354.db2.gz PQQLRXFBSSEVHW-SFHVURJKSA-N 0 1 347.415 2.111 20 5 EEBDMN Cc1n[nH]c(C(=O)N2CCC(Oc3ccncc3C)CC2)c1[N+](=O)[O-] ZINC000278484767 269232997 /nfs/dbraw/zinc/23/29/97/269232997.db2.gz AZXRIORXJDLCDP-UHFFFAOYSA-N 0 1 345.359 2.013 20 5 EEBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H](C)CN1C ZINC000408069981 274331170 /nfs/dbraw/zinc/33/11/70/274331170.db2.gz HAQIRZVSRLJCMP-VXGBXAGGSA-N 0 1 328.372 2.308 20 5 EEBDMN O=C(N1CCCC1)N1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000285634457 274765579 /nfs/dbraw/zinc/76/55/79/274765579.db2.gz XKFDJDWSWHYQAM-CYBMUJFWSA-N 0 1 338.433 2.426 20 5 EEBDMN CCc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188736620 281395433 /nfs/dbraw/zinc/39/54/33/281395433.db2.gz WAEFGWPEUDAUCI-CYBMUJFWSA-N 0 1 349.431 2.074 20 5 EEBDMN CC1CCN(CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294432994 293452380 /nfs/dbraw/zinc/45/23/80/293452380.db2.gz KHPDXSQLZKRTJK-UHFFFAOYSA-N 0 1 347.415 2.406 20 5 EEBDMN CC[C@H](C)N1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000296792693 294068719 /nfs/dbraw/zinc/06/87/19/294068719.db2.gz DMIACQXWMVUPMX-JTQLQIEISA-N 0 1 349.416 2.156 20 5 EEBDMN CCOCCN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296985278 294120984 /nfs/dbraw/zinc/12/09/84/294120984.db2.gz DZWAXBRBLOQQFQ-UHFFFAOYSA-N 0 1 330.388 2.302 20 5 EEBDMN CN(CC1(O)CCCC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000297227661 294185777 /nfs/dbraw/zinc/18/57/77/294185777.db2.gz TWFIVMOBOPGORI-UHFFFAOYSA-N 0 1 344.371 2.362 20 5 EEBDMN Cc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])ncn4C)no3)[nH]n2)o1 ZINC000350910866 312351746 /nfs/dbraw/zinc/35/17/46/312351746.db2.gz QMDWUVITXNMKPY-UHFFFAOYSA-N 0 1 341.287 2.337 20 5 EEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000421780852 314163107 /nfs/dbraw/zinc/16/31/07/314163107.db2.gz WDSFXVYHWQDKMN-HNNXBMFYSA-N 0 1 347.415 2.006 20 5 EEBDMN COCCCN(CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441903 314394616 /nfs/dbraw/zinc/39/46/16/314394616.db2.gz IVPIEOCKMQKGJI-UHFFFAOYSA-N 0 1 347.209 2.188 20 5 EEBDMN C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CC(C)C1 ZINC000572422058 319844431 /nfs/dbraw/zinc/84/44/31/319844431.db2.gz RFLQSKJEVKHJJU-CQSZACIVSA-N 0 1 347.415 2.305 20 5 EEBDMN COc1ccc(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1[N+](=O)[O-] ZINC000574050844 319991365 /nfs/dbraw/zinc/99/13/65/319991365.db2.gz MLHVHAHIHMGRCD-INIZCTEOSA-N 0 1 347.415 2.340 20 5 EEBDMN COC(=O)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000358397223 465099382 /nfs/dbraw/zinc/09/93/82/465099382.db2.gz WNXOTLHRVKASLH-LBPRGKRZSA-N 0 1 336.325 2.006 20 5 EEBDMN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000347592466 465111317 /nfs/dbraw/zinc/11/13/17/465111317.db2.gz NNBZOYJSYDSHHO-GJZGRUSLSA-N 0 1 343.431 2.423 20 5 EEBDMN COc1cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404095 465349791 /nfs/dbraw/zinc/34/97/91/465349791.db2.gz LUVBFSISAUERAH-MRXNPFEDSA-N 0 1 349.431 2.148 20 5 EEBDMN CCOC(=O)C(CC)(CC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000347981504 465350645 /nfs/dbraw/zinc/35/06/45/465350645.db2.gz JVBJKGLXNWLMQR-UHFFFAOYSA-N 0 1 348.359 2.323 20 5 EEBDMN CN1CCN(C)[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000590580089 468277039 /nfs/dbraw/zinc/27/70/39/468277039.db2.gz ZMLDFLMONVHZEA-NSHDSACASA-N 0 1 332.326 2.271 20 5 EEBDMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000005033037 462644201 /nfs/dbraw/zinc/64/42/01/462644201.db2.gz URCLCEZHBLLIDA-QWHCGFSZSA-N 0 1 341.367 2.081 20 5 EEBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000153686053 462679038 /nfs/dbraw/zinc/67/90/38/462679038.db2.gz LUFRRACMFUMSSS-DYVFJYSZSA-N 0 1 333.388 2.343 20 5 EEBDMN Cc1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000075772370 462758288 /nfs/dbraw/zinc/75/82/88/462758288.db2.gz BIJVFZDQCVTJJI-UHFFFAOYSA-N 0 1 342.399 2.425 20 5 EEBDMN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000119208362 462880952 /nfs/dbraw/zinc/88/09/52/462880952.db2.gz OMXYWQHZIXBHKM-JTQLQIEISA-N 0 1 349.778 2.370 20 5 EEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000156602716 463046795 /nfs/dbraw/zinc/04/67/95/463046795.db2.gz VQTNCUZEXAZTOF-YGRLFVJLSA-N 0 1 330.344 2.112 20 5 EEBDMN CCOCCCNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000051738476 463047464 /nfs/dbraw/zinc/04/74/64/463047464.db2.gz OZSGAGKRYLBMBU-UHFFFAOYSA-N 0 1 349.431 2.350 20 5 EEBDMN C[C@@H](N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000093882661 463051192 /nfs/dbraw/zinc/05/11/92/463051192.db2.gz XSTQYONGQRDGBW-SNVBAGLBSA-N 0 1 333.310 2.369 20 5 EEBDMN O=C1CCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2N1 ZINC000157910745 463184676 /nfs/dbraw/zinc/18/46/76/463184676.db2.gz ZBXKBEZZQIPCEW-UHFFFAOYSA-N 0 1 347.352 2.280 20 5 EEBDMN CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000080747822 463352121 /nfs/dbraw/zinc/35/21/21/463352121.db2.gz NSNLZQHWNKYNFL-WDEREUQCSA-N 0 1 335.360 2.382 20 5 EEBDMN Cc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000032296842 463369979 /nfs/dbraw/zinc/36/99/79/463369979.db2.gz UDHTWYZDHLXWCV-ZIAGYGMSSA-N 0 1 335.404 2.132 20 5 EEBDMN CC(C)C[C@H](CCO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124209307 463399363 /nfs/dbraw/zinc/39/93/63/463399363.db2.gz PLUQWPSDUWMSAR-NSHDSACASA-N 0 1 348.396 2.057 20 5 EEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCO)C1CCCCC1 ZINC000071080516 463407152 /nfs/dbraw/zinc/40/71/52/463407152.db2.gz MIOLKEFKEVCMOR-UHFFFAOYSA-N 0 1 335.404 2.469 20 5 EEBDMN Cc1c(Br)c(NCCCc2nc[nH]n2)ncc1[N+](=O)[O-] ZINC000165774096 463646929 /nfs/dbraw/zinc/64/69/29/463646929.db2.gz YWDJOWNRCICXTG-UHFFFAOYSA-N 0 1 341.169 2.224 20 5 EEBDMN NC(=O)c1ccc(CN2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000170688795 463695618 /nfs/dbraw/zinc/69/56/18/463695618.db2.gz QXBGBWZDJAPWEN-INIZCTEOSA-N 0 1 340.383 2.380 20 5 EEBDMN CSc1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194210314 463815156 /nfs/dbraw/zinc/81/51/56/463815156.db2.gz XVLINRYJIUTDKT-UHFFFAOYSA-N 0 1 335.429 2.485 20 5 EEBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCCN(c3nccs3)CC2)c1 ZINC000269684633 464057316 /nfs/dbraw/zinc/05/73/16/464057316.db2.gz ZHLGXTGWGMWICB-OAHLLOKOSA-N 0 1 348.428 2.297 20 5 EEBDMN CC[N@@H+](CC(=O)[O-])C1CC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000263558718 464128774 /nfs/dbraw/zinc/12/87/74/464128774.db2.gz PWPWJQWKYMSEAG-UHFFFAOYSA-N 0 1 344.371 2.492 20 5 EEBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)c1[N+](=O)[O-] ZINC000263704875 464159384 /nfs/dbraw/zinc/15/93/84/464159384.db2.gz PHZYUBSTTQFWMD-ZDUSSCGKSA-N 0 1 330.344 2.012 20 5 EEBDMN CC(C)C[C@](C)(C[NH3+])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236721479 464220480 /nfs/dbraw/zinc/22/04/80/464220480.db2.gz NHUMQNLVYOGPSK-CYBMUJFWSA-N 0 1 349.840 2.290 20 5 EEBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nncn3c2)c1C ZINC000180113904 464245637 /nfs/dbraw/zinc/24/56/37/464245637.db2.gz RPAPSZFUBDVZJQ-UHFFFAOYSA-N 0 1 347.356 2.055 20 5 EEBDMN CCc1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000174026358 464352184 /nfs/dbraw/zinc/35/21/84/464352184.db2.gz NGTDVVNKHFSYGL-MRXNPFEDSA-N 0 1 349.431 2.244 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H]2CCC[C@H]21 ZINC000265101159 464509325 /nfs/dbraw/zinc/50/93/25/464509325.db2.gz DXQRCGNTDFBZAD-HZPDHXFCSA-N 0 1 333.388 2.485 20 5 EEBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000281756328 464574560 /nfs/dbraw/zinc/57/45/60/464574560.db2.gz YUZYFTRBMXPBAB-ZDUSSCGKSA-N 0 1 335.404 2.271 20 5 EEBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CSC)C2)c1[N+](=O)[O-] ZINC000294719608 464585239 /nfs/dbraw/zinc/58/52/39/464585239.db2.gz SJEQQQSOKYGRPQ-JTQLQIEISA-N 0 1 326.422 2.486 20 5 EEBDMN CCCN(CCCN(C)C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190397408 464635932 /nfs/dbraw/zinc/63/59/32/464635932.db2.gz QQFRYKAFPGKXHX-UHFFFAOYSA-N 0 1 343.449 2.166 20 5 EEBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285757361 464684762 /nfs/dbraw/zinc/68/47/62/464684762.db2.gz ZDXOWPGTLSGXPA-ZIAGYGMSSA-N 0 1 348.321 2.408 20 5 EEBDMN CCOCCCNC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282383860 464797519 /nfs/dbraw/zinc/79/75/19/464797519.db2.gz GCVJTLUKLZWIPV-CQSZACIVSA-N 0 1 337.420 2.000 20 5 EEBDMN C[C@H](O)CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000276258339 464867229 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EEBDMN COc1ccc(C[C@H](C)N2CCC(F)(F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170329346 809894259 /nfs/dbraw/zinc/89/42/59/809894259.db2.gz OYIKHCLHTPUEEA-WCQYABFASA-N 0 1 344.358 2.484 20 5 EEBDMN O=C(CC1CC(F)(F)C1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001130434716 811659879 /nfs/dbraw/zinc/65/98/79/811659879.db2.gz NUMMQAZCUJYIRV-UHFFFAOYSA-N 0 1 333.360 2.298 20 5 EEBDMN Nc1ccc(-c2noc(Cc3[nH]nc4c3CCCC4)n2)cc1[N+](=O)[O-] ZINC000809236085 813022891 /nfs/dbraw/zinc/02/28/91/813022891.db2.gz XTUNTHBFFMDFMH-UHFFFAOYSA-N 0 1 340.343 2.420 20 5 EEBDMN C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C(=O)[O-] ZINC001589355805 954141010 /nfs/dbraw/zinc/14/10/10/954141010.db2.gz XKEZSYCXWJWCSN-QMTHXVAHSA-N 0 1 336.344 2.004 20 5 EEBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000056810067 214390127 /nfs/dbraw/zinc/39/01/27/214390127.db2.gz DCIKIRUMUKHRTE-UHFFFAOYSA-N 0 1 328.263 2.166 20 5 EEBDMN COc1ccc(OC)c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000427926532 241496790 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20 5 EEBDMN CCC(=O)c1ccc(NC[C@H](C)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000359470400 153385834 /nfs/dbraw/zinc/38/58/34/153385834.db2.gz DTEUJLOVPYBUIA-ZDUSSCGKSA-N 0 1 334.420 2.235 20 5 EEBDMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000193979026 160189789 /nfs/dbraw/zinc/18/97/89/160189789.db2.gz YQHZMBHYJXMZPR-UHFFFAOYSA-N 0 1 346.412 2.446 20 5 EEBDMN CCC[C@@]1(CO)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344132125 161200835 /nfs/dbraw/zinc/20/08/35/161200835.db2.gz OVZALBRDIKRSSA-SJLPKXTDSA-N 0 1 347.415 2.185 20 5 EEBDMN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccco1 ZINC000346323502 161363044 /nfs/dbraw/zinc/36/30/44/161363044.db2.gz LBAYCYBDHSKGKQ-CYBMUJFWSA-N 0 1 334.376 2.339 20 5 EEBDMN Cc1[nH]nc(C(=O)N(C)Cc2nc(-c3cccs3)no2)c1[N+](=O)[O-] ZINC000359085400 164054614 /nfs/dbraw/zinc/05/46/14/164054614.db2.gz IQYPMOMJGWOVFY-UHFFFAOYSA-N 0 1 348.344 2.010 20 5 EEBDMN O=C1[C@H]([N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374412642 167038066 /nfs/dbraw/zinc/03/80/66/167038066.db2.gz VFHUZHVSAMDVQM-CKEIUWERSA-N 0 1 345.399 2.059 20 5 EEBDMN CCCc1n[nH]c(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000123853177 222342138 /nfs/dbraw/zinc/34/21/38/222342138.db2.gz OIAQKQVTFHVVAY-YPMHNXCESA-N 0 1 346.391 2.190 20 5 EEBDMN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272659146 269004720 /nfs/dbraw/zinc/00/47/20/269004720.db2.gz HBCLKXWPRVRBRJ-KFWWJZLASA-N 0 1 332.356 2.378 20 5 EEBDMN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272679254 269007704 /nfs/dbraw/zinc/00/77/04/269007704.db2.gz MZYLJRLTNKPXAW-FFYNENJZSA-N 0 1 340.401 2.110 20 5 EEBDMN C[C@@H](O)CN1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000277764694 269180774 /nfs/dbraw/zinc/18/07/74/269180774.db2.gz KMONLRGLQAMXSI-CHWSQXEVSA-N 0 1 330.388 2.034 20 5 EEBDMN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cn1 ZINC000280309577 269349636 /nfs/dbraw/zinc/34/96/36/269349636.db2.gz GHKPRCPLSSVUCR-SECBINFHSA-N 0 1 340.181 2.300 20 5 EEBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N(C)C)n1 ZINC000280927879 269398569 /nfs/dbraw/zinc/39/85/69/269398569.db2.gz GVSDUDVNFLMEJP-LBPRGKRZSA-N 0 1 334.332 2.084 20 5 EEBDMN Cc1noc([C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000269663627 274116789 /nfs/dbraw/zinc/11/67/89/274116789.db2.gz RJWDPTJZQCDEEA-HIFRSBDPSA-N 0 1 332.360 2.199 20 5 EEBDMN COc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000288540060 275068340 /nfs/dbraw/zinc/06/83/40/275068340.db2.gz KURSSSPCADETKR-SUMWQHHRSA-N 0 1 330.340 2.188 20 5 EEBDMN C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289684177 275138994 /nfs/dbraw/zinc/13/89/94/275138994.db2.gz GNAXONNQKVBCMJ-VXGBXAGGSA-N 0 1 330.331 2.312 20 5 EEBDMN CC(C)c1[nH]nc(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000290535161 275216268 /nfs/dbraw/zinc/21/62/68/275216268.db2.gz IBXIDMLUBCIEDV-QMTHXVAHSA-N 0 1 336.392 2.471 20 5 EEBDMN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C2(CCCCC2)C1 ZINC000188124844 277096791 /nfs/dbraw/zinc/09/67/91/277096791.db2.gz KQTLTKLXNZLFJL-UHFFFAOYSA-N 0 1 332.404 2.268 20 5 EEBDMN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C2(CCCCC2)C1 ZINC000176994016 277099234 /nfs/dbraw/zinc/09/92/34/277099234.db2.gz WMDJQUDUDBVXBN-UHFFFAOYSA-N 0 1 332.404 2.268 20 5 EEBDMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC3 ZINC000368019308 281031951 /nfs/dbraw/zinc/03/19/51/281031951.db2.gz MFGYCCNXHJFAKA-JTQLQIEISA-N 0 1 339.355 2.395 20 5 EEBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000297315403 294209488 /nfs/dbraw/zinc/20/94/88/294209488.db2.gz VTRIDUQEJPDUIT-GFCCVEGCSA-N 0 1 332.360 2.247 20 5 EEBDMN CC[C@H](C)N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000297392437 294231566 /nfs/dbraw/zinc/23/15/66/294231566.db2.gz RBSOFEOOFPCALT-AWEZNQCLSA-N 0 1 334.420 2.263 20 5 EEBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCc2cn[nH]c21 ZINC000297646480 294304747 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EEBDMN CN1CCC[C@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000539809098 318063706 /nfs/dbraw/zinc/06/37/06/318063706.db2.gz KCSYHPZNALYKBL-INIZCTEOSA-N 0 1 333.388 2.059 20 5 EEBDMN CN(Cc1cccc(O)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541348388 318097261 /nfs/dbraw/zinc/09/72/61/318097261.db2.gz CUZZSCXORSYOTC-HNNXBMFYSA-N 0 1 332.356 2.172 20 5 EEBDMN CC(=O)Nc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541880236 318115396 /nfs/dbraw/zinc/11/53/96/318115396.db2.gz FHRURBVRNLXXOX-UHFFFAOYSA-N 0 1 329.312 2.189 20 5 EEBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc[nH]n1 ZINC000565665513 319202974 /nfs/dbraw/zinc/20/29/74/319202974.db2.gz RWUITKUEAIOBEC-CYBMUJFWSA-N 0 1 331.376 2.031 20 5 EEBDMN Cc1ccncc1CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572406986 319843641 /nfs/dbraw/zinc/84/36/41/319843641.db2.gz ZBRDUMOCCQOPNW-UHFFFAOYSA-N 0 1 341.415 2.448 20 5 EEBDMN COc1ccc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000576352683 320164645 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EEBDMN C[C@H]1CN(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000063662627 462660959 /nfs/dbraw/zinc/66/09/59/462660959.db2.gz DGJVNPSTBBYJJL-AOEIMKSNSA-N 0 1 347.415 2.224 20 5 EEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCOCC2)CC1 ZINC000075621213 462740432 /nfs/dbraw/zinc/74/04/32/462740432.db2.gz OQZSHGRKECKFLY-CQSZACIVSA-N 0 1 347.415 2.227 20 5 EEBDMN CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000130139238 462742662 /nfs/dbraw/zinc/74/26/62/462742662.db2.gz KIDIQYPERPMKDW-UHFFFAOYSA-N 0 1 344.371 2.077 20 5 EEBDMN CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000130139238 462742667 /nfs/dbraw/zinc/74/26/67/462742667.db2.gz KIDIQYPERPMKDW-UHFFFAOYSA-N 0 1 344.371 2.077 20 5 EEBDMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000057166483 463460520 /nfs/dbraw/zinc/46/05/20/463460520.db2.gz AYVNYMUPJFOZKN-UHFFFAOYSA-N 0 1 340.383 2.384 20 5 EEBDMN O=C(NC1(c2cccc(Br)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000072293378 463502602 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C[C@@H]1OCC[C@@]12CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279837503 464153962 /nfs/dbraw/zinc/15/39/62/464153962.db2.gz RJSOVQRVBYCMBY-JKIFEVAISA-N 0 1 336.388 2.242 20 5 EEBDMN NC(=O)c1ccc(CN2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000284927088 464395934 /nfs/dbraw/zinc/39/59/34/464395934.db2.gz YAZLSTKYOGCKDG-UHFFFAOYSA-N 0 1 333.388 2.086 20 5 EEBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1NCCc2ccccc21 ZINC000237891880 464397635 /nfs/dbraw/zinc/39/76/35/464397635.db2.gz GKFMAKXQZYSFOQ-KRWDZBQOSA-N 0 1 325.368 2.141 20 5 EEBDMN CCCc1[nH]nc(C(=O)N2CCc3ccc(OC)cc3C2)c1[N+](=O)[O-] ZINC000264665117 464415073 /nfs/dbraw/zinc/41/50/73/464415073.db2.gz JRONCPVETVSBFC-UHFFFAOYSA-N 0 1 344.371 2.478 20 5 EEBDMN COc1cc(C)c(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000174811125 464453007 /nfs/dbraw/zinc/45/30/07/464453007.db2.gz LTHIJXLPLXXYRD-UHFFFAOYSA-N 0 1 334.376 2.249 20 5 EEBDMN CC[C@]1(CO)CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000189665286 464537688 /nfs/dbraw/zinc/53/76/88/464537688.db2.gz MWHWCNHGHDSENB-MRXNPFEDSA-N 0 1 332.360 2.382 20 5 EEBDMN C[S@@](=O)C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000183197862 464820822 /nfs/dbraw/zinc/82/08/22/464820822.db2.gz FJHRYDUTBNJCHY-XVTZWQNCSA-N 0 1 348.424 2.338 20 5 EEBDMN CCN1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286174615 464828682 /nfs/dbraw/zinc/82/86/82/464828682.db2.gz ABZCYQFCGGTKQL-CYBMUJFWSA-N 0 1 334.420 2.263 20 5 EEBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183357203 464855729 /nfs/dbraw/zinc/85/57/29/464855729.db2.gz YYZJUNFCTHAHHA-INIZCTEOSA-N 0 1 347.346 2.049 20 5 EEBDMN COC(=O)CCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000282560831 464866101 /nfs/dbraw/zinc/86/61/01/464866101.db2.gz VEEODWQLGWUXDL-UHFFFAOYSA-N 0 1 347.331 2.052 20 5 EEBDMN CN(C)Cc1ccnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000176909850 464882428 /nfs/dbraw/zinc/88/24/28/464882428.db2.gz CTMMXHGEPIOUNY-UHFFFAOYSA-N 0 1 333.323 2.025 20 5 EEBDMN COc1ccccc1O[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000286486816 464935945 /nfs/dbraw/zinc/93/59/45/464935945.db2.gz OSVQWABJMPUVRC-CQSZACIVSA-N 0 1 346.387 2.343 20 5 EEBDMN COc1cc(CN(C)C[C@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000184270830 464959208 /nfs/dbraw/zinc/95/92/08/464959208.db2.gz FBZIDWAIJIUWPO-GFCCVEGCSA-N 0 1 339.367 2.043 20 5 EEBDMN CCOC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000276615383 465002066 /nfs/dbraw/zinc/00/20/66/465002066.db2.gz DOQTWMPOLHODPW-LLVKDONJSA-N 0 1 334.369 2.073 20 5 EEBDMN COC(=O)c1ccc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356341148 465322884 /nfs/dbraw/zinc/32/28/84/465322884.db2.gz NOPHXLJRFMAACL-UHFFFAOYSA-N 0 1 344.323 2.359 20 5 EEBDMN Cc1ccnc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C2CC2)n1 ZINC000356738311 465514167 /nfs/dbraw/zinc/51/41/67/465514167.db2.gz ZULSQIUHKKGLCL-AWEZNQCLSA-N 0 1 328.328 2.280 20 5 EEBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000357016155 465703686 /nfs/dbraw/zinc/70/36/86/465703686.db2.gz ZALQFTNVYUYFSU-UHFFFAOYSA-N 0 1 326.316 2.003 20 5 EEBDMN CC(C)[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000362849918 466071522 /nfs/dbraw/zinc/07/15/22/466071522.db2.gz IQOLFISOXQENFB-INIZCTEOSA-N 0 1 334.420 2.119 20 5 EEBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CC[C@@H](CO)O3)cs2)c1 ZINC000353705174 466083207 /nfs/dbraw/zinc/08/32/07/466083207.db2.gz BNCZQCJJJXBANC-GJZGRUSLSA-N 0 1 349.412 2.348 20 5 EEBDMN COC(=O)C(C)(C)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000338545685 466212474 /nfs/dbraw/zinc/21/24/74/466212474.db2.gz CGEXAMOBPLKAHJ-UHFFFAOYSA-N 0 1 335.404 2.306 20 5 EEBDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332344211 466517193 /nfs/dbraw/zinc/51/71/93/466517193.db2.gz XRPBOIKTPJEOSX-HSMVNMDESA-N 0 1 336.388 2.443 20 5 EEBDMN CC(C)[C@](C)(NCc1ccc(Br)cc1[N+](=O)[O-])C(N)=O ZINC000312808690 466533754 /nfs/dbraw/zinc/53/37/54/466533754.db2.gz RQEPQUZYCOAJES-ZDUSSCGKSA-N 0 1 344.209 2.347 20 5 EEBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000569489872 468499653 /nfs/dbraw/zinc/49/96/53/468499653.db2.gz XDZAZBCPWZNBEH-ZANVPECISA-N 0 1 339.779 2.120 20 5 EEBDMN C[C@@H]1[C@H](CO)CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412088450 467003457 /nfs/dbraw/zinc/00/34/57/467003457.db2.gz PLEMMTLTMHCIFJ-YPMHNXCESA-N 0 1 332.360 2.238 20 5 EEBDMN CC(C)(C)c1nc(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000412423983 467082395 /nfs/dbraw/zinc/08/23/95/467082395.db2.gz UQHNAUXDTWLTAL-QWHCGFSZSA-N 0 1 343.387 2.430 20 5 EEBDMN C[C@@H]1CN(CCCNc2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413037194 467158821 /nfs/dbraw/zinc/15/88/21/467158821.db2.gz FNSUBNILCUXJHV-OKILXGFUSA-N 0 1 344.415 3.054 20 5 EEBDMN Cc1nc([C@@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)CCO2)n[nH]1 ZINC000413178349 467184928 /nfs/dbraw/zinc/18/49/28/467184928.db2.gz MVDSGIYKNCSYDA-AWEZNQCLSA-N 0 1 340.343 2.147 20 5 EEBDMN Cc1cc(OCC(=O)NCCN2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000432326045 467231426 /nfs/dbraw/zinc/23/14/26/467231426.db2.gz NVYBSGLLLBFETK-UHFFFAOYSA-N 0 1 333.388 2.050 20 5 EEBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC(C)(C)CN1CCCC1 ZINC000452078988 467315113 /nfs/dbraw/zinc/31/51/13/467315113.db2.gz FMUDITDDYGWYQC-UHFFFAOYSA-N 0 1 341.433 2.056 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C[C@@H]1CCOC1)C1CC1 ZINC000434570813 467409842 /nfs/dbraw/zinc/40/98/42/467409842.db2.gz ANFVMUATHOASPL-ZDUSSCGKSA-N 0 1 333.388 2.343 20 5 EEBDMN COc1ccc(NC(=O)[C@H](C)N(C)CCCCCO)c([N+](=O)[O-])c1 ZINC000434682652 467417544 /nfs/dbraw/zinc/41/75/44/467417544.db2.gz XFHDUPUMCBTXQT-LBPRGKRZSA-N 0 1 339.392 2.025 20 5 EEBDMN CN(C)CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435832812 467498415 /nfs/dbraw/zinc/49/84/15/467498415.db2.gz CXRCFGKARJDFNM-UHFFFAOYSA-N 0 1 345.349 2.251 20 5 EEBDMN C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000458328276 467810037 /nfs/dbraw/zinc/81/00/37/467810037.db2.gz WMGIJALCZCZRHJ-UHFFFAOYSA-N 0 1 336.323 2.255 20 5 EEBDMN CC(C)(C)c1nc(CNC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000492981404 467810550 /nfs/dbraw/zinc/81/05/50/467810550.db2.gz GFMNZGOGPCXNFQ-FNORWQNLSA-N 0 1 347.350 2.479 20 5 EEBDMN CC[C@H](O)CN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493336627 467889293 /nfs/dbraw/zinc/88/92/93/467889293.db2.gz NRPCTUKFISNHIC-LBPRGKRZSA-N 0 1 327.812 2.137 20 5 EEBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4OCC[C@@H]4C3)n2)cc1 ZINC000517560778 468089089 /nfs/dbraw/zinc/08/90/89/468089089.db2.gz XVGBPHZGKGFAFF-OCCSQVGLSA-N 0 1 330.344 2.256 20 5 EEBDMN C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000496361234 468192721 /nfs/dbraw/zinc/19/27/21/468192721.db2.gz MQGYLBGZKGUSAI-SECBINFHSA-N 0 1 340.332 2.257 20 5 EEBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(F)c1F ZINC000534304724 468247884 /nfs/dbraw/zinc/24/78/84/468247884.db2.gz ROAMYBBDKPLGBA-MRVPVSSYSA-N 0 1 343.311 2.308 20 5 EEBDMN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](OC)C(C)C ZINC000592353935 468681201 /nfs/dbraw/zinc/68/12/01/468681201.db2.gz UCLWGZLATIOCIK-CYBMUJFWSA-N 0 1 331.394 2.049 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)CCS(C)(=O)=O ZINC000595022784 468744784 /nfs/dbraw/zinc/74/47/84/468744784.db2.gz VYKCMBAUHUHTPE-GHMZBOCLSA-N 0 1 330.406 2.077 20 5 EEBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1CN(C)C ZINC000595345979 468819860 /nfs/dbraw/zinc/81/98/60/468819860.db2.gz RPUFZZWHYLZJGS-ZDUSSCGKSA-N 0 1 341.433 2.008 20 5 EEBDMN COc1ccc(OCC[N@H+]2CCCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000593291034 468929934 /nfs/dbraw/zinc/92/99/34/468929934.db2.gz VGFWXNPERCQSOR-LBPRGKRZSA-N 0 1 338.360 2.311 20 5 EEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1[C@H](C)CO ZINC000595674537 468949307 /nfs/dbraw/zinc/94/93/07/468949307.db2.gz LDYOUVAVFIVRNL-CZUORRHYSA-N 0 1 335.404 2.325 20 5 EEBDMN C[C@H](O)[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000562531769 468981009 /nfs/dbraw/zinc/98/10/09/468981009.db2.gz XNFBAYMHYIMPQT-AAEUAGOBSA-N 0 1 344.371 2.218 20 5 EEBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000593505086 469008157 /nfs/dbraw/zinc/00/81/57/469008157.db2.gz TXWBEJGJAOQIRA-INIZCTEOSA-N 0 1 343.431 2.483 20 5 EEBDMN Cc1cccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])n3C)C2)c1 ZINC000601851569 469057503 /nfs/dbraw/zinc/05/75/03/469057503.db2.gz UFWIMNHXTYBCEB-HNNXBMFYSA-N 0 1 342.399 2.246 20 5 EEBDMN CC(C)C[N@@H+](C)CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000593697678 469099614 /nfs/dbraw/zinc/09/96/14/469099614.db2.gz VMRWJSLHDZJWGF-UHFFFAOYSA-N 0 1 337.376 2.001 20 5 EEBDMN CN1CCCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599137791 469132680 /nfs/dbraw/zinc/13/26/80/469132680.db2.gz DCOCUJKFDCJWOY-GFCCVEGCSA-N 0 1 341.433 2.142 20 5 EEBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3[nH]nc4ccccc43)CC2)cn1 ZINC000611254482 469210236 /nfs/dbraw/zinc/21/02/36/469210236.db2.gz KACWXCGDUHNNMR-UHFFFAOYSA-N 0 1 338.371 2.188 20 5 EEBDMN COCC(=O)NC1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000611261332 469212695 /nfs/dbraw/zinc/21/26/95/469212695.db2.gz WBFYLLWEHBDVQE-UHFFFAOYSA-N 0 1 349.431 2.445 20 5 EEBDMN CC(C)(CO)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000616058720 469359571 /nfs/dbraw/zinc/35/95/71/469359571.db2.gz HXNNVBJIRLXNSF-UHFFFAOYSA-N 0 1 330.388 2.036 20 5 EEBDMN CN(C(=O)CN[C@@](C)(CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000609483902 469930781 /nfs/dbraw/zinc/93/07/81/469930781.db2.gz POFYQOKTUPOLRZ-SFHVURJKSA-N 0 1 343.383 2.055 20 5 EEBDMN CC(C)(CO)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000609839709 469965114 /nfs/dbraw/zinc/96/51/14/469965114.db2.gz BWYHAHLHSDIBTA-UHFFFAOYSA-N 0 1 330.388 2.036 20 5 EEBDMN COC[C@@]1(C)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451203263 536824447 /nfs/dbraw/zinc/82/44/47/536824447.db2.gz PCSYHSXSDXGRAA-RDJZCZTQSA-N 0 1 333.388 2.059 20 5 EEBDMN CC[C@@H]1CCCN1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000727823766 576451656 /nfs/dbraw/zinc/45/16/56/576451656.db2.gz KIYFERMXSKFWCU-CXAGYDPISA-N 0 1 346.387 2.194 20 5 EEBDMN COC(=O)C[C@@H]1CCCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000771866123 577235019 /nfs/dbraw/zinc/23/50/19/577235019.db2.gz CTABXSHNNVJMAM-INIZCTEOSA-N 0 1 344.371 2.443 20 5 EEBDMN C[C@H]1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000766372573 577518031 /nfs/dbraw/zinc/51/80/31/577518031.db2.gz CVYGCPOMWDQZCH-QWHCGFSZSA-N 0 1 346.387 2.299 20 5 EEBDMN C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000766378518 577518205 /nfs/dbraw/zinc/51/82/05/577518205.db2.gz XJKPWFBHYRHNQI-CABCVRRESA-N 0 1 329.404 2.344 20 5 EEBDMN CCc1nn(C)c(NCc2n[nH]c(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000769864909 577586060 /nfs/dbraw/zinc/58/60/60/577586060.db2.gz YRRKNSYCYMJDLX-UHFFFAOYSA-N 0 1 327.348 2.288 20 5 EEBDMN CCc1nn(C)c(NCc2nc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000769864909 577586061 /nfs/dbraw/zinc/58/60/61/577586061.db2.gz YRRKNSYCYMJDLX-UHFFFAOYSA-N 0 1 327.348 2.288 20 5 EEBDMN Cn1ccnc1[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755793359 577831615 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2.451 20 5 EEBDMN O=[N+]([O-])c1cc(Cl)cnc1Oc1ccc(F)nc1-c1nn[nH]n1 ZINC001593471118 1349806063 /nfs/dbraw/zinc/80/60/63/1349806063.db2.gz JHHUCVWKXGZWNL-UHFFFAOYSA-N 0 1 337.658 2.150 20 5 EEBDMN O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCc1ccc2c[nH+]cn2c1 ZINC001593489091 1349816777 /nfs/dbraw/zinc/81/67/77/1349816777.db2.gz VLFQARKVTKYGLA-UHFFFAOYSA-N 0 1 342.344 2.096 20 5 EEBDMN c1nc(-c2nn[nH]n2)nn1Cc1nc2ccccc2c2ccccc12 ZINC001593580320 1349862377 /nfs/dbraw/zinc/86/23/77/1349862377.db2.gz TXOIIQZKYHIJML-UHFFFAOYSA-N 0 1 328.339 2.208 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001600304975 1350015789 /nfs/dbraw/zinc/01/57/89/1350015789.db2.gz AHPDKKRWGWJCOL-DETPVDSQSA-N 0 1 347.371 2.027 20 5 EEBDMN O=C([O-])c1ccnc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC001602483869 1350529764 /nfs/dbraw/zinc/52/97/64/1350529764.db2.gz TXKHGDFFBXMEIP-GFCCVEGCSA-N 0 1 334.376 2.222 20 5 EEBDMN C[C@@H](c1cccc(Cl)c1F)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001603734948 1350754849 /nfs/dbraw/zinc/75/48/49/1350754849.db2.gz LEWPGSFDFBPYEA-LURJTMIESA-N 0 1 337.702 2.373 20 5 EEBDMN C[C@@H]1CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCC1(F)F ZINC001603938907 1350808073 /nfs/dbraw/zinc/80/80/73/1350808073.db2.gz YQNLJBIHYWGLTL-SECBINFHSA-N 0 1 338.318 2.252 20 5 EEBDMN CC1(NC(=O)Cc2cnc[nH]2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110610306 1369202807 /nfs/dbraw/zinc/20/28/07/1369202807.db2.gz YAUKPFLYNKOHMQ-UHFFFAOYSA-N 0 1 343.387 2.036 20 5 EEBDMN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237933588 774429678 /nfs/dbraw/zinc/42/96/78/774429678.db2.gz XNFYYCKAJXPGEE-GXSJLCMTSA-N 0 1 347.824 2.044 20 5 EEBDMN CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000067118787 780749725 /nfs/dbraw/zinc/74/97/25/780749725.db2.gz DYTFEAZPMPAENL-SNVBAGLBSA-N 0 1 349.840 2.257 20 5 EEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000822287410 787113151 /nfs/dbraw/zinc/11/31/51/787113151.db2.gz NLROMEHKFLAYGB-CYBMUJFWSA-N 0 1 349.431 2.129 20 5 EEBDMN O=C([O-])Cc1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000844207916 788926345 /nfs/dbraw/zinc/92/63/45/788926345.db2.gz OIYANJHPMAFAEI-LBPRGKRZSA-N 0 1 330.344 2.329 20 5 EEBDMN CC(F)(F)C(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001002229853 797752068 /nfs/dbraw/zinc/75/20/68/797752068.db2.gz IWLDDMKCLBMDJB-UHFFFAOYSA-N 0 1 327.331 2.331 20 5 EEBDMN Cc1cc(C(=O)NC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC001002410297 798028366 /nfs/dbraw/zinc/02/83/66/798028366.db2.gz HNLRDTMAUYQBHE-UHFFFAOYSA-N 0 1 343.387 2.021 20 5 EEBDMN CCOC[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2cn(CC)nc21 ZINC001169022988 803589359 /nfs/dbraw/zinc/58/93/59/803589359.db2.gz NYXIPSJYDHZOPG-BPUTZDHNSA-N 0 1 336.436 2.284 20 5 EEBDMN CCOC(=O)C1(Nc2cc(F)cc(F)c2[N+](=O)[O-])CCN(C)CC1 ZINC001169490803 803814723 /nfs/dbraw/zinc/81/47/23/803814723.db2.gz CYDXTIXWPSMKOQ-UHFFFAOYSA-N 0 1 343.330 2.312 20 5 EEBDMN CC(C)CN1CCO[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804329944 803857650 /nfs/dbraw/zinc/85/76/50/803857650.db2.gz FMTMHYHDCXEKJS-GFCCVEGCSA-N 0 1 338.364 2.272 20 5 EEBDMN COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC001594055847 958033492 /nfs/dbraw/zinc/03/34/92/958033492.db2.gz CBUZYYGWYZXCEX-ONGXEEELSA-N 0 1 326.324 2.285 20 5 EEBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000874043856 969363905 /nfs/dbraw/zinc/36/39/05/969363905.db2.gz ZOEIQIZJORNYCK-CQSZACIVSA-N 0 1 328.752 2.171 20 5 EEBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901541434 980369935 /nfs/dbraw/zinc/36/99/35/980369935.db2.gz HMRIPBJTNRLQHB-ZDUSSCGKSA-N 0 1 348.277 2.289 20 5 EEBDMN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596457254 984167600 /nfs/dbraw/zinc/16/76/00/984167600.db2.gz UOKYEHKQXJSWCX-CQSZACIVSA-N 0 1 349.387 2.174 20 5 EEBDMN O=C(CC[C@@H]1CCCO1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201725 219268894 /nfs/dbraw/zinc/26/88/94/219268894.db2.gz VNQANLTWINNUPT-LBPRGKRZSA-N 0 1 331.332 2.278 20 5 EEBDMN Cc1c([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000183328567 235010617 /nfs/dbraw/zinc/01/06/17/235010617.db2.gz RFAYONWVPHAZIQ-GHMZBOCLSA-N 0 1 331.376 2.315 20 5 EEBDMN CO[C@]1(C)C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000073274803 216372443 /nfs/dbraw/zinc/37/24/43/216372443.db2.gz JRUCZSJZSUNGBH-BLLLJJGKSA-N 0 1 332.360 2.405 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CN1CCCCC1 ZINC000193095505 240016748 /nfs/dbraw/zinc/01/67/48/240016748.db2.gz XXLWFPQNWTVGHD-ZDUSSCGKSA-N 0 1 341.433 2.056 20 5 EEBDMN O=C1OCCN1C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000495964675 247243456 /nfs/dbraw/zinc/24/34/56/247243456.db2.gz YQDHWYZKIIAEOG-KQIUPUNMSA-N 0 1 331.372 2.382 20 5 EEBDMN O=C(NCC(F)F)[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449605297 295630697 /nfs/dbraw/zinc/63/06/97/295630697.db2.gz VXYLKHIIQGLZOZ-ZDUSSCGKSA-N 0 1 343.330 2.036 20 5 EEBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000364388765 285102103 /nfs/dbraw/zinc/10/21/03/285102103.db2.gz SYGLQFHXCOLZBB-WBVHZDCISA-N 0 1 342.399 2.178 20 5 EEBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC[C@H]1CCC[NH2+]1 ZINC000420438825 285155144 /nfs/dbraw/zinc/15/51/44/285155144.db2.gz FRBINGOESLPFTA-SNVBAGLBSA-N 0 1 347.824 2.059 20 5 EEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000270984423 256195340 /nfs/dbraw/zinc/19/53/40/256195340.db2.gz VZZCGYLQAJYKEW-BXUZGUMPSA-N 0 1 342.355 2.445 20 5 EEBDMN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272855231 256244159 /nfs/dbraw/zinc/24/41/59/256244159.db2.gz HTYWUMXUEHGYLX-LLVKDONJSA-N 0 1 339.417 2.061 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000263028788 152360492 /nfs/dbraw/zinc/36/04/92/152360492.db2.gz BAITTZODEKFKGK-NSHDSACASA-N 0 1 335.360 2.169 20 5 EEBDMN CN(CC[C@@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000342577173 161075421 /nfs/dbraw/zinc/07/54/21/161075421.db2.gz BAPUVAYHVKACET-JKSUJKDBSA-N 0 1 333.388 2.201 20 5 EEBDMN CCN1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000344450129 161228760 /nfs/dbraw/zinc/22/87/60/161228760.db2.gz LNXCRNFXZDEALG-OKILXGFUSA-N 0 1 335.404 2.223 20 5 EEBDMN CCOc1cccc(N2CCN(CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275435353 269115042 /nfs/dbraw/zinc/11/50/42/269115042.db2.gz FIERSVQYSWIGJI-ZDUSSCGKSA-N 0 1 337.420 2.275 20 5 EEBDMN CCCc1n[nH]c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277624886 269164054 /nfs/dbraw/zinc/16/40/54/269164054.db2.gz WOHLGWCYWFNKHG-LBPRGKRZSA-N 0 1 335.408 2.017 20 5 EEBDMN Cc1cc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000278652124 269239416 /nfs/dbraw/zinc/23/94/16/269239416.db2.gz SRJVKQKKTFDZTQ-CQSZACIVSA-N 0 1 335.404 2.134 20 5 EEBDMN O=C(NC1(c2nnc[nH]2)CCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000280805597 269392291 /nfs/dbraw/zinc/39/22/91/269392291.db2.gz MMWOLHFDCOCADR-UHFFFAOYSA-N 0 1 337.286 2.000 20 5 EEBDMN CCS(=O)(=O)C[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192993125 276389468 /nfs/dbraw/zinc/38/94/68/276389468.db2.gz REGLBFJJAIAQIA-NHYWBVRUSA-N 0 1 326.418 2.385 20 5 EEBDMN CNC(=O)NC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413565675 312890536 /nfs/dbraw/zinc/89/05/36/312890536.db2.gz HMSRXKPLUPIJIW-UHFFFAOYSA-N 0 1 343.387 2.349 20 5 EEBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CCO)CC1 ZINC000421008001 314022172 /nfs/dbraw/zinc/02/21/72/314022172.db2.gz CWLDZFIWVLDIDT-UONOGXRCSA-N 0 1 335.404 2.406 20 5 EEBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000514349912 316395111 /nfs/dbraw/zinc/39/51/11/316395111.db2.gz MXSRMZRVXDVHTH-CQSZACIVSA-N 0 1 332.360 2.093 20 5 EEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565362910 319176205 /nfs/dbraw/zinc/17/62/05/319176205.db2.gz UGIZPHCCOUDVSG-NWDGAFQWSA-N 0 1 335.360 2.109 20 5 EEBDMN CCOc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565962379 319231279 /nfs/dbraw/zinc/23/12/79/319231279.db2.gz PSUGAGCHBWFKOL-OCCSQVGLSA-N 0 1 338.360 2.058 20 5 EEBDMN O=C([O-])Cc1ccc(NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000576707730 320197064 /nfs/dbraw/zinc/19/70/64/320197064.db2.gz ZWCVVNXYGKDTSA-UHFFFAOYSA-N 0 1 344.371 2.409 20 5 EEBDMN C[C@@H](O)CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000188726585 464353594 /nfs/dbraw/zinc/35/35/94/464353594.db2.gz JLUWOOHTIINBSB-CQSZACIVSA-N 0 1 345.399 2.353 20 5 EEBDMN O=C([O-])CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336877216 465070213 /nfs/dbraw/zinc/07/02/13/465070213.db2.gz OIVPYRWKZVBHBI-GFCCVEGCSA-N 0 1 335.360 2.253 20 5 EEBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000336877216 465070216 /nfs/dbraw/zinc/07/02/16/465070216.db2.gz OIVPYRWKZVBHBI-GFCCVEGCSA-N 0 1 335.360 2.253 20 5 EEBDMN CCn1cc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 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EEBDMN C[C@H]1CCCC[N@H+]1CCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609165866 1351872664 /nfs/dbraw/zinc/87/26/64/1351872664.db2.gz ZEPXOWLCUOIDDS-LBPRGKRZSA-N 0 1 345.407 2.451 20 5 EEBDMN C[C@H]1CCCC[N@@H+]1CCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609165866 1351872666 /nfs/dbraw/zinc/87/26/66/1351872666.db2.gz ZEPXOWLCUOIDDS-LBPRGKRZSA-N 0 1 345.407 2.451 20 5 EEBDMN C[C@H]1CCCC[N@H+]1CCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609165866 1351872668 /nfs/dbraw/zinc/87/26/68/1351872668.db2.gz ZEPXOWLCUOIDDS-LBPRGKRZSA-N 0 1 345.407 2.451 20 5 EEBDMN CN(Cc1n[nH]c(=O)o1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001327571398 1334317036 /nfs/dbraw/zinc/31/70/36/1334317036.db2.gz AUXUCHBQKDNQIP-UHFFFAOYSA-N 0 1 343.137 2.078 20 5 EEBDMN COc1cccc([C@H]2CNCCN2C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC001330930353 1334929099 /nfs/dbraw/zinc/92/90/99/1334929099.db2.gz GYVMRXULVPTXFF-CYBMUJFWSA-N 0 1 347.396 2.452 20 5 EEBDMN CN1CCN(c2ccc(CCNc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC001338315635 1336839139 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IKQHZUINYDTJAM-MRXNPFEDSA-N 0 1 343.383 2.098 20 5 EEBDMN CC1(C)CC(Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083446 1349143527 /nfs/dbraw/zinc/14/35/27/1349143527.db2.gz GTTDPLGAKGTONA-UHFFFAOYSA-N 0 1 345.407 2.496 20 5 EEBDMN CC1(C)CC(Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC001590083446 1349143534 /nfs/dbraw/zinc/14/35/34/1349143534.db2.gz GTTDPLGAKGTONA-UHFFFAOYSA-N 0 1 345.407 2.496 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001600304640 1350015621 /nfs/dbraw/zinc/01/56/21/1350015621.db2.gz CCQPJQGCZQZZHW-YPMHNXCESA-N 0 1 335.360 2.027 20 5 EEBDMN O=C([O-])C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001601954866 1350404935 /nfs/dbraw/zinc/40/49/35/1350404935.db2.gz CBMLUQVHBILFHE-JTQLQIEISA-N 0 1 341.751 2.126 20 5 EEBDMN O=C([O-])C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001601954866 1350404936 /nfs/dbraw/zinc/40/49/36/1350404936.db2.gz CBMLUQVHBILFHE-JTQLQIEISA-N 0 1 341.751 2.126 20 5 EEBDMN O=C([O-])c1cnc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001602529573 1350539469 /nfs/dbraw/zinc/53/94/69/1350539469.db2.gz ANPRPGXAKSFKBX-CYBMUJFWSA-N 0 1 334.376 2.364 20 5 EEBDMN CCCN(CCC[NH+](C)C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604205139 1350892660 /nfs/dbraw/zinc/89/26/60/1350892660.db2.gz XAUYTMGAGYPKNL-UHFFFAOYSA-N 0 1 339.425 2.005 20 5 EEBDMN CCCN(CCC[NH+](C)C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604205139 1350892663 /nfs/dbraw/zinc/89/26/63/1350892663.db2.gz XAUYTMGAGYPKNL-UHFFFAOYSA-N 0 1 339.425 2.005 20 5 EEBDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001604638322 1350975024 /nfs/dbraw/zinc/97/50/24/1350975024.db2.gz XBDWPKSMHBWCOR-NHYWBVRUSA-N 0 1 344.371 2.290 20 5 EEBDMN CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001605324450 1351136843 /nfs/dbraw/zinc/13/68/43/1351136843.db2.gz FOXYHLQVYDXBIA-CQSZACIVSA-N 0 1 335.360 2.496 20 5 EEBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC001606606294 1351331181 /nfs/dbraw/zinc/33/11/81/1351331181.db2.gz WSXNPMOAGZQPJM-WHOFXGATSA-N 0 1 348.355 2.067 20 5 EEBDMN COCC[N@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001606896321 1351371675 /nfs/dbraw/zinc/37/16/75/1351371675.db2.gz UWPXPTSQDDSEJP-LBPRGKRZSA-N 0 1 337.376 2.124 20 5 EEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001607826626 1351566342 /nfs/dbraw/zinc/56/63/42/1351566342.db2.gz UTKHLYLFKSVEKU-AAEUAGOBSA-N 0 1 335.360 2.027 20 5 EEBDMN CN(CCNC(=O)c1[nH]nc2c1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001100400216 1373029512 /nfs/dbraw/zinc/02/95/12/1373029512.db2.gz UKCHRDVJMYLYEU-UHFFFAOYSA-N 0 1 343.387 2.063 20 5 EEBDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC001606147432 1404769181 /nfs/dbraw/zinc/76/91/81/1404769181.db2.gz IZJYBNNFIVRMDZ-MRXNPFEDSA-N 0 1 344.367 2.328 20 5 EEBDMN O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164727356 720351862 /nfs/dbraw/zinc/35/18/62/720351862.db2.gz SXFXWFJVZXKRQL-GJZGRUSLSA-N 0 1 343.362 2.377 20 5 EEBDMN O=[N+]([O-])c1cccc2nc(N3CCN(C[C@H]4CCCO4)CC3)ccc21 ZINC001165037389 721908462 /nfs/dbraw/zinc/90/84/62/721908462.db2.gz GBUPNSKWSYKUEC-CQSZACIVSA-N 0 1 342.399 2.444 20 5 EEBDMN NC(=O)[C@H](N)Cc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211591131 761016327 /nfs/dbraw/zinc/01/63/27/761016327.db2.gz JGSKKQFRNWJIGO-MRXNPFEDSA-N 0 1 332.363 2.398 20 5 EEBDMN CC[C@@](N)(CO)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001170859601 784622832 /nfs/dbraw/zinc/62/28/32/784622832.db2.gz SNTHTJJEOSENAC-INIZCTEOSA-N 0 1 332.360 2.038 20 5 EEBDMN CN(C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000824726185 788289454 /nfs/dbraw/zinc/28/94/54/788289454.db2.gz IKAYBGXYQRZGDW-CABCVRRESA-N 0 1 349.412 2.109 20 5 EEBDMN CC(C)(C)CCN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825384340 788602003 /nfs/dbraw/zinc/60/20/03/788602003.db2.gz KWKZFCZTVKZUEY-INIZCTEOSA-N 0 1 349.431 2.209 20 5 EEBDMN CC(C)(C)CCN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825384341 788602365 /nfs/dbraw/zinc/60/23/65/788602365.db2.gz KWKZFCZTVKZUEY-MRXNPFEDSA-N 0 1 349.431 2.209 20 5 EEBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000844642517 789286658 /nfs/dbraw/zinc/28/66/58/789286658.db2.gz JIMKULUPNMMKCA-BBBLOLIVSA-N 0 1 327.331 2.426 20 5 EEBDMN O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780684994 789390386 /nfs/dbraw/zinc/39/03/86/789390386.db2.gz RSUNOGMSXLDLSR-JHJVBQTASA-N 0 1 340.426 2.410 20 5 EEBDMN Cc1ccc(C(=O)N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169039001 803581927 /nfs/dbraw/zinc/58/19/27/803581927.db2.gz MHLNMLRILFZQGP-WBVHZDCISA-N 0 1 331.416 2.198 20 5 EEBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2Cc3cncn3C[C@H](COCC3CC3)C2)C1 ZINC001169021703 803588424 /nfs/dbraw/zinc/58/84/24/803588424.db2.gz PQOJAFAECSEDHV-ZACQAIPSSA-N 0 1 348.447 2.187 20 5 EEBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCCn3cnc(COCC4CC4)c3C2)C1 ZINC001169024200 803589825 /nfs/dbraw/zinc/58/98/25/803589825.db2.gz QLHHBPKLUALOJL-JKSUJKDBSA-N 0 1 348.447 2.461 20 5 EEBDMN CN(C)c1nc2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000788241453 807445859 /nfs/dbraw/zinc/44/58/59/807445859.db2.gz UEPYYAIOBFQMJY-UHFFFAOYSA-N 0 1 340.343 2.372 20 5 EEBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000788965005 807776247 /nfs/dbraw/zinc/77/62/47/807776247.db2.gz FOMZLRNGLGWMEY-NSHDSACASA-N 0 1 333.344 2.326 20 5 EEBDMN O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2n[nH]cc21 ZINC000789590708 808076948 /nfs/dbraw/zinc/07/69/48/808076948.db2.gz VQJXWFKAWNUOJO-UHFFFAOYSA-N 0 1 348.300 2.167 20 5 EEBDMN Cc1n[nH]c(C(=O)NCC2(Nc3ncc([N+](=O)[O-])cc3C)CC2)c1C ZINC001110091038 808747627 /nfs/dbraw/zinc/74/76/27/808747627.db2.gz SAQHHMCXDQPLGC-UHFFFAOYSA-N 0 1 344.375 2.013 20 5 EEBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790910448 808992855 /nfs/dbraw/zinc/99/28/55/808992855.db2.gz APFSAULBJRWXKH-VHSXEESVSA-N 0 1 343.786 2.481 20 5 EEBDMN CC[C@](C)(CC(=O)OC)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792869391 810038082 /nfs/dbraw/zinc/03/80/82/810038082.db2.gz BORHPPCZGHIWAR-CQSZACIVSA-N 0 1 325.321 2.324 20 5 EEBDMN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCN(C)CC23CCCC3)n1 ZINC001158409162 812987992 /nfs/dbraw/zinc/98/79/92/812987992.db2.gz VWCGGUXLRAMZSO-UHFFFAOYSA-N 0 1 325.800 2.411 20 5 EEBDMN O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000901984521 980665608 /nfs/dbraw/zinc/66/56/08/980665608.db2.gz LVLNCZCUNMZKGX-UHFFFAOYSA-N 0 1 328.752 2.314 20 5 EEBDMN COC[C@]1(C(=O)[O-])CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001599191947 997137802 /nfs/dbraw/zinc/13/78/02/997137802.db2.gz ZYTMJFRAMDPQFI-HNNXBMFYSA-N 0 1 326.324 2.190 20 5 EEBDMN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000055547290 214328329 /nfs/dbraw/zinc/32/83/29/214328329.db2.gz ACMKJSAQPNHYIX-UHFFFAOYSA-N 0 1 349.368 2.097 20 5 EEBDMN CNC(=O)CCCN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000154995413 529853129 /nfs/dbraw/zinc/85/31/29/529853129.db2.gz NNEDQECMBBHAFB-LLVKDONJSA-N 0 1 347.375 2.164 20 5 EEBDMN COc1ccc(OC)c([C@H](O)CNCc2ccccc2[N+](=O)[O-])c1 ZINC000065668087 214990974 /nfs/dbraw/zinc/99/09/74/214990974.db2.gz GVEXZHPBUMHKSP-MRXNPFEDSA-N 0 1 332.356 2.435 20 5 EEBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](CO)[C@H]3CCCO3)o2)c1 ZINC000447971292 242346619 /nfs/dbraw/zinc/34/66/19/242346619.db2.gz JYVKWGZPOBPOKJ-DOTOQJQBSA-N 0 1 332.356 2.484 20 5 EEBDMN COCC1(C)CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459626227 245190017 /nfs/dbraw/zinc/19/00/17/245190017.db2.gz ZPWJKEYDHDLJGW-UHFFFAOYSA-N 0 1 330.388 2.464 20 5 EEBDMN CC(C)(O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117106986 221031152 /nfs/dbraw/zinc/03/11/52/221031152.db2.gz STJOWHMQVXSCOH-UHFFFAOYSA-N 0 1 327.812 2.137 20 5 EEBDMN CC(C)c1nc([C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000270714450 256163618 /nfs/dbraw/zinc/16/36/18/256163618.db2.gz GZGKZEPTDQRPJD-JTQLQIEISA-N 0 1 332.364 2.126 20 5 EEBDMN Cc1c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000273066687 256261955 /nfs/dbraw/zinc/26/19/55/256261955.db2.gz YYXPFJBXNMDFHU-LLVKDONJSA-N 0 1 348.359 2.192 20 5 EEBDMN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356586466 141021950 /nfs/dbraw/zinc/02/19/50/141021950.db2.gz CYTQTIPKCLFPMO-YPMHNXCESA-N 0 1 349.387 2.114 20 5 EEBDMN COC(=O)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccs1 ZINC000356005826 153240326 /nfs/dbraw/zinc/24/03/26/153240326.db2.gz UNFBAYYIIVXNEH-GFCCVEGCSA-N 0 1 336.325 2.006 20 5 EEBDMN CCC[C@@H](NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000184843378 160018748 /nfs/dbraw/zinc/01/87/48/160018748.db2.gz DLUHAPPJCSJVCM-TZMCWYRMSA-N 0 1 346.391 2.334 20 5 EEBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]3OCCC[C@H]3C2)c2c(c1)COCO2 ZINC000246938843 160301859 /nfs/dbraw/zinc/30/18/59/160301859.db2.gz WUIGSZDKKMSBGU-LRDDRELGSA-N 0 1 334.372 2.462 20 5 EEBDMN CCN1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000344450127 161228801 /nfs/dbraw/zinc/22/88/01/161228801.db2.gz LNXCRNFXZDEALG-KBPBESRZSA-N 0 1 335.404 2.223 20 5 EEBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(C)cc(C)n2)c1 ZINC000351710942 161888972 /nfs/dbraw/zinc/88/89/72/161888972.db2.gz WSUAVKIXRXZNRK-UHFFFAOYSA-N 0 1 336.373 2.419 20 5 EEBDMN CCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000352498865 162159922 /nfs/dbraw/zinc/15/99/22/162159922.db2.gz ICCUUNMVQLSYME-CQSZACIVSA-N 0 1 341.433 2.056 20 5 EEBDMN CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352512120 162166188 /nfs/dbraw/zinc/16/61/88/162166188.db2.gz NNAFUDRERMIMDO-ZDUSSCGKSA-N 0 1 341.433 2.056 20 5 EEBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C2CC2)O1 ZINC000279630746 269296212 /nfs/dbraw/zinc/29/62/12/269296212.db2.gz DCIOPCBVSZLXQR-LKFCYVNXSA-N 0 1 330.344 2.111 20 5 EEBDMN Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000279897078 269314104 /nfs/dbraw/zinc/31/41/04/269314104.db2.gz DHXBZIBDISRIDM-DYVFJYSZSA-N 0 1 335.404 2.467 20 5 EEBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@](C)(O)CC2)cccc1[N+](=O)[O-] ZINC000279897078 269314106 /nfs/dbraw/zinc/31/41/06/269314106.db2.gz DHXBZIBDISRIDM-DYVFJYSZSA-N 0 1 335.404 2.467 20 5 EEBDMN O=C(NCCN1CC=CCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000280364316 269355838 /nfs/dbraw/zinc/35/58/38/269355838.db2.gz YKCNWTINJYINOJ-UHFFFAOYSA-N 0 1 344.415 2.187 20 5 EEBDMN C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000288576040 275071723 /nfs/dbraw/zinc/07/17/23/275071723.db2.gz XBTXLYREJPRJFP-UHFFFAOYSA-N 0 1 341.367 2.257 20 5 EEBDMN O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000291070085 275266994 /nfs/dbraw/zinc/26/69/94/275266994.db2.gz YPRJAPUVXQHTSZ-SJLPKXTDSA-N 0 1 342.351 2.196 20 5 EEBDMN COC(=O)N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000495121608 277335345 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EEBDMN CN(CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000045297229 462574613 /nfs/dbraw/zinc/57/46/13/462574613.db2.gz ZNMOLSOXFVPYDB-UHFFFAOYSA-N 0 1 339.355 2.337 20 5 EEBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000153105118 462615727 /nfs/dbraw/zinc/61/57/27/462615727.db2.gz WUIGSZDKKMSBGU-WBMJQRKESA-N 0 1 334.372 2.462 20 5 EEBDMN Cc1cc(NCc2cccnc2N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074743727 462629489 /nfs/dbraw/zinc/62/94/89/462629489.db2.gz DJEQCKVKEBBSTN-UHFFFAOYSA-N 0 1 342.403 2.057 20 5 EEBDMN Cc1ccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000075954818 462776369 /nfs/dbraw/zinc/77/63/69/462776369.db2.gz LIHISVZWTYDPIW-UHFFFAOYSA-N 0 1 349.435 2.051 20 5 EEBDMN Cc1nn(C)c(N2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000051504780 463038370 /nfs/dbraw/zinc/03/83/70/463038370.db2.gz LLKSFOKBPBKZPW-UHFFFAOYSA-N 0 1 329.404 2.001 20 5 EEBDMN C[C@H](N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000093882660 463050936 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Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194380025 463850278 /nfs/dbraw/zinc/85/02/78/463850278.db2.gz KIPITETUHZQISG-OKILXGFUSA-N 0 1 335.404 2.132 20 5 EEBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCOC1 ZINC000178769966 463968316 /nfs/dbraw/zinc/96/83/16/463968316.db2.gz CMFKDRZHSKIFAT-SNVBAGLBSA-N 0 1 327.768 2.155 20 5 EEBDMN O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](CN3CCOCC3)C2)c(F)c1 ZINC000284338816 464156453 /nfs/dbraw/zinc/15/64/53/464156453.db2.gz XSNOHPMENUSCTP-LBPRGKRZSA-N 0 1 341.358 2.027 20 5 EEBDMN C[C@@H](NCC(=O)NC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180423713 464308225 /nfs/dbraw/zinc/30/82/25/464308225.db2.gz IJMYENXBGHXDIH-LLVKDONJSA-N 0 1 334.376 2.014 20 5 EEBDMN C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H](C)CN1 ZINC000237541719 464335775 /nfs/dbraw/zinc/33/57/75/464335775.db2.gz CLLNDOTZNHGVGO-CABCVRRESA-N 0 1 349.434 2.364 20 5 EEBDMN Cc1noc(C)c1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000264556861 464372272 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LMAPSEKKKTZFDU-UHFFFAOYSA-N 0 1 347.423 2.333 20 5 EEBDMN CCN(CCC[NH+](CC)CC)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590687360 1349389164 /nfs/dbraw/zinc/38/91/64/1349389164.db2.gz LMAPSEKKKTZFDU-UHFFFAOYSA-N 0 1 347.423 2.333 20 5 EEBDMN CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590731830 1349394301 /nfs/dbraw/zinc/39/43/01/1349394301.db2.gz DNGGPBNBMJFVFQ-CYBMUJFWSA-N 0 1 345.407 2.370 20 5 EEBDMN CC[N@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590731830 1349394303 /nfs/dbraw/zinc/39/43/03/1349394303.db2.gz DNGGPBNBMJFVFQ-CYBMUJFWSA-N 0 1 345.407 2.370 20 5 EEBDMN CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590731830 1349394311 /nfs/dbraw/zinc/39/43/11/1349394311.db2.gz DNGGPBNBMJFVFQ-CYBMUJFWSA-N 0 1 345.407 2.370 20 5 EEBDMN CC[N@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590731830 1349394318 /nfs/dbraw/zinc/39/43/18/1349394318.db2.gz DNGGPBNBMJFVFQ-CYBMUJFWSA-N 0 1 345.407 2.370 20 5 EEBDMN O=[N+]([O-])c1cccc(CC[NH2+]Cc2csc(-c3nnn[n-]3)c2)c1 ZINC001593482508 1349814418 /nfs/dbraw/zinc/81/44/18/1349814418.db2.gz CYDGQUUTRYZOAK-UHFFFAOYSA-N 0 1 330.373 2.169 20 5 EEBDMN O=[N+]([O-])c1cccc(CC[NH2+]Cc2csc(-c3nn[n-]n3)c2)c1 ZINC001593482508 1349814420 /nfs/dbraw/zinc/81/44/20/1349814420.db2.gz CYDGQUUTRYZOAK-UHFFFAOYSA-N 0 1 330.373 2.169 20 5 EEBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC001600105822 1349972099 /nfs/dbraw/zinc/97/20/99/1349972099.db2.gz WKNMCSALJFFBTJ-CYBMUJFWSA-N 0 1 348.403 2.165 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001600304977 1350015579 /nfs/dbraw/zinc/01/55/79/1350015579.db2.gz AHPDKKRWGWJCOL-NORZTCDRSA-N 0 1 347.371 2.027 20 5 EEBDMN O=C([O-])[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC001601305863 1350253836 /nfs/dbraw/zinc/25/38/36/1350253836.db2.gz OZQFXVRRUGEEPF-DYEKYZERSA-N 0 1 347.371 2.109 20 5 EEBDMN O=C([O-])c1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001602246138 1350475649 /nfs/dbraw/zinc/47/56/49/1350475649.db2.gz GFVVGEYELOWALB-AWEZNQCLSA-N 0 1 347.371 2.040 20 5 EEBDMN Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001607990867 1351599300 /nfs/dbraw/zinc/59/93/00/1351599300.db2.gz HZABQQRZUXYRRE-NSHDSACASA-N 0 1 346.343 2.007 20 5 EEBDMN O=C(CCc1nc[nH]n1)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815217534 1367833026 /nfs/dbraw/zinc/83/30/26/1367833026.db2.gz GKQQBLPNDIDLIH-UHFFFAOYSA-N 0 1 344.249 2.408 20 5 EEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000840672776 782789632 /nfs/dbraw/zinc/78/96/32/782789632.db2.gz QDDRAQSWBMECTO-WDBKCZKBSA-N 0 1 328.324 2.375 20 5 EEBDMN O=C(NC[C@@H](O)c1cccc(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000070835016 780073193 /nfs/dbraw/zinc/07/31/93/780073193.db2.gz OTZDUGKHDWKBJB-CQSZACIVSA-N 0 1 344.302 2.074 20 5 EEBDMN Cc1n[nH]c(C(=O)NCC=CCNc2ncc([N+](=O)[O-])cc2C)c1C ZINC001107118883 784642271 /nfs/dbraw/zinc/64/22/71/784642271.db2.gz LGLDDTCNUCUBDN-SNAWJCMRSA-N 0 1 344.375 2.036 20 5 EEBDMN C[C@@H]1COCC[N@H+]1C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000821280734 786657590 /nfs/dbraw/zinc/65/75/90/786657590.db2.gz ZBYMEZJPWHEZMZ-CYBMUJFWSA-N 0 1 337.395 2.419 20 5 EEBDMN CC(C)[N@@H+](C)CC1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000910345935 786675809 /nfs/dbraw/zinc/67/58/09/786675809.db2.gz PEWJHMNGFQJBOI-UHFFFAOYSA-N 0 1 336.392 2.245 20 5 EEBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000822287411 787113462 /nfs/dbraw/zinc/11/34/62/787113462.db2.gz NLROMEHKFLAYGB-ZDUSSCGKSA-N 0 1 349.431 2.129 20 5 EEBDMN CN1CCN(c2ccccc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822335103 787135554 /nfs/dbraw/zinc/13/55/54/787135554.db2.gz DWFXOYQQKWHDGU-UHFFFAOYSA-N 0 1 334.420 2.212 20 5 EEBDMN O=C([O-])/C=C/c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000844215502 788934351 /nfs/dbraw/zinc/93/43/51/788934351.db2.gz QMXXUXSYXCXUNP-FXMSTWTQSA-N 0 1 328.328 2.316 20 5 EEBDMN CCOCCC(=O)N1CC2(C1)CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC001147182245 791748124 /nfs/dbraw/zinc/74/81/24/791748124.db2.gz RRESPRIZEKCWEA-UHFFFAOYSA-N 0 1 347.415 2.056 20 5 EEBDMN CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)c1cnc(C)[nH]1 ZINC001106705431 796237666 /nfs/dbraw/zinc/23/76/66/796237666.db2.gz AVDAFGIXZZKOAG-UHFFFAOYSA-N 0 1 335.339 2.340 20 5 EEBDMN CCN1C[C@@H](C)N([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172921820 797152215 /nfs/dbraw/zinc/15/22/15/797152215.db2.gz UKAYMMYSJHMJPC-CJNGLKHVSA-N 0 1 331.416 2.395 20 5 EEBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H](F)C(C)(C)O)c1F ZINC001173177702 797278175 /nfs/dbraw/zinc/27/81/75/797278175.db2.gz DIBSMNFPBLWCBA-TVQRCGJNSA-N 0 1 332.347 2.372 20 5 EEBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccnn2)CC1 ZINC001173225061 797309235 /nfs/dbraw/zinc/30/92/35/797309235.db2.gz BEIYIQWQRKZUMO-CQSZACIVSA-N 0 1 327.388 2.138 20 5 EEBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)CCO ZINC001179576501 799980784 /nfs/dbraw/zinc/98/07/84/799980784.db2.gz IWRADZWBDUXNRB-UHFFFAOYSA-N 0 1 325.368 2.277 20 5 EEBDMN Cc1csc(CCC(=O)NCCNCc2ccccc2[N+](=O)[O-])n1 ZINC001131374462 812752136 /nfs/dbraw/zinc/75/21/36/812752136.db2.gz BBEDDJURCXILJV-UHFFFAOYSA-N 0 1 348.428 2.198 20 5 EEBDMN O=[N+]([O-])c1ccc(N2CCN(CC[C@H](O)c3ccccc3)CC2)cn1 ZINC000808707162 812815215 /nfs/dbraw/zinc/81/52/15/812815215.db2.gz GCPDGXWGAPLFJK-KRWDZBQOSA-N 0 1 342.399 2.236 20 5 EEBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000178570246 529962113 /nfs/dbraw/zinc/96/21/13/529962113.db2.gz QYJVJQNWDMPLDY-HOTGVXAUSA-N 0 1 344.367 2.400 20 5 EEBDMN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000178568145 232262629 /nfs/dbraw/zinc/26/26/29/232262629.db2.gz MJEYNNXYRQAYHZ-RISCZKNCSA-N 0 1 327.344 2.022 20 5 EEBDMN COc1ccccc1[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])OC(C)C ZINC000186528971 235933827 /nfs/dbraw/zinc/93/38/27/235933827.db2.gz XJDHTYYSCXWVPK-AWEZNQCLSA-N 0 1 348.359 2.223 20 5 EEBDMN O=[N+]([O-])c1ccn(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000130228505 223133856 /nfs/dbraw/zinc/13/38/56/223133856.db2.gz JYAGUCRKSBCXAS-UHFFFAOYSA-N 0 1 331.332 2.364 20 5 EEBDMN CC(C)(C(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccccc1[N+](=O)[O-] ZINC000425062222 241118821 /nfs/dbraw/zinc/11/88/21/241118821.db2.gz VHNSDODOKMOHIQ-LLVKDONJSA-N 0 1 329.360 2.007 20 5 EEBDMN CC[C@H](C)[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000442789308 242113529 /nfs/dbraw/zinc/11/35/29/242113529.db2.gz JXXAZYCUVWIHKD-NSHDSACASA-N 0 1 326.349 2.167 20 5 EEBDMN CCn1cc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000451890131 243293329 /nfs/dbraw/zinc/29/33/29/243293329.db2.gz OOYPNCUPUWFFDR-BLLLJJGKSA-N 0 1 343.387 2.267 20 5 EEBDMN C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000112079692 220239600 /nfs/dbraw/zinc/23/96/00/220239600.db2.gz CINANIGJNPHMJQ-ZDUSSCGKSA-N 0 1 329.404 2.191 20 5 EEBDMN Cc1ccnc(NCc2cccnc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265194894 247287818 /nfs/dbraw/zinc/28/78/18/247287818.db2.gz LSXQQNPRGPSLPK-UHFFFAOYSA-N 0 1 342.403 2.057 20 5 EEBDMN CNC(=O)[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000272814644 256241481 /nfs/dbraw/zinc/24/14/81/256241481.db2.gz HPPMASKGXJCPJG-LBPRGKRZSA-N 0 1 328.372 2.414 20 5 EEBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nnc[nH]1 ZINC000174555209 533279626 /nfs/dbraw/zinc/27/96/26/533279626.db2.gz FETDMHSWRJOZHW-LLVKDONJSA-N 0 1 344.375 2.194 20 5 EEBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000355889553 153189510 /nfs/dbraw/zinc/18/95/10/153189510.db2.gz RRBJYJOKLKBLOJ-UHFFFAOYSA-N 0 1 340.288 2.263 20 5 EEBDMN O=C(c1ccc(F)cc1O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188571405 160125600 /nfs/dbraw/zinc/12/56/00/160125600.db2.gz KGHLUPKLQNZOFW-UHFFFAOYSA-N 0 1 332.287 2.343 20 5 EEBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000192896384 160175758 /nfs/dbraw/zinc/17/57/58/160175758.db2.gz LCWBQOLXCMIXSS-GXFFZTMASA-N 0 1 329.360 2.499 20 5 EEBDMN CCN(C[C@@H]1CCCO1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343629350 161152694 /nfs/dbraw/zinc/15/26/94/161152694.db2.gz UAMZDKPVQBDWHU-JKSUJKDBSA-N 0 1 333.388 2.201 20 5 EEBDMN CNC(=O)N[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344880819 161253331 /nfs/dbraw/zinc/25/33/31/161253331.db2.gz HDMKTVSWOWZQBH-CYBMUJFWSA-N 0 1 344.371 2.358 20 5 EEBDMN CCN1C[C@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345941778 161344082 /nfs/dbraw/zinc/34/40/82/161344082.db2.gz DNDINWQMYWMQLR-KGLIPLIRSA-N 0 1 334.420 2.338 20 5 EEBDMN CCN1C[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345975069 161346906 /nfs/dbraw/zinc/34/69/06/161346906.db2.gz XTKOQMGHZBFTDE-KGLIPLIRSA-N 0 1 335.404 2.305 20 5 EEBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc[nH]c(=O)c1 ZINC000355198099 163107680 /nfs/dbraw/zinc/10/76/80/163107680.db2.gz JAGQEBBZGSZXEC-MRVPVSSYSA-N 0 1 327.300 2.063 20 5 EEBDMN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358981607 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KNYOYVLIAXXCEK-BZNIZROVSA-N 0 1 344.371 2.360 20 5 EEBDMN C[C@H](O)[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000296273724 465139452 /nfs/dbraw/zinc/13/94/52/465139452.db2.gz KNYOYVLIAXXCEK-MEDUHNTESA-N 0 1 344.371 2.360 20 5 EEBDMN CC(C)CSCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000339446579 465279482 /nfs/dbraw/zinc/27/94/82/465279482.db2.gz CKEUQBKXWUIYCE-UHFFFAOYSA-N 0 1 336.410 2.401 20 5 EEBDMN COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)c2c1C(=O)CO2 ZINC000351691620 465295369 /nfs/dbraw/zinc/29/53/69/465295369.db2.gz GLWZQUJAXBIREZ-UHFFFAOYSA-N 0 1 343.291 2.440 20 5 EEBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2COc3ccc(F)cc32)c1 ZINC000520799071 468271538 /nfs/dbraw/zinc/27/15/38/468271538.db2.gz FBTKZRDUTIBDHB-CZUORRHYSA-N 0 1 348.330 2.197 20 5 EEBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000127630473 462570819 /nfs/dbraw/zinc/57/08/19/462570819.db2.gz CLTFKOSFPCRCSV-ZFWWWQNUSA-N 0 1 345.399 2.389 20 5 EEBDMN CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113301142 462588065 /nfs/dbraw/zinc/58/80/65/462588065.db2.gz OZNAUGQOJOLKLB-ZDUSSCGKSA-N 0 1 341.433 2.138 20 5 EEBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)OC[C@H]1C ZINC000045785893 462617755 /nfs/dbraw/zinc/61/77/55/462617755.db2.gz FNZYAENXCCHDBX-VXGBXAGGSA-N 0 1 337.376 2.041 20 5 EEBDMN Cc1ncsc1CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066565959 462904107 /nfs/dbraw/zinc/90/41/07/462904107.db2.gz VYXKZHCPRGCZCE-CYBMUJFWSA-N 0 1 337.401 2.231 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CC(C)C)CC1 ZINC000020543600 463029108 /nfs/dbraw/zinc/02/91/08/463029108.db2.gz WTHLVFJPFRAYFI-UHFFFAOYSA-N 0 1 336.392 2.409 20 5 EEBDMN Cc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000023509339 463067418 /nfs/dbraw/zinc/06/74/18/463067418.db2.gz RDJLJQMSGZMJAG-KBPBESRZSA-N 0 1 335.404 2.132 20 5 EEBDMN O=[N+]([O-])c1cccnc1N1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000590781102 468337662 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O=C(NC1CCN(Cc2ccncc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000057167709 463460301 /nfs/dbraw/zinc/46/03/01/463460301.db2.gz WGZKKAASXAADKM-UHFFFAOYSA-N 0 1 346.412 2.446 20 5 EEBDMN CCc1ccc([C@H]2CNCCN2C(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000261928338 463902908 /nfs/dbraw/zinc/90/29/08/463902908.db2.gz JHAWTPUJBZISPP-MRXNPFEDSA-N 0 1 342.399 2.282 20 5 EEBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(C2CCC2)CC1 ZINC000287533800 463918744 /nfs/dbraw/zinc/91/87/44/463918744.db2.gz VRAWODATRHKDDI-UHFFFAOYSA-N 0 1 333.388 2.364 20 5 EEBDMN CCc1[nH]nc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171807502 463929176 /nfs/dbraw/zinc/92/91/76/463929176.db2.gz MNHGJMJUARSYBO-LBPRGKRZSA-N 0 1 329.360 2.207 20 5 EEBDMN Cc1cc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000172182376 464010314 /nfs/dbraw/zinc/01/03/14/464010314.db2.gz WSRPRDXLCPGVLO-UHFFFAOYSA-N 0 1 349.324 2.139 20 5 EEBDMN Cc1cc(OCC(=O)N[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000280885585 464264811 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/nfs/dbraw/zinc/32/81/29/275328129.db2.gz BDBVYLBDUGUYER-OCCSQVGLSA-N 0 1 343.387 2.019 20 5 EEBDMN NC(=O)c1cnccc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000302168484 294937027 /nfs/dbraw/zinc/93/70/27/294937027.db2.gz SQXUYMNNNUVMHW-UHFFFAOYSA-N 0 1 342.355 2.137 20 5 EEBDMN O=C([C@H]1Cc2ccccc2CN1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159605545 311343219 /nfs/dbraw/zinc/34/32/19/311343219.db2.gz JGXRPPKSWSMGQO-GOSISDBHSA-N 0 1 337.379 2.194 20 5 EEBDMN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc(-c3cccs3)n[nH]2)n1 ZINC000350889208 312350745 /nfs/dbraw/zinc/35/07/45/312350745.db2.gz IUQZYRJYXMBUEY-UHFFFAOYSA-N 0 1 343.328 2.497 20 5 EEBDMN CC(C)(C)OC(=O)NC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000495745852 316084805 /nfs/dbraw/zinc/08/48/05/316084805.db2.gz MGRRXOBLLKZCMG-UHFFFAOYSA-N 0 1 325.321 2.137 20 5 EEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000566222079 319261283 /nfs/dbraw/zinc/26/12/83/319261283.db2.gz SFNGVSRAWMXULQ-CMPLNLGQSA-N 0 1 346.343 2.330 20 5 EEBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1NCCc2ccccc21 ZINC000572524515 319853985 /nfs/dbraw/zinc/85/39/85/319853985.db2.gz VRWPKSRULIUJMR-KRWDZBQOSA-N 0 1 341.367 2.107 20 5 EEBDMN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccco1 ZINC000578309270 320306386 /nfs/dbraw/zinc/30/63/86/320306386.db2.gz XWBRVLGYOCIZQU-UHFFFAOYSA-N 0 1 334.376 2.120 20 5 EEBDMN Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582124504 324385985 /nfs/dbraw/zinc/38/59/85/324385985.db2.gz HTPPUWHKZGJMSB-RYUDHWBXSA-N 0 1 337.376 2.123 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCO)[C@@H]1CC[C@H](C)C1 ZINC000351618482 465254745 /nfs/dbraw/zinc/25/47/45/465254745.db2.gz HLRVQURBVIEFPD-GXTWGEPZSA-N 0 1 335.404 2.325 20 5 EEBDMN COc1ccc(C(=O)COc2ccccc2[N+](=O)[O-])c2c1C(=O)CO2 ZINC000351697711 465298817 /nfs/dbraw/zinc/29/88/17/465298817.db2.gz OOHQEOLGFBUELH-UHFFFAOYSA-N 0 1 343.291 2.440 20 5 EEBDMN C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000153507729 462658976 /nfs/dbraw/zinc/65/89/76/462658976.db2.gz QRTGDAICZACVFJ-STQMWFEESA-N 0 1 332.404 2.017 20 5 EEBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000129327530 462700956 /nfs/dbraw/zinc/70/09/56/462700956.db2.gz FDRYLHCDPCOOLE-CYBMUJFWSA-N 0 1 339.823 2.402 20 5 EEBDMN CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000117299921 462796440 /nfs/dbraw/zinc/79/64/40/462796440.db2.gz ZHKDYWVISQYTHI-FDMDGMSGSA-N 0 1 347.415 2.177 20 5 EEBDMN CC[C@H](NCCS(=O)(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000154805840 462810871 /nfs/dbraw/zinc/81/08/71/462810871.db2.gz ZDHPAKOKZPHTIY-HNNXBMFYSA-N 0 1 343.449 2.307 20 5 EEBDMN CCNC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000016126456 462970100 /nfs/dbraw/zinc/97/01/00/462970100.db2.gz BSXGNJIVTFBUEO-UHFFFAOYSA-N 0 1 349.368 2.145 20 5 EEBDMN CCOCCCNC(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000051737964 463046333 /nfs/dbraw/zinc/04/63/33/463046333.db2.gz FTFIKNBKSRESTG-UHFFFAOYSA-N 0 1 349.431 2.350 20 5 EEBDMN COc1cc([C@@H]2NC(=O)c3ccccc3N2C)cc([N+](=O)[O-])c1O ZINC000024098651 463078159 /nfs/dbraw/zinc/07/81/59/463078159.db2.gz QPCSJRBKSYCBCV-OAHLLOKOSA-N 0 1 329.312 2.187 20 5 EEBDMN O=C(NCc1cn2ccccc2n1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000078250826 463094769 /nfs/dbraw/zinc/09/47/69/463094769.db2.gz BOSHVIMKGUOITI-UHFFFAOYSA-N 0 1 336.311 2.049 20 5 EEBDMN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000121551636 463155375 /nfs/dbraw/zinc/15/53/75/463155375.db2.gz WAAYKOJLILZTFP-AAEUAGOBSA-N 0 1 330.344 2.216 20 5 EEBDMN Cc1cnc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000080641444 463341809 /nfs/dbraw/zinc/34/18/09/463341809.db2.gz UEEVJASRPXUJNV-UHFFFAOYSA-N 0 1 331.737 2.023 20 5 EEBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCOCC1 ZINC000165107129 463638973 /nfs/dbraw/zinc/63/89/73/463638973.db2.gz WWZRADMEZDVTRM-ZFWWWQNUSA-N 0 1 335.404 2.191 20 5 EEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170681339 463694342 /nfs/dbraw/zinc/69/43/42/463694342.db2.gz OEKGJWLGDIQQES-SNVBAGLBSA-N 0 1 340.343 2.214 20 5 EEBDMN Cc1[nH]nc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000268477510 463758764 /nfs/dbraw/zinc/75/87/64/463758764.db2.gz LTECDTWMOJKDKQ-LBPRGKRZSA-N 0 1 334.332 2.041 20 5 EEBDMN CC(C)Oc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000269219893 463915211 /nfs/dbraw/zinc/91/52/11/463915211.db2.gz ZYOHDNNTQWIJLE-UHFFFAOYSA-N 0 1 331.328 2.413 20 5 EEBDMN Cc1nnc(SCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000186017295 463922408 /nfs/dbraw/zinc/92/24/08/463922408.db2.gz RAJJXKYSOXWYQH-UHFFFAOYSA-N 0 1 341.780 2.083 20 5 EEBDMN Cc1n[nH]c(SCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000186017295 463922412 /nfs/dbraw/zinc/92/24/12/463922412.db2.gz RAJJXKYSOXWYQH-UHFFFAOYSA-N 0 1 341.780 2.083 20 5 EEBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(OC)c(C)c2)c1[N+](=O)[O-] ZINC000171809401 463928939 /nfs/dbraw/zinc/92/89/39/463928939.db2.gz STCYZLYMRRVFES-UHFFFAOYSA-N 0 1 332.360 2.470 20 5 EEBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000278039912 463942381 /nfs/dbraw/zinc/94/23/81/463942381.db2.gz ZHXTXNMFXRULHP-QWRGUYRKSA-N 0 1 347.375 2.483 20 5 EEBDMN CSc1nsc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])n1 ZINC000269457903 463992030 /nfs/dbraw/zinc/99/20/30/463992030.db2.gz HEOIKHUMJPNDQN-UHFFFAOYSA-N 0 1 328.379 2.267 20 5 EEBDMN CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000225345346 464156044 /nfs/dbraw/zinc/15/60/44/464156044.db2.gz AQNVBFWOYBSRFU-NSHDSACASA-N 0 1 343.225 2.015 20 5 EEBDMN C[C@H]1OCC[C@]12CN(CCCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280615667 464222735 /nfs/dbraw/zinc/22/27/35/464222735.db2.gz XYCDFHJHMMWBLQ-PBHICJAKSA-N 0 1 336.388 2.244 20 5 EEBDMN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000271773870 464380029 /nfs/dbraw/zinc/38/00/29/464380029.db2.gz JDDPIZILMKPSJN-GXSJLCMTSA-N 0 1 342.758 2.296 20 5 EEBDMN C[N@H+]1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000282491726 464838191 /nfs/dbraw/zinc/83/81/91/464838191.db2.gz WBELZGYFSALTCG-UHFFFAOYSA-N 0 1 340.855 2.364 20 5 EEBDMN Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298887313 465533456 /nfs/dbraw/zinc/53/34/56/465533456.db2.gz SQQKMNUOTZBBQE-UHFFFAOYSA-N 0 1 343.387 2.235 20 5 EEBDMN COc1cc(C(=O)Nc2ccc3[nH]nnc3c2)cc([N+](=O)[O-])c1OC ZINC000337736208 465548082 /nfs/dbraw/zinc/54/80/82/465548082.db2.gz IUMCTCALAFYCJW-UHFFFAOYSA-N 0 1 343.299 2.136 20 5 EEBDMN C[C@@H]1[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000357012414 465700197 /nfs/dbraw/zinc/70/01/97/465700197.db2.gz YUNZGKSWWKSXEP-GHMZBOCLSA-N 0 1 340.811 2.211 20 5 EEBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000371364521 465745168 /nfs/dbraw/zinc/74/51/68/465745168.db2.gz OABGFERPOAKHHM-LBPRGKRZSA-N 0 1 336.392 2.159 20 5 EEBDMN CSc1n[nH]c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000340124853 465788817 /nfs/dbraw/zinc/78/88/17/465788817.db2.gz GXBYJHJQOFLEER-UHFFFAOYSA-N 0 1 332.345 2.097 20 5 EEBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2cn[nH]c21 ZINC000340133499 465797751 /nfs/dbraw/zinc/79/77/51/465797751.db2.gz FYXOIDUXSBVHRV-AWEZNQCLSA-N 0 1 329.360 2.237 20 5 EEBDMN Cn1ccnc1[C@@H](NCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000353495266 465930443 /nfs/dbraw/zinc/93/04/43/465930443.db2.gz HVNDODZTECRGJK-INIZCTEOSA-N 0 1 330.388 2.434 20 5 EEBDMN O=C(N[C@H](CO)CC1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000338249036 465944070 /nfs/dbraw/zinc/94/40/70/465944070.db2.gz NZMBHGDZQZAYSX-NSHDSACASA-N 0 1 332.360 2.142 20 5 EEBDMN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000338298943 465995541 /nfs/dbraw/zinc/99/55/41/465995541.db2.gz DUOVOITVVMWWPH-RYUDHWBXSA-N 0 1 337.376 2.019 20 5 EEBDMN C[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)N1CCN(C)CC1 ZINC000302142834 466103849 /nfs/dbraw/zinc/10/38/49/466103849.db2.gz FUTQBLCKLJUSKJ-NSHDSACASA-N 0 1 344.362 2.244 20 5 EEBDMN CC(C)(O)[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000305455382 466409037 /nfs/dbraw/zinc/40/90/37/466409037.db2.gz SXCIBFHBAZTARX-ZDUSSCGKSA-N 0 1 332.360 2.380 20 5 EEBDMN COc1ccc(-c2ccc(CN[C@@]3(CO)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000350228611 466433052 /nfs/dbraw/zinc/43/30/52/466433052.db2.gz VGLGZOMHROQTDE-QGZVFWFLSA-N 0 1 348.355 2.104 20 5 EEBDMN CC(C)(C)OC(=O)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354322253 466473178 /nfs/dbraw/zinc/47/31/78/466473178.db2.gz PAULEOSARVRURE-UHFFFAOYSA-N 0 1 348.359 2.323 20 5 EEBDMN COc1ccc(NC(=O)CCN2CC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000347348198 466583905 /nfs/dbraw/zinc/58/39/05/466583905.db2.gz KMDMGWCFMOSLGO-HNNXBMFYSA-N 0 1 325.340 2.366 20 5 EEBDMN O=[N+]([O-])c1cnn(CCN(Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c1 ZINC000347352015 466584663 /nfs/dbraw/zinc/58/46/63/466584663.db2.gz XMPLUHYQTXGYGU-KBPBESRZSA-N 0 1 348.428 2.292 20 5 EEBDMN O=C(NCc1cnc[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431949267 467205555 /nfs/dbraw/zinc/20/55/55/467205555.db2.gz IGJJGFHJVHOXAP-UHFFFAOYSA-N 0 1 325.122 2.010 20 5 EEBDMN Cc1nc(N2CCN(Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000413530888 467261618 /nfs/dbraw/zinc/26/16/18/467261618.db2.gz KYBIHAKKYMVLAB-CYBMUJFWSA-N 0 1 327.388 2.404 20 5 EEBDMN C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C)C1 ZINC000436792131 467554586 /nfs/dbraw/zinc/55/45/86/467554586.db2.gz MIWCJEVDHVNRBW-SLEUVZQESA-N 0 1 333.388 2.103 20 5 EEBDMN C[C@H](CCCO)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449408476 467640806 /nfs/dbraw/zinc/64/08/06/467640806.db2.gz NZGGTATVLQDMKV-CJNGLKHVSA-N 0 1 332.404 2.416 20 5 EEBDMN CC[C@H](C)N1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000457928761 467731988 /nfs/dbraw/zinc/73/19/88/467731988.db2.gz BHYRZYVCGLZZRX-AWEZNQCLSA-N 0 1 334.420 2.263 20 5 EEBDMN CC(C)(C)OC(=O)N1CC(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000497010870 467783962 /nfs/dbraw/zinc/78/39/62/467783962.db2.gz LCGYBPZLEYERKA-UHFFFAOYSA-N 0 1 339.348 2.337 20 5 EEBDMN CCOC(=O)c1ccnc(N2CCN(CC)C[C@@H]2CC)c1[N+](=O)[O-] ZINC000450826524 467915428 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345.315 2.019 20 5 EEBDMN COC(=O)c1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc([N+](=O)[O-])c1 ZINC000273630393 256313268 /nfs/dbraw/zinc/31/32/68/256313268.db2.gz QGPPXSBNLGZAAQ-UHFFFAOYSA-N 0 1 345.315 2.019 20 5 EEBDMN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCN(CC2CC2)CC1 ZINC000058258231 292148119 /nfs/dbraw/zinc/14/81/19/292148119.db2.gz BLKYCXUVOIAGOY-GQCTYLIASA-N 0 1 333.363 2.301 20 5 EEBDMN C[C@H](O)[C@H]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000248544207 160350146 /nfs/dbraw/zinc/35/01/46/160350146.db2.gz IVSAVWMNFQHNJT-GVXVVHGQSA-N 0 1 332.360 2.409 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000122953638 292277302 /nfs/dbraw/zinc/27/73/02/292277302.db2.gz CAEXOYHSYANRPT-CQSZACIVSA-N 0 1 336.392 2.407 20 5 EEBDMN CCOCCCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000046061855 158916476 /nfs/dbraw/zinc/91/64/76/158916476.db2.gz VHIAGWIWFHOHBR-UHFFFAOYSA-N 0 1 349.431 2.350 20 5 EEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc4c3OCO4)C2)nc1 ZINC000093534343 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C[C@@H](CCc1ccco1)NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001575966810 1343930344 /nfs/dbraw/zinc/93/03/44/1343930344.db2.gz SHRFZFMRFBOKRR-YVEFUNNKSA-N 0 1 331.372 2.499 20 5 EEBDMN CC(C)O[C@H](Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)c1ccccc1 ZINC001589738584 1349026382 /nfs/dbraw/zinc/02/63/82/1349026382.db2.gz YBWQVQLDVYOAHR-CYBMUJFWSA-N 0 1 343.347 2.138 20 5 EEBDMN CC(C)CCc1nc(Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)cs1 ZINC001603284759 1350680113 /nfs/dbraw/zinc/68/01/13/1350680113.db2.gz ODOCVLQSVRHZDK-UHFFFAOYSA-N 0 1 348.392 2.065 20 5 EEBDMN C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001604714208 1350989959 /nfs/dbraw/zinc/98/99/59/1350989959.db2.gz XXQQPLVKGIZBCO-JUTUQKRISA-N 0 1 338.335 2.329 20 5 EEBDMN C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001604714208 1350989962 /nfs/dbraw/zinc/98/99/62/1350989962.db2.gz XXQQPLVKGIZBCO-JUTUQKRISA-N 0 1 338.335 2.329 20 5 EEBDMN 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0 1 346.391 2.424 20 5 EEBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000186877164 464077175 /nfs/dbraw/zinc/07/71/75/464077175.db2.gz NMNUGKAXVWHLSN-UHFFFAOYSA-N 0 1 333.388 2.391 20 5 EEBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN2CCCC[C@@H]2C1 ZINC000172804392 464146631 /nfs/dbraw/zinc/14/66/31/464146631.db2.gz ACASPIGHRVNSFW-XJKSGUPXSA-N 0 1 332.404 2.092 20 5 EEBDMN CC(C)(C)c1nc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000292552748 464270932 /nfs/dbraw/zinc/27/09/32/464270932.db2.gz HLGLVZWUWXBRST-UHFFFAOYSA-N 0 1 344.419 2.333 20 5 EEBDMN CCC[C@H](NCCS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180463464 464316081 /nfs/dbraw/zinc/31/60/81/464316081.db2.gz HQRRSAAOZPXCAJ-HNNXBMFYSA-N 0 1 343.449 2.353 20 5 EEBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264577413 464381585 /nfs/dbraw/zinc/38/15/85/464381585.db2.gz BCMYFBLBQMZOBB-CHWSQXEVSA-N 0 1 334.294 2.361 20 5 EEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)C2)nc1 ZINC000245430138 464481285 /nfs/dbraw/zinc/48/12/85/464481285.db2.gz ACIKNCVFPJXTEW-WBVHZDCISA-N 0 1 342.399 2.080 20 5 EEBDMN O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181783991 464528672 /nfs/dbraw/zinc/52/86/72/464528672.db2.gz NMFIJQNRADTJEF-CQSZACIVSA-N 0 1 345.355 2.460 20 5 EEBDMN C[C@@H](O)CN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281927223 464637160 /nfs/dbraw/zinc/63/71/60/464637160.db2.gz DAEBKCBNOHHTTA-NWDGAFQWSA-N 0 1 327.812 2.135 20 5 EEBDMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000272593896 464672971 /nfs/dbraw/zinc/67/29/71/464672971.db2.gz OJQUXSMLGLXOKA-JKSUJKDBSA-N 0 1 346.431 2.263 20 5 EEBDMN CC(C)CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247540551 464693273 /nfs/dbraw/zinc/69/32/73/464693273.db2.gz JYSRCWFBDYTIGE-NVXWUHKLSA-N 0 1 338.404 2.081 20 5 EEBDMN CC(C)N1C(=O)N[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000285997900 464768735 /nfs/dbraw/zinc/76/87/35/464768735.db2.gz POYYAGSTQJYQQU-CVEARBPZSA-N 0 1 332.404 2.014 20 5 EEBDMN CCN1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286174620 464828432 /nfs/dbraw/zinc/82/84/32/464828432.db2.gz ABZCYQFCGGTKQL-ZDUSSCGKSA-N 0 1 334.420 2.263 20 5 EEBDMN Cc1noc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n1 ZINC000286386490 464900944 /nfs/dbraw/zinc/90/09/44/464900944.db2.gz BLDWBXUVTWETLQ-GFCCVEGCSA-N 0 1 342.315 2.140 20 5 EEBDMN COc1ccccc1O[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000286486813 464935492 /nfs/dbraw/zinc/93/54/92/464935492.db2.gz OSVQWABJMPUVRC-AWEZNQCLSA-N 0 1 346.387 2.343 20 5 EEBDMN COCCOC[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177160985 464946013 /nfs/dbraw/zinc/94/60/13/464946013.db2.gz GAGGLZGONRGKSJ-LBPRGKRZSA-N 0 1 335.360 2.221 20 5 EEBDMN C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000276624848 465005633 /nfs/dbraw/zinc/00/56/33/465005633.db2.gz NHHRYSNIQSVKNJ-ZDUSSCGKSA-N 0 1 344.415 2.424 20 5 EEBDMN COCC[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000591269715 468434365 /nfs/dbraw/zinc/43/43/65/468434365.db2.gz RWNTVDJCSGPSOH-UHFFFAOYSA-N 0 1 334.328 2.388 20 5 EEBDMN COCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000591269715 468434369 /nfs/dbraw/zinc/43/43/69/468434369.db2.gz RWNTVDJCSGPSOH-UHFFFAOYSA-N 0 1 334.328 2.388 20 5 EEBDMN C[N@H+]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000356724012 465508105 /nfs/dbraw/zinc/50/81/05/465508105.db2.gz FZECSVGYRRZOBZ-IRXDYDNUSA-N 0 1 341.367 2.128 20 5 EEBDMN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356793886 465543777 /nfs/dbraw/zinc/54/37/77/465543777.db2.gz CONJYBXEBHPCRB-CYBMUJFWSA-N 0 1 345.359 2.280 20 5 EEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccnn1C ZINC000348411879 465590978 /nfs/dbraw/zinc/59/09/78/465590978.db2.gz UHWMIRLNCVRFLN-UHFFFAOYSA-N 0 1 331.376 2.097 20 5 EEBDMN O=C(N[C@@H]1COc2ccc(F)cc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000344971869 465810849 /nfs/dbraw/zinc/81/08/49/465810849.db2.gz BBUKQRPFFAJSAF-CYBMUJFWSA-N 0 1 342.286 2.474 20 5 EEBDMN CCN1CCC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301073251 465895855 /nfs/dbraw/zinc/89/58/55/465895855.db2.gz FXSQJWDEHFYGNV-GFCCVEGCSA-N 0 1 341.433 2.142 20 5 EEBDMN O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000361404817 465965056 /nfs/dbraw/zinc/96/50/56/465965056.db2.gz OBIRABJIYAFERI-DLBZAZTESA-N 0 1 330.388 2.379 20 5 EEBDMN C[C@H](CO)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361496182 466046169 /nfs/dbraw/zinc/04/61/69/466046169.db2.gz JPYUMPBYKREKJX-CYBMUJFWSA-N 0 1 335.404 2.041 20 5 EEBDMN CN(C[C@@H]1CCCC[C@H]1O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000305786446 466464177 /nfs/dbraw/zinc/46/41/77/466464177.db2.gz BCTLVVMEWNKJCU-RRQGHBQHSA-N 0 1 347.415 2.183 20 5 EEBDMN COc1ccccc1[C@@H](N)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000591681079 468502054 /nfs/dbraw/zinc/50/20/54/468502054.db2.gz QJAWVMRGUGGIMO-INIZCTEOSA-N 0 1 343.383 2.352 20 5 EEBDMN CCc1ccc([C@H]2CNCCN2C(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000591684856 468502332 /nfs/dbraw/zinc/50/23/32/468502332.db2.gz OMUJUSKMTYWCAL-QGZVFWFLSA-N 0 1 342.399 2.282 20 5 EEBDMN O=C1CC[C@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000569509493 468503016 /nfs/dbraw/zinc/50/30/16/468503016.db2.gz XJUGWFYRGMOLMY-BLLLJJGKSA-N 0 1 345.399 2.276 20 5 EEBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000370287837 466825275 /nfs/dbraw/zinc/82/52/75/466825275.db2.gz KCMVUJCOXSGPJW-GJZGRUSLSA-N 0 1 333.388 2.237 20 5 EEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1ncc[nH]1 ZINC000378407531 467293788 /nfs/dbraw/zinc/29/37/88/467293788.db2.gz XIQNARKARAWEJB-GFCCVEGCSA-N 0 1 326.316 2.172 20 5 EEBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCCC1(C)C ZINC000452093107 467319836 /nfs/dbraw/zinc/31/98/36/467319836.db2.gz VRUINOFGRQVAEG-UHFFFAOYSA-N 0 1 341.433 2.056 20 5 EEBDMN COC(=O)c1cnc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000433808499 467354217 /nfs/dbraw/zinc/35/42/17/467354217.db2.gz CWACYXXIEOIWOV-ZDUSSCGKSA-N 0 1 334.376 2.205 20 5 EEBDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429770385 467368247 /nfs/dbraw/zinc/36/82/47/467368247.db2.gz UIBJFEBYIQTXQB-HUUCEWRRSA-N 0 1 344.371 2.254 20 5 EEBDMN CCc1nc(CNc2ncc([N+](=O)[O-])c(C)c2Br)n[nH]1 ZINC000392451169 467427174 /nfs/dbraw/zinc/42/71/74/467427174.db2.gz HONHCZWVSYIFTA-UHFFFAOYSA-N 0 1 341.169 2.353 20 5 EEBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2cn[nH]n2)c1 ZINC000442671138 467576731 /nfs/dbraw/zinc/57/67/31/467576731.db2.gz LBFSAYZHTNETGY-UHFFFAOYSA-N 0 1 339.311 2.397 20 5 EEBDMN CC(C)(C)c1nc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000493335764 467888730 /nfs/dbraw/zinc/88/87/30/467888730.db2.gz NTRZZEBDWTWDNB-RMKNXTFCSA-N 0 1 329.360 2.340 20 5 EEBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000489212388 468123428 /nfs/dbraw/zinc/12/34/28/468123428.db2.gz GEVVOFNPOAJDTQ-QWRGUYRKSA-N 0 1 347.375 2.483 20 5 EEBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000589260833 468138001 /nfs/dbraw/zinc/13/80/01/468138001.db2.gz OUVSAIVWYBXJDU-TXEJJXNPSA-N 0 1 345.355 2.089 20 5 EEBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(C)(C)OC ZINC000533020084 468162712 /nfs/dbraw/zinc/16/27/12/468162712.db2.gz CAMCQIBZLGTGDI-NSHDSACASA-N 0 1 339.392 2.287 20 5 EEBDMN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567942362 468241259 /nfs/dbraw/zinc/24/12/59/468241259.db2.gz KWULVYFTXVOMCN-VIFPVBQESA-N 0 1 339.779 2.168 20 5 EEBDMN Cn1nc(C2CCOCC2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600427449 468554292 /nfs/dbraw/zinc/55/42/92/468554292.db2.gz XCCCFHDUQRECQI-UHFFFAOYSA-N 0 1 346.343 2.180 20 5 EEBDMN CCc1ccc(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1[N+](=O)[O-] ZINC000594387211 468569035 /nfs/dbraw/zinc/56/90/35/468569035.db2.gz VHZDTWBXLLUZGR-ZDUSSCGKSA-N 0 1 345.359 2.057 20 5 EEBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC000597869661 468699048 /nfs/dbraw/zinc/69/90/48/468699048.db2.gz MEIAXKYJIMRFEQ-SNVBAGLBSA-N 0 1 338.360 2.493 20 5 EEBDMN O=C(NCC1CC1)[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595289536 468801218 /nfs/dbraw/zinc/80/12/18/468801218.db2.gz DWIZPRGCIIUZRS-CQSZACIVSA-N 0 1 335.379 2.472 20 5 EEBDMN NC(=O)c1ccc(CN2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000593073035 468860739 /nfs/dbraw/zinc/86/07/39/468860739.db2.gz OAXMOBJAIYSPNW-UHFFFAOYSA-N 0 1 325.315 2.315 20 5 EEBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593187949 468898567 /nfs/dbraw/zinc/89/85/67/468898567.db2.gz WKIQPOPTRRMZFG-MGPQQGTHSA-N 0 1 335.404 2.303 20 5 EEBDMN COc1cc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000593189940 468900361 /nfs/dbraw/zinc/90/03/61/468900361.db2.gz CYSWEMCIBHFVNN-MXWKQRLJSA-N 0 1 339.367 2.296 20 5 EEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C)[C@@H]1CCO ZINC000595706954 468963229 /nfs/dbraw/zinc/96/32/29/468963229.db2.gz ZOWFLAHAXGMLBM-CJNGLKHVSA-N 0 1 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EEBDMN O=C(NCc1ccc(N2CCCCCC2)nc1)c1n[nH]cc1[N+](=O)[O-] ZINC000136350341 463236409 /nfs/dbraw/zinc/23/64/09/463236409.db2.gz HBHKKQSGSXAWRU-UHFFFAOYSA-N 0 1 344.375 2.023 20 5 EEBDMN O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1[n-]ncc1[N+](=O)[O-] ZINC000136350341 463236416 /nfs/dbraw/zinc/23/64/16/463236416.db2.gz HBHKKQSGSXAWRU-UHFFFAOYSA-N 0 1 344.375 2.023 20 5 EEBDMN O=C(NCc1cnc[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165807634 463647832 /nfs/dbraw/zinc/64/78/32/463647832.db2.gz QJHINIVDFYBVJZ-UHFFFAOYSA-N 0 1 325.122 2.010 20 5 EEBDMN CC[C@H](C)N(CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000287258270 463850147 /nfs/dbraw/zinc/85/01/47/463850147.db2.gz HDOJQQYVKURSQV-JTQLQIEISA-N 0 1 329.784 2.280 20 5 EEBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CC[C@@H](CO)O3)cs2)c1 ZINC000292490542 464251229 /nfs/dbraw/zinc/25/12/29/464251229.db2.gz BNCZQCJJJXBANC-CABCVRRESA-N 0 1 349.412 2.348 20 5 EEBDMN C[S@](=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000174260831 464385236 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2.400 20 5 EEBDMN CO[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000266726484 464801072 /nfs/dbraw/zinc/80/10/72/464801072.db2.gz KONVZXPZUOKOLM-LLVKDONJSA-N 0 1 334.369 2.073 20 5 EEBDMN CN1CCN(C)[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000267020019 464907303 /nfs/dbraw/zinc/90/73/03/464907303.db2.gz JOZVQLNXMGGTEK-LLVKDONJSA-N 0 1 332.326 2.271 20 5 EEBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCF)cc1[N+](=O)[O-] ZINC000282880994 464987295 /nfs/dbraw/zinc/98/72/95/464987295.db2.gz VRXWCQKGBXMNEI-MNOVXSKESA-N 0 1 327.356 2.118 20 5 EEBDMN O=C(NCc1cccc2c1OCCCO2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356758714 465523209 /nfs/dbraw/zinc/52/32/09/465523209.db2.gz CEROYSIMLQVGKF-UHFFFAOYSA-N 0 1 344.323 2.392 20 5 EEBDMN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N2CCCC2)o1 ZINC000337726421 465542286 /nfs/dbraw/zinc/54/22/86/465542286.db2.gz UDFRRSRAFJVBHP-CQSZACIVSA-N 0 1 332.360 2.391 20 5 EEBDMN C[C@@H]1COCCN1C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593990683 468452783 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EEBDMN O=C(N[C@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1)c1ncn[nH]1 ZINC001063378913 790860350 /nfs/dbraw/zinc/86/03/50/790860350.db2.gz OSWOSQCDMFQKDG-XYPYZODXSA-N 0 1 348.338 2.005 20 5 EEBDMN O=C(N[C@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1)c1nc[nH]n1 ZINC001063378913 790860365 /nfs/dbraw/zinc/86/03/65/790860365.db2.gz OSWOSQCDMFQKDG-XYPYZODXSA-N 0 1 348.338 2.005 20 5 EEBDMN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000819059283 785381088 /nfs/dbraw/zinc/38/10/88/785381088.db2.gz FEEJRPFMQQFQQH-WWGRRREGSA-N 0 1 335.404 2.007 20 5 EEBDMN C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC12CCCCC2 ZINC000908573061 785538194 /nfs/dbraw/zinc/53/81/94/785538194.db2.gz MNFPEMHYSIKDFI-UHFFFAOYSA-N 0 1 333.388 2.391 20 5 EEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000819637241 785628849 /nfs/dbraw/zinc/62/88/49/785628849.db2.gz SCYCIDFXSAOCCS-DGCLKSJQSA-N 0 1 335.429 2.393 20 5 EEBDMN CN(C)[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 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EEBDMN CC[C@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2F)CCN1C[C@@H](C)O ZINC000159898215 206269568 /nfs/dbraw/zinc/26/95/68/206269568.db2.gz NHXGGYUQZFVGFS-NEPJUHHUSA-N 0 1 341.383 2.024 20 5 EEBDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176288458 207211299 /nfs/dbraw/zinc/21/12/99/207211299.db2.gz OSYNDPBXHQRDBT-DAOPMYJZSA-N 0 1 336.417 2.222 20 5 EEBDMN COc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000272837922 256243039 /nfs/dbraw/zinc/24/30/39/256243039.db2.gz NYGCFLOEAOPFGI-CYBMUJFWSA-N 0 1 334.376 2.305 20 5 EEBDMN CCCN(CCCN(C)C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276067751 256399992 /nfs/dbraw/zinc/39/99/92/256399992.db2.gz CWXYVTDIIIHOCV-UHFFFAOYSA-N 0 1 343.449 2.166 20 5 EEBDMN CC[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000117306911 292236612 /nfs/dbraw/zinc/23/66/12/292236612.db2.gz BIMPXFORJKVIFX-WAVCKPEOSA-N 0 1 347.415 2.177 20 5 EEBDMN COc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000262919765 152339075 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EEBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)ccc1[N+](=O)[O-] ZINC000172184130 273990639 /nfs/dbraw/zinc/99/06/39/273990639.db2.gz YWASYPFPRNCRAE-UHFFFAOYSA-N 0 1 347.352 2.199 20 5 EEBDMN COC(=O)C1(CS(=O)(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000290504470 275213314 /nfs/dbraw/zinc/21/33/14/275213314.db2.gz HXRJJPKYBTZILL-UHFFFAOYSA-N 0 1 342.373 2.070 20 5 EEBDMN COCc1nsc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1 ZINC000284103951 293031924 /nfs/dbraw/zinc/03/19/24/293031924.db2.gz GGDHKXNCDZGJRM-UHFFFAOYSA-N 0 1 326.309 2.293 20 5 EEBDMN CCC[C@H](O)[C@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419803062 313931874 /nfs/dbraw/zinc/93/18/74/313931874.db2.gz BPYKCMNNBSSVGZ-HOTGVXAUSA-N 0 1 334.372 2.466 20 5 EEBDMN C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H](c2ccccc2)C1 ZINC000436901717 315011422 /nfs/dbraw/zinc/01/14/22/315011422.db2.gz RRSMCOQZQAQIGR-HOTGVXAUSA-N 0 1 341.367 2.128 20 5 EEBDMN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000495883236 316152848 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EEBDMN COc1ccc(-c2n[nH]c(CNc3c([N+](=O)[O-])c(C)nn3C)n2)cc1 ZINC000371676529 465934130 /nfs/dbraw/zinc/93/41/30/465934130.db2.gz YJBDWCMMZKATDB-UHFFFAOYSA-N 0 1 343.347 2.043 20 5 EEBDMN COc1ccc(-c2nc(CNc3c([N+](=O)[O-])c(C)nn3C)n[nH]2)cc1 ZINC000371676529 465934136 /nfs/dbraw/zinc/93/41/36/465934136.db2.gz YJBDWCMMZKATDB-UHFFFAOYSA-N 0 1 343.347 2.043 20 5 EEBDMN C[C@@H](C[NH+]1CCCCC1)[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362738779 465990549 /nfs/dbraw/zinc/99/05/49/465990549.db2.gz XGXIATYTHQCYTC-LBPRGKRZSA-N 0 1 331.376 2.931 20 5 EEBDMN COc1ccc2c(c1)OCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000338680790 466311278 /nfs/dbraw/zinc/31/12/78/466311278.db2.gz MIJCFNLJJKPRPT-UHFFFAOYSA-N 0 1 344.323 2.344 20 5 EEBDMN CC(C)[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000332034082 466355904 /nfs/dbraw/zinc/35/59/04/466355904.db2.gz WOYFHPOWFRDHMU-HNNXBMFYSA-N 0 1 330.388 2.488 20 5 EEBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C[C@H](O)C1CC1 ZINC000305748365 466446470 /nfs/dbraw/zinc/44/64/70/466446470.db2.gz QJMXCDICYHNIBE-OTYXRUKQSA-N 0 1 341.795 2.278 20 5 EEBDMN O=C1CC[C@@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000569509502 468503612 /nfs/dbraw/zinc/50/36/12/468503612.db2.gz XJUGWFYRGMOLMY-MLGOLLRUSA-N 0 1 345.399 2.276 20 5 EEBDMN Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000424264058 467015304 /nfs/dbraw/zinc/01/53/04/467015304.db2.gz IBVFACUJBALNOY-MEDUHNTESA-N 0 1 349.387 2.417 20 5 EEBDMN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N1CCN(C)CC1 ZINC000413115485 467173090 /nfs/dbraw/zinc/17/30/90/467173090.db2.gz NTHPLVKMLWHXPJ-JTQLQIEISA-N 0 1 347.341 2.056 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1CN(CCO)[C@H]1CCCSC1 ZINC000433209058 467307549 /nfs/dbraw/zinc/30/75/49/467307549.db2.gz PDYFXYHNKGOHHT-AWEZNQCLSA-N 0 1 326.418 2.293 20 5 EEBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cnc(C2CC2)o1 ZINC000452030695 467308883 /nfs/dbraw/zinc/30/88/83/467308883.db2.gz OJUPXEHABRVEJP-UHFFFAOYSA-N 0 1 341.320 2.078 20 5 EEBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](CCCO)C3)n2)cc1 ZINC000452114762 467328739 /nfs/dbraw/zinc/32/87/39/467328739.db2.gz DYAYNIDKKFKDCC-LBPRGKRZSA-N 0 1 332.360 2.239 20 5 EEBDMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429770380 467368182 /nfs/dbraw/zinc/36/81/82/467368182.db2.gz UIBJFEBYIQTXQB-CABCVRRESA-N 0 1 344.371 2.254 20 5 EEBDMN C[C@H](C(=O)NCc1n[nH]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000452423348 467377341 /nfs/dbraw/zinc/37/73/41/467377341.db2.gz YTNCIGMMZCBPAE-QMMMGPOBSA-N 0 1 333.323 2.149 20 5 EEBDMN CCO[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000452918805 467439219 /nfs/dbraw/zinc/43/92/19/467439219.db2.gz NTFXMTNAMBVSNA-YGRLFVJLSA-N 0 1 332.360 2.358 20 5 EEBDMN CN(C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000435836966 467497841 /nfs/dbraw/zinc/49/78/41/467497841.db2.gz RMRAJQWZPAECJM-UHFFFAOYSA-N 0 1 327.359 2.112 20 5 EEBDMN C[C@H](CCCO)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449408477 467640825 /nfs/dbraw/zinc/64/08/25/467640825.db2.gz NZGGTATVLQDMKV-CZUORRHYSA-N 0 1 332.404 2.416 20 5 EEBDMN CC(C)(C)c1nc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000458027740 467755477 /nfs/dbraw/zinc/75/54/77/467755477.db2.gz RMPASEPKEFIPCQ-UHFFFAOYSA-N 0 1 331.376 2.259 20 5 EEBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC/C=C/c2ccncc2)cc1 ZINC000487550667 468044845 /nfs/dbraw/zinc/04/48/45/468044845.db2.gz RNIDRNPTCCFLQC-OWOJBTEDSA-N 0 1 347.396 2.067 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000532881398 468147900 /nfs/dbraw/zinc/14/79/00/468147900.db2.gz WXCCXLPXKJBZSH-CYBMUJFWSA-N 0 1 349.387 2.419 20 5 EEBDMN CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000597572336 468603552 /nfs/dbraw/zinc/60/35/52/468603552.db2.gz QGHZQYIBJQZUBZ-UHFFFAOYSA-N 0 1 343.305 2.391 20 5 EEBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594508672 468612424 /nfs/dbraw/zinc/61/24/24/468612424.db2.gz BUGYMVQIWWFWAO-CQSZACIVSA-N 0 1 347.375 2.253 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCNC(=O)c1ccco1 ZINC000595004541 468742144 /nfs/dbraw/zinc/74/21/44/468742144.db2.gz TYOAXQRLQGGHQQ-NSHDSACASA-N 0 1 333.344 2.277 20 5 EEBDMN CCO[C@H]1C[C@](CO)(NCc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595451100 468857640 /nfs/dbraw/zinc/85/76/40/468857640.db2.gz RFARACAWLHSQNN-GOEBONIOSA-N 0 1 326.368 2.390 20 5 EEBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593291049 468930563 /nfs/dbraw/zinc/93/05/63/468930563.db2.gz WJWRXVYDYAMMCI-ZDUSSCGKSA-N 0 1 346.343 2.474 20 5 EEBDMN C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000562531772 468980649 /nfs/dbraw/zinc/98/06/49/468980649.db2.gz XNFBAYMHYIMPQT-YPMHNXCESA-N 0 1 344.371 2.218 20 5 EEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595743891 468983408 /nfs/dbraw/zinc/98/34/08/468983408.db2.gz SCOIFVIJFOSYAT-BBRMVZONSA-N 0 1 347.415 2.483 20 5 EEBDMN CC(=O)N1CC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602713841 469027177 /nfs/dbraw/zinc/02/71/77/469027177.db2.gz DRGNVWNNRBZKKZ-GFCCVEGCSA-N 0 1 331.294 2.324 20 5 EEBDMN CC(C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000573047647 469045652 /nfs/dbraw/zinc/04/56/52/469045652.db2.gz VOGCQRLPZUCQDL-HNNXBMFYSA-N 0 1 346.387 2.388 20 5 EEBDMN C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1C(=O)[O-] ZINC000593748479 469121906 /nfs/dbraw/zinc/12/19/06/469121906.db2.gz NWYKSKMCXLKNFN-GWCFXTLKSA-N 0 1 346.343 2.187 20 5 EEBDMN Cc1cc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000588822970 469168544 /nfs/dbraw/zinc/16/85/44/469168544.db2.gz HMZAWVXZQPQADC-MRXNPFEDSA-N 0 1 347.415 2.230 20 5 EEBDMN COc1cc(CN(CCO)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000611269397 469214655 /nfs/dbraw/zinc/21/46/55/469214655.db2.gz GUJXNSCKATXFHX-UHFFFAOYSA-N 0 1 326.393 2.452 20 5 EEBDMN C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000596270355 469228702 /nfs/dbraw/zinc/22/87/02/469228702.db2.gz FLURXMLIGGXFIH-CYBMUJFWSA-N 0 1 328.372 2.406 20 5 EEBDMN CC(C)[C@@H]1CNCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000602528659 469351089 /nfs/dbraw/zinc/35/10/89/469351089.db2.gz PAGKCLUJGJQXGV-INIZCTEOSA-N 0 1 332.404 2.239 20 5 EEBDMN O=C1NCCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1F ZINC000612403961 469457256 /nfs/dbraw/zinc/45/72/56/469457256.db2.gz HOMJKNDHOPBJSK-INIZCTEOSA-N 0 1 345.330 2.113 20 5 EEBDMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000609233474 469904683 /nfs/dbraw/zinc/90/46/83/469904683.db2.gz ZBHHKNCYJRSRTG-UHFFFAOYSA-N 0 1 331.263 2.042 20 5 EEBDMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000609233474 469904687 /nfs/dbraw/zinc/90/46/87/469904687.db2.gz ZBHHKNCYJRSRTG-UHFFFAOYSA-N 0 1 331.263 2.042 20 5 EEBDMN COc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000595830107 485610438 /nfs/dbraw/zinc/61/04/38/485610438.db2.gz AAPPFIVGHFRCOU-CQSZACIVSA-N 0 1 333.388 2.048 20 5 EEBDMN Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000164537414 533900315 /nfs/dbraw/zinc/90/03/15/533900315.db2.gz WYSOKTRRDSIURX-GFCCVEGCSA-N 0 1 335.360 2.028 20 5 EEBDMN COc1ccc(-c2ccc(CN3CC(CC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000459621854 536896404 /nfs/dbraw/zinc/89/64/04/536896404.db2.gz MEAMFADTIGCHFT-UHFFFAOYSA-N 0 1 345.355 2.171 20 5 EEBDMN O=[N+]([O-])c1ccc2nc(N3CCN([C@H]4CCC[C@@H]4O)CC3)sc2c1 ZINC000731209925 577086378 /nfs/dbraw/zinc/08/63/78/577086378.db2.gz FECKPYBFHIHZFR-KBPBESRZSA-N 0 1 348.428 2.240 20 5 EEBDMN CC[C@H](C)CN(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732183406 577154000 /nfs/dbraw/zinc/15/40/00/577154000.db2.gz PBVVEWVGFWYLMR-LBPRGKRZSA-N 0 1 334.376 2.299 20 5 EEBDMN CN(Cc1ccc([S@](C)=O)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588806 577463513 /nfs/dbraw/zinc/46/35/13/577463513.db2.gz BXKXWXWMFRUWIR-OSPHWJPCSA-N 0 1 348.424 2.498 20 5 EEBDMN Cc1c([N+](=O)[O-])cc(C(=O)NCCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000762815964 577708509 /nfs/dbraw/zinc/70/85/09/577708509.db2.gz RWAYRPJWBIERBG-UHFFFAOYSA-N 0 1 348.359 2.193 20 5 EEBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC4(C3)CCOCC4)n2)c1 ZINC000743405702 577884922 /nfs/dbraw/zinc/88/49/22/577884922.db2.gz OAAYTFNQNGCWRN-UHFFFAOYSA-N 0 1 343.387 2.313 20 5 EEBDMN CC[N@@H+]1CCO[C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829785965 604265430 /nfs/dbraw/zinc/26/54/30/604265430.db2.gz GMXFVJVLRWGLFD-VIFPVBQESA-N 0 1 343.767 2.079 20 5 EEBDMN CC[N@H+]1CCO[C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829785965 604265431 /nfs/dbraw/zinc/26/54/31/604265431.db2.gz GMXFVJVLRWGLFD-VIFPVBQESA-N 0 1 343.767 2.079 20 5 EEBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CC=CCC3)c2)CC1 ZINC000934046066 677768533 /nfs/dbraw/zinc/76/85/33/677768533.db2.gz XFVZBUTVWCNOFN-UHFFFAOYSA-N 0 1 345.403 2.140 20 5 EEBDMN COc1c(O)ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000894707781 683042776 /nfs/dbraw/zinc/04/27/76/683042776.db2.gz PFJQBTMTGAZXJA-BFHYXJOUSA-N 0 1 336.388 2.434 20 5 EEBDMN O=C(NN1CCCC1=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 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EEBDMN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159757395 311345727 /nfs/dbraw/zinc/34/57/27/311345727.db2.gz HMOFYZLLZXVTNU-TZMCWYRMSA-N 0 1 330.344 2.186 20 5 EEBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000425283631 314372402 /nfs/dbraw/zinc/37/24/02/314372402.db2.gz MIDQDAMIAXUREJ-ZETCQYMHSA-N 0 1 328.254 2.121 20 5 EEBDMN Cc1ccc([C@@H](N)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000430593428 314555427 /nfs/dbraw/zinc/55/54/27/314555427.db2.gz SOHXCTHCLUOTFI-QGZVFWFLSA-N 0 1 325.368 2.488 20 5 EEBDMN CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)c([N+](=O)[O-])n1 ZINC000435719360 314919786 /nfs/dbraw/zinc/91/97/86/314919786.db2.gz LQUVBWKVAQGXEI-UHFFFAOYSA-N 0 1 348.743 2.405 20 5 EEBDMN COc1ccc([N+](=O)[O-])cc1CN(CCO)[C@@H]1CCCSC1 ZINC000439006780 315063217 /nfs/dbraw/zinc/06/32/17/315063217.db2.gz HGZQWYFLOOERKS-CQSZACIVSA-N 0 1 326.418 2.293 20 5 EEBDMN C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445173303 315349943 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2.104 20 5 EEBDMN Cc1ccc(N2CCC[C@@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])C2)cc1 ZINC000121239560 463103522 /nfs/dbraw/zinc/10/35/22/463103522.db2.gz NMPGPMNLRKCFQR-GFCCVEGCSA-N 0 1 329.360 2.025 20 5 EEBDMN Cc1c(Br)cc(C(=O)N2CC(N(C)C)C2)cc1[N+](=O)[O-] ZINC000134984457 463103621 /nfs/dbraw/zinc/10/36/21/463103621.db2.gz RZPKRDNLWVPTER-UHFFFAOYSA-N 0 1 342.193 2.052 20 5 EEBDMN CCCCN(CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078665034 463138349 /nfs/dbraw/zinc/13/83/49/463138349.db2.gz DMVHIFZIKCZYRL-UHFFFAOYSA-N 0 1 329.784 2.281 20 5 EEBDMN CCCCN(C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000122645347 463281925 /nfs/dbraw/zinc/28/19/25/463281925.db2.gz AGIVVOBHNJPURX-UHFFFAOYSA-N 0 1 329.422 2.142 20 5 EEBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000030377389 463297481 /nfs/dbraw/zinc/29/74/81/463297481.db2.gz XCAPTUCKNQPHGL-SFHVURJKSA-N 0 1 327.384 2.450 20 5 EEBDMN CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000030530099 463302729 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COC(=O)CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000072633245 463526792 /nfs/dbraw/zinc/52/67/92/463526792.db2.gz NTUHDLJJTQTDPZ-UHFFFAOYSA-N 0 1 337.376 2.115 20 5 EEBDMN CNC(=O)OC[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000287126535 463807950 /nfs/dbraw/zinc/80/79/50/463807950.db2.gz ZMVWAMZBNFOEKI-CYBMUJFWSA-N 0 1 337.376 2.184 20 5 EEBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261718979 463838020 /nfs/dbraw/zinc/83/80/20/463838020.db2.gz CGAIQQKFEVPKBH-ZDUSSCGKSA-N 0 1 334.763 2.363 20 5 EEBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCCc2cn[nH]c21 ZINC000269025858 463850735 /nfs/dbraw/zinc/85/07/35/463850735.db2.gz VWQBCMGYIQBATC-GFCCVEGCSA-N 0 1 330.344 2.281 20 5 EEBDMN CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC000178150970 463853028 /nfs/dbraw/zinc/85/30/28/463853028.db2.gz YOBKJYXBYGGTPM-OAHLLOKOSA-N 0 1 346.362 2.349 20 5 EEBDMN CN1CCC[C@@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000194712205 463914560 /nfs/dbraw/zinc/91/45/60/463914560.db2.gz LUOVEDIESLFANB-OAHLLOKOSA-N 0 1 349.434 2.365 20 5 EEBDMN CCCCNC(=O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269680395 464056123 /nfs/dbraw/zinc/05/61/23/464056123.db2.gz XYOYQBNQLLMUTJ-KRWDZBQOSA-N 0 1 349.431 2.257 20 5 EEBDMN CCOc1cccc(NC2CC([N@@H+](CC)CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263545346 464126126 /nfs/dbraw/zinc/12/61/26/464126126.db2.gz GNIABOVKEGLHDC-UHFFFAOYSA-N 0 1 337.376 2.343 20 5 EEBDMN Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270043508 464169227 /nfs/dbraw/zinc/16/92/27/464169227.db2.gz DNUNCMLRGLSIJH-ZENOOKHLSA-N 0 1 335.404 2.323 20 5 EEBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[C@@H]1O ZINC000270154307 464201699 /nfs/dbraw/zinc/20/16/99/464201699.db2.gz ROMBIGUKZKGLRW-JSGCOSHPSA-N 0 1 332.360 2.238 20 5 EEBDMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175392233 464539463 /nfs/dbraw/zinc/53/94/63/464539463.db2.gz AYTXQAKXIRSBPL-ZDUSSCGKSA-N 0 1 341.433 2.008 20 5 EEBDMN Cc1ccc([C@H]2COCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000272581574 464668468 /nfs/dbraw/zinc/66/84/68/464668468.db2.gz UJRLKEQRRKAWNK-CQSZACIVSA-N 0 1 332.312 2.416 20 5 EEBDMN C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000295255221 464763443 /nfs/dbraw/zinc/76/34/43/464763443.db2.gz KJPMFBFHTVKROS-ZCFIWIBFSA-N 0 1 329.238 2.223 20 5 EEBDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000268238809 464987418 /nfs/dbraw/zinc/98/74/18/464987418.db2.gz OKPOBBSVYUZVHD-QMTHXVAHSA-N 0 1 328.372 2.289 20 5 EEBDMN CC(=O)c1cc(N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000286667814 464999373 /nfs/dbraw/zinc/99/93/73/464999373.db2.gz MKEODNCIIVYXPJ-GFCCVEGCSA-N 0 1 335.404 2.079 20 5 EEBDMN COC(=O)COc1ccc(CN[C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000339581202 465362837 /nfs/dbraw/zinc/36/28/37/465362837.db2.gz AHJJEBNNSIDIGG-NEPJUHHUSA-N 0 1 326.324 2.127 20 5 EEBDMN COc1ccc(NC(=O)CCN2CCO[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298363017 465374470 /nfs/dbraw/zinc/37/44/70/465374470.db2.gz GBNMOHOHJTVAGL-RYUDHWBXSA-N 0 1 337.376 2.041 20 5 EEBDMN CCc1nc([C@H](C)NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n[nH]1 ZINC000342989489 465435528 /nfs/dbraw/zinc/43/55/28/465435528.db2.gz SSTGLDFARVZJPW-VIFPVBQESA-N 0 1 342.359 2.177 20 5 EEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCCO)Cc1ccccc1 ZINC000356808062 465551448 /nfs/dbraw/zinc/55/14/48/465551448.db2.gz XEFFIQRAFUEJBO-UHFFFAOYSA-N 0 1 330.340 2.325 20 5 EEBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356884033 465599729 /nfs/dbraw/zinc/59/97/29/465599729.db2.gz QVFCXNIEBPTRRB-NWDGAFQWSA-N 0 1 330.388 2.170 20 5 EEBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1cnc[nH]1 ZINC000339955595 465634903 /nfs/dbraw/zinc/63/49/03/465634903.db2.gz QRRKEOFUBREODB-UHFFFAOYSA-N 0 1 339.149 2.319 20 5 EEBDMN Cc1[nH]nc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000299587284 465814089 /nfs/dbraw/zinc/81/40/89/465814089.db2.gz PXJUOPFTKUUXAS-UHFFFAOYSA-N 0 1 342.359 2.207 20 5 EEBDMN Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)COCC3)cc1[N+](=O)[O-] ZINC000371489640 465831366 /nfs/dbraw/zinc/83/13/66/465831366.db2.gz RBWJZVWFWLGFPO-UHFFFAOYSA-N 0 1 349.368 2.172 20 5 EEBDMN CC(C)[C@H]1CN(C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330960584 465874485 /nfs/dbraw/zinc/87/44/85/465874485.db2.gz FOUTUMYHYISWCS-OAHLLOKOSA-N 0 1 345.403 2.417 20 5 EEBDMN Cc1c(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331064183 465918544 /nfs/dbraw/zinc/91/85/44/465918544.db2.gz WOQBDEUZQSLSNP-ZFWWWQNUSA-N 0 1 326.418 2.349 20 5 EEBDMN Cc1c(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000331064181 465918928 /nfs/dbraw/zinc/91/89/28/465918928.db2.gz WOQBDEUZQSLSNP-HIFRSBDPSA-N 0 1 326.418 2.349 20 5 EEBDMN COc1cc(CNc2ccc(C(N)=O)c(F)c2)cc([N+](=O)[O-])c1O ZINC000340560418 466172600 /nfs/dbraw/zinc/17/26/00/466172600.db2.gz VETWONPMJMAMEU-UHFFFAOYSA-N 0 1 335.291 2.159 20 5 EEBDMN COCCC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000600179824 468487147 /nfs/dbraw/zinc/48/71/47/468487147.db2.gz YUOIXHNLCBISMI-UHFFFAOYSA-N 0 1 332.360 2.360 20 5 EEBDMN NC(=O)C[C@H]1CCCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332249905 466471182 /nfs/dbraw/zinc/47/11/82/466471182.db2.gz LOGMTGOBHYWOSZ-CYBMUJFWSA-N 0 1 346.387 2.264 20 5 EEBDMN Cc1n[nH]c([C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000412038946 466976179 /nfs/dbraw/zinc/97/61/79/466976179.db2.gz JTFBNJFCAUBVAU-SNVBAGLBSA-N 0 1 328.332 2.152 20 5 EEBDMN CCc1[nH]nc(C(=O)N2CC3(CCOCC3)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000413978346 467355190 /nfs/dbraw/zinc/35/51/90/467355190.db2.gz PPPQBDRYHNELMI-CQSZACIVSA-N 0 1 336.392 2.158 20 5 EEBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2n[nH]c(C(C)C)n2)c1 ZINC000452419076 467375427 /nfs/dbraw/zinc/37/54/27/467375427.db2.gz OYAOUULEUZVIKP-UHFFFAOYSA-N 0 1 335.389 2.488 20 5 EEBDMN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)CN1C ZINC000408074929 467504629 /nfs/dbraw/zinc/50/46/29/467504629.db2.gz XXGOAXYLXQOAQJ-GHMZBOCLSA-N 0 1 344.371 2.013 20 5 EEBDMN C[S@](=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442327545 467574128 /nfs/dbraw/zinc/57/41/28/467574128.db2.gz FEASWIZGRDKLCH-NRFANRHFSA-N 0 1 340.382 2.133 20 5 EEBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493800180 467985723 /nfs/dbraw/zinc/98/57/23/467985723.db2.gz YYRJRVLYDUMXLP-OCCSQVGLSA-N 0 1 338.314 2.226 20 5 EEBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000479569412 468003159 /nfs/dbraw/zinc/00/31/59/468003159.db2.gz YYBCWUBQTVDPIA-JGVFFNPUSA-N 0 1 339.739 2.011 20 5 EEBDMN CC(C)[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000489326168 468127772 /nfs/dbraw/zinc/12/77/72/468127772.db2.gz QXVAUSBHPXJLKC-KRWDZBQOSA-N 0 1 344.415 2.417 20 5 EEBDMN CC[C@@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC000582490706 468549311 /nfs/dbraw/zinc/54/93/11/468549311.db2.gz CQBIFVKWWPKXJX-GFCCVEGCSA-N 0 1 337.376 2.124 20 5 EEBDMN CC[C@@H]1C[N@@H+](CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC000582490706 468549314 /nfs/dbraw/zinc/54/93/14/468549314.db2.gz CQBIFVKWWPKXJX-GFCCVEGCSA-N 0 1 337.376 2.124 20 5 EEBDMN CS(=O)(=O)C1(CNCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000594974874 468736251 /nfs/dbraw/zinc/73/62/51/468736251.db2.gz LFUOHENFFUWXFW-UHFFFAOYSA-N 0 1 326.418 2.432 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCS(=O)(=O)C1 ZINC000595046577 468748421 /nfs/dbraw/zinc/74/84/21/468748421.db2.gz AVFXHQGGGHMHMW-NWDGAFQWSA-N 0 1 342.417 2.079 20 5 EEBDMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595279899 468799648 /nfs/dbraw/zinc/79/96/48/468799648.db2.gz BYTDKTCVNHXPLS-DZGCQCFKSA-N 0 1 336.392 2.147 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1CN(C)C ZINC000595346236 468819408 /nfs/dbraw/zinc/81/94/08/468819408.db2.gz SZCZTTUGPKNMPV-AWEZNQCLSA-N 0 1 341.433 2.008 20 5 EEBDMN CO[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000595366026 468826926 /nfs/dbraw/zinc/82/69/26/468826926.db2.gz REZPHPZNJMATKQ-CYBMUJFWSA-N 0 1 346.380 2.217 20 5 EEBDMN CCO[C@@H]1C[C@](CO)(NCc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595451099 468857501 /nfs/dbraw/zinc/85/75/01/468857501.db2.gz RFARACAWLHSQNN-GDBMZVCRSA-N 0 1 326.368 2.390 20 5 EEBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(F)cc1F ZINC000584405750 468863775 /nfs/dbraw/zinc/86/37/75/468863775.db2.gz YQLOJZNDWSYLKB-ZDUSSCGKSA-N 0 1 338.310 2.403 20 5 EEBDMN O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598508367 468893641 /nfs/dbraw/zinc/89/36/41/468893641.db2.gz HCBCKFFCODBRQL-OAHLLOKOSA-N 0 1 341.367 2.305 20 5 EEBDMN O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598508367 468893644 /nfs/dbraw/zinc/89/36/44/468893644.db2.gz HCBCKFFCODBRQL-OAHLLOKOSA-N 0 1 341.367 2.305 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C)[C@H]1CCO ZINC000595695889 468958919 /nfs/dbraw/zinc/95/89/19/468958919.db2.gz IYIUCQOSSXQCQS-BLLLJJGKSA-N 0 1 335.404 2.325 20 5 EEBDMN C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595699920 468960127 /nfs/dbraw/zinc/96/01/27/468960127.db2.gz PLKLALRKCSSVHV-CJNGLKHVSA-N 0 1 335.404 2.041 20 5 EEBDMN C[C@@H](C[S@@](C)=O)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602611052 468965779 /nfs/dbraw/zinc/96/57/79/468965779.db2.gz UPPGOFZXKBUKFP-QVHKOIDPSA-N 0 1 341.252 2.275 20 5 EEBDMN C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000562531770 468981089 /nfs/dbraw/zinc/98/10/89/468981089.db2.gz XNFBAYMHYIMPQT-DGCLKSJQSA-N 0 1 344.371 2.218 20 5 EEBDMN COc1ccc([N+](=O)[O-])cc1CNCCC(=O)Nc1cccnc1 ZINC000572834464 469004461 /nfs/dbraw/zinc/00/44/61/469004461.db2.gz LKLHDEKGHANMFR-UHFFFAOYSA-N 0 1 330.344 2.117 20 5 EEBDMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610576935 469007731 /nfs/dbraw/zinc/00/77/31/469007731.db2.gz JBOJNHVHEBFSOI-CYBMUJFWSA-N 0 1 341.433 2.056 20 5 EEBDMN CCOc1cc(CN2CC[C@@H](CN3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000595827498 469029319 /nfs/dbraw/zinc/02/93/19/469029319.db2.gz CRLOUMATIVQSKD-OAHLLOKOSA-N 0 1 347.415 2.438 20 5 EEBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCN1CCCCC1 ZINC000593665205 469083653 /nfs/dbraw/zinc/08/36/53/469083653.db2.gz CQYWNNHBROFNLL-UHFFFAOYSA-N 0 1 341.433 2.010 20 5 EEBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1[nH]cnc1C(=O)OC ZINC000573622114 469173218 /nfs/dbraw/zinc/17/32/18/469173218.db2.gz XTWGQJUEOLXUIM-NSHDSACASA-N 0 1 346.343 2.312 20 5 EEBDMN CCC1(O)CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611314182 469225993 /nfs/dbraw/zinc/22/59/93/469225993.db2.gz WJGATRTWHKDRSY-UHFFFAOYSA-N 0 1 346.380 2.096 20 5 EEBDMN O=C(NC[C@@H]1OCCc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556628 469278491 /nfs/dbraw/zinc/27/84/91/469278491.db2.gz XDYOWTDJCHUQKI-INIZCTEOSA-N 0 1 328.324 2.344 20 5 EEBDMN CC(C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)N1CCOCC1 ZINC000602508517 469343638 /nfs/dbraw/zinc/34/36/38/469343638.db2.gz UIGRTEAGWIYRCT-OAHLLOKOSA-N 0 1 348.403 2.182 20 5 EEBDMN COC(=O)[C@@H](O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182917268 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CC[C@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000741032339 577020040 /nfs/dbraw/zinc/02/00/40/577020040.db2.gz IUCUUMKEYPREAH-CYBMUJFWSA-N 0 1 337.376 2.197 20 5 EEBDMN COC(=O)C[C@@]1(NCc2ccc(Cl)c([N+](=O)[O-])c2)CCCOC1 ZINC000770674324 577601398 /nfs/dbraw/zinc/60/13/98/577601398.db2.gz BTYHOOVCTUEWKB-HNNXBMFYSA-N 0 1 342.779 2.450 20 5 EEBDMN CN(C)c1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccn1 ZINC000754065990 577799584 /nfs/dbraw/zinc/79/95/84/577799584.db2.gz KEXSJIVCFKELTM-CQSZACIVSA-N 0 1 342.403 2.137 20 5 EEBDMN Cn1cc(C[C@H]2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000747461260 577944755 /nfs/dbraw/zinc/94/47/55/577944755.db2.gz PANVJUAIOLAECE-CYBMUJFWSA-N 0 1 340.387 2.200 20 5 EEBDMN Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025762177 683263499 /nfs/dbraw/zinc/26/34/99/683263499.db2.gz CNANGCSALLXWAM-QLPKVWCKSA-N 0 1 340.383 2.092 20 5 EEBDMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1CC2(CC2)C1 ZINC001026027999 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Cc1noc(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000269668788 464052241 /nfs/dbraw/zinc/05/22/41/464052241.db2.gz TWRVGHJNQQCCNI-OAHLLOKOSA-N 0 1 332.360 2.199 20 5 EEBDMN CCC[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC ZINC000279493515 464113208 /nfs/dbraw/zinc/11/32/08/464113208.db2.gz NJEFCIGZWPFOTE-JTQLQIEISA-N 0 1 348.359 2.180 20 5 EEBDMN Cc1ccc([N+](=O)[O-])c(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)n1 ZINC000263554694 464128830 /nfs/dbraw/zinc/12/88/30/464128830.db2.gz NNNTYPSQRFVTRL-UHFFFAOYSA-N 0 1 334.376 2.038 20 5 EEBDMN C[C@@](NCCCOc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000263784111 464189708 /nfs/dbraw/zinc/18/97/08/464189708.db2.gz ZMDCITKPZJIFPF-SFHVURJKSA-N 0 1 343.383 2.354 20 5 EEBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292374488 464212387 /nfs/dbraw/zinc/21/23/87/464212387.db2.gz RFDJEERGVVSEOE-INIZCTEOSA-N 0 1 335.429 2.485 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](C)[C@H]1C ZINC000298644167 465458646 /nfs/dbraw/zinc/45/86/46/465458646.db2.gz PWQSHGJYJUPPHE-VXGBXAGGSA-N 0 1 337.376 2.041 20 5 EEBDMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281145695 464350311 /nfs/dbraw/zinc/35/03/11/464350311.db2.gz KGKNBAHNMJTOHP-ZDUSSCGKSA-N 0 1 341.433 2.008 20 5 EEBDMN C[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1nnc[nH]1 ZINC000180647915 464359273 /nfs/dbraw/zinc/35/92/73/464359273.db2.gz WRWHVJDBSBGKLQ-ZCFIWIBFSA-N 0 1 342.262 2.197 20 5 EEBDMN COc1cc(C(=O)N2CCN(CC3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000189040993 464420249 /nfs/dbraw/zinc/42/02/49/464420249.db2.gz CNTAYMGHPNKTGU-UHFFFAOYSA-N 0 1 333.388 2.080 20 5 EEBDMN COc1ccc(CN2CCN(CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000174895009 464464775 /nfs/dbraw/zinc/46/47/75/464464775.db2.gz MFTGNOZCMPESCO-UHFFFAOYSA-N 0 1 337.420 2.146 20 5 EEBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000181330109 464473416 /nfs/dbraw/zinc/47/34/16/464473416.db2.gz FKOMZXONVWUVLC-AWEZNQCLSA-N 0 1 336.392 2.407 20 5 EEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c1[N+](=O)[O-] ZINC000272232628 464529058 /nfs/dbraw/zinc/52/90/58/464529058.db2.gz VYAMNJFAQMCRJN-GHMZBOCLSA-N 0 1 334.376 2.415 20 5 EEBDMN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)O1 ZINC000282143045 464713415 /nfs/dbraw/zinc/71/34/15/464713415.db2.gz IDQZFEQFDWDSSK-YGOYTEALSA-N 0 1 331.332 2.132 20 5 EEBDMN CCCc1[nH]nc(C(=O)N2CCC([C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000191100940 464777689 /nfs/dbraw/zinc/77/76/89/464777689.db2.gz NORMIKNXGCTBNH-CYBMUJFWSA-N 0 1 336.392 2.302 20 5 EEBDMN CCCN(CC(=O)OC(C)(C)C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000183212456 464823719 /nfs/dbraw/zinc/82/37/19/464823719.db2.gz WUWOXHJACJUAOM-UHFFFAOYSA-N 0 1 340.380 2.074 20 5 EEBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[C@H]1O ZINC000295601270 464898625 /nfs/dbraw/zinc/89/86/25/464898625.db2.gz NDZGDWNIOIPZPU-OAHLLOKOSA-N 0 1 344.371 2.218 20 5 EEBDMN CCN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000286430978 464915570 /nfs/dbraw/zinc/91/55/70/464915570.db2.gz IUCXQAYHBJNVBD-GFCCVEGCSA-N 0 1 331.376 2.171 20 5 EEBDMN CC(C)CCOCCNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295849608 464986259 /nfs/dbraw/zinc/98/62/59/464986259.db2.gz BWIPMOOPJHGVGN-AWEZNQCLSA-N 0 1 337.420 2.424 20 5 EEBDMN C[N@H+](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCSC1 ZINC000351766384 465348068 /nfs/dbraw/zinc/34/80/68/465348068.db2.gz CKOPHHCPZSGXNR-VIFPVBQESA-N 0 1 345.808 2.330 20 5 EEBDMN C[N@@H+](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCSC1 ZINC000351766384 465348073 /nfs/dbraw/zinc/34/80/73/465348073.db2.gz CKOPHHCPZSGXNR-VIFPVBQESA-N 0 1 345.808 2.330 20 5 EEBDMN Cc1c([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1C ZINC000348012820 465369201 /nfs/dbraw/zinc/36/92/01/465369201.db2.gz UZGZAIBHRBTJAA-NSHDSACASA-N 0 1 331.376 2.234 20 5 EEBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2[nH]nnc2c1 ZINC000337878800 465648992 /nfs/dbraw/zinc/64/89/92/465648992.db2.gz QBVMSCLFRJUDOJ-UHFFFAOYSA-N 0 1 336.311 2.460 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@@H]1C1CC1 ZINC000299728042 465873137 /nfs/dbraw/zinc/87/31/37/465873137.db2.gz VPWVCXBDIPXATA-OAHLLOKOSA-N 0 1 349.387 2.043 20 5 EEBDMN CC1(C)CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 ZINC000301151225 465909890 /nfs/dbraw/zinc/90/98/90/465909890.db2.gz AIVATGQNVOZVBH-UHFFFAOYSA-N 0 1 342.403 2.068 20 5 EEBDMN Cc1cc(N(C)Cc2nnc[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301565927 465987042 /nfs/dbraw/zinc/98/70/42/465987042.db2.gz LZJOZTYJOJVFJK-UHFFFAOYSA-N 0 1 325.332 2.115 20 5 EEBDMN Cc1nn(C)c(C)c1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357401323 466005656 /nfs/dbraw/zinc/00/56/56/466005656.db2.gz JUMVIEJAHPZGOO-JTQLQIEISA-N 0 1 331.376 2.234 20 5 EEBDMN CCN(CC)C(=O)CN1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000363018584 466178671 /nfs/dbraw/zinc/17/86/71/466178671.db2.gz YXFZVKJVVCSVIL-UHFFFAOYSA-N 0 1 348.447 2.284 20 5 EEBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372156314 466193239 /nfs/dbraw/zinc/19/32/39/466193239.db2.gz NWSREJFDMLNXSJ-MGPQQGTHSA-N 0 1 333.388 2.280 20 5 EEBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccon1 ZINC000340834500 466372503 /nfs/dbraw/zinc/37/25/03/466372503.db2.gz WVSUJJHMSCWOLR-ZETCQYMHSA-N 0 1 331.737 2.276 20 5 EEBDMN C[C@@H]1N(CC(=O)Nc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000363794129 466620749 /nfs/dbraw/zinc/62/07/49/466620749.db2.gz KNKYGQNDRZLSPZ-ZDUSSCGKSA-N 0 1 333.388 2.424 20 5 EEBDMN O=C([O-])C[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000324964274 466651365 /nfs/dbraw/zinc/65/13/65/466651365.db2.gz LIYFFSSEMGVKOS-UHFFFAOYSA-N 0 1 347.293 2.210 20 5 EEBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCN1 ZINC000415433565 466677669 /nfs/dbraw/zinc/67/76/69/466677669.db2.gz GTLPWPRURANCTD-MRVPVSSYSA-N 0 1 332.282 2.439 20 5 EEBDMN CC[C@@H]1CCCCN1C(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365863807 466967842 /nfs/dbraw/zinc/96/78/42/466967842.db2.gz REDKXHDTUGLGJM-CQSZACIVSA-N 0 1 349.435 2.219 20 5 EEBDMN Cc1cc(OCC(=O)N2CCN(C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000432390182 467237029 /nfs/dbraw/zinc/23/70/29/467237029.db2.gz YLDQEPSMEKUJFC-MRXNPFEDSA-N 0 1 335.404 2.081 20 5 EEBDMN Cc1cc(NCCN2c3ccccc3NS2(=O)=O)ccc1[N+](=O)[O-] ZINC000430536968 467436322 /nfs/dbraw/zinc/43/63/22/467436322.db2.gz YNKDBRGZRNWMEJ-UHFFFAOYSA-N 0 1 348.384 2.492 20 5 EEBDMN Cc1c(CC(=O)Nc2ccn(-c3ccncc3)n2)cccc1[N+](=O)[O-] ZINC000438826170 467565888 /nfs/dbraw/zinc/56/58/88/467565888.db2.gz YYOPUBNFUMINAQ-UHFFFAOYSA-N 0 1 337.339 2.665 20 5 EEBDMN C[C@H](NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nnc[nH]1 ZINC000444121623 467582153 /nfs/dbraw/zinc/58/21/53/467582153.db2.gz LNQHEROBFKKNON-JTQLQIEISA-N 0 1 333.351 2.290 20 5 EEBDMN C[C@@H](CCCO)CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449408475 467641476 /nfs/dbraw/zinc/64/14/76/467641476.db2.gz NZGGTATVLQDMKV-BBRMVZONSA-N 0 1 332.404 2.416 20 5 EEBDMN C[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000514707070 467949297 /nfs/dbraw/zinc/94/92/97/467949297.db2.gz WNPXESNQMOELPG-HZMBPMFUSA-N 0 1 326.418 2.340 20 5 EEBDMN Cc1cc(N2CCN3C(=O)OCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000495122405 468082364 /nfs/dbraw/zinc/08/23/64/468082364.db2.gz KIBRLXABUVTEMH-ZDUSSCGKSA-N 0 1 342.355 2.482 20 5 EEBDMN C[C@H](C(=O)Nc1ccn(-c2ccncc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000576534472 468167138 /nfs/dbraw/zinc/16/71/38/468167138.db2.gz QQUMVVSOWJAEJK-LBPRGKRZSA-N 0 1 337.339 2.918 20 5 EEBDMN C[C@H]1COCC[N@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000519549352 468170768 /nfs/dbraw/zinc/17/07/68/468170768.db2.gz KXMYKOUKLZDYDY-ZDUSSCGKSA-N 0 1 337.395 2.419 20 5 EEBDMN CC(C)c1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000591742256 468512991 /nfs/dbraw/zinc/51/29/91/468512991.db2.gz MRWTXQHKJXRNPM-LBPRGKRZSA-N 0 1 335.360 2.236 20 5 EEBDMN CCc1ccc([C@@H](NC[C@@H]2COCCN2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600711868 468628726 /nfs/dbraw/zinc/62/87/26/468628726.db2.gz TUZLSZCITYOCTC-KDOFPFPSSA-N 0 1 345.399 2.418 20 5 EEBDMN CCOc1cc(-c2nc([C@@H]3CCCN3)no2)c([N+](=O)[O-])cc1OC ZINC000592356956 468682433 /nfs/dbraw/zinc/68/24/33/468682433.db2.gz NEUMCOMMALTBGG-JTQLQIEISA-N 0 1 334.332 2.477 20 5 EEBDMN Cc1cccc(CN2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)c1 ZINC000601240987 468794736 /nfs/dbraw/zinc/79/47/36/468794736.db2.gz UAHYRFZIFORQAX-CQSZACIVSA-N 0 1 328.372 2.236 20 5 EEBDMN CC[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593058799 468855947 /nfs/dbraw/zinc/85/59/47/468855947.db2.gz OTYUGGPJHRUSHZ-NUEKZKHPSA-N 0 1 338.404 2.224 20 5 EEBDMN Cc1noc(CN(C)[C@@H](c2nnc[nH]2)c2ccccc2)c1[N+](=O)[O-] ZINC000595523490 468887753 /nfs/dbraw/zinc/88/77/53/468887753.db2.gz KPYKRYVEKOQXAL-CQSZACIVSA-N 0 1 328.332 2.231 20 5 EEBDMN O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598508694 468893328 /nfs/dbraw/zinc/89/33/28/468893328.db2.gz HKPSURBCOBLORS-HNNXBMFYSA-N 0 1 341.367 2.305 20 5 EEBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000593291048 468929964 /nfs/dbraw/zinc/92/99/64/468929964.db2.gz WJWRXVYDYAMMCI-CYBMUJFWSA-N 0 1 346.343 2.474 20 5 EEBDMN CC(C)c1ccc2c(c1)CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595657028 468942742 /nfs/dbraw/zinc/94/27/42/468942742.db2.gz HOTYEAYUKZGOAY-GOSISDBHSA-N 0 1 344.415 2.334 20 5 EEBDMN CC[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000572645762 468964033 /nfs/dbraw/zinc/96/40/33/468964033.db2.gz FYPYNHXBHJUZDJ-VIFPVBQESA-N 0 1 327.768 2.025 20 5 EEBDMN Cn1ccnc1[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000602678164 469006922 /nfs/dbraw/zinc/00/69/22/469006922.db2.gz CYATYVJCTGODFO-HNNXBMFYSA-N 0 1 332.404 2.220 20 5 EEBDMN CC(C)c1nc(CNCCn2cc([N+](=O)[O-])cn2)c2ccccn21 ZINC000593605508 469055913 /nfs/dbraw/zinc/05/59/13/469055913.db2.gz HVBFZWDECXSEMQ-UHFFFAOYSA-N 0 1 328.376 2.352 20 5 EEBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000595882407 469062493 /nfs/dbraw/zinc/06/24/93/469062493.db2.gz IXBWHBMSBMUNQA-UHFFFAOYSA-N 0 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C[NH+](C)C1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC1 ZINC001609265773 1351915208 /nfs/dbraw/zinc/91/52/08/1351915208.db2.gz FJVZMDDJTCOKGH-UHFFFAOYSA-N 0 1 331.380 2.061 20 5 EEBDMN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC001609811126 1352090891 /nfs/dbraw/zinc/09/08/91/1352090891.db2.gz KGSZNZHEOYXCFC-INIZCTEOSA-N 0 1 336.344 2.148 20 5 EEBDMN C[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCS1 ZINC001609858698 1352104342 /nfs/dbraw/zinc/10/43/42/1352104342.db2.gz MYUJVIQRDUWSCA-NSHDSACASA-N 0 1 340.401 2.386 20 5 EEBDMN COc1ccc(NC(=O)NCc2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC001345082595 1337424212 /nfs/dbraw/zinc/42/42/12/1337424212.db2.gz ARLMQTMTJUFXHG-UHFFFAOYSA-N 0 1 334.336 2.167 20 5 EEBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccsn3)c2)CC1 ZINC001355081511 1338692051 /nfs/dbraw/zinc/69/20/51/1338692051.db2.gz QBORYXUERUKKCF-UHFFFAOYSA-N 0 1 347.400 2.055 20 5 EEBDMN O=[N+]([O-])c1c(NCCCCC[NH+]2CCCC2)cccc1-c1nnn[n-]1 ZINC001593465083 1349802651 /nfs/dbraw/zinc/80/26/51/1349802651.db2.gz IATQNTXZHUOOCD-UHFFFAOYSA-N 0 1 345.407 2.453 20 5 EEBDMN O=[N+]([O-])c1c(NCCCCC[NH+]2CCCC2)cccc1-c1nn[n-]n1 ZINC001593465083 1349802656 /nfs/dbraw/zinc/80/26/56/1349802656.db2.gz IATQNTXZHUOOCD-UHFFFAOYSA-N 0 1 345.407 2.453 20 5 EEBDMN C[C@@H](COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CN1CCOCC1 ZINC001123222664 1372110885 /nfs/dbraw/zinc/11/08/85/1372110885.db2.gz WZUKZDQYARNWJY-LLVKDONJSA-N 0 1 342.779 2.373 20 5 EEBDMN CCCCCCC(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001756360872 1408371389 /nfs/dbraw/zinc/37/13/89/1408371389.db2.gz VMZPROCHYOAGCJ-HUUCEWRRSA-N 0 1 339.436 2.071 20 5 EEBDMN CCCn1cc(C(=O)NCCNCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC001135719627 784296617 /nfs/dbraw/zinc/29/66/17/784296617.db2.gz LVWRWUVUNHQJJD-UHFFFAOYSA-N 0 1 345.403 2.029 20 5 EEBDMN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000819061934 785381994 /nfs/dbraw/zinc/38/19/94/785381994.db2.gz YGEHGIYJWYXMRI-HEHGZKQESA-N 0 1 335.404 2.007 20 5 EEBDMN Nn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1-c1ccco1 ZINC000821053446 786578446 /nfs/dbraw/zinc/57/84/46/786578446.db2.gz YVCWLAGLNLKIFR-UHFFFAOYSA-N 0 1 333.329 2.158 20 5 EEBDMN Cc1cc(NCCCN(C)C(=O)Cc2c[nH]cn2)ccc1[N+](=O)[O-] ZINC001109633590 805780947 /nfs/dbraw/zinc/78/09/47/805780947.db2.gz JQONEZYWYJXZIP-UHFFFAOYSA-N 0 1 331.376 2.129 20 5 EEBDMN CCCN1CCN(c2ccc(CC(=O)OCC)cc2[N+](=O)[O-])CC1 ZINC000825517849 788663381 /nfs/dbraw/zinc/66/33/81/788663381.db2.gz AMHZYLHRWBSZGM-UHFFFAOYSA-N 0 1 335.404 2.232 20 5 EEBDMN CC(C)(C)N1CC[C@H]1COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000845730443 789927206 /nfs/dbraw/zinc/92/72/06/789927206.db2.gz IEWOLLHQTNORKQ-NSHDSACASA-N 0 1 336.344 2.353 20 5 EEBDMN COC(=O)CCN(Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000174443364 792114417 /nfs/dbraw/zinc/11/44/17/792114417.db2.gz AZCLZSHKQQBUMG-UHFFFAOYSA-N 0 1 340.351 2.278 20 5 EEBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC001148518800 792468640 /nfs/dbraw/zinc/46/86/40/792468640.db2.gz 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CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297263262 294196325 /nfs/dbraw/zinc/19/63/25/294196325.db2.gz CTCFXNSNJQRKLE-UHFFFAOYSA-N 0 1 330.348 2.474 20 5 EEBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000297315410 294209681 /nfs/dbraw/zinc/20/96/81/294209681.db2.gz VTRIDUQEJPDUIT-LBPRGKRZSA-N 0 1 332.360 2.247 20 5 EEBDMN CCn1ccc(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000414213969 312983754 /nfs/dbraw/zinc/98/37/54/312983754.db2.gz VEXKYFBDQFHPMC-LBPRGKRZSA-N 0 1 331.376 2.318 20 5 EEBDMN Cc1cc(C(=O)NCc2nc([C@@H](N)CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000414633566 313052422 /nfs/dbraw/zinc/05/24/22/313052422.db2.gz ZTMGFSJMVRRISN-LBPRGKRZSA-N 0 1 347.375 2.262 20 5 EEBDMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000439217457 315070120 /nfs/dbraw/zinc/07/01/20/315070120.db2.gz RSVXEZHIKQDVDC-ZDUSSCGKSA-N 0 1 341.433 2.008 20 5 EEBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000444945582 315333797 /nfs/dbraw/zinc/33/37/97/315333797.db2.gz VMJFGBJWTJFBGV-UHFFFAOYSA-N 0 1 332.364 2.096 20 5 EEBDMN CCOc1cc(CN2CC[C@H](CN3CCOC3=O)C2)ccc1[N+](=O)[O-] ZINC000496685372 316228498 /nfs/dbraw/zinc/22/84/98/316228498.db2.gz VIJCDOVUJMRRGK-AWEZNQCLSA-N 0 1 349.387 2.268 20 5 EEBDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000564801122 319111456 /nfs/dbraw/zinc/11/14/56/319111456.db2.gz BYOXIGFPNVYJCQ-KRWDZBQOSA-N 0 1 342.351 2.485 20 5 EEBDMN COc1cc(C[N@@H+](C)CCC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000565250266 319166906 /nfs/dbraw/zinc/16/69/06/319166906.db2.gz KQAGWHQNIOYXJZ-UHFFFAOYSA-N 0 1 348.302 2.154 20 5 EEBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000566357260 319278505 /nfs/dbraw/zinc/27/85/05/319278505.db2.gz MSRVQIVLPWISLB-CQSZACIVSA-N 0 1 338.360 2.059 20 5 EEBDMN CC[C@@H]1CN(C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574513799 320032281 /nfs/dbraw/zinc/03/22/81/320032281.db2.gz CWKLVTJKMYIZTL-GFCCVEGCSA-N 0 1 340.811 2.213 20 5 EEBDMN O=C(CN1CCC[C@H]1[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000574873213 320064908 /nfs/dbraw/zinc/06/49/08/320064908.db2.gz GNBKJVROQARBPM-HIFRSBDPSA-N 0 1 333.388 2.424 20 5 EEBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000575045789 320082513 /nfs/dbraw/zinc/08/25/13/320082513.db2.gz QUDDOUZVACHJQN-RYUDHWBXSA-N 0 1 335.360 2.027 20 5 EEBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000575045789 320082515 /nfs/dbraw/zinc/08/25/15/320082515.db2.gz QUDDOUZVACHJQN-RYUDHWBXSA-N 0 1 335.360 2.027 20 5 EEBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000339049218 465050523 /nfs/dbraw/zinc/05/05/23/465050523.db2.gz KJVMFGAXNCGCJP-UHFFFAOYSA-N 0 1 343.387 2.191 20 5 EEBDMN CNC(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000358561784 465193975 /nfs/dbraw/zinc/19/39/75/465193975.db2.gz SXTYGKOPJKMPRI-UHFFFAOYSA-N 0 1 349.368 2.064 20 5 EEBDMN COc1cc([N+](=O)[O-])c(C(=O)N2CCc3nc[nH]c3C2)cc1SC ZINC000590553058 468271726 /nfs/dbraw/zinc/27/17/26/468271726.db2.gz TXBNYXPQFHSKPT-UHFFFAOYSA-N 0 1 348.384 2.247 20 5 EEBDMN CN(C(=O)CN1CC[C@H]2OCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000155396972 462885897 /nfs/dbraw/zinc/88/58/97/462885897.db2.gz AUOKGUJEEIZKAH-CZUORRHYSA-N 0 1 333.388 2.059 20 5 EEBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC[C@H]3c3nnc[nH]3)nc2c1 ZINC000590746658 468323810 /nfs/dbraw/zinc/32/38/10/468323810.db2.gz SUFUETJPIIUHEV-ZDUSSCGKSA-N 0 1 327.348 2.316 20 5 EEBDMN Cc1noc(C)c1CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000119443058 462901831 /nfs/dbraw/zinc/90/18/31/462901831.db2.gz PHUCRPIIMAUYDJ-ZDUSSCGKSA-N 0 1 331.376 2.324 20 5 EEBDMN C[C@H](COCC(F)(F)F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067278939 462987008 /nfs/dbraw/zinc/98/70/08/462987008.db2.gz DFTOBMGFUGQXPX-SSDOTTSWSA-N 0 1 346.265 2.168 20 5 EEBDMN Cc1ccc(CN(CCO)CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000093319967 463024985 /nfs/dbraw/zinc/02/49/85/463024985.db2.gz LUFPPHJZIMZELV-UHFFFAOYSA-N 0 1 336.310 2.276 20 5 EEBDMN CCCc1[nH]nc(C(=O)N(C)CCOc2ccccc2)c1[N+](=O)[O-] ZINC000068430212 463136186 /nfs/dbraw/zinc/13/61/86/463136186.db2.gz ZMDLTERVSBORNP-UHFFFAOYSA-N 0 1 332.360 2.421 20 5 EEBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(N)=O)c1 ZINC000122982527 463306843 /nfs/dbraw/zinc/30/68/43/463306843.db2.gz HALXHSBORJEHHB-UHFFFAOYSA-N 0 1 349.368 2.057 20 5 EEBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3nc[nH]n3)CC2)c1 ZINC000082979880 463526093 /nfs/dbraw/zinc/52/60/93/463526093.db2.gz VWSGLHIBZPSHAS-UHFFFAOYSA-N 0 1 347.400 2.455 20 5 EEBDMN CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000579478414 468364721 /nfs/dbraw/zinc/36/47/21/468364721.db2.gz ZVFSBBQOBWTESG-SNVBAGLBSA-N 0 1 327.768 2.120 20 5 EEBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N)n[nH]1 ZINC000277124126 463881155 /nfs/dbraw/zinc/88/11/55/463881155.db2.gz TVHXDZWPHDJVSQ-RKDXNWHRSA-N 0 1 332.364 2.300 20 5 EEBDMN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000178759834 463965018 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2.486 20 5 EEBDMN CC(C)c1ccc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285613629 464628349 /nfs/dbraw/zinc/62/83/49/464628349.db2.gz DDJRDNFDZZNUSS-DLBZAZTESA-N 0 1 347.415 2.263 20 5 EEBDMN COCC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000295012271 464678337 /nfs/dbraw/zinc/67/83/37/464678337.db2.gz XPQVVIMBYXWTNY-UHFFFAOYSA-N 0 1 344.371 2.484 20 5 EEBDMN COCCC[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000183529448 464875608 /nfs/dbraw/zinc/87/56/08/464875608.db2.gz NJYBECZZMSGREL-JTQLQIEISA-N 0 1 333.348 2.381 20 5 EEBDMN CC(C)(C(=O)NOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1F ZINC000276467072 464943636 /nfs/dbraw/zinc/94/36/36/464943636.db2.gz YENQPFABGCACEE-JTQLQIEISA-N 0 1 326.324 2.096 20 5 EEBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000286715229 465013093 /nfs/dbraw/zinc/01/30/93/465013093.db2.gz CURPEAGGLHHHDU-JTQLQIEISA-N 0 1 334.332 2.216 20 5 EEBDMN Cc1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] 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333.388 2.103 20 5 EEBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CC12CCOCC2 ZINC000371884159 466051350 /nfs/dbraw/zinc/05/13/50/466051350.db2.gz NCUMCJLKZVUKCD-LBPRGKRZSA-N 0 1 343.343 2.135 20 5 EEBDMN CCCc1[nH]nc(C(=O)N2CCOCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000372232692 466239793 /nfs/dbraw/zinc/23/97/93/466239793.db2.gz PTWLGRULZPKMEQ-UHFFFAOYSA-N 0 1 336.392 2.303 20 5 EEBDMN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331868387 466283567 /nfs/dbraw/zinc/28/35/67/466283567.db2.gz GJJPZQKAQKNZRN-PVAVHDDUSA-N 0 1 336.388 2.052 20 5 EEBDMN Cn1cc([C@@H]2CSCCN2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331961218 466323587 /nfs/dbraw/zinc/32/35/87/466323587.db2.gz UYXNSFNQFWIZHL-HNNXBMFYSA-N 0 1 334.401 2.324 20 5 EEBDMN Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4cncn4c3)n2)n1C ZINC000347159951 466441102 /nfs/dbraw/zinc/44/11/02/466441102.db2.gz OHKVDMVMXVOIMY-UHFFFAOYSA-N 0 1 325.288 2.001 20 5 EEBDMN COc1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313377113 466538833 /nfs/dbraw/zinc/53/88/33/466538833.db2.gz MTTKPRFWYFLVAZ-MRXNPFEDSA-N 0 1 341.367 2.390 20 5 EEBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@](C)(F)C1 ZINC000347350150 466584843 /nfs/dbraw/zinc/58/48/43/466584843.db2.gz MBBUOLAIOHSMTH-OAHLLOKOSA-N 0 1 325.340 2.366 20 5 EEBDMN CC(C)[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000354472625 466591286 /nfs/dbraw/zinc/59/12/86/466591286.db2.gz FTDOWMCUOZRFET-HNNXBMFYSA-N 0 1 345.403 2.920 20 5 EEBDMN CCOc1cc(CN2CCC(c3nnc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000372812141 466599851 /nfs/dbraw/zinc/59/98/51/466599851.db2.gz OSBZZGYSPTZXOT-UHFFFAOYSA-N 0 1 331.376 2.491 20 5 EEBDMN CO[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000374644441 466703642 /nfs/dbraw/zinc/70/36/42/466703642.db2.gz HCFABYTXBXWFHZ-HOTGVXAUSA-N 0 1 333.388 2.201 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000373776131 466916965 /nfs/dbraw/zinc/91/69/65/466916965.db2.gz FQOJEVWHMFCFMQ-CYBMUJFWSA-N 0 1 331.376 2.107 20 5 EEBDMN O=[N+]([O-])c1ccc(-c2nc(CN[C@H](CO)[C@@H]3CCCOC3)co2)cc1 ZINC000411998203 466963962 /nfs/dbraw/zinc/96/39/62/466963962.db2.gz VQMMAASILXTKEP-CZUORRHYSA-N 0 1 347.371 2.127 20 5 EEBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCOCC1CC1 ZINC000424070693 466971087 /nfs/dbraw/zinc/97/10/87/466971087.db2.gz SREVPAMYFLSOBJ-UHFFFAOYSA-N 0 1 328.390 2.326 20 5 EEBDMN COc1ccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1O ZINC000433937631 467365049 /nfs/dbraw/zinc/36/50/49/467365049.db2.gz WWUULCAANFFQEA-UHFFFAOYSA-N 0 1 348.359 2.428 20 5 EEBDMN O=C([O-])C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000392181580 467425155 /nfs/dbraw/zinc/42/51/55/467425155.db2.gz XFEOUSBAMPFSEV-UHFFFAOYSA-N 0 1 347.293 2.210 20 5 EEBDMN CN(C)CCN(C)C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444093225 467581769 /nfs/dbraw/zinc/58/17/69/467581769.db2.gz ASAUJFGHIXYVPA-UHFFFAOYSA-N 0 1 341.386 2.454 20 5 EEBDMN C[C@@H](CCCO)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449408478 467641071 /nfs/dbraw/zinc/64/10/71/467641071.db2.gz NZGGTATVLQDMKV-XJKSGUPXSA-N 0 1 332.404 2.416 20 5 EEBDMN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OCC[NH+](C)C ZINC000458199205 467788008 /nfs/dbraw/zinc/78/80/08/467788008.db2.gz QMDAEBNJAVFQAS-UHFFFAOYSA-N 0 1 332.360 2.424 20 5 EEBDMN CCOC(=O)N[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000496265940 468129447 /nfs/dbraw/zinc/12/94/47/468129447.db2.gz PVRNADNSPKUUBF-ZDUSSCGKSA-N 0 1 340.332 2.114 20 5 EEBDMN COCCN1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000590035555 468206234 /nfs/dbraw/zinc/20/62/34/468206234.db2.gz DOOPDASMROUJMI-CQSZACIVSA-N 0 1 349.431 2.099 20 5 EEBDMN CC(C)CN1CCO[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000490790310 468251334 /nfs/dbraw/zinc/25/13/34/468251334.db2.gz OIFLNQQYHHKGKR-PTZVLDCSSA-N 0 1 347.415 2.081 20 5 EEBDMN CCc1[nH]nc(C(=O)N2CCOc3cc(F)ccc3C2)c1[N+](=O)[O-] ZINC000600803377 468661816 /nfs/dbraw/zinc/66/18/16/468661816.db2.gz CXDBKMSQXJJYIJ-UHFFFAOYSA-N 0 1 334.307 2.054 20 5 EEBDMN Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592396217 468689981 /nfs/dbraw/zinc/68/99/81/468689981.db2.gz JLLPENVGSCBXES-AAEUAGOBSA-N 0 1 349.387 2.417 20 5 EEBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000597880704 468702458 /nfs/dbraw/zinc/70/24/58/468702458.db2.gz WFNRJWWXOLQSTR-VIFPVBQESA-N 0 1 340.380 2.073 20 5 EEBDMN CC[C@@H]1CN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000570997381 468724983 /nfs/dbraw/zinc/72/49/83/468724983.db2.gz MUEDHVJIOZDAPF-GFCCVEGCSA-N 0 1 325.796 2.343 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)COCC(C)C ZINC000595011416 468743101 /nfs/dbraw/zinc/74/31/01/468743101.db2.gz DSIQYQQVAYEZMM-GXTWGEPZSA-N 0 1 326.393 2.288 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(CS(C)(=O)=O)CC1 ZINC000595028769 468746239 /nfs/dbraw/zinc/74/62/39/468746239.db2.gz UOOPEZRVTLTPFE-NSHDSACASA-N 0 1 342.417 2.079 20 5 EEBDMN CC(C)c1[nH]nc(C(=O)N2CC(Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000610921646 469111585 /nfs/dbraw/zinc/11/15/85/469111585.db2.gz ASBPZWWSTLYTJL-UHFFFAOYSA-N 0 1 330.344 2.345 20 5 EEBDMN C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1C(=O)[O-] ZINC000593748557 469121619 /nfs/dbraw/zinc/12/16/19/469121619.db2.gz QPGSJABLSOWDED-ZWNOBZJWSA-N 0 1 346.343 2.187 20 5 EEBDMN C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@]1(C)C(=O)[O-] ZINC000593754276 469124850 /nfs/dbraw/zinc/12/48/50/469124850.db2.gz UEBMYBBIPNTSAY-HWPZZCPQSA-N 0 1 346.343 2.187 20 5 EEBDMN CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000611088177 469158039 /nfs/dbraw/zinc/15/80/39/469158039.db2.gz IHWKUCIXNGDAQU-LLVKDONJSA-N 0 1 325.796 2.343 20 5 EEBDMN O=[N+]([O-])c1cnn(CCN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000599505339 469278801 /nfs/dbraw/zinc/27/88/01/469278801.db2.gz MYPPRDUFYLPGOT-UHFFFAOYSA-N 0 1 334.351 2.474 20 5 EEBDMN O=[N+]([O-])c1sc(CNCCn2ccnc2)cc1Br ZINC000602503859 469341183 /nfs/dbraw/zinc/34/11/83/469341183.db2.gz NHFJUCRKEPHONW-UHFFFAOYSA-N 0 1 331.195 2.405 20 5 EEBDMN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000612077875 469387387 /nfs/dbraw/zinc/38/73/87/469387387.db2.gz UWKZUEMNMXFJGX-ZDUSSCGKSA-N 0 1 338.404 2.224 20 5 EEBDMN COC(=O)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000613985537 469826896 /nfs/dbraw/zinc/82/68/96/469826896.db2.gz SEULHINHIKMLGO-AWEZNQCLSA-N 0 1 348.286 2.084 20 5 EEBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609533091 469936358 /nfs/dbraw/zinc/93/63/58/469936358.db2.gz XVGLYSOCXWPHIH-UHFFFAOYSA-N 0 1 333.735 2.393 20 5 EEBDMN CC(C)(C)CNC(=O)C(C)(C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179615072 527685805 /nfs/dbraw/zinc/68/58/05/527685805.db2.gz RNQSRYGRCWLNFU-CQSZACIVSA-N 0 1 337.420 2.159 20 5 EEBDMN CCN1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000456901743 535670106 /nfs/dbraw/zinc/67/01/06/535670106.db2.gz PDRNELCLSQGIEC-UHFFFAOYSA-N 0 1 348.447 2.049 20 5 EEBDMN CC[C@H]1CN(CC)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000456366288 536134378 /nfs/dbraw/zinc/13/43/78/536134378.db2.gz ZTOUOJGQPDCFBV-AWEZNQCLSA-N 0 1 334.420 2.340 20 5 EEBDMN O=C1CCCCN1[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582202 577463279 /nfs/dbraw/zinc/46/32/79/577463279.db2.gz MDCGIDFCQOIQPZ-IAGOWNOFSA-N 0 1 347.415 2.105 20 5 EEBDMN C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1Cc1ccccc1 ZINC000766376713 577518091 /nfs/dbraw/zinc/51/80/91/577518091.db2.gz OSXSXTJXONHMFF-HUUCEWRRSA-N 0 1 329.404 2.344 20 5 EEBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000766376719 577518146 /nfs/dbraw/zinc/51/81/46/577518146.db2.gz OSXSXTJXONHMFF-LSDHHAIUSA-N 0 1 329.404 2.344 20 5 EEBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(O)cc([N+](=O)[O-])c1 ZINC000769464937 577578424 /nfs/dbraw/zinc/57/84/24/577578424.db2.gz FIJJUQGVPSOBNP-UHFFFAOYSA-N 0 1 346.299 2.051 20 5 EEBDMN O=C(NCc1ccc(-n2ccnc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000770415917 577595856 /nfs/dbraw/zinc/59/58/56/577595856.db2.gz HTNDBBVPXPMOKB-UHFFFAOYSA-N 0 1 338.323 2.416 20 5 EEBDMN N=C(NOCc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 ZINC000764568372 577738948 /nfs/dbraw/zinc/73/89/48/577738948.db2.gz GTVVFCWNZDKFRE-HNNXBMFYSA-N 0 1 329.312 2.433 20 5 EEBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000739639523 578061972 /nfs/dbraw/zinc/06/19/72/578061972.db2.gz OWVWVJYNTYCIKL-ZDUSSCGKSA-N 0 1 346.343 2.474 20 5 EEBDMN CCCc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n(C)n1 ZINC000120112467 674632582 /nfs/dbraw/zinc/63/25/82/674632582.db2.gz CVNUSCFZPGIKCP-UHFFFAOYSA-N 0 1 330.391 2.143 20 5 EEBDMN CCN1C[C@H](C)N(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000893050713 683642589 /nfs/dbraw/zinc/64/25/89/683642589.db2.gz MSSCTRXCSCLUPK-STQMWFEESA-N 0 1 344.415 2.366 20 5 EEBDMN Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccn[nH]2)c([N+](=O)[O-])c1 ZINC001058732429 684983972 /nfs/dbraw/zinc/98/39/72/684983972.db2.gz WOSFXXXICNARNP-BETUJISGSA-N 0 1 341.371 2.120 20 5 EEBDMN CC(C)c1cc(C(=O)N(C)CCN(C)c2ncccc2[N+](=O)[O-])n[nH]1 ZINC001105567484 1188181143 /nfs/dbraw/zinc/18/11/43/1188181143.db2.gz BNMHWFANIMEJKP-UHFFFAOYSA-N 0 1 346.391 2.045 20 5 EEBDMN O=C(Nc1ccccc1COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccco1 ZINC000842312460 1188614909 /nfs/dbraw/zinc/61/49/09/1188614909.db2.gz GGMOHEOEMWAJKE-DGCLKSJQSA-N 0 1 330.296 2.240 20 5 EEBDMN CCOC(=O)C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000842338922 1188642775 /nfs/dbraw/zinc/64/27/75/1188642775.db2.gz UMVHDHGXVOWBQS-OASPWFOLSA-N 0 1 343.282 2.168 20 5 EEBDMN CN(C(=O)c1cc[nH]n1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005132513 1194484223 /nfs/dbraw/zinc/48/42/23/1194484223.db2.gz AFJCPCCLCDGQTP-UHFFFAOYSA-N 0 1 343.387 2.055 20 5 EEBDMN CN(C(=O)c1ccn[nH]1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005132513 1194484225 /nfs/dbraw/zinc/48/42/25/1194484225.db2.gz AFJCPCCLCDGQTP-UHFFFAOYSA-N 0 1 343.387 2.055 20 5 EEBDMN CCc1c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])ccn1C ZINC001133842193 1199113651 /nfs/dbraw/zinc/11/36/51/1199113651.db2.gz GFXISUZAVNBFEA-UHFFFAOYSA-N 0 1 330.388 2.015 20 5 EEBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](O)c1ccccc1 ZINC000811535039 1200110473 /nfs/dbraw/zinc/11/04/73/1200110473.db2.gz FMGMTMCZZGQBPW-QLJPJBMISA-N 0 1 340.339 2.323 20 5 EEBDMN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2F)CC1 ZINC000866261547 1201479248 /nfs/dbraw/zinc/47/92/48/1201479248.db2.gz WHJUWVIUZFSRET-UHFFFAOYSA-N 0 1 346.366 2.409 20 5 EEBDMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000886194054 1202480148 /nfs/dbraw/zinc/48/01/48/1202480148.db2.gz ICHGACIEURVXOC-CJNGLKHVSA-N 0 1 343.383 2.500 20 5 EEBDMN Cc1n[nH]c(C(=O)NCCCN(C)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC001095517613 1205850951 /nfs/dbraw/zinc/85/09/51/1205850951.db2.gz SYRZCIQXSGURIK-UHFFFAOYSA-N 0 1 345.403 2.499 20 5 EEBDMN COC(=O)c1cncc(CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000930439852 1206557796 /nfs/dbraw/zinc/55/77/96/1206557796.db2.gz JZEYQGGBXLZLBL-UHFFFAOYSA-N 0 1 329.356 2.451 20 5 EEBDMN O=[N+]([O-])c1cnn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 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CCC1(NC(=O)OC(C)(C)C)CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047853 803593569 /nfs/dbraw/zinc/59/35/69/803593569.db2.gz RWPZYXQZEHLSKP-QWHCGFSZSA-N 0 1 327.425 2.421 20 5 EEBDMN C[C@@H]1Oc2ccccc2[C@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808337370 812604860 /nfs/dbraw/zinc/60/48/60/812604860.db2.gz HIFQMKOOEBMEBQ-SDBXPKJASA-N 0 1 340.382 2.457 20 5 EEBDMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC001573822654 960977369 /nfs/dbraw/zinc/97/73/69/960977369.db2.gz PFLKOFABCMCCNC-YVEFUNNKSA-N 0 1 349.387 2.499 20 5 EEBDMN C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598630338 994164328 /nfs/dbraw/zinc/16/43/28/994164328.db2.gz FESUJXPVIOSDTK-AWEZNQCLSA-N 0 1 328.328 2.287 20 5 EEBDMN C[N@H+]1Cc2ccccc2[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001598630338 994164332 /nfs/dbraw/zinc/16/43/32/994164332.db2.gz FESUJXPVIOSDTK-AWEZNQCLSA-N 0 1 328.328 2.287 20 5 EEBDMN Cc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000047423492 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345.359 2.203 20 5 EEBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000363248889 285089615 /nfs/dbraw/zinc/08/96/15/285089615.db2.gz OPACLDNMRCIVTM-HIFRSBDPSA-N 0 1 325.796 2.284 20 5 EEBDMN Cc1cc(NC[C@H](O)c2cnn(C)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272853399 256243804 /nfs/dbraw/zinc/24/38/04/256243804.db2.gz OZQLUFKGUMBIPG-INIZCTEOSA-N 0 1 327.344 2.330 20 5 EEBDMN Nc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000154722114 224294762 /nfs/dbraw/zinc/29/47/62/224294762.db2.gz ZGCPWZVYTQVBAT-UHFFFAOYSA-N 0 1 332.404 2.268 20 5 EEBDMN CCc1[nH]nc(C(=O)N2CCN(c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000273542257 256305293 /nfs/dbraw/zinc/30/52/93/256305293.db2.gz TZUQAQFSMUCOMQ-UHFFFAOYSA-N 0 1 343.387 2.151 20 5 EEBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000159767303 533319943 /nfs/dbraw/zinc/31/99/43/533319943.db2.gz XIBHVJHPLZNDMD-SECBINFHSA-N 0 1 343.343 2.157 20 5 EEBDMN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356618174 141027489 /nfs/dbraw/zinc/02/74/89/141027489.db2.gz KHMUYLZFFJSCDJ-CABCVRRESA-N 0 1 330.344 2.411 20 5 EEBDMN CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000111353281 142359729 /nfs/dbraw/zinc/35/97/29/142359729.db2.gz DWEFUDWCRNSJPT-ZDUSSCGKSA-N 0 1 341.433 2.056 20 5 EEBDMN Cn1cnc([N+](=O)[O-])c1CN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000355926535 153206321 /nfs/dbraw/zinc/20/63/21/153206321.db2.gz FQMBSDARRACMDR-UHFFFAOYSA-N 0 1 343.431 2.425 20 5 EEBDMN O=C(c1ccc(F)cc1O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000123850906 292284468 /nfs/dbraw/zinc/28/44/68/292284468.db2.gz JEKGYEDBPFWBTH-NSHDSACASA-N 0 1 346.318 2.161 20 5 EEBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(F)cc1 ZINC000341866351 161019963 /nfs/dbraw/zinc/01/99/63/161019963.db2.gz JJKHPYFRNIHSSO-CQSZACIVSA-N 0 1 334.351 2.105 20 5 EEBDMN CSCC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000342314889 161055717 /nfs/dbraw/zinc/05/57/17/161055717.db2.gz ODPSTCHPYJYVDV-IQCBXXCUSA-N 0 1 337.445 2.408 20 5 EEBDMN CCOC(=O)c1ccnc(N2C[C@@H](C)N(CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000345191157 161280446 /nfs/dbraw/zinc/28/04/46/161280446.db2.gz PHJOIGHWNPCFGZ-VXGBXAGGSA-N 0 1 336.392 2.085 20 5 EEBDMN CCN1C[C@@H](C)N(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000359928094 164198527 /nfs/dbraw/zinc/19/85/27/164198527.db2.gz YIHNSEWJWDMTIR-VXGBXAGGSA-N 0 1 335.404 2.467 20 5 EEBDMN C[C@@H](C(=O)Nc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369697923 166316591 /nfs/dbraw/zinc/31/65/91/166316591.db2.gz UCVONLFSRODCOY-ZDUSSCGKSA-N 0 1 343.387 2.455 20 5 EEBDMN CCc1n[nH]c(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1[N+](=O)[O-] ZINC000277918723 269198264 /nfs/dbraw/zinc/19/82/64/269198264.db2.gz RFJZNMPAVSLIKA-HTQZYQBOSA-N 0 1 335.368 2.003 20 5 EEBDMN COCC[N@H+]1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278508849 269235177 /nfs/dbraw/zinc/23/51/77/269235177.db2.gz XZWMFBXOHOPWJG-SECBINFHSA-N 0 1 334.298 2.141 20 5 EEBDMN COCCN1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278508849 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/nfs/dbraw/zinc/38/55/41/324385541.db2.gz HTPPUWHKZGJMSB-VXGBXAGGSA-N 0 1 337.376 2.123 20 5 EEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000339127062 465098775 /nfs/dbraw/zinc/09/87/75/465098775.db2.gz AUJDYEHSWNHLOU-RNCFNFMXSA-N 0 1 334.294 2.436 20 5 EEBDMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000354826601 465175556 /nfs/dbraw/zinc/17/55/56/465175556.db2.gz IOPDSGHWZFIXOQ-BFQNTYOBSA-N 0 1 348.378 2.299 20 5 EEBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000351600494 465245336 /nfs/dbraw/zinc/24/53/36/465245336.db2.gz MTMMFJAGNHRPKW-SDBXPKJASA-N 0 1 338.751 2.477 20 5 EEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H]2CCC[C@H]21 ZINC000298075691 465294143 /nfs/dbraw/zinc/29/41/43/465294143.db2.gz JUHWIZGLRNGUCT-CABCVRRESA-N 0 1 349.387 2.185 20 5 EEBDMN C[C@H]1C[C@@H]1[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H](C)C1 ZINC000578870595 468272294 /nfs/dbraw/zinc/27/22/94/468272294.db2.gz 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EEBDMN C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574990479 320077682 /nfs/dbraw/zinc/07/76/82/320077682.db2.gz ALCCCOSWJWJNPM-IUCAKERBSA-N 0 1 327.768 2.118 20 5 EEBDMN C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574990479 320077684 /nfs/dbraw/zinc/07/76/84/320077684.db2.gz ALCCCOSWJWJNPM-IUCAKERBSA-N 0 1 327.768 2.118 20 5 EEBDMN Cc1ccc([C@@H](C)NCC(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000181826001 323357621 /nfs/dbraw/zinc/35/76/21/323357621.db2.gz ADSREHHIMAKTBX-GFCCVEGCSA-N 0 1 336.392 2.036 20 5 EEBDMN Cc1cc(NC(=O)c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)no1 ZINC000612957954 449956101 /nfs/dbraw/zinc/95/61/01/449956101.db2.gz AMYLTRGZKVMLTM-UHFFFAOYSA-N 0 1 343.299 2.426 20 5 EEBDMN Cc1ccnc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000339046654 465049446 /nfs/dbraw/zinc/04/94/46/465049446.db2.gz RKQZDVBIKHAIBF-UHFFFAOYSA-N 0 1 341.776 2.430 20 5 EEBDMN O=C(NC[C@H](CO)CC1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000337278723 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Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001607826628 1351566403 /nfs/dbraw/zinc/56/64/03/1351566403.db2.gz UTKHLYLFKSVEKU-WCQYABFASA-N 0 1 335.360 2.027 20 5 EEBDMN CCN(CCNCc1csc([N+](=O)[O-])c1)C(=O)C1CCOCC1 ZINC001754029807 1406810834 /nfs/dbraw/zinc/81/08/34/1406810834.db2.gz OEUYMJLSGGWIMA-UHFFFAOYSA-N 0 1 341.433 2.021 20 5 EEBDMN CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1c[nH]nn1 ZINC001575353439 1403545521 /nfs/dbraw/zinc/54/55/21/1403545521.db2.gz XZKWLICFDRCZGC-GZBFAFLISA-N 0 1 329.360 2.330 20 5 EEBDMN C[C@H]1NCCn2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)ccc21 ZINC001576895000 1403616349 /nfs/dbraw/zinc/61/63/49/1403616349.db2.gz UURVNHMAAPDXSY-SECBINFHSA-N 0 1 340.343 2.189 20 5 EEBDMN CC[C@H]1CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCS1 ZINC001590521323 1403884697 /nfs/dbraw/zinc/88/46/97/1403884697.db2.gz CEQNNIQQKNAYJL-JTQLQIEISA-N 0 1 334.405 2.102 20 5 EEBDMN CN1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 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349.412 2.135 20 5 EEBDMN Cc1ccc([N+](=O)[O-])c(NCC=CCNC(=O)c2[nH]ncc2F)c1 ZINC001107493710 787410464 /nfs/dbraw/zinc/41/04/64/787410464.db2.gz MOLDAXAIHPQQFE-NSCUHMNNSA-N 0 1 333.323 2.164 20 5 EEBDMN C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000846273305 790110805 /nfs/dbraw/zinc/11/08/05/790110805.db2.gz XLWKWUALYQWPSR-IRXDYDNUSA-N 0 1 344.367 2.256 20 5 EEBDMN CCCc1nc(C)c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001147940569 792046284 /nfs/dbraw/zinc/04/62/84/792046284.db2.gz XSPUWLVRENERGA-UHFFFAOYSA-N 0 1 346.387 2.363 20 5 EEBDMN COC(=O)[C@H]1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173182401 797280077 /nfs/dbraw/zinc/28/00/77/797280077.db2.gz ROTPVNMUMVSQJD-QWRGUYRKSA-N 0 1 340.351 2.168 20 5 EEBDMN CN1CC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000922226847 799956157 /nfs/dbraw/zinc/95/61/57/799956157.db2.gz ZGXVGDDBZNZQBB-NSHDSACASA-N 0 1 346.309 2.117 20 5 EEBDMN CN1CCN(C(=N)Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001168735463 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2.189 20 5 EEBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1cncc2[nH]ccc21 ZINC001130833792 812085466 /nfs/dbraw/zinc/08/54/66/812085466.db2.gz MACSARRAARRCAY-UHFFFAOYSA-N 0 1 345.384 2.052 20 5 EEBDMN C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C(=O)[O-] ZINC001589333867 953970499 /nfs/dbraw/zinc/97/04/99/953970499.db2.gz DCPZBIGSGVHPPY-QMTHXVAHSA-N 0 1 336.344 2.146 20 5 EEBDMN