smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000245990685 243178090 /nfs/dbraw/zinc/17/80/90/243178090.db2.gz IITXREHZIAVSSW-XJKSGUPXSA-N 1 1 334.420 3.097 10 5 EGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000344565541 141173794 /nfs/dbraw/zinc/17/37/94/141173794.db2.gz MMEFUHWPWFHGFV-AWEZNQCLSA-N 1 1 349.456 3.016 10 5 EGBEMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCOCC1 ZINC000093315096 162001261 /nfs/dbraw/zinc/00/12/61/162001261.db2.gz HYVYKYBYTNZGCY-UHFFFAOYSA-N 1 1 330.331 3.055 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344060621 164093777 /nfs/dbraw/zinc/09/37/77/164093777.db2.gz LVYIWBZKMNCSNE-CQSZACIVSA-N 1 1 347.415 3.220 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000353610004 165827421 /nfs/dbraw/zinc/82/74/21/165827421.db2.gz VKPUIFDFRPNBSG-CVEARBPZSA-N 1 1 326.400 3.340 10 5 EGBEMO C[N@H+]1CC[C@H](NCc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367389687 168219344 /nfs/dbraw/zinc/21/93/44/168219344.db2.gz WOMYRJNSAFZLKP-FUHWJXTLSA-N 1 1 329.375 3.269 10 5 EGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000183120177 275399969 /nfs/dbraw/zinc/39/99/69/275399969.db2.gz OEQVKTPVGRBGIF-IUYQLWOBSA-N 1 1 345.443 3.092 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451866431 310201042 /nfs/dbraw/zinc/20/10/42/310201042.db2.gz BJGGELKWBUVECE-STQMWFEESA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451866431 310201043 /nfs/dbraw/zinc/20/10/43/310201043.db2.gz BJGGELKWBUVECE-STQMWFEESA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451872156 310201256 /nfs/dbraw/zinc/20/12/56/310201256.db2.gz MGONQYKATXLMHH-CHWSQXEVSA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451872156 310201257 /nfs/dbraw/zinc/20/12/57/310201257.db2.gz MGONQYKATXLMHH-CHWSQXEVSA-N 1 1 345.365 3.472 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452109081 310212690 /nfs/dbraw/zinc/21/26/90/310212690.db2.gz XEVLXNXRIXODAH-UHFFFAOYSA-N 1 1 349.431 3.441 10 5 EGBEMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(C)CCCC1 ZINC000489847549 311122540 /nfs/dbraw/zinc/12/25/40/311122540.db2.gz OXAXSAFYTGHCPR-UHFFFAOYSA-N 1 1 325.796 3.451 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000007587226 453090558 /nfs/dbraw/zinc/09/05/58/453090558.db2.gz MYWXLZRLDVHHSV-CJNGLKHVSA-N 1 1 347.415 3.197 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076483976 454005941 /nfs/dbraw/zinc/00/59/41/454005941.db2.gz JIBMCQITKGOEJH-ABAIWWIYSA-N 1 1 339.823 3.051 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000068255504 454011754 /nfs/dbraw/zinc/01/17/54/454011754.db2.gz WGFWXHHRWVWDJL-CYBMUJFWSA-N 1 1 332.429 3.325 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000089952504 454245494 /nfs/dbraw/zinc/24/54/94/454245494.db2.gz SPYZLPXESJNBSH-CABCVRRESA-N 1 1 340.420 3.220 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000089952504 454245500 /nfs/dbraw/zinc/24/55/00/454245500.db2.gz SPYZLPXESJNBSH-CABCVRRESA-N 1 1 340.420 3.220 10 5 EGBEMO Cc1cnc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078670795 454295910 /nfs/dbraw/zinc/29/59/10/454295910.db2.gz ZTXSYZVMKJEWTD-OAHLLOKOSA-N 1 1 337.383 3.428 10 5 EGBEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120661370 454332169 /nfs/dbraw/zinc/33/21/69/454332169.db2.gz RZOISLLEHDIHTK-CQSZACIVSA-N 1 1 343.383 3.085 10 5 EGBEMO CCOCC[N@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000120986550 454373744 /nfs/dbraw/zinc/37/37/44/454373744.db2.gz LRIXPKVNFYTEIE-KOEDOTQGSA-N 1 1 347.459 3.041 10 5 EGBEMO COc1cccc(OCC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153006758 454752106 /nfs/dbraw/zinc/75/21/06/454752106.db2.gz XGAOJNUISHUZPM-UHFFFAOYSA-N 1 1 328.368 3.041 10 5 EGBEMO COc1cccc(OCC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153006758 454752111 /nfs/dbraw/zinc/75/21/11/454752111.db2.gz XGAOJNUISHUZPM-UHFFFAOYSA-N 1 1 328.368 3.041 10 5 EGBEMO O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128659732 455075756 /nfs/dbraw/zinc/07/57/56/455075756.db2.gz GCPCRYBLBVDGKF-OAHLLOKOSA-N 1 1 347.346 3.493 10 5 EGBEMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000156198092 455091695 /nfs/dbraw/zinc/09/16/95/455091695.db2.gz JBHFRJNXRUUTKF-AWEZNQCLSA-N 1 1 330.384 3.242 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000129581544 455117121 /nfs/dbraw/zinc/11/71/21/455117121.db2.gz OHIRZWNELWJVQE-OAHLLOKOSA-N 1 1 348.447 3.454 10 5 EGBEMO Cc1csc([C@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246238109 455455312 /nfs/dbraw/zinc/45/53/12/455455312.db2.gz HHDTTZJHYVIXJN-GOEBONIOSA-N 1 1 347.440 3.273 10 5 EGBEMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000246932661 455536068 /nfs/dbraw/zinc/53/60/68/455536068.db2.gz HDQKPHUPFYOUOD-WMLDXEAASA-N 1 1 348.447 3.077 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247200842 455572673 /nfs/dbraw/zinc/57/26/73/455572673.db2.gz OZMHSMRKUCHEEV-YOEHRIQHSA-N 1 1 341.415 3.047 10 5 EGBEMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000292296506 455621667 /nfs/dbraw/zinc/62/16/67/455621667.db2.gz MQQMRTLMPPFPGA-INIZCTEOSA-N 1 1 341.358 3.193 10 5 EGBEMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000248082554 455678608 /nfs/dbraw/zinc/67/86/08/455678608.db2.gz SAZHFAFTOFTTFD-WMZOPIPTSA-N 1 1 339.395 3.078 10 5 EGBEMO CC[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194026551 455793273 /nfs/dbraw/zinc/79/32/73/455793273.db2.gz NXHAIKDMARJZMP-UHFFFAOYSA-N 1 1 336.373 3.024 10 5 EGBEMO CC[N@@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194026551 455793278 /nfs/dbraw/zinc/79/32/78/455793278.db2.gz NXHAIKDMARJZMP-UHFFFAOYSA-N 1 1 336.373 3.024 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280985892 456100698 /nfs/dbraw/zinc/10/06/98/456100698.db2.gz LLJAZCOPFUPPRX-KDOFPFPSSA-N 1 1 327.384 3.342 10 5 EGBEMO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903505 456247492 /nfs/dbraw/zinc/24/74/92/456247492.db2.gz OYBMHBZWTSVIBX-RHSMWYFYSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903505 456247497 /nfs/dbraw/zinc/24/74/97/456247497.db2.gz OYBMHBZWTSVIBX-RHSMWYFYSA-N 1 1 348.353 3.434 10 5 EGBEMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352769468 456290065 /nfs/dbraw/zinc/29/00/65/456290065.db2.gz MQXWJKGDQQAJDC-QGZVFWFLSA-N 1 1 344.411 3.377 10 5 EGBEMO O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000302116847 456291711 /nfs/dbraw/zinc/29/17/11/456291711.db2.gz CITBBCYZXSJYLA-YESZJQIVSA-N 1 1 338.411 3.312 10 5 EGBEMO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783299 456302489 /nfs/dbraw/zinc/30/24/89/456302489.db2.gz JESIROPQXCHWLJ-RDJZCZTQSA-N 1 1 345.443 3.052 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921934 456315563 /nfs/dbraw/zinc/31/55/63/456315563.db2.gz TURUEJFOVHJARS-BETUJISGSA-N 1 1 344.415 3.069 10 5 EGBEMO CCOc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC000601148372 460731129 /nfs/dbraw/zinc/73/11/29/460731129.db2.gz AHKILEGKIVRNEZ-SFHVURJKSA-N 1 1 348.374 3.130 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000276540794 456511239 /nfs/dbraw/zinc/51/12/39/456511239.db2.gz GBYAZZZDIUCPOW-NSHDSACASA-N 1 1 339.823 3.018 10 5 EGBEMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310076916 456580168 /nfs/dbraw/zinc/58/01/68/456580168.db2.gz GXNLKFLZXPIPDB-MRXNPFEDSA-N 1 1 326.400 3.314 10 5 EGBEMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000326741595 456699327 /nfs/dbraw/zinc/69/93/27/456699327.db2.gz VANWISBXCQXEFP-BFYDXBDKSA-N 1 1 334.416 3.119 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000299624811 456747648 /nfs/dbraw/zinc/74/76/48/456747648.db2.gz KQOMVDJPHVBOFM-OAHLLOKOSA-N 1 1 333.432 3.288 10 5 EGBEMO CO[C@@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000353789637 456906924 /nfs/dbraw/zinc/90/69/24/456906924.db2.gz CYHCVMLNNVQLRE-NSHDSACASA-N 1 1 332.347 3.442 10 5 EGBEMO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354085192 457051607 /nfs/dbraw/zinc/05/16/07/457051607.db2.gz HBECPOZNNUYXIB-GFCCVEGCSA-N 1 1 340.221 3.030 10 5 EGBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000357000898 457267259 /nfs/dbraw/zinc/26/72/59/457267259.db2.gz NKZRNLFPVHCWJM-UHFFFAOYSA-N 1 1 331.416 3.003 10 5 EGBEMO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3cn[nH]c3)o2)c([N+](=O)[O-])c1 ZINC000339791157 457272046 /nfs/dbraw/zinc/27/20/46/457272046.db2.gz WPWFYJXRHGASPW-NSHDSACASA-N 1 1 342.355 3.437 10 5 EGBEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCC2 ZINC000352526294 457440451 /nfs/dbraw/zinc/44/04/51/457440451.db2.gz MEHVHYOJNGLVBX-DLBZAZTESA-N 1 1 334.416 3.383 10 5 EGBEMO CN(c1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1)C1CC1 ZINC000352549648 457459529 /nfs/dbraw/zinc/45/95/29/457459529.db2.gz FFCVGRAYJGBHTH-UHFFFAOYSA-N 1 1 346.456 3.324 10 5 EGBEMO CN(c1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1)C1CC1 ZINC000352549648 457459536 /nfs/dbraw/zinc/45/95/36/457459536.db2.gz FFCVGRAYJGBHTH-UHFFFAOYSA-N 1 1 346.456 3.324 10 5 EGBEMO CSc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000370630487 457686615 /nfs/dbraw/zinc/68/66/15/457686615.db2.gz HYTWGEDELLMSIR-UHFFFAOYSA-N 1 1 346.412 3.060 10 5 EGBEMO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000361866903 457916259 /nfs/dbraw/zinc/91/62/59/457916259.db2.gz CWIHXYIYDSQQGI-UHFFFAOYSA-N 1 1 337.445 3.064 10 5 EGBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000361866903 457916269 /nfs/dbraw/zinc/91/62/69/457916269.db2.gz CWIHXYIYDSQQGI-UHFFFAOYSA-N 1 1 337.445 3.064 10 5 EGBEMO CC[C@@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458493395 458069255 /nfs/dbraw/zinc/06/92/55/458069255.db2.gz GSCICTIWNKUSCG-RHSMWYFYSA-N 1 1 348.447 3.077 10 5 EGBEMO CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526869 458081935 /nfs/dbraw/zinc/08/19/35/458081935.db2.gz YIQKDHZYMRZNAH-DLBZAZTESA-N 1 1 348.447 3.170 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590602818 459159437 /nfs/dbraw/zinc/15/94/37/459159437.db2.gz YFJWXBDFCCLEEM-HNNXBMFYSA-N 1 1 327.384 3.248 10 5 EGBEMO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041406 459225663 /nfs/dbraw/zinc/22/56/63/459225663.db2.gz PSXNVPFDKWTSTF-RYUDHWBXSA-N 1 1 331.372 3.419 10 5 EGBEMO C[N@@H+]1CC[C@H](NCc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000595477454 459316500 /nfs/dbraw/zinc/31/65/00/459316500.db2.gz SZFQQWMODPCUBF-WMZOPIPTSA-N 1 1 329.375 3.269 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595549594 459343247 /nfs/dbraw/zinc/34/32/47/459343247.db2.gz UHSUIMXKXRVECR-DZGCQCFKSA-N 1 1 348.447 3.136 10 5 EGBEMO CN1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000560546067 459371339 /nfs/dbraw/zinc/37/13/39/459371339.db2.gz PRZTYWNBYMLHDQ-QYZOEREBSA-N 1 1 331.460 3.380 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](CCF)C3)n2)cc1 ZINC000595755774 459427776 /nfs/dbraw/zinc/42/77/76/459427776.db2.gz QCLBAPIVVCMXTF-GFCCVEGCSA-N 1 1 334.351 3.216 10 5 EGBEMO COc1cc(C[N@@H+](C)CCOc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000485717090 459466589 /nfs/dbraw/zinc/46/65/89/459466589.db2.gz NTPVESOGSJDUKB-UHFFFAOYSA-N 1 1 330.384 3.423 10 5 EGBEMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978484 459482705 /nfs/dbraw/zinc/48/27/05/459482705.db2.gz JMFFOGVFZFMWDT-HOCLYGCPSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978484 459482710 /nfs/dbraw/zinc/48/27/10/459482710.db2.gz JMFFOGVFZFMWDT-HOCLYGCPSA-N 1 1 334.326 3.125 10 5 EGBEMO COc1cc(C[N@@H+]2CC3CC2(C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000595917141 459486066 /nfs/dbraw/zinc/48/60/66/459486066.db2.gz XVSJBUOPSWQLDU-UHFFFAOYSA-N 1 1 328.315 3.189 10 5 EGBEMO COc1cc(C[N@H+]2CC3CC2(C)C3)c([N+](=O)[O-])cc1OC(F)F ZINC000595917141 459486071 /nfs/dbraw/zinc/48/60/71/459486071.db2.gz XVSJBUOPSWQLDU-UHFFFAOYSA-N 1 1 328.315 3.189 10 5 EGBEMO O=c1[nH]ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596092794 459517199 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10 5 EGBEMO CCOC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000602441264 459938518 /nfs/dbraw/zinc/93/85/18/459938518.db2.gz WOCWJQNMDFVMBR-UHFFFAOYSA-N 1 1 347.371 3.170 10 5 EGBEMO CCOC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)on1 ZINC000602441264 459938525 /nfs/dbraw/zinc/93/85/25/459938525.db2.gz WOCWJQNMDFVMBR-UHFFFAOYSA-N 1 1 347.371 3.170 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598677647 459989612 /nfs/dbraw/zinc/98/96/12/459989612.db2.gz QTQKBFHOBHOOTN-GXTWGEPZSA-N 1 1 336.342 3.053 10 5 EGBEMO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 ZINC000599599909 460285595 /nfs/dbraw/zinc/28/55/95/460285595.db2.gz HXFMXNNIHBDLJA-LBPRGKRZSA-N 1 1 346.383 3.471 10 5 EGBEMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671626 460303973 /nfs/dbraw/zinc/30/39/73/460303973.db2.gz ZSAMNZAEPKYWHQ-SCLBCKFNSA-N 1 1 340.379 3.428 10 5 EGBEMO 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ZINC000352769556 456290282 /nfs/dbraw/zinc/29/02/82/456290282.db2.gz NIUNKCGHDFGOKO-UHFFFAOYSA-N 1 1 335.448 3.157 10 5 EGBEMO O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000302116843 456290759 /nfs/dbraw/zinc/29/07/59/456290759.db2.gz CITBBCYZXSJYLA-GVDBMIGSSA-N 1 1 338.411 3.312 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CCC1(F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000348329798 456627685 /nfs/dbraw/zinc/62/76/85/456627685.db2.gz RLXOEPJURYWUGK-OAHLLOKOSA-N 1 1 332.379 3.290 10 5 EGBEMO Cc1nc2ccc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)cc2[nH]1 ZINC000358857899 457008836 /nfs/dbraw/zinc/00/88/36/457008836.db2.gz GIPULGMGJFDUCU-UHFFFAOYSA-N 1 1 334.339 3.086 10 5 EGBEMO Cc1cn2cc(Nc3ncc(Br)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000354392500 457195453 /nfs/dbraw/zinc/19/54/53/457195453.db2.gz POHBZXBZRYXFJE-UHFFFAOYSA-N 1 1 348.160 3.452 10 5 EGBEMO COc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1F ZINC000352575917 457478443 /nfs/dbraw/zinc/47/84/43/457478443.db2.gz DNEZJMKNFHTGAU-JTQLQIEISA-N 1 1 344.346 3.470 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000398012512 457493801 /nfs/dbraw/zinc/49/38/01/457493801.db2.gz DNAXGAIZADQECV-PBHICJAKSA-N 1 1 326.400 3.312 10 5 EGBEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000412043421 458061225 /nfs/dbraw/zinc/06/12/25/458061225.db2.gz NUVFKRQDNLFODS-NEPJUHHUSA-N 1 1 335.404 3.051 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000530514489 458782366 /nfs/dbraw/zinc/78/23/66/458782366.db2.gz FKULDSPJOYVUBK-UHFFFAOYSA-N 1 1 349.431 3.300 10 5 EGBEMO C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592563 459101769 /nfs/dbraw/zinc/10/17/69/459101769.db2.gz RNFBNKQQURSWTC-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO COc1ccc(C[NH2+]CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000521813805 459178830 /nfs/dbraw/zinc/17/88/30/459178830.db2.gz ADTMHWANIQTWIM-GJZGRUSLSA-N 1 1 349.475 3.450 10 5 EGBEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470433 459313369 /nfs/dbraw/zinc/31/33/69/459313369.db2.gz NUUWLNVGIRSNGO-UOUZQGKXSA-N 1 1 336.407 3.495 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755961 459426618 /nfs/dbraw/zinc/42/66/18/459426618.db2.gz RXAPIAWHVBRZGI-AWEZNQCLSA-N 1 1 337.395 3.303 10 5 EGBEMO COc1cc(C[N@@H+](C)CCOc2ccccc2C)ccc1[N+](=O)[O-] ZINC000485820787 459472404 /nfs/dbraw/zinc/47/24/04/459472404.db2.gz CCDPPNQOTREPQV-UHFFFAOYSA-N 1 1 330.384 3.423 10 5 EGBEMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591917718 459483533 /nfs/dbraw/zinc/48/35/33/459483533.db2.gz BHKRBMUQRVXWEQ-HNNXBMFYSA-N 1 1 344.459 3.037 10 5 EGBEMO COc1cncc(/C=C\CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000592085009 459521633 /nfs/dbraw/zinc/52/16/33/459521633.db2.gz AEKGTHVDKAMHBL-DJWKRKHSSA-N 1 1 339.395 3.460 10 5 EGBEMO CC[N@@H+](C)C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596143223 459535684 /nfs/dbraw/zinc/53/56/84/459535684.db2.gz QTMFGPKBTFUUHQ-LLVKDONJSA-N 1 1 327.812 3.035 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000542545684 459570211 /nfs/dbraw/zinc/57/02/11/459570211.db2.gz TZWPEXPCQSDRBX-UKRRQHHQSA-N 1 1 326.824 3.477 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000542545684 459570214 /nfs/dbraw/zinc/57/02/14/459570214.db2.gz TZWPEXPCQSDRBX-UKRRQHHQSA-N 1 1 326.824 3.477 10 5 EGBEMO COC(=O)c1c(Cl)c(N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000596236687 459570667 /nfs/dbraw/zinc/57/06/67/459570667.db2.gz KYUCZMGHOFLWAL-JTQLQIEISA-N 1 1 343.811 3.175 10 5 EGBEMO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000596451817 459641838 /nfs/dbraw/zinc/64/18/38/459641838.db2.gz CFGDWQYCGHQQPL-HOCLYGCPSA-N 1 1 348.447 3.090 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000597138510 459850317 /nfs/dbraw/zinc/85/03/17/459850317.db2.gz RXSKWFVNDCLOCE-HNNXBMFYSA-N 1 1 341.415 3.291 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cn(C4CCC4)nn3)C2)cc1 ZINC000597138510 459850328 /nfs/dbraw/zinc/85/03/28/459850328.db2.gz RXSKWFVNDCLOCE-HNNXBMFYSA-N 1 1 341.415 3.291 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H]4COC[C@H]4C3)o2)c1 ZINC000597229639 459885031 /nfs/dbraw/zinc/88/50/31/459885031.db2.gz HKCQZRJYMDJSAB-LSDHHAIUSA-N 1 1 328.368 3.323 10 5 EGBEMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597232061 459886918 /nfs/dbraw/zinc/88/69/18/459886918.db2.gz OQSJDFSXZRSDTL-INIZCTEOSA-N 1 1 347.459 3.455 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000597249605 459895618 /nfs/dbraw/zinc/89/56/18/459895618.db2.gz WCCSGOMPCUZYTJ-ACJLOTCBSA-N 1 1 330.384 3.205 10 5 EGBEMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976207 459897460 /nfs/dbraw/zinc/89/74/60/459897460.db2.gz XOTYTQAZILKYRB-KXBFYZLASA-N 1 1 342.395 3.436 10 5 EGBEMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976207 459897465 /nfs/dbraw/zinc/89/74/65/459897465.db2.gz XOTYTQAZILKYRB-KXBFYZLASA-N 1 1 342.395 3.436 10 5 EGBEMO C[N@H+]1CCC[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000593464536 459897658 /nfs/dbraw/zinc/89/76/58/459897658.db2.gz KZQDHSCFUJVWBV-DYVFJYSZSA-N 1 1 326.400 3.064 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598466825 459904750 /nfs/dbraw/zinc/90/47/50/459904750.db2.gz WOXODMMHDHNVQK-UHFFFAOYSA-N 1 1 327.812 3.098 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC000594054704 460077209 /nfs/dbraw/zinc/07/72/09/460077209.db2.gz VUANKOZDOMNDCO-MRXNPFEDSA-N 1 1 331.416 3.238 10 5 EGBEMO CC(C)c1ncc2c(n1)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000598938186 460096214 /nfs/dbraw/zinc/09/62/14/460096214.db2.gz WGZIAKBORYAXCT-UHFFFAOYSA-N 1 1 326.400 3.109 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000589510951 460096715 /nfs/dbraw/zinc/09/67/15/460096715.db2.gz XRWZKRAIYVSZTD-UGSOOPFHSA-N 1 1 332.400 3.394 10 5 EGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000598038927 460151665 /nfs/dbraw/zinc/15/16/65/460151665.db2.gz HKVNWCGEKOFVFL-FUHWJXTLSA-N 1 1 347.459 3.106 10 5 EGBEMO C[C@]12CCCC[C@H]1C[N@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000599671986 460303831 /nfs/dbraw/zinc/30/38/31/460303831.db2.gz WLFSJXJHHPIGCU-UGSOOPFHSA-N 1 1 345.399 3.157 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCCC4(CC4)CC3)n2)c1 ZINC000599673376 460304985 /nfs/dbraw/zinc/30/49/85/460304985.db2.gz QAVLKSPOIBPHCN-UHFFFAOYSA-N 1 1 328.372 3.411 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCCC[C@@]32C)c([N+](=O)[O-])c1 ZINC000599674956 460305756 /nfs/dbraw/zinc/30/57/56/460305756.db2.gz LZTPJEQNVJVSHF-UGSOOPFHSA-N 1 1 347.415 3.197 10 5 EGBEMO CCOC(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000600123069 460391873 /nfs/dbraw/zinc/39/18/73/460391873.db2.gz ITXSUHRZNHBALY-GFCCVEGCSA-N 1 1 329.356 3.017 10 5 EGBEMO CCOc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000617206886 460775376 /nfs/dbraw/zinc/77/53/76/460775376.db2.gz QYZJNLAQQXKIIF-SJORKVTESA-N 1 1 347.459 3.441 10 5 EGBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000882395710 1301946641 /nfs/dbraw/zinc/94/66/41/1301946641.db2.gz XRWZTDRCITURTH-CYBMUJFWSA-N 1 1 331.416 3.108 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896237240 1309761410 /nfs/dbraw/zinc/76/14/10/1309761410.db2.gz LDFSFPRELFYJGQ-PINLSGDHSA-N 1 1 328.372 3.179 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000858209145 1328711574 /nfs/dbraw/zinc/71/15/74/1328711574.db2.gz DHXJXXCEWFUERV-GFCCVEGCSA-N 1 1 348.712 3.338 10 5 EGBEMO Cc1nccc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000916741187 1319702342 /nfs/dbraw/zinc/70/23/42/1319702342.db2.gz BMROKUGKRWHXQG-ZDUSSCGKSA-N 1 1 330.363 3.212 10 5 EGBEMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000916741187 1319702354 /nfs/dbraw/zinc/70/23/54/1319702354.db2.gz BMROKUGKRWHXQG-ZDUSSCGKSA-N 1 1 330.363 3.212 10 5 EGBEMO COc1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1[N+](=O)[O-] ZINC000921610945 1322363376 /nfs/dbraw/zinc/36/33/76/1322363376.db2.gz BFQSMVGOQNWCKK-UHFFFAOYSA-N 1 1 336.779 3.147 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459451 1329123554 /nfs/dbraw/zinc/12/35/54/1329123554.db2.gz PGYPKABYWCCRPA-GFCCVEGCSA-N 1 1 330.388 3.224 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931459451 1329123556 /nfs/dbraw/zinc/12/35/56/1329123556.db2.gz PGYPKABYWCCRPA-GFCCVEGCSA-N 1 1 330.388 3.224 10 5 EGBEMO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000862629808 1329500553 /nfs/dbraw/zinc/50/05/53/1329500553.db2.gz RMKFWKKZIKWUIL-OAHLLOKOSA-N 1 1 349.406 3.179 10 5 EGBEMO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000863210086 1329534860 /nfs/dbraw/zinc/53/48/60/1329534860.db2.gz LTNDDNRSGSYLCU-INIZCTEOSA-N 1 1 348.472 3.288 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@@H]21 ZINC000866205968 1330078101 /nfs/dbraw/zinc/07/81/01/1330078101.db2.gz PEBGBMYRYMFNAX-MFKMUULPSA-N 1 1 329.322 3.144 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000866402168 1330106940 /nfs/dbraw/zinc/10/69/40/1330106940.db2.gz ICCSLSUEPNKWMG-CJNGLKHVSA-N 1 1 346.456 3.151 10 5 EGBEMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC001324515365 1387657558 /nfs/dbraw/zinc/65/75/58/1387657558.db2.gz DCYAAHKJUICZKJ-UHFFFAOYSA-N 1 1 339.273 3.300 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001185555078 1387746460 /nfs/dbraw/zinc/74/64/60/1387746460.db2.gz HLDWQXLNXWFPSV-HNNXBMFYSA-N 1 1 347.415 3.058 10 5 EGBEMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001198621037 1369075391 /nfs/dbraw/zinc/07/53/91/1369075391.db2.gz HDKPRCJEHLYTOB-FUHWJXTLSA-N 1 1 347.459 3.168 10 5 EGBEMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001198621037 1369075401 /nfs/dbraw/zinc/07/54/01/1369075401.db2.gz HDKPRCJEHLYTOB-FUHWJXTLSA-N 1 1 347.459 3.168 10 5 EGBEMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001198621038 1369075880 /nfs/dbraw/zinc/07/58/80/1369075880.db2.gz HDKPRCJEHLYTOB-SJLPKXTDSA-N 1 1 347.459 3.168 10 5 EGBEMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001198621038 1369075886 /nfs/dbraw/zinc/07/58/86/1369075886.db2.gz HDKPRCJEHLYTOB-SJLPKXTDSA-N 1 1 347.459 3.168 10 5 EGBEMO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001186864544 1388016934 /nfs/dbraw/zinc/01/69/34/1388016934.db2.gz LCCWCVJKLHYNQQ-SDDRHHMPSA-N 1 1 327.812 3.158 10 5 EGBEMO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001186864544 1388016939 /nfs/dbraw/zinc/01/69/39/1388016939.db2.gz LCCWCVJKLHYNQQ-SDDRHHMPSA-N 1 1 327.812 3.158 10 5 EGBEMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001136400963 1377389414 /nfs/dbraw/zinc/38/94/14/1377389414.db2.gz FYVWHXCYUVANEV-AEFFLSMTSA-N 1 1 345.443 3.349 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001154889829 1380373500 /nfs/dbraw/zinc/37/35/00/1380373500.db2.gz SCTSQXAXEVLXQR-AWEZNQCLSA-N 1 1 345.443 3.301 10 5 EGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1csc2ccccc12 ZINC001166991077 1383511096 /nfs/dbraw/zinc/51/10/96/1383511096.db2.gz XMQIINWEMGXIPN-UHFFFAOYSA-N 1 1 330.413 3.446 10 5 EGBEMO CC[N@@H+](CCNc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC001306956918 1383926018 /nfs/dbraw/zinc/92/60/18/1383926018.db2.gz JXRLELBLKSDHHS-UHFFFAOYSA-N 1 1 330.226 3.500 10 5 EGBEMO CCOCCOC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001307414542 1383986049 /nfs/dbraw/zinc/98/60/49/1383986049.db2.gz CNCHCJNYHBEFTE-UHFFFAOYSA-N 1 1 342.823 3.266 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975169 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OCKLEUMKOUXWOS-HOCLYGCPSA-N 1 1 348.443 3.437 10 5 EGBEMO CCC[N@H+](CCNC(=O)c1coc(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC001317542205 1385282576 /nfs/dbraw/zinc/28/25/76/1385282576.db2.gz OURUOLGWKLXGOK-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1coc(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC001317542205 1385282580 /nfs/dbraw/zinc/28/25/80/1385282580.db2.gz OURUOLGWKLXGOK-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO C[C@@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccc([N+](=O)[O-])cc1 ZINC001176030198 1385465854 /nfs/dbraw/zinc/46/58/54/1385465854.db2.gz ZORBCUDSXWFFJB-NEPJUHHUSA-N 1 1 338.367 3.393 10 5 EGBEMO CCC1(C(=O)N(C)CC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001320066296 1386486100 /nfs/dbraw/zinc/48/61/00/1386486100.db2.gz FSYWDSXBMNDHAN-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CC[N@@H+](CCNC(=O)/C=C\C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691011878 1404927041 /nfs/dbraw/zinc/92/70/41/1404927041.db2.gz KXUJFHJQNILQFW-KHPPLWFESA-N 1 1 333.432 3.135 10 5 EGBEMO CC[N@H+](CCNC(=O)C1(C)CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001691034054 1404943623 /nfs/dbraw/zinc/94/36/23/1404943623.db2.gz FKDMVOFTICEERZ-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@@H+](CCNC(=O)C1(C)CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001691034054 1404943624 /nfs/dbraw/zinc/94/36/24/1404943624.db2.gz FKDMVOFTICEERZ-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC(C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)=C1CCC1 ZINC001707377784 1417301779 /nfs/dbraw/zinc/30/17/79/1417301779.db2.gz UIHIQLXSGJEJEG-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO Cc1cc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001713475942 1418157216 /nfs/dbraw/zinc/15/72/16/1418157216.db2.gz KJKMDRYGASNAOV-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO Cc1cc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001713475942 1418157219 /nfs/dbraw/zinc/15/72/19/1418157219.db2.gz KJKMDRYGASNAOV-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO CC1(CC(=O)NCC2=CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001725819886 1426495873 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348.447 3.172 10 5 EGBEMO Cc1ccncc1N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000341253785 141144138 /nfs/dbraw/zinc/14/41/38/141144138.db2.gz MKWSJPRKOXOJIH-HNNXBMFYSA-N 1 1 326.400 3.181 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188073815 144168329 /nfs/dbraw/zinc/16/83/29/144168329.db2.gz LXAYCVBWXJCKJT-STQMWFEESA-N 1 1 336.388 3.003 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000349071663 156343311 /nfs/dbraw/zinc/34/33/11/156343311.db2.gz GOJLDECCTBYNOK-MRXNPFEDSA-N 1 1 328.368 3.175 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000354314515 166002012 /nfs/dbraw/zinc/00/20/12/166002012.db2.gz BFSPSMPDZACCLT-OAHLLOKOSA-N 1 1 326.400 3.091 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCC[N@@H+](C)Cc2ccco2)n1 ZINC000343810472 164040748 /nfs/dbraw/zinc/04/07/48/164040748.db2.gz OTYVRXMOARJEOX-UHFFFAOYSA-N 1 1 332.404 3.158 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c(F)c1 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MDFMDMRIOQKPNA-OAHLLOKOSA-N 1 1 341.415 3.278 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000273435960 267038720 /nfs/dbraw/zinc/03/87/20/267038720.db2.gz MDFMDMRIOQKPNA-OAHLLOKOSA-N 1 1 341.415 3.278 10 5 EGBEMO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC000339112727 274066090 /nfs/dbraw/zinc/06/60/90/274066090.db2.gz SCXKBACBFWJELH-IINYFYTJSA-N 1 1 332.322 3.470 10 5 EGBEMO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C ZINC000339112727 274066091 /nfs/dbraw/zinc/06/60/91/274066091.db2.gz SCXKBACBFWJELH-IINYFYTJSA-N 1 1 332.322 3.470 10 5 EGBEMO COc1ccc(CN[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000185686424 275216013 /nfs/dbraw/zinc/21/60/13/275216013.db2.gz BKTBBJDWDNTAEA-IFXJQAMLSA-N 1 1 343.427 3.384 10 5 EGBEMO Cc1cc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295997215 308383115 /nfs/dbraw/zinc/38/31/15/308383115.db2.gz XKZCIHJCUNCVGN-NEPJUHHUSA-N 1 1 339.823 3.111 10 5 EGBEMO Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000488075877 311050277 /nfs/dbraw/zinc/05/02/77/311050277.db2.gz PCECJYGSEMDMOX-UHFFFAOYSA-N 1 1 345.374 3.421 10 5 EGBEMO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000488075877 311050279 /nfs/dbraw/zinc/05/02/79/311050279.db2.gz PCECJYGSEMDMOX-UHFFFAOYSA-N 1 1 345.374 3.421 10 5 EGBEMO CCOc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492457958 311253334 /nfs/dbraw/zinc/25/33/34/311253334.db2.gz CGDXECPHTHKOFI-UHFFFAOYSA-N 1 1 341.411 3.316 10 5 EGBEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000535720009 314062792 /nfs/dbraw/zinc/06/27/92/314062792.db2.gz OVZNLXBZWKLKIG-BBRMVZONSA-N 1 1 326.400 3.064 10 5 EGBEMO C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000564700332 316189462 /nfs/dbraw/zinc/18/94/62/316189462.db2.gz XXNGMKYYIPFPMT-CQSZACIVSA-N 1 1 333.432 3.079 10 5 EGBEMO CC(C)COC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000054321875 453923294 /nfs/dbraw/zinc/92/32/94/453923294.db2.gz UPDFSQFIPIRLSE-CQSZACIVSA-N 1 1 349.431 3.059 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000060890099 454318780 /nfs/dbraw/zinc/31/87/80/454318780.db2.gz KXGTVBMDGJSQQI-AWEZNQCLSA-N 1 1 349.431 3.443 10 5 EGBEMO COc1cccc([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000079437543 454414424 /nfs/dbraw/zinc/41/44/24/454414424.db2.gz KCLNUANNGXOZNW-ZFWWWQNUSA-N 1 1 342.399 3.246 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342179 455492867 /nfs/dbraw/zinc/49/28/67/455492867.db2.gz YYUKVHDOFTVJER-WBMJQRKESA-N 1 1 325.840 3.410 10 5 EGBEMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000150747301 454886445 /nfs/dbraw/zinc/88/64/45/454886445.db2.gz PVFAFGZFFMUFAG-CYBMUJFWSA-N 1 1 335.404 3.197 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000128462236 455058793 /nfs/dbraw/zinc/05/87/93/455058793.db2.gz GYOIDVNEKXFSNP-OAHLLOKOSA-N 1 1 328.416 3.441 10 5 EGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000179726129 455070932 /nfs/dbraw/zinc/07/09/32/455070932.db2.gz OESYRLKSCBIMJM-UHFFFAOYSA-N 1 1 349.456 3.017 10 5 EGBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190487580 455330728 /nfs/dbraw/zinc/33/07/28/455330728.db2.gz OIABSBKGFBBUPX-HNNXBMFYSA-N 1 1 346.456 3.005 10 5 EGBEMO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000246313447 455468286 /nfs/dbraw/zinc/46/82/86/455468286.db2.gz QYSYWMRKZZADGF-JKSUJKDBSA-N 1 1 347.440 3.403 10 5 EGBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000247038010 455549647 /nfs/dbraw/zinc/54/96/47/455549647.db2.gz GNHUWKSQDQGBTA-FZMZJTMJSA-N 1 1 345.424 3.118 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277782582 455665282 /nfs/dbraw/zinc/66/52/82/455665282.db2.gz NWNZXLSWLHHIMZ-SCDSUCTJSA-N 1 1 332.322 3.291 10 5 EGBEMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000284755725 455736708 /nfs/dbraw/zinc/73/67/08/455736708.db2.gz LTKBFAJUIRKENG-CYBMUJFWSA-N 1 1 339.823 3.129 10 5 EGBEMO COc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000269389686 455847604 /nfs/dbraw/zinc/84/76/04/455847604.db2.gz CEMPRYVVFQZFBH-WFASDCNBSA-N 1 1 349.406 3.196 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000270651305 456005335 /nfs/dbraw/zinc/00/53/35/456005335.db2.gz MOJGTDRLNBBJPR-AEFFLSMTSA-N 1 1 339.395 3.078 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000301927820 456253299 /nfs/dbraw/zinc/25/32/99/456253299.db2.gz KNMHYMJBVDBMKK-NWDGAFQWSA-N 1 1 325.384 3.275 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc3cc[nH]c3n2)c1 ZINC000353230069 456574681 /nfs/dbraw/zinc/57/46/81/456574681.db2.gz RUDHIDSIOGNFHZ-UHFFFAOYSA-N 1 1 348.309 3.362 10 5 EGBEMO Cc1[nH+]ccn1CCCN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291787570 456757369 /nfs/dbraw/zinc/75/73/69/456757369.db2.gz CZTIYHCSFSNCBT-UHFFFAOYSA-N 1 1 325.372 3.174 10 5 EGBEMO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000340922275 456762070 /nfs/dbraw/zinc/76/20/70/456762070.db2.gz WMQHFVJDHXMBCG-WMLDXEAASA-N 1 1 339.395 3.441 10 5 EGBEMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000342280084 457209131 /nfs/dbraw/zinc/20/91/31/457209131.db2.gz LCHWMZJMYDXKMO-JTQLQIEISA-N 1 1 335.310 3.162 10 5 EGBEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC000342282318 457210846 /nfs/dbraw/zinc/21/08/46/457210846.db2.gz PCJJWNHRFODCMR-NWDGAFQWSA-N 1 1 338.367 3.393 10 5 EGBEMO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000361248079 457666109 /nfs/dbraw/zinc/66/61/09/457666109.db2.gz AGYLPQPWFGAGDA-ZDUSSCGKSA-N 1 1 346.383 3.474 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374858375 457720414 /nfs/dbraw/zinc/72/04/14/457720414.db2.gz QLYJUPFYHRHKOR-UGSOOPFHSA-N 1 1 330.359 3.388 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374858353 457720700 /nfs/dbraw/zinc/72/07/00/457720700.db2.gz QLYJUPFYHRHKOR-ACJLOTCBSA-N 1 1 330.359 3.388 10 5 EGBEMO Cc1c(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000375467269 457940191 /nfs/dbraw/zinc/94/01/91/457940191.db2.gz YAHQPAKOGNAOFS-CQSZACIVSA-N 1 1 328.372 3.153 10 5 EGBEMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000371744577 458057767 /nfs/dbraw/zinc/05/77/67/458057767.db2.gz ATOJSXYAVMDPPF-HKUYNNGSSA-N 1 1 326.396 3.426 10 5 EGBEMO Cc1cn2cc(Nc3ncc([N+](=O)[O-])cc3Br)ccc2[nH+]1 ZINC000362271361 458069138 /nfs/dbraw/zinc/06/91/38/458069138.db2.gz YAQHNOXMCMQJDI-UHFFFAOYSA-N 1 1 348.160 3.452 10 5 EGBEMO COc1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000362322952 458104044 /nfs/dbraw/zinc/10/40/44/458104044.db2.gz PTOXSOOFCUKJHB-QGZVFWFLSA-N 1 1 338.379 3.135 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1F ZINC000362322952 458104048 /nfs/dbraw/zinc/10/40/48/458104048.db2.gz PTOXSOOFCUKJHB-QGZVFWFLSA-N 1 1 338.379 3.135 10 5 EGBEMO COc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000547769120 458789741 /nfs/dbraw/zinc/78/97/41/458789741.db2.gz VPVNKJXVAGHJEL-UWVGGRQHSA-N 1 1 330.331 3.230 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000473516999 458832859 /nfs/dbraw/zinc/83/28/59/458832859.db2.gz FUNLHZGOUPKZPR-CJNGLKHVSA-N 1 1 328.416 3.310 10 5 EGBEMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000441006503 458875978 /nfs/dbraw/zinc/87/59/78/458875978.db2.gz CAGDEOZQSZQISG-AUUYWEPGSA-N 1 1 342.395 3.298 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000556431524 458961481 /nfs/dbraw/zinc/96/14/81/458961481.db2.gz ZOBPYFVZNBUKBW-UHFFFAOYSA-N 1 1 336.395 3.438 10 5 EGBEMO CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000590053203 459073360 /nfs/dbraw/zinc/07/33/60/459073360.db2.gz YGMMLOQUHDYHJU-GUYCJALGSA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000590053203 459073365 /nfs/dbraw/zinc/07/33/65/459073365.db2.gz YGMMLOQUHDYHJU-GUYCJALGSA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000590053203 459073368 /nfs/dbraw/zinc/07/33/68/459073368.db2.gz YGMMLOQUHDYHJU-GUYCJALGSA-N 1 1 343.452 3.459 10 5 EGBEMO COc1ccc(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000533536668 459249503 /nfs/dbraw/zinc/24/95/03/459249503.db2.gz MYICEDZEEKCNIC-BFUOFWGJSA-N 1 1 342.395 3.427 10 5 EGBEMO COc1ccccc1CC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595308549 459274980 /nfs/dbraw/zinc/27/49/80/459274980.db2.gz KIHQRFCHUKXSKQ-UHFFFAOYSA-N 1 1 345.399 3.355 10 5 EGBEMO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000523798947 459332194 /nfs/dbraw/zinc/33/21/94/459332194.db2.gz KINXBZBWMYOHML-CQSZACIVSA-N 1 1 348.447 3.220 10 5 EGBEMO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(OC)c1 ZINC000595683031 459394894 /nfs/dbraw/zinc/39/48/94/459394894.db2.gz FCDXLUQGGYUCBV-MRXNPFEDSA-N 1 1 346.383 3.089 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902411 459481911 /nfs/dbraw/zinc/48/19/11/459481911.db2.gz JHDQRPOTDLSLPM-ZDUSSCGKSA-N 1 1 339.395 3.121 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902411 459481915 /nfs/dbraw/zinc/48/19/15/459481915.db2.gz JHDQRPOTDLSLPM-ZDUSSCGKSA-N 1 1 339.395 3.121 10 5 EGBEMO COc1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1[N+](=O)[O-] ZINC000596075192 459509683 /nfs/dbraw/zinc/50/96/83/459509683.db2.gz FLPYZJFCLNMWBU-YPMHNXCESA-N 1 1 325.796 3.296 10 5 EGBEMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596141263 459534906 /nfs/dbraw/zinc/53/49/06/459534906.db2.gz HSMUHDFLQRVHOF-GFCCVEGCSA-N 1 1 341.839 3.425 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596439715 459636386 /nfs/dbraw/zinc/63/63/86/459636386.db2.gz GHEIPTZALMNECS-LLVKDONJSA-N 1 1 340.811 3.243 10 5 EGBEMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000543620918 459676523 /nfs/dbraw/zinc/67/65/23/459676523.db2.gz WBKGOMGKFVKPED-UHFFFAOYSA-N 1 1 340.379 3.248 10 5 EGBEMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000543620918 459676527 /nfs/dbraw/zinc/67/65/27/459676527.db2.gz WBKGOMGKFVKPED-UHFFFAOYSA-N 1 1 340.379 3.248 10 5 EGBEMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000543631909 459678591 /nfs/dbraw/zinc/67/85/91/459678591.db2.gz OQUYZTOHXRLNHG-NVXWUHKLSA-N 1 1 347.459 3.420 10 5 EGBEMO CCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000596788324 459762906 /nfs/dbraw/zinc/76/29/06/459762906.db2.gz QGVDDULPHXSFMV-CQSZACIVSA-N 1 1 334.420 3.160 10 5 EGBEMO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000593067882 459763121 /nfs/dbraw/zinc/76/31/21/459763121.db2.gz AKOKYAAFQCKSLL-INIZCTEOSA-N 1 1 331.372 3.251 10 5 EGBEMO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000593067882 459763128 /nfs/dbraw/zinc/76/31/28/459763128.db2.gz AKOKYAAFQCKSLL-INIZCTEOSA-N 1 1 331.372 3.251 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)o1 ZINC000597231270 459885007 /nfs/dbraw/zinc/88/50/07/459885007.db2.gz PCMUBIDWQZLXLT-KGLIPLIRSA-N 1 1 328.368 3.323 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000597249608 459895276 /nfs/dbraw/zinc/89/52/76/459895276.db2.gz WCCSGOMPCUZYTJ-UGSOOPFHSA-N 1 1 330.384 3.205 10 5 EGBEMO Cc1cc[nH+]c(N2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000593465277 459897676 /nfs/dbraw/zinc/89/76/76/459897676.db2.gz PHLWXMSVMSFPRH-UHFFFAOYSA-N 1 1 349.394 3.173 10 5 EGBEMO Cn1ncc2c1CC(C)(C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597258779 459898594 /nfs/dbraw/zinc/89/85/94/459898594.db2.gz RQVCLQPFWLZYNP-SOFGYWHQSA-N 1 1 340.427 3.426 10 5 EGBEMO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+](C2CCC2)C1 ZINC000593472722 459900111 /nfs/dbraw/zinc/90/01/11/459900111.db2.gz IZCBWXXBYSPESQ-AWEZNQCLSA-N 1 1 340.427 3.454 10 5 EGBEMO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858141 460081892 /nfs/dbraw/zinc/08/18/92/460081892.db2.gz KIIBWMUCFACNQC-CQSZACIVSA-N 1 1 333.432 3.321 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3C[C@H]2C)c1 ZINC000589501962 460094817 /nfs/dbraw/zinc/09/48/17/460094817.db2.gz MCONTSUBBULCQJ-CYBMUJFWSA-N 1 1 340.379 3.328 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3ccccc3C[C@H]2C)c1 ZINC000589501962 460094824 /nfs/dbraw/zinc/09/48/24/460094824.db2.gz MCONTSUBBULCQJ-CYBMUJFWSA-N 1 1 340.379 3.328 10 5 EGBEMO CCOc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(F)cc1OC ZINC000598954308 460100249 /nfs/dbraw/zinc/10/02/49/460100249.db2.gz AEXDPKBCRPLURV-UHFFFAOYSA-N 1 1 334.347 3.431 10 5 EGBEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000610433313 460151469 /nfs/dbraw/zinc/15/14/69/460151469.db2.gz AHJCYJGZHDCUFN-MRXNPFEDSA-N 1 1 331.441 3.363 10 5 EGBEMO CN1CCC(CNc2ccsc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000614977305 460257214 /nfs/dbraw/zinc/25/72/14/460257214.db2.gz PZYGVLCAFXPFTR-UHFFFAOYSA-N 1 1 338.477 3.019 10 5 EGBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000599553479 460273794 /nfs/dbraw/zinc/27/37/94/460273794.db2.gz WPFPBYGJQWCPTA-MJBXVCDLSA-N 1 1 349.456 3.200 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553420 460274090 /nfs/dbraw/zinc/27/40/90/460274090.db2.gz TUMOLLSPEZSQGV-CABCVRRESA-N 1 1 349.456 3.202 10 5 EGBEMO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c(OC)c1 ZINC000599597005 460284539 /nfs/dbraw/zinc/28/45/39/460284539.db2.gz TUJTYYIDVIZBDK-LBPRGKRZSA-N 1 1 346.383 3.471 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC2)CC1 ZINC000599673560 460305263 /nfs/dbraw/zinc/30/52/63/460305263.db2.gz UNYXENGUUHMRNH-ZDUSSCGKSA-N 1 1 347.415 3.197 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599675570 460305526 /nfs/dbraw/zinc/30/55/26/460305526.db2.gz RWFFNPLHETWKHP-KSSFIOAISA-N 1 1 331.416 3.496 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599790694 460334440 /nfs/dbraw/zinc/33/44/40/460334440.db2.gz IVVBHPBEIPEZTM-HNNXBMFYSA-N 1 1 346.431 3.350 10 5 EGBEMO CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1[N+](=O)[O-] ZINC000600206943 460440210 /nfs/dbraw/zinc/44/02/10/460440210.db2.gz IFIILAFPMYCRTG-HUYGQZFBSA-N 1 1 336.457 3.204 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1[N+](=O)[O-] ZINC000600206943 460440216 /nfs/dbraw/zinc/44/02/16/460440216.db2.gz IFIILAFPMYCRTG-HUYGQZFBSA-N 1 1 336.457 3.204 10 5 EGBEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059651 460461834 /nfs/dbraw/zinc/46/18/34/460461834.db2.gz BRDVYTIBVKHBSB-ZFWWWQNUSA-N 1 1 326.400 3.206 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735222057 575619193 /nfs/dbraw/zinc/61/91/93/575619193.db2.gz XCUQHKBQCULZFO-KRWDZBQOSA-N 1 1 340.379 3.335 10 5 EGBEMO CC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301277537 1296786546 /nfs/dbraw/zinc/78/65/46/1296786546.db2.gz MLUCLADDJXEQKY-KRWDZBQOSA-N 1 1 340.379 3.451 10 5 EGBEMO CC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301277537 1296786556 /nfs/dbraw/zinc/78/65/56/1296786556.db2.gz MLUCLADDJXEQKY-KRWDZBQOSA-N 1 1 340.379 3.451 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872282037 1296894243 /nfs/dbraw/zinc/89/42/43/1296894243.db2.gz ZSVQCRJNWYVGIT-MSOLQXFVSA-N 1 1 334.416 3.052 10 5 EGBEMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000930788238 1328971261 /nfs/dbraw/zinc/97/12/61/1328971261.db2.gz QWSALJIXDRPOKY-ZWKOTPCHSA-N 1 1 345.443 3.079 10 5 EGBEMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859508375 1329003462 /nfs/dbraw/zinc/00/34/62/1329003462.db2.gz WPHIMHDTTFKPEJ-SFHVURJKSA-N 1 1 341.411 3.160 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000924954874 1323227103 /nfs/dbraw/zinc/22/71/03/1323227103.db2.gz LMINLOLRHWCODH-GFCCVEGCSA-N 1 1 330.388 3.376 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862154278 1329462700 /nfs/dbraw/zinc/46/27/00/1329462700.db2.gz ISKDASOGVIWZFG-CQSZACIVSA-N 1 1 341.411 3.351 10 5 EGBEMO CC(C)c1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000865704858 1329730988 /nfs/dbraw/zinc/73/09/88/1329730988.db2.gz AYDOBNJBYUFTHE-MRXNPFEDSA-N 1 1 335.429 3.172 10 5 EGBEMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC001191101224 1367423939 /nfs/dbraw/zinc/42/39/39/1367423939.db2.gz VGAMAMQJRLGNJT-GJZGRUSLSA-N 1 1 338.452 3.015 10 5 EGBEMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](Cc2ccccc2)C1 ZINC001195798112 1368493021 /nfs/dbraw/zinc/49/30/21/1368493021.db2.gz MYGGAVKWIJVFSM-MRXNPFEDSA-N 1 1 331.441 3.015 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001196411094 1368609812 /nfs/dbraw/zinc/60/98/12/1368609812.db2.gz YGFQHZWDYJCYSM-MRXNPFEDSA-N 1 1 345.443 3.486 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC[C@]34CCOC4)co2)cc1 ZINC001198767834 1369109073 /nfs/dbraw/zinc/10/90/73/1369109073.db2.gz DOGXMLVABJVFOB-GOSISDBHSA-N 1 1 343.383 3.395 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCC[C@]34CCOC4)co2)cc1 ZINC001198767834 1369109077 /nfs/dbraw/zinc/10/90/77/1369109077.db2.gz DOGXMLVABJVFOB-GOSISDBHSA-N 1 1 343.383 3.395 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001198828265 1369123696 /nfs/dbraw/zinc/12/36/96/1369123696.db2.gz LAMGGNTWDGTWII-SFHVURJKSA-N 1 1 334.416 3.399 10 5 EGBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001186905451 1388026546 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3.364 10 5 EGBEMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001127549263 1373137946 /nfs/dbraw/zinc/13/79/46/1373137946.db2.gz OCQGYNYWQOSOLS-CYBMUJFWSA-N 1 1 345.321 3.425 10 5 EGBEMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1cnn(-c2cc[nH+]cc2)c1 ZINC001128947558 1373327617 /nfs/dbraw/zinc/32/76/17/1373327617.db2.gz XDFUVEOBDAFRJU-UHFFFAOYSA-N 1 1 343.730 3.081 10 5 EGBEMO C/C(=C\C(=O)N(C)CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001327187330 1388429674 /nfs/dbraw/zinc/42/96/74/1388429674.db2.gz GYBHNFLMJSSYDA-NTCAYCPXSA-N 1 1 345.443 3.231 10 5 EGBEMO CCC[N@H+]1CCC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001294224110 1382429377 /nfs/dbraw/zinc/42/93/77/1382429377.db2.gz RTMIZOZLNPWYNV-QGZVFWFLSA-N 1 1 347.459 3.156 10 5 EGBEMO CC(C)[N@@H+](C)C[C@H](C)Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001163428460 1383049836 /nfs/dbraw/zinc/04/98/36/1383049836.db2.gz VKANSJNVAUUJLC-NSHDSACASA-N 1 1 336.823 3.359 10 5 EGBEMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001299399180 1383525671 /nfs/dbraw/zinc/52/56/71/1383525671.db2.gz RDPPHTJSUBEJSX-OAHLLOKOSA-N 1 1 345.786 3.035 10 5 EGBEMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC[N+](=O)[O-] ZINC001167233870 1383572089 /nfs/dbraw/zinc/57/20/89/1383572089.db2.gz RYAQLQDTASLELV-UHFFFAOYSA-N 1 1 335.379 3.402 10 5 EGBEMO Cc1cc(OCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC001307274112 1383965478 /nfs/dbraw/zinc/96/54/78/1383965478.db2.gz LWIKMLSNFYNYSS-UHFFFAOYSA-N 1 1 342.395 3.314 10 5 EGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC001307529797 1383998792 /nfs/dbraw/zinc/99/87/92/1383998792.db2.gz LKLQQJRUQWSKAF-UHFFFAOYSA-N 1 1 334.416 3.399 10 5 EGBEMO COC[C@H]1CCCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001307838894 1384039437 /nfs/dbraw/zinc/03/94/37/1384039437.db2.gz IKOZPKOZBNUERS-LLVKDONJSA-N 1 1 343.221 3.358 10 5 EGBEMO COC[C@H]1CCCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001307838894 1384039441 /nfs/dbraw/zinc/03/94/41/1384039441.db2.gz IKOZPKOZBNUERS-LLVKDONJSA-N 1 1 343.221 3.358 10 5 EGBEMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001307886841 1384050915 /nfs/dbraw/zinc/05/09/15/1384050915.db2.gz CVBXIEUJZVCURP-HNNXBMFYSA-N 1 1 325.840 3.410 10 5 EGBEMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC001308057870 1384082267 /nfs/dbraw/zinc/08/22/67/1384082267.db2.gz SQBOPVCYMIAKOV-GFCCVEGCSA-N 1 1 348.384 3.257 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001308159925 1384102802 /nfs/dbraw/zinc/10/28/02/1384102802.db2.gz LTWQHSNMAQISAH-MSOLQXFVSA-N 1 1 334.416 3.397 10 5 EGBEMO Cc1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC001316819810 1384615760 /nfs/dbraw/zinc/61/57/60/1384615760.db2.gz QCJXIYXAEOXVIR-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CC(C)(C)C(=O)NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001316927540 1384698553 /nfs/dbraw/zinc/69/85/53/1384698553.db2.gz SHRKIMVBNGDJGA-UHFFFAOYSA-N 1 1 333.432 3.112 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1coc(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317542157 1385282635 /nfs/dbraw/zinc/28/26/35/1385282635.db2.gz MVVJWNBZTNIWSC-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO C[C@H]1CC[C@H](C(=O)N(C)CC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001320073297 1386493369 /nfs/dbraw/zinc/49/33/69/1386493369.db2.gz WLDVKWJIHCNSIU-JCNLHEQBSA-N 1 1 347.459 3.311 10 5 EGBEMO C[C@H]1CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001320073297 1386493373 /nfs/dbraw/zinc/49/33/73/1386493373.db2.gz WLDVKWJIHCNSIU-JCNLHEQBSA-N 1 1 347.459 3.311 10 5 EGBEMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC001320936082 1386763378 /nfs/dbraw/zinc/76/33/78/1386763378.db2.gz QIDSJNFQDKFNMP-HZMBPMFUSA-N 1 1 343.221 3.214 10 5 EGBEMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1C ZINC001320936082 1386763373 /nfs/dbraw/zinc/76/33/73/1386763373.db2.gz QIDSJNFQDKFNMP-HZMBPMFUSA-N 1 1 343.221 3.214 10 5 EGBEMO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001480887022 1392999505 /nfs/dbraw/zinc/99/95/05/1392999505.db2.gz BBRQTRSAJVLRNC-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001480887022 1392999509 /nfs/dbraw/zinc/99/95/09/1392999509.db2.gz BBRQTRSAJVLRNC-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO CCCC1(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001714558429 1419286267 /nfs/dbraw/zinc/28/62/67/1419286267.db2.gz XHHWNYBRBAPIHX-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@H+](CCNC(=O)C=C1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001714579533 1419317117 /nfs/dbraw/zinc/31/71/17/1419317117.db2.gz YAYAAOFQLCMGMN-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CC[N@@H+](CCNC(=O)C=C1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001714579533 1419317121 /nfs/dbraw/zinc/31/71/21/1419317121.db2.gz YAYAAOFQLCMGMN-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CCCC(C)(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001723554869 1424463625 /nfs/dbraw/zinc/46/36/25/1424463625.db2.gz NMPGOGWSDOXDBO-UHFFFAOYSA-N 1 1 339.461 3.221 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000127770063 205116809 /nfs/dbraw/zinc/11/68/09/205116809.db2.gz SWVHADSEQZLSPP-CYBMUJFWSA-N 1 1 334.420 3.208 10 5 EGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000130840138 205261070 /nfs/dbraw/zinc/26/10/70/205261070.db2.gz CIFUTUQJOZSOKM-HNNXBMFYSA-N 1 1 343.387 3.223 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000156020852 206050561 /nfs/dbraw/zinc/05/05/61/206050561.db2.gz PADARYAXXCDVTK-CJNGLKHVSA-N 1 1 334.420 3.097 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174748283 207052170 /nfs/dbraw/zinc/05/21/70/207052170.db2.gz HPLQZYOJPLFVRB-ZBFHGGJFSA-N 1 1 346.431 3.382 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(-n3ccnc3)cs1)CC2 ZINC000346205074 141179601 /nfs/dbraw/zinc/17/96/01/141179601.db2.gz QMFAVBBUXJGTFT-UHFFFAOYSA-N 1 1 340.408 3.400 10 5 EGBEMO COc1cc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925206 141218578 /nfs/dbraw/zinc/21/85/78/141218578.db2.gz GSLDTBJJIAQUNC-HOCLYGCPSA-N 1 1 347.459 3.346 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000184735211 144098408 /nfs/dbraw/zinc/09/84/08/144098408.db2.gz SBHLQEVBNZQHLV-HNNXBMFYSA-N 1 1 328.416 3.091 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000185433007 144112375 /nfs/dbraw/zinc/11/23/75/144112375.db2.gz HTXDODCGKRNIFU-AEFFLSMTSA-N 1 1 347.459 3.106 10 5 EGBEMO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347004553 156240154 /nfs/dbraw/zinc/24/01/54/156240154.db2.gz CCRJDGOOZSCWRA-AWEZNQCLSA-N 1 1 345.424 3.118 10 5 EGBEMO COCC[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000368770937 157286260 /nfs/dbraw/zinc/28/62/60/157286260.db2.gz UFMMNBNZEKMPPU-HNNXBMFYSA-N 1 1 349.431 3.062 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000249106317 163057072 /nfs/dbraw/zinc/05/70/72/163057072.db2.gz QLCWQNLGJMBRIG-HOCLYGCPSA-N 1 1 348.447 3.406 10 5 EGBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337238861 163174499 /nfs/dbraw/zinc/17/44/99/163174499.db2.gz DKMLWFMXVMMKIB-UHFFFAOYSA-N 1 1 348.790 3.266 10 5 EGBEMO COc1ccc(OCC[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000351970583 165174160 /nfs/dbraw/zinc/17/41/60/165174160.db2.gz FRUSTWPTQQJMAP-UHFFFAOYSA-N 1 1 346.383 3.123 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367436666 168225168 /nfs/dbraw/zinc/22/51/68/168225168.db2.gz GYNCLOBFBLZOGR-MRXNPFEDSA-N 1 1 342.342 3.199 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367436666 168225171 /nfs/dbraw/zinc/22/51/71/168225171.db2.gz GYNCLOBFBLZOGR-MRXNPFEDSA-N 1 1 342.342 3.199 10 5 EGBEMO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C ZINC000339112728 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VSHVIACDZVNEIH-ZWKOTPCHSA-N 1 1 347.365 3.408 10 5 EGBEMO CN1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000289459008 276342257 /nfs/dbraw/zinc/34/22/57/276342257.db2.gz VSHVIACDZVNEIH-ZWKOTPCHSA-N 1 1 347.365 3.408 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341231263 276377050 /nfs/dbraw/zinc/37/70/50/276377050.db2.gz UZPVGCAHUNMTTG-GASCZTMLSA-N 1 1 335.448 3.346 10 5 EGBEMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000289755377 276388796 /nfs/dbraw/zinc/38/87/96/276388796.db2.gz RLDAUGVSJMAKCK-QWRGUYRKSA-N 1 1 340.811 3.195 10 5 EGBEMO CC(C)[N@H+](CC(=O)NC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350483 307356935 /nfs/dbraw/zinc/35/69/35/307356935.db2.gz QZRCGEKGTHKBGR-UHFFFAOYSA-N 1 1 333.432 3.254 10 5 EGBEMO CC(C)[N@@H+](CC(=O)NC1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350483 307356936 /nfs/dbraw/zinc/35/69/36/307356936.db2.gz QZRCGEKGTHKBGR-UHFFFAOYSA-N 1 1 333.432 3.254 10 5 EGBEMO CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414133068 309062632 /nfs/dbraw/zinc/06/26/32/309062632.db2.gz ATCJAJNRYOYNAL-JFIYKMOQSA-N 1 1 330.384 3.343 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248388377 308001739 /nfs/dbraw/zinc/00/17/39/308001739.db2.gz DSDQLCMPKIBWAL-KYJSFNMBSA-N 1 1 347.459 3.008 10 5 EGBEMO Cc1cc(Cc2noc([C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)ccc1[N+](=O)[O-] ZINC000420486403 309287964 /nfs/dbraw/zinc/28/79/64/309287964.db2.gz FCJWXRQPMOAAOW-JSGCOSHPSA-N 1 1 330.388 3.075 10 5 EGBEMO Cc1ccc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449663242 310078531 /nfs/dbraw/zinc/07/85/31/310078531.db2.gz JFIGNHRIMPPBAY-GFCCVEGCSA-N 1 1 345.365 3.219 10 5 EGBEMO Cc1ccc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449663242 310078532 /nfs/dbraw/zinc/07/85/32/310078532.db2.gz JFIGNHRIMPPBAY-GFCCVEGCSA-N 1 1 345.365 3.219 10 5 EGBEMO COc1ccc(C[NH+]2CCC(F)(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000450929837 310150391 /nfs/dbraw/zinc/15/03/91/310150391.db2.gz KGALMNRJXFSCFS-UHFFFAOYSA-N 1 1 345.374 3.459 10 5 EGBEMO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560845 310186478 /nfs/dbraw/zinc/18/64/78/310186478.db2.gz IJBRZMZBGJXRJI-OAHLLOKOSA-N 1 1 333.432 3.079 10 5 EGBEMO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560845 310186479 /nfs/dbraw/zinc/18/64/79/310186479.db2.gz IJBRZMZBGJXRJI-OAHLLOKOSA-N 1 1 333.432 3.079 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451866425 310201133 /nfs/dbraw/zinc/20/11/33/310201133.db2.gz BJGGELKWBUVECE-CHWSQXEVSA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451866425 310201134 /nfs/dbraw/zinc/20/11/34/310201134.db2.gz BJGGELKWBUVECE-CHWSQXEVSA-N 1 1 345.365 3.472 10 5 EGBEMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000452028748 310208206 /nfs/dbraw/zinc/20/82/06/310208206.db2.gz COFQNJKGNJDKDS-UHFFFAOYSA-N 1 1 345.365 3.096 10 5 EGBEMO CC(C)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000452107181 310212597 /nfs/dbraw/zinc/21/25/97/310212597.db2.gz RQRRHKRDLQGPPK-OAHLLOKOSA-N 1 1 336.432 3.234 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000487718754 311035292 /nfs/dbraw/zinc/03/52/92/311035292.db2.gz FPWCMGUGUHEQAR-GJZGRUSLSA-N 1 1 348.447 3.138 10 5 EGBEMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488126854 311052384 /nfs/dbraw/zinc/05/23/84/311052384.db2.gz OEDGVUDEIOYCGK-OAHLLOKOSA-N 1 1 340.427 3.311 10 5 EGBEMO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000515870311 312302051 /nfs/dbraw/zinc/30/20/51/312302051.db2.gz VLMLFNJGPLFCRM-UKRRQHHQSA-N 1 1 331.416 3.057 10 5 EGBEMO C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000538228292 314233825 /nfs/dbraw/zinc/23/38/25/314233825.db2.gz SGXATDVEFOUTMN-AWEZNQCLSA-N 1 1 333.432 3.284 10 5 EGBEMO CN1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000552283384 315211033 /nfs/dbraw/zinc/21/10/33/315211033.db2.gz BLUBVBBRLPKOOR-JYJNAYRXSA-N 1 1 337.851 3.253 10 5 EGBEMO CN1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCC[C@@H]21 ZINC000580494142 325256486 /nfs/dbraw/zinc/25/64/86/325256486.db2.gz ZCDNUKQNNGYXLE-SNRMKQJTSA-N 1 1 342.443 3.081 10 5 EGBEMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000581081675 325328699 /nfs/dbraw/zinc/32/86/99/325328699.db2.gz CLGMXPMNLAIKLC-WDEREUQCSA-N 1 1 334.401 3.119 10 5 EGBEMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425430427 457550861 /nfs/dbraw/zinc/55/08/61/457550861.db2.gz FMTOYJUUPSZOGQ-ZDUSSCGKSA-N 1 1 345.237 3.196 10 5 EGBEMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000183123000 455233413 /nfs/dbraw/zinc/23/34/13/455233413.db2.gz YEQVWRVNFBZKDC-IWBYOKNISA-N 1 1 332.425 3.365 10 5 EGBEMO Cc1nsc(N2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000075967715 453943606 /nfs/dbraw/zinc/94/36/06/453943606.db2.gz IFKRAVLHWXHADM-LBPRGKRZSA-N 1 1 347.444 3.028 10 5 EGBEMO Cc1nsc(N2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000075967715 453943609 /nfs/dbraw/zinc/94/36/09/453943609.db2.gz IFKRAVLHWXHADM-LBPRGKRZSA-N 1 1 347.444 3.028 10 5 EGBEMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000041888286 453982867 /nfs/dbraw/zinc/98/28/67/453982867.db2.gz VHLRCTIWGASMKN-UHFFFAOYSA-N 1 1 331.347 3.195 10 5 EGBEMO Cc1csc(N2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000058168043 454167928 /nfs/dbraw/zinc/16/79/28/454167928.db2.gz UXOISYHUQSAUCL-UHFFFAOYSA-N 1 1 346.456 3.115 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000120404980 454297119 /nfs/dbraw/zinc/29/71/19/454297119.db2.gz GTXUGHGGJUOIKE-IUODEOHRSA-N 1 1 334.420 3.097 10 5 EGBEMO Cc1[nH+]ccn1-c1ncccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000047174386 454335795 /nfs/dbraw/zinc/33/57/95/454335795.db2.gz WQWKYSNLFXRKJR-CMDGGOBGSA-N 1 1 349.350 3.136 10 5 EGBEMO COc1ccc(-c2ccc(CNC[C@@H]3CCC[N@@H+]3C)o2)c([N+](=O)[O-])c1 ZINC000102424817 454505284 /nfs/dbraw/zinc/50/52/84/454505284.db2.gz JGSJMHPLKZJQBU-ZDUSSCGKSA-N 1 1 345.399 3.047 10 5 EGBEMO COc1ccc(-c2ccc(CNC[C@@H]3CCC[N@H+]3C)o2)c([N+](=O)[O-])c1 ZINC000102424817 454505287 /nfs/dbraw/zinc/50/52/87/454505287.db2.gz JGSJMHPLKZJQBU-ZDUSSCGKSA-N 1 1 345.399 3.047 10 5 EGBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)no1 ZINC000092813904 454640850 /nfs/dbraw/zinc/64/08/50/454640850.db2.gz CNQLWZUASKMHDB-CQSZACIVSA-N 1 1 330.388 3.049 10 5 EGBEMO Cc1nc(CN2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000105866457 454661576 /nfs/dbraw/zinc/66/15/76/454661576.db2.gz FRALGMPAONTMNK-UHFFFAOYSA-N 1 1 346.456 3.068 10 5 EGBEMO Cc1nc(CN2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)cs1 ZINC000105866457 454661580 /nfs/dbraw/zinc/66/15/80/454661580.db2.gz FRALGMPAONTMNK-UHFFFAOYSA-N 1 1 346.456 3.068 10 5 EGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000105896015 454665440 /nfs/dbraw/zinc/66/54/40/454665440.db2.gz DOARICAXSBMVOL-INIZCTEOSA-N 1 1 344.415 3.161 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)nc1 ZINC000093534441 454720494 /nfs/dbraw/zinc/72/04/94/454720494.db2.gz QCRVWVSQZJIRLX-BQFCYCMXSA-N 1 1 338.411 3.280 10 5 EGBEMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179467481 455050283 /nfs/dbraw/zinc/05/02/83/455050283.db2.gz UJXHRFVJCGHSQX-HNNXBMFYSA-N 1 1 329.404 3.147 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179467481 455050287 /nfs/dbraw/zinc/05/02/87/455050287.db2.gz UJXHRFVJCGHSQX-HNNXBMFYSA-N 1 1 329.404 3.147 10 5 EGBEMO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC000292736098 455743832 /nfs/dbraw/zinc/74/38/32/455743832.db2.gz GURJMRXANNIONO-LSDHHAIUSA-N 1 1 342.342 3.089 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC000292736098 455743834 /nfs/dbraw/zinc/74/38/34/455743834.db2.gz GURJMRXANNIONO-LSDHHAIUSA-N 1 1 342.342 3.089 10 5 EGBEMO CO[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C ZINC000252005477 455801778 /nfs/dbraw/zinc/80/17/78/455801778.db2.gz WYZHLMZHRJDZAQ-YWPYICTPSA-N 1 1 346.387 3.063 10 5 EGBEMO CO[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1C ZINC000252005477 455801782 /nfs/dbraw/zinc/80/17/82/455801782.db2.gz WYZHLMZHRJDZAQ-YWPYICTPSA-N 1 1 346.387 3.063 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000255493800 455868304 /nfs/dbraw/zinc/86/83/04/455868304.db2.gz OQDDKICIXYDBLH-GMNBZTITSA-N 1 1 338.411 3.437 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000301439138 456116401 /nfs/dbraw/zinc/11/64/01/456116401.db2.gz LRRKAOKHHRMRRJ-GFCCVEGCSA-N 1 1 325.384 3.419 10 5 EGBEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348226676 456548602 /nfs/dbraw/zinc/54/86/02/456548602.db2.gz IBHMTHZXEODMPT-MFKMUULPSA-N 1 1 345.321 3.196 10 5 EGBEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348226674 456548773 /nfs/dbraw/zinc/54/87/73/456548773.db2.gz IBHMTHZXEODMPT-GWCFXTLKSA-N 1 1 345.321 3.196 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cs1 ZINC000291356092 456617539 /nfs/dbraw/zinc/61/75/39/456617539.db2.gz XUQXPEMKGLIRED-SFHVURJKSA-N 1 1 346.452 3.474 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cs1 ZINC000291356092 456617546 /nfs/dbraw/zinc/61/75/46/456617546.db2.gz XUQXPEMKGLIRED-SFHVURJKSA-N 1 1 346.452 3.474 10 5 EGBEMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000326741601 456699529 /nfs/dbraw/zinc/69/95/29/456699529.db2.gz VANWISBXCQXEFP-ZMSDIMECSA-N 1 1 334.416 3.119 10 5 EGBEMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000340897946 456748389 /nfs/dbraw/zinc/74/83/89/456748389.db2.gz KMUQNFHBPMSCCN-NEPJUHHUSA-N 1 1 331.347 3.412 10 5 EGBEMO CO[C@H](C)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353766705 456897972 /nfs/dbraw/zinc/89/79/72/456897972.db2.gz IBEMUHHRKJUYRE-CQSZACIVSA-N 1 1 346.431 3.241 10 5 EGBEMO CO[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C ZINC000339112729 456946422 /nfs/dbraw/zinc/94/64/22/456946422.db2.gz SCXKBACBFWJELH-YGRLFVJLSA-N 1 1 332.322 3.470 10 5 EGBEMO CO[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C ZINC000339112729 456946425 /nfs/dbraw/zinc/94/64/25/456946425.db2.gz SCXKBACBFWJELH-YGRLFVJLSA-N 1 1 332.322 3.470 10 5 EGBEMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374780090 457705630 /nfs/dbraw/zinc/70/56/30/457705630.db2.gz QMTXCYMLJQFFLA-GOOCMWNKSA-N 1 1 344.390 3.378 10 5 EGBEMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000374850464 457720083 /nfs/dbraw/zinc/72/00/83/457720083.db2.gz MGAVRXJTZKQHKS-ZXFUBFMLSA-N 1 1 326.400 3.239 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2cccc(Nc3ncc([N+](=O)[O-])s3)c2)C[C@H](C)O1 ZINC000443517580 457775033 /nfs/dbraw/zinc/77/50/33/457775033.db2.gz ISZUAKRELDLQBT-TXEJJXNPSA-N 1 1 348.428 3.404 10 5 EGBEMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ncc([N+](=O)[O-])s3)c2)C[C@H](C)O1 ZINC000443517580 457775038 /nfs/dbraw/zinc/77/50/38/457775038.db2.gz ISZUAKRELDLQBT-TXEJJXNPSA-N 1 1 348.428 3.404 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375432257 457929329 /nfs/dbraw/zinc/92/93/29/457929329.db2.gz YJNCYOCUKFTASX-GFCCVEGCSA-N 1 1 348.790 3.498 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375432257 457929340 /nfs/dbraw/zinc/92/93/40/457929340.db2.gz YJNCYOCUKFTASX-GFCCVEGCSA-N 1 1 348.790 3.498 10 5 EGBEMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000547767795 458788994 /nfs/dbraw/zinc/78/89/94/458788994.db2.gz JYWFNIQQYUVSII-NSHDSACASA-N 1 1 332.331 3.371 10 5 EGBEMO O=[N+]([O-])c1ccc(OCC[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000441458565 458948261 /nfs/dbraw/zinc/94/82/61/458948261.db2.gz OXWFVMPXWLNGOF-GOSISDBHSA-N 1 1 334.416 3.397 10 5 EGBEMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478047035 459075255 /nfs/dbraw/zinc/07/52/55/459075255.db2.gz LACHIXZXYDDPFT-INIZCTEOSA-N 1 1 334.395 3.130 10 5 EGBEMO C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592845 459102639 /nfs/dbraw/zinc/10/26/39/459102639.db2.gz ZFXVFURIWZTRJX-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000577969230 459125056 /nfs/dbraw/zinc/12/50/56/459125056.db2.gz CNGVURHHNVSNIO-LBPRGKRZSA-N 1 1 339.823 3.017 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595080164 459239518 /nfs/dbraw/zinc/23/95/18/459239518.db2.gz OEFFLJMHYXMAHX-ZFWWWQNUSA-N 1 1 336.342 3.053 10 5 EGBEMO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000523798946 459333286 /nfs/dbraw/zinc/33/32/86/459333286.db2.gz KINXBZBWMYOHML-AWEZNQCLSA-N 1 1 348.447 3.220 10 5 EGBEMO Cc1noc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c1[N+](=O)[O-] ZINC000595561293 459347232 /nfs/dbraw/zinc/34/72/32/459347232.db2.gz FDJRIEKDQFYUJF-MRXNPFEDSA-N 1 1 345.399 3.054 10 5 EGBEMO Cc1noc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c1[N+](=O)[O-] ZINC000595561293 459347240 /nfs/dbraw/zinc/34/72/40/459347240.db2.gz FDJRIEKDQFYUJF-MRXNPFEDSA-N 1 1 345.399 3.054 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](CCF)C3)o2)cc1 ZINC000595754779 459426959 /nfs/dbraw/zinc/42/69/59/459426959.db2.gz BULYXKDKUJFSQN-GFCCVEGCSA-N 1 1 334.351 3.216 10 5 EGBEMO COc1cc(C[N@H+]2CCCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000485747734 459468325 /nfs/dbraw/zinc/46/83/25/459468325.db2.gz VYRKWHGHXZUSOO-UHFFFAOYSA-N 1 1 341.411 3.316 10 5 EGBEMO Cc1ccnc([C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000572852823 459586204 /nfs/dbraw/zinc/58/62/04/459586204.db2.gz OBHXREGNSKIGGG-OAHLLOKOSA-N 1 1 327.384 3.167 10 5 EGBEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592770753 459687094 /nfs/dbraw/zinc/68/70/94/459687094.db2.gz CNLLZZVHWKNLHN-KBPBESRZSA-N 1 1 344.415 3.491 10 5 EGBEMO CC[N@@H+](CCNc1c(OC)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000574464975 459822906 /nfs/dbraw/zinc/82/29/06/459822906.db2.gz ZOWMTNJILCDEDS-UHFFFAOYSA-N 1 1 335.326 3.290 10 5 EGBEMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000589349845 460077258 /nfs/dbraw/zinc/07/72/58/460077258.db2.gz TZFGAOIOCNCGIP-OLZOCXBDSA-N 1 1 346.456 3.336 10 5 EGBEMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000599139322 460173019 /nfs/dbraw/zinc/17/30/19/460173019.db2.gz KBHGEIIJESQPOI-ZDUSSCGKSA-N 1 1 333.413 3.351 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000599139322 460173024 /nfs/dbraw/zinc/17/30/24/460173024.db2.gz KBHGEIIJESQPOI-ZDUSSCGKSA-N 1 1 333.413 3.351 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccccn3)C3CCC3)nc2c1 ZINC000599574610 460277849 /nfs/dbraw/zinc/27/78/49/460277849.db2.gz WCIFHMKGCDYVLE-SFHVURJKSA-N 1 1 337.383 3.497 10 5 EGBEMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599621301 460289099 /nfs/dbraw/zinc/28/90/99/460289099.db2.gz IIWCHJFEBOGKKD-MRXNPFEDSA-N 1 1 332.379 3.199 10 5 EGBEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673378 460305544 /nfs/dbraw/zinc/30/55/44/460305544.db2.gz QBBCSXPQISSECT-ZDUSSCGKSA-N 1 1 347.415 3.197 10 5 EGBEMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000611623338 460417413 /nfs/dbraw/zinc/41/74/13/460417413.db2.gz ZAAQCPSCRFPNCA-ACJLOTCBSA-N 1 1 332.400 3.378 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000601288858 460777718 /nfs/dbraw/zinc/77/77/18/460777718.db2.gz DMFXPFGJYFQERR-HOTGVXAUSA-N 1 1 326.400 3.340 10 5 EGBEMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357931000 535233678 /nfs/dbraw/zinc/23/36/78/535233678.db2.gz GMRJOECMBSBFLA-KGLIPLIRSA-N 1 1 336.436 3.075 10 5 EGBEMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCc2ccccc2C1 ZINC000733991945 575424076 /nfs/dbraw/zinc/42/40/76/575424076.db2.gz JLLWFKQFMYVUBL-QGZVFWFLSA-N 1 1 336.395 3.391 10 5 EGBEMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000735221506 575618236 /nfs/dbraw/zinc/61/82/36/575618236.db2.gz PQNIVYYZKJIVJY-OAHLLOKOSA-N 1 1 344.342 3.165 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1Cl ZINC000871157899 1296244677 /nfs/dbraw/zinc/24/46/77/1296244677.db2.gz XZFYSNXZBWVGLZ-UHFFFAOYSA-N 1 1 339.823 3.113 10 5 EGBEMO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031238 1296679875 /nfs/dbraw/zinc/67/98/75/1296679875.db2.gz NACDGWGBCOPVOJ-CYBMUJFWSA-N 1 1 337.395 3.177 10 5 EGBEMO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000872061524 1296709296 /nfs/dbraw/zinc/70/92/96/1296709296.db2.gz FRCXYGFPGJCEDI-RMIITELYSA-N 1 1 338.379 3.111 10 5 EGBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000882120576 1301838339 /nfs/dbraw/zinc/83/83/39/1301838339.db2.gz XMEQTCJXMXWNCL-HOCLYGCPSA-N 1 1 343.427 3.251 10 5 EGBEMO Cc1ccnc(N)c1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000894904273 1309122347 /nfs/dbraw/zinc/12/23/47/1309122347.db2.gz NZMYJQUCZZBHBG-OAHLLOKOSA-N 1 1 326.400 3.260 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858011107 1328656681 /nfs/dbraw/zinc/65/66/81/1328656681.db2.gz KDWOIFWYOQRIQV-AATOQMJSSA-N 1 1 339.395 3.465 10 5 EGBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000930085193 1328781147 /nfs/dbraw/zinc/78/11/47/1328781147.db2.gz APWDRZPSFHAWLM-AWEZNQCLSA-N 1 1 336.436 3.039 10 5 EGBEMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000930085193 1328781149 /nfs/dbraw/zinc/78/11/49/1328781149.db2.gz APWDRZPSFHAWLM-AWEZNQCLSA-N 1 1 336.436 3.039 10 5 EGBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@H](C(F)(F)F)O1 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ZINC000859719454 1329062946 /nfs/dbraw/zinc/06/29/46/1329062946.db2.gz KMTSCXWGSCWGRR-AWEZNQCLSA-N 1 1 341.411 3.162 10 5 EGBEMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccnnc1 ZINC000926301312 1325507557 /nfs/dbraw/zinc/50/75/57/1325507557.db2.gz FYOCJZYEZNXMAY-SECBINFHSA-N 1 1 326.278 3.254 10 5 EGBEMO C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000927026789 1327825626 /nfs/dbraw/zinc/82/56/26/1327825626.db2.gz GRGVEDQMAXMISM-XPKDYRNWSA-N 1 1 346.456 3.291 10 5 EGBEMO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787689 1329738664 /nfs/dbraw/zinc/73/86/64/1329738664.db2.gz RDFNPZKTUPNUMK-UHFFFAOYSA-N 1 1 346.383 3.184 10 5 EGBEMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000866195199 1330076506 /nfs/dbraw/zinc/07/65/06/1330076506.db2.gz OYVVBDKUCJIMGT-CYBMUJFWSA-N 1 1 341.396 3.198 10 5 EGBEMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000866195199 1330076509 /nfs/dbraw/zinc/07/65/09/1330076509.db2.gz OYVVBDKUCJIMGT-CYBMUJFWSA-N 1 1 341.396 3.198 10 5 EGBEMO CC[C@@H]1CCCC[N@H+]1CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001185323568 1387683404 /nfs/dbraw/zinc/68/34/04/1387683404.db2.gz QRGGOCWHXOOGIQ-CQSZACIVSA-N 1 1 346.406 3.380 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001185685679 1387778519 /nfs/dbraw/zinc/77/85/19/1387778519.db2.gz RFTRYRGCTBFIHI-UKRRQHHQSA-N 1 1 339.823 3.304 10 5 EGBEMO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC001191204681 1367445041 /nfs/dbraw/zinc/44/50/41/1367445041.db2.gz URSSYQGYZUBGEY-TXEJJXNPSA-N 1 1 325.206 3.445 10 5 EGBEMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC001191204681 1367445042 /nfs/dbraw/zinc/44/50/42/1367445042.db2.gz URSSYQGYZUBGEY-TXEJJXNPSA-N 1 1 325.206 3.445 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195307716 1368417801 /nfs/dbraw/zinc/41/78/01/1368417801.db2.gz VUQRFRQAIYUMFW-UKRRQHHQSA-N 1 1 331.416 3.434 10 5 EGBEMO C[C@@](CO)([NH2+]Cc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC001196908098 1368711963 /nfs/dbraw/zinc/71/19/63/1368711963.db2.gz PJDKGKCPFQSDLV-SFHVURJKSA-N 1 1 326.352 3.338 10 5 EGBEMO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001118811552 1371234666 /nfs/dbraw/zinc/23/46/66/1371234666.db2.gz BVKBKDOBWXQIAU-HNNXBMFYSA-N 1 1 339.395 3.058 10 5 EGBEMO COc1cc(NCC[N@H+]2CCC(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC001187860841 1388179911 /nfs/dbraw/zinc/17/99/11/1388179911.db2.gz DIRZMPAJADQJDG-UHFFFAOYSA-N 1 1 327.812 3.401 10 5 EGBEMO Cc1cc(C)c(CS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)[nH+]1 ZINC001188324846 1388290966 /nfs/dbraw/zinc/29/09/66/1388290966.db2.gz UMGKOVXBFUGTDG-UHFFFAOYSA-N 1 1 334.397 3.197 10 5 EGBEMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001148757261 1379262236 /nfs/dbraw/zinc/26/22/36/1379262236.db2.gz FUTXHNSCAOYIHO-CQSZACIVSA-N 1 1 333.432 3.106 10 5 EGBEMO CC/C=C(\C)C(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001284888001 1380296624 /nfs/dbraw/zinc/29/66/24/1380296624.db2.gz BAZIAAVFUMYGCE-PJQLUOCWSA-N 1 1 343.427 3.199 10 5 EGBEMO CC/C=C(\C)C(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001284888001 1380296625 /nfs/dbraw/zinc/29/66/25/1380296625.db2.gz BAZIAAVFUMYGCE-PJQLUOCWSA-N 1 1 343.427 3.199 10 5 EGBEMO C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001163617168 1383089386 /nfs/dbraw/zinc/08/93/86/1383089386.db2.gz CRCKIFIFXQOXPQ-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001163617169 1383090015 /nfs/dbraw/zinc/09/00/15/1383090015.db2.gz CRCKIFIFXQOXPQ-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO C[N@H+]1CCCC[C@@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001164294180 1383175206 /nfs/dbraw/zinc/17/52/06/1383175206.db2.gz JBOLJGLMRXHOBU-SNVBAGLBSA-N 1 1 335.795 3.088 10 5 EGBEMO COc1cccc(C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC(C)C)c1 ZINC001167199262 1383564579 /nfs/dbraw/zinc/56/45/79/1383564579.db2.gz JDJGGJYKPAKPCH-UHFFFAOYSA-N 1 1 346.431 3.267 10 5 EGBEMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001307184221 1383952360 /nfs/dbraw/zinc/95/23/60/1383952360.db2.gz IXQGLZPURPFTHN-MRXNPFEDSA-N 1 1 343.431 3.185 10 5 EGBEMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001307970257 1384066634 /nfs/dbraw/zinc/06/66/34/1384066634.db2.gz HEAWDBKQNYLWON-VIFPVBQESA-N 1 1 331.303 3.432 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1C(C)(C)C1(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001316821577 1384616990 /nfs/dbraw/zinc/61/69/90/1384616990.db2.gz YMYUIRISMQPQAB-UHFFFAOYSA-N 1 1 347.459 3.215 10 5 EGBEMO CC[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001174622797 1385127320 /nfs/dbraw/zinc/12/73/20/1385127320.db2.gz NIVBZNNTQBXKSA-ZIAGYGMSSA-N 1 1 349.431 3.443 10 5 EGBEMO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001321352239 1386883808 /nfs/dbraw/zinc/88/38/08/1386883808.db2.gz DWXKQKIDEAYWOG-NSCUHMNNSA-N 1 1 345.424 3.041 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cc(C)oc2C)c1 ZINC001346118695 1390909049 /nfs/dbraw/zinc/90/90/49/1390909049.db2.gz WGGIGJUPMMJWDY-LLVKDONJSA-N 1 1 332.356 3.442 10 5 EGBEMO C[N@H+](CCNC(=O)C1(C2CCC2)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480897024 1393006925 /nfs/dbraw/zinc/00/69/25/1393006925.db2.gz ZXQYGSGSXQNETM-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO C[N@@H+](CCNC(=O)C1(C2CCC2)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480897024 1393006928 /nfs/dbraw/zinc/00/69/28/1393006928.db2.gz ZXQYGSGSXQNETM-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1C ZINC001480942135 1393037180 /nfs/dbraw/zinc/03/71/80/1393037180.db2.gz WXIGGTGBZSBJIQ-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO Cc1cccc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1C ZINC001480942135 1393037183 /nfs/dbraw/zinc/03/71/83/1393037183.db2.gz WXIGGTGBZSBJIQ-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1ccsc1)Cc1cccc([N+](=O)[O-])c1 ZINC001689917215 1404207424 /nfs/dbraw/zinc/20/74/24/1404207424.db2.gz LRZIDMQSMQXKGD-UHFFFAOYSA-N 1 1 347.440 3.298 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1occc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001689918736 1404208818 /nfs/dbraw/zinc/20/88/18/1404208818.db2.gz OOJAFFAINOUHGD-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO O=C(NCCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1)C1=CCCC1 ZINC001689983248 1404241075 /nfs/dbraw/zinc/24/10/75/1404241075.db2.gz HKEFNXRHSRXVEZ-UHFFFAOYSA-N 1 1 349.456 3.237 10 5 EGBEMO O=C(NCCC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1)C1=CCCC1 ZINC001689983248 1404241079 /nfs/dbraw/zinc/24/10/79/1404241079.db2.gz HKEFNXRHSRXVEZ-UHFFFAOYSA-N 1 1 349.456 3.237 10 5 EGBEMO CC(C)C(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001715838297 1420362714 /nfs/dbraw/zinc/36/27/14/1420362714.db2.gz CDMXANTZAGFXJV-UHFFFAOYSA-N 1 1 335.448 3.167 10 5 EGBEMO Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001731279629 1427223899 /nfs/dbraw/zinc/22/38/99/1427223899.db2.gz LGQJPXWFXOWNEE-UHFFFAOYSA-N 1 1 341.411 3.155 10 5 EGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000159849259 206266670 /nfs/dbraw/zinc/26/66/70/206266670.db2.gz RJWKVYYRUHGVRI-UHFFFAOYSA-N 1 1 345.399 3.184 10 5 EGBEMO Cc1ccc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)cc1[N+](=O)[O-] ZINC000185056269 144103968 /nfs/dbraw/zinc/10/39/68/144103968.db2.gz JRAQIUMDKWJCKO-LBPRGKRZSA-N 1 1 341.371 3.143 10 5 EGBEMO C[C@@H](NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341108266 155162694 /nfs/dbraw/zinc/16/26/94/155162694.db2.gz HZMYLOZUOOEAOS-QLFBSQMISA-N 1 1 348.447 3.218 10 5 EGBEMO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000337313485 154277588 /nfs/dbraw/zinc/27/75/88/154277588.db2.gz GYFNUWGVXGLMLI-OAHLLOKOSA-N 1 1 349.431 3.205 10 5 EGBEMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000127100118 162321499 /nfs/dbraw/zinc/32/14/99/162321499.db2.gz JTIJCDWCPHFGEH-QGZVFWFLSA-N 1 1 343.431 3.222 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000249102559 163056419 /nfs/dbraw/zinc/05/64/19/163056419.db2.gz PSYQVRNUVUQCKV-GJZGRUSLSA-N 1 1 346.431 3.302 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359557214 167192358 /nfs/dbraw/zinc/19/23/58/167192358.db2.gz MYMHYWAPLJIPQV-FZKQIMNGSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359557214 167192359 /nfs/dbraw/zinc/19/23/59/167192359.db2.gz MYMHYWAPLJIPQV-FZKQIMNGSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1ccc(CN[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000185686407 275215999 /nfs/dbraw/zinc/21/59/99/275215999.db2.gz BKTBBJDWDNTAEA-KUHUBIRLSA-N 1 1 343.427 3.384 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000265996436 276224073 /nfs/dbraw/zinc/22/40/73/276224073.db2.gz NXBULZJRJZEWCL-WFASDCNBSA-N 1 1 345.399 3.143 10 5 EGBEMO CCC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000090223195 276272368 /nfs/dbraw/zinc/27/23/68/276272368.db2.gz XKXIFDOHWSTMJE-CVEARBPZSA-N 1 1 329.404 3.461 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@]34CCOC4)o2)c([N+](=O)[O-])c1 ZINC000421401707 309323037 /nfs/dbraw/zinc/32/30/37/309323037.db2.gz USHJSEPOBOGXIF-SFHVURJKSA-N 1 1 344.367 3.228 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449419012 310060318 /nfs/dbraw/zinc/06/03/18/310060318.db2.gz GKSCSXZOLAEASY-RTBURBONSA-N 1 1 344.386 3.203 10 5 EGBEMO Cc1cc(NC2CC[NH+](C3CCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450874838 310147108 /nfs/dbraw/zinc/14/71/08/310147108.db2.gz GZWNFGWUKBXECJ-UHFFFAOYSA-N 1 1 340.427 3.302 10 5 EGBEMO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000487995477 311046571 /nfs/dbraw/zinc/04/65/71/311046571.db2.gz ASSIYFAAUYSHKB-UHFFFAOYSA-N 1 1 345.374 3.137 10 5 EGBEMO Cc1cc(F)ccc1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000487995477 311046574 /nfs/dbraw/zinc/04/65/74/311046574.db2.gz ASSIYFAAUYSHKB-UHFFFAOYSA-N 1 1 345.374 3.137 10 5 EGBEMO C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000517473984 312380088 /nfs/dbraw/zinc/38/00/88/312380088.db2.gz QSCCSFSHODTUGQ-ZDUSSCGKSA-N 1 1 337.379 3.298 10 5 EGBEMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000068366460 454020818 /nfs/dbraw/zinc/02/08/18/454020818.db2.gz KSIPFAGHANABKG-UHFFFAOYSA-N 1 1 331.372 3.265 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000093970186 454181705 /nfs/dbraw/zinc/18/17/05/454181705.db2.gz AWBKCGDLKLMIHX-CQSZACIVSA-N 1 1 333.432 3.124 10 5 EGBEMO COc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000095432540 454211925 /nfs/dbraw/zinc/21/19/25/454211925.db2.gz PZBRCUUCGLBWSR-GUYCJALGSA-N 1 1 330.384 3.330 10 5 EGBEMO Cc1[nH]c(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095976603 454247128 /nfs/dbraw/zinc/24/71/28/454247128.db2.gz CILABTHQFNHAID-CVEARBPZSA-N 1 1 344.415 3.029 10 5 EGBEMO COc1cc(C[N@@H+]2CCCSCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000089981821 454253834 /nfs/dbraw/zinc/25/38/34/454253834.db2.gz WODSPWFXLYUSGB-UHFFFAOYSA-N 1 1 348.371 3.144 10 5 EGBEMO COc1cc(C[N@H+]2CCCSCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000089981821 454253836 /nfs/dbraw/zinc/25/38/36/454253836.db2.gz WODSPWFXLYUSGB-UHFFFAOYSA-N 1 1 348.371 3.144 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091478159 454439819 /nfs/dbraw/zinc/43/98/19/454439819.db2.gz CHMWQHAANFFKSZ-IYBDPMFKSA-N 1 1 347.459 3.229 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000091737355 454464840 /nfs/dbraw/zinc/46/48/40/454464840.db2.gz MAIWKBHHARITLU-UKRRQHHQSA-N 1 1 333.432 3.075 10 5 EGBEMO CCc1ccc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)s1 ZINC000074764832 454630981 /nfs/dbraw/zinc/63/09/81/454630981.db2.gz PQWBZZUPMCWXDF-UHFFFAOYSA-N 1 1 346.456 3.244 10 5 EGBEMO Cc1sc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000149370239 454876030 /nfs/dbraw/zinc/87/60/30/454876030.db2.gz AESGFFZFPXJVSN-LBPRGKRZSA-N 1 1 339.461 3.349 10 5 EGBEMO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000154952021 454947195 /nfs/dbraw/zinc/94/71/95/454947195.db2.gz BWENQRIHQCRVSJ-CQSZACIVSA-N 1 1 333.432 3.194 10 5 EGBEMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179012781 454999306 /nfs/dbraw/zinc/99/93/06/454999306.db2.gz MSGHLICXYINZNH-IRXDYDNUSA-N 1 1 340.383 3.162 10 5 EGBEMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000182902389 455188061 /nfs/dbraw/zinc/18/80/61/455188061.db2.gz VOEDNQRETSMVRC-OKACTXMXSA-N 1 1 345.443 3.188 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[N@H+]4CCC[C@H]4C3)o2)c1 ZINC000245739363 455369695 /nfs/dbraw/zinc/36/96/95/455369695.db2.gz LKODGBSRYRAKAV-INIZCTEOSA-N 1 1 327.384 3.135 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182085226 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LTCAKSHQAQGTRK-UHFFFAOYSA-N 1 1 337.383 3.489 10 5 EGBEMO COc1ccc(-c2ccc(C[N@@H+](C)CC3(CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000438337810 458565886 /nfs/dbraw/zinc/56/58/86/458565886.db2.gz NOBWGRISXYWWOI-UHFFFAOYSA-N 1 1 346.383 3.068 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000475747166 458963863 /nfs/dbraw/zinc/96/38/63/458963863.db2.gz JRZOKUSYFMBLEZ-MCIONIFRSA-N 1 1 349.431 3.298 10 5 EGBEMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000441636308 458965614 /nfs/dbraw/zinc/96/56/14/458965614.db2.gz RPLKGYPTDQHUPQ-INIZCTEOSA-N 1 1 333.432 3.458 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000595040297 459225391 /nfs/dbraw/zinc/22/53/91/459225391.db2.gz XGDVBINSJULHEJ-LBPRGKRZSA-N 1 1 344.415 3.067 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000595101351 459245443 /nfs/dbraw/zinc/24/54/43/459245443.db2.gz DPMUZNJDOLOVHK-JCGVRSQUSA-N 1 1 330.384 3.376 10 5 EGBEMO CCc1nc([C@H](C)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000595519748 459331748 /nfs/dbraw/zinc/33/17/48/459331748.db2.gz CCDWIPVCKZDLEF-GXTWGEPZSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519748 459331751 /nfs/dbraw/zinc/33/17/51/459331751.db2.gz CCDWIPVCKZDLEF-GXTWGEPZSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519748 459331758 /nfs/dbraw/zinc/33/17/58/459331758.db2.gz CCDWIPVCKZDLEF-GXTWGEPZSA-N 1 1 329.404 3.216 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccco3)CC2)c2c(c1)COCO2 ZINC000595617706 459369866 /nfs/dbraw/zinc/36/98/66/459369866.db2.gz IVCJTFVEVHFUGA-UHFFFAOYSA-N 1 1 344.367 3.434 10 5 EGBEMO CC(C)(C)OC(=O)CCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000541335237 459445149 /nfs/dbraw/zinc/44/51/49/459445149.db2.gz FAJJKVWTHGMDLL-UHFFFAOYSA-N 1 1 334.416 3.465 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595828175 459455881 /nfs/dbraw/zinc/45/58/81/459455881.db2.gz VCYDOYABTWDZEV-JQWIXIFHSA-N 1 1 330.306 3.082 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000595832738 459457698 /nfs/dbraw/zinc/45/76/98/459457698.db2.gz YMBMJWUTXJXAEQ-MRXNPFEDSA-N 1 1 328.368 3.257 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595877284 459471575 /nfs/dbraw/zinc/47/15/75/459471575.db2.gz IRZHKDNOPNUXHU-HNNXBMFYSA-N 1 1 339.395 3.195 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000541618847 459474008 /nfs/dbraw/zinc/47/40/08/459474008.db2.gz PVPPHFFEAZJRBV-UKRRQHHQSA-N 1 1 326.824 3.477 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000541618847 459474014 /nfs/dbraw/zinc/47/40/14/459474014.db2.gz PVPPHFFEAZJRBV-UKRRQHHQSA-N 1 1 326.824 3.477 10 5 EGBEMO CCOc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC000595908412 459483241 /nfs/dbraw/zinc/48/32/41/459483241.db2.gz IBYYNQCJJMUJQK-KDURUIRLSA-N 1 1 346.427 3.386 10 5 EGBEMO COc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596128114 459529865 /nfs/dbraw/zinc/52/98/65/459529865.db2.gz DRWTYJMIUMHYFR-LLVKDONJSA-N 1 1 327.812 3.035 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592130976 459530596 /nfs/dbraw/zinc/53/05/96/459530596.db2.gz NLKGBDOQNYTSIA-BZSNNMDCSA-N 1 1 348.443 3.269 10 5 EGBEMO C[C@H]1CC[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)O1 ZINC000592132856 459531760 /nfs/dbraw/zinc/53/17/60/459531760.db2.gz OFEXYPPLVOCVIF-DKIMLUQUSA-N 1 1 348.443 3.268 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596487794 459654423 /nfs/dbraw/zinc/65/44/23/459654423.db2.gz JVFNGHUDQKHNFL-UHFFFAOYSA-N 1 1 342.827 3.490 10 5 EGBEMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000543631908 459678557 /nfs/dbraw/zinc/67/85/57/459678557.db2.gz OQUYZTOHXRLNHG-DOTOQJQBSA-N 1 1 347.459 3.420 10 5 EGBEMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)c1C ZINC000584265672 459693760 /nfs/dbraw/zinc/69/37/60/459693760.db2.gz GSGUMBMTBAUKHV-UHFFFAOYSA-N 1 1 337.339 3.045 10 5 EGBEMO CCN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000596899681 459790151 /nfs/dbraw/zinc/79/01/51/459790151.db2.gz QIFALECZKQHWQQ-CQSZACIVSA-N 1 1 348.447 3.450 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)s1 ZINC000593687500 459951057 /nfs/dbraw/zinc/95/10/57/459951057.db2.gz JTXMAXCFVWFVFB-RBPJZEGCSA-N 1 1 348.449 3.029 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)s1 ZINC000593687500 459951060 /nfs/dbraw/zinc/95/10/60/459951060.db2.gz JTXMAXCFVWFVFB-RBPJZEGCSA-N 1 1 348.449 3.029 10 5 EGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597857592 460082366 /nfs/dbraw/zinc/08/23/66/460082366.db2.gz GHZKWXQEWMJCSX-DOTOQJQBSA-N 1 1 347.459 3.153 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H](C)c2nccs2)c1 ZINC000589511195 460096896 /nfs/dbraw/zinc/09/68/96/460096896.db2.gz AKRSXUUKEBZWDB-NSHDSACASA-N 1 1 349.412 3.073 10 5 EGBEMO CC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610529763 460177698 /nfs/dbraw/zinc/17/76/98/460177698.db2.gz OGEKMNYHMRQVMX-WMLDXEAASA-N 1 1 348.447 3.075 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccccn3)C3CCC3)nc2c1 ZINC000599574609 460277385 /nfs/dbraw/zinc/27/73/85/460277385.db2.gz WCIFHMKGCDYVLE-GOSISDBHSA-N 1 1 337.383 3.497 10 5 EGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000599693471 460313763 /nfs/dbraw/zinc/31/37/63/460313763.db2.gz ATVZQBYCBMTLQS-MRXNPFEDSA-N 1 1 332.404 3.123 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600214454 460445180 /nfs/dbraw/zinc/44/51/80/460445180.db2.gz QKIGKYQLXRGBOR-HNNXBMFYSA-N 1 1 328.368 3.299 10 5 EGBEMO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600227398 460449853 /nfs/dbraw/zinc/44/98/53/460449853.db2.gz BDIZQUHCJJRYDF-MRXNPFEDSA-N 1 1 331.416 3.040 10 5 EGBEMO C[C@@](CO)([NH2+]Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150566 460733729 /nfs/dbraw/zinc/73/37/29/460733729.db2.gz ZOPOSEQBHVXCBG-AWEZNQCLSA-N 1 1 326.805 3.307 10 5 EGBEMO O=[N+]([O-])c1cc(F)cnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000601156258 460734858 /nfs/dbraw/zinc/73/48/58/460734858.db2.gz NBZMJDBXLCXBJM-UHFFFAOYSA-N 1 1 345.378 3.046 10 5 EGBEMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000189780952 534572830 /nfs/dbraw/zinc/57/28/30/534572830.db2.gz KBBJSCNPLNGMBP-HOTGVXAUSA-N 1 1 333.413 3.230 10 5 EGBEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000189780952 534572840 /nfs/dbraw/zinc/57/28/40/534572840.db2.gz KBBJSCNPLNGMBP-HOTGVXAUSA-N 1 1 333.413 3.230 10 5 EGBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1C ZINC000182853637 527500251 /nfs/dbraw/zinc/50/02/51/527500251.db2.gz CIASSJIGMYGABH-YPKPFQOOSA-N 1 1 342.399 3.100 10 5 EGBEMO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187770033 528058972 /nfs/dbraw/zinc/05/89/72/528058972.db2.gz CYSRXJVFCKSRTI-DZGCQCFKSA-N 1 1 333.432 3.273 10 5 EGBEMO CC[N@@H+](CCc1nccs1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184270398 535759436 /nfs/dbraw/zinc/75/94/36/535759436.db2.gz RWWXNWUHLBCFRS-UHFFFAOYSA-N 1 1 339.392 3.264 10 5 EGBEMO Cc1sc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000735221758 575618217 /nfs/dbraw/zinc/61/82/17/575618217.db2.gz SHJXUGQGVDSFTO-CQSZACIVSA-N 1 1 346.408 3.396 10 5 EGBEMO Cc1sc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000735221758 575618219 /nfs/dbraw/zinc/61/82/19/575618219.db2.gz SHJXUGQGVDSFTO-CQSZACIVSA-N 1 1 346.408 3.396 10 5 EGBEMO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872066231 1296711827 /nfs/dbraw/zinc/71/18/27/1296711827.db2.gz LCHDIRPJDKBWNI-MRVPVSSYSA-N 1 1 342.264 3.302 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872279980 1296886975 /nfs/dbraw/zinc/88/69/75/1296886975.db2.gz IFPCEOXRJUMTHW-QZTJIDSGSA-N 1 1 334.416 3.052 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000858209146 1328712107 /nfs/dbraw/zinc/71/21/07/1328712107.db2.gz DHXJXXCEWFUERV-LBPRGKRZSA-N 1 1 348.712 3.338 10 5 EGBEMO COC(=O)/C=C\c1ccc(NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000917069165 1319747034 /nfs/dbraw/zinc/74/70/34/1319747034.db2.gz OHMUJZBOMAPQDB-LEJCZOIISA-N 1 1 347.415 3.067 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921688012 1322378864 /nfs/dbraw/zinc/37/88/64/1322378864.db2.gz PNNAYQQMRFGPDV-UHFFFAOYSA-N 1 1 344.415 3.284 10 5 EGBEMO CCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@H]1CC[N@@H+](CC)C1 ZINC000862179752 1329464277 /nfs/dbraw/zinc/46/42/77/1329464277.db2.gz VCBJUCWSYHHTMI-HNNXBMFYSA-N 1 1 341.411 3.304 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCF)C2)cc1OC(F)F ZINC000865927908 1329752410 /nfs/dbraw/zinc/75/24/10/1329752410.db2.gz KRHWTNLKGBNHTR-LLVKDONJSA-N 1 1 333.310 3.042 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCF)C2)cc1OC(F)F ZINC000865927908 1329752412 /nfs/dbraw/zinc/75/24/12/1329752412.db2.gz KRHWTNLKGBNHTR-LLVKDONJSA-N 1 1 333.310 3.042 10 5 EGBEMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@H]21 ZINC000866206426 1330078510 /nfs/dbraw/zinc/07/85/10/1330078510.db2.gz LAUCVFNHPAQHDI-GXFFZTMASA-N 1 1 329.322 3.144 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866690038 1330141409 /nfs/dbraw/zinc/14/14/09/1330141409.db2.gz ULVSOFIYHPASGV-ZDUSSCGKSA-N 1 1 327.384 3.441 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690038 1330141411 /nfs/dbraw/zinc/14/14/11/1330141411.db2.gz ULVSOFIYHPASGV-ZDUSSCGKSA-N 1 1 327.384 3.441 10 5 EGBEMO Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc(C)[nH+]1 ZINC001323149122 1387302998 /nfs/dbraw/zinc/30/29/98/1387302998.db2.gz HQGBFTKARMCEKC-UHFFFAOYSA-N 1 1 340.383 3.225 10 5 EGBEMO CCOc1cc(N2CC[N@@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC001186500348 1387955989 /nfs/dbraw/zinc/95/59/89/1387955989.db2.gz UKFCRWWVQNWVSD-UHFFFAOYSA-N 1 1 333.432 3.448 10 5 EGBEMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001130585686 1373566041 /nfs/dbraw/zinc/56/60/41/1373566041.db2.gz LDTPWGQYUIEQDH-MCIONIFRSA-N 1 1 347.459 3.445 10 5 EGBEMO CCc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001142240150 1378424643 /nfs/dbraw/zinc/42/46/43/1378424643.db2.gz PSAZVVVEYOEOMJ-CQSZACIVSA-N 1 1 347.459 3.398 10 5 EGBEMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001142560172 1378459698 /nfs/dbraw/zinc/45/96/98/1378459698.db2.gz YFEJFRMTJWAJQP-LBPRGKRZSA-N 1 1 339.823 3.098 10 5 EGBEMO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001295136794 1382552307 /nfs/dbraw/zinc/55/23/07/1382552307.db2.gz QNEIZWRXGQYCLJ-DOTOQJQBSA-N 1 1 333.432 3.284 10 5 EGBEMO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC001167477989 1383646090 /nfs/dbraw/zinc/64/60/90/1383646090.db2.gz JMFDRKAHVOUJJU-GHMZBOCLSA-N 1 1 325.796 3.307 10 5 EGBEMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC001167477989 1383646091 /nfs/dbraw/zinc/64/60/91/1383646091.db2.gz JMFDRKAHVOUJJU-GHMZBOCLSA-N 1 1 325.796 3.307 10 5 EGBEMO C[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001167544892 1383663360 /nfs/dbraw/zinc/66/33/60/1383663360.db2.gz XXWULIMTDIQZFV-CQSZACIVSA-N 1 1 339.395 3.370 10 5 EGBEMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001307545784 1383999709 /nfs/dbraw/zinc/99/97/09/1383999709.db2.gz YJEASHMRIAMPKZ-DLBZAZTESA-N 1 1 336.432 3.499 10 5 EGBEMO Cc1cc([C@H]2CCCCN2CCOc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001308110397 1384094718 /nfs/dbraw/zinc/09/47/18/1384094718.db2.gz YJIIAEXWRUPOMZ-OAHLLOKOSA-N 1 1 330.388 3.232 10 5 EGBEMO Cc1cc([C@H]2CCCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001308110397 1384094726 /nfs/dbraw/zinc/09/47/26/1384094726.db2.gz YJIIAEXWRUPOMZ-OAHLLOKOSA-N 1 1 330.388 3.232 10 5 EGBEMO Cc1cc([C@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001308110397 1384094730 /nfs/dbraw/zinc/09/47/30/1384094730.db2.gz YJIIAEXWRUPOMZ-OAHLLOKOSA-N 1 1 330.388 3.232 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]2(CO)c2ccccc2)c(F)c1 ZINC001308161417 1384103451 /nfs/dbraw/zinc/10/34/51/1384103451.db2.gz SJXQHNQELBHHJV-GOSISDBHSA-N 1 1 330.359 3.218 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)c(F)c1 ZINC001308161417 1384103453 /nfs/dbraw/zinc/10/34/53/1384103453.db2.gz SJXQHNQELBHHJV-GOSISDBHSA-N 1 1 330.359 3.218 10 5 EGBEMO Cc1ccccc1CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001170594989 1384347183 /nfs/dbraw/zinc/34/71/83/1384347183.db2.gz ZTTLUNJTTJDMDZ-UHFFFAOYSA-N 1 1 341.411 3.406 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001171811164 1384645692 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ZINC000370680835 457699920 /nfs/dbraw/zinc/69/99/20/457699920.db2.gz LTSBBYTYKCACBO-MRVPVSSYSA-N 1 1 337.177 3.050 10 5 EGBEMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000411983674 458033125 /nfs/dbraw/zinc/03/31/25/458033125.db2.gz MCBCABKONQMQOV-MRXNPFEDSA-N 1 1 326.400 3.061 10 5 EGBEMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000429257838 458300336 /nfs/dbraw/zinc/30/03/36/458300336.db2.gz FWEQRCYVFUHKAX-UHFFFAOYSA-N 1 1 346.431 3.275 10 5 EGBEMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000429293851 458310304 /nfs/dbraw/zinc/31/03/04/458310304.db2.gz KXHIVRXZSNRRCL-UHFFFAOYSA-N 1 1 341.411 3.306 10 5 EGBEMO Cc1ccc(C)c(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000429293851 458310312 /nfs/dbraw/zinc/31/03/12/458310312.db2.gz KXHIVRXZSNRRCL-UHFFFAOYSA-N 1 1 341.411 3.306 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464579913 458760033 /nfs/dbraw/zinc/76/00/33/458760033.db2.gz DKJRJKXUWPLONI-OAHLLOKOSA-N 1 1 334.416 3.191 10 5 EGBEMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000441006512 458876079 /nfs/dbraw/zinc/87/60/79/458876079.db2.gz CAGDEOZQSZQISG-LIRRHRJNSA-N 1 1 342.395 3.298 10 5 EGBEMO Cc1c(Cc2noc(C[N@H+]3[C@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000443210647 459099521 /nfs/dbraw/zinc/09/95/21/459099521.db2.gz BDIVPWGUQNRAKJ-TXEJJXNPSA-N 1 1 330.388 3.250 10 5 EGBEMO Cc1c(Cc2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000443210647 459099527 /nfs/dbraw/zinc/09/95/27/459099527.db2.gz BDIVPWGUQNRAKJ-TXEJJXNPSA-N 1 1 330.388 3.250 10 5 EGBEMO CC1(C)C[N@H+](C2(CNc3ccc([N+](=O)[O-])nc3)CCCCC2)CCO1 ZINC000558191584 459138705 /nfs/dbraw/zinc/13/87/05/459138705.db2.gz AABSNFWBBOCTDV-UHFFFAOYSA-N 1 1 348.447 3.215 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000590658893 459174442 /nfs/dbraw/zinc/17/44/42/459174442.db2.gz MDFDZTVFQFRLHG-OYWVLEMYSA-N 1 1 342.395 3.025 10 5 EGBEMO CC[C@H]1CCCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533425209 459233720 /nfs/dbraw/zinc/23/37/20/459233720.db2.gz BGZODQUZHCVPPY-HNNXBMFYSA-N 1 1 331.416 3.139 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000595501365 459326199 /nfs/dbraw/zinc/32/61/99/459326199.db2.gz OMQBRERMJRSXDG-OAHLLOKOSA-N 1 1 327.384 3.378 10 5 EGBEMO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)C1O ZINC000595731882 459416659 /nfs/dbraw/zinc/41/66/59/459416659.db2.gz HSZWUIPZQNEGFG-UWVGGRQHSA-N 1 1 332.322 3.062 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000595739090 459419816 /nfs/dbraw/zinc/41/98/16/459419816.db2.gz SWYGOHREWZEUIZ-KURKYZTESA-N 1 1 346.427 3.191 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000595739088 459420360 /nfs/dbraw/zinc/42/03/60/459420360.db2.gz SWYGOHREWZEUIZ-KSZLIROESA-N 1 1 346.427 3.191 10 5 EGBEMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000595751897 459425406 /nfs/dbraw/zinc/42/54/06/459425406.db2.gz YSQAPEHGGQDPHF-QGZVFWFLSA-N 1 1 345.468 3.405 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000595871602 459468454 /nfs/dbraw/zinc/46/84/54/459468454.db2.gz PUIGKGUIZBGJHQ-INIZCTEOSA-N 1 1 331.416 3.238 10 5 EGBEMO COc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596103425 459522028 /nfs/dbraw/zinc/52/20/28/459522028.db2.gz UAXGMDCHRZENBK-UHFFFAOYSA-N 1 1 336.779 3.364 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+](CCOCC1CC1)[C@H]1CC[C@H](O)CC1 ZINC000592130317 459530858 /nfs/dbraw/zinc/53/08/58/459530858.db2.gz BLYSOBCRMKXAGD-IYARVYRRSA-N 1 1 348.443 3.127 10 5 EGBEMO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596167367 459545758 /nfs/dbraw/zinc/54/57/58/459545758.db2.gz CGNCXGBUYWNJLC-WCQYABFASA-N 1 1 339.823 3.177 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000592197675 459547131 /nfs/dbraw/zinc/54/71/31/459547131.db2.gz HFDGSRXMWGWNRM-INIZCTEOSA-N 1 1 347.415 3.197 10 5 EGBEMO CCc1[nH+]ccn1[C@H](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592802366 459693291 /nfs/dbraw/zinc/69/32/91/459693291.db2.gz YLIMUDHPDAKPLZ-CYBMUJFWSA-N 1 1 344.415 3.356 10 5 EGBEMO C[N@H+]1CCC[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000593464534 459897447 /nfs/dbraw/zinc/89/74/47/459897447.db2.gz KZQDHSCFUJVWBV-CXAGYDPISA-N 1 1 326.400 3.064 10 5 EGBEMO C[C@@H]1c2ccccc2OCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609145501 459911997 /nfs/dbraw/zinc/91/19/97/459911997.db2.gz GUWISHZIBWIGDO-CQSZACIVSA-N 1 1 328.368 3.429 10 5 EGBEMO Cn1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593694859 459953881 /nfs/dbraw/zinc/95/38/81/459953881.db2.gz CKQWPCARKIZODK-MRXNPFEDSA-N 1 1 348.353 3.226 10 5 EGBEMO Cn1c2ccc(Nc3ccncc3[N+](=O)[O-])cc2[nH+]c1C(C)(C)C ZINC000588823390 459986696 /nfs/dbraw/zinc/98/66/96/459986696.db2.gz RJLXNLCXUGLFFH-UHFFFAOYSA-N 1 1 325.372 3.340 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598677649 459989025 /nfs/dbraw/zinc/98/90/25/459989025.db2.gz QTQKBFHOBHOOTN-OCCSQVGLSA-N 1 1 336.342 3.053 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000598888747 460085758 /nfs/dbraw/zinc/08/57/58/460085758.db2.gz PDIFUAFZTBHING-UHFFFAOYSA-N 1 1 341.839 3.407 10 5 EGBEMO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000599086837 460157588 /nfs/dbraw/zinc/15/75/88/460157588.db2.gz SQLVOKOJSPSMAD-CYBMUJFWSA-N 1 1 326.400 3.064 10 5 EGBEMO Cc1c(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000599702243 460316229 /nfs/dbraw/zinc/31/62/29/460316229.db2.gz PKRLHNBIXIDITI-AWEZNQCLSA-N 1 1 332.404 3.042 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600228927 460450867 /nfs/dbraw/zinc/45/08/67/460450867.db2.gz HPUGCABNKFIJJP-HNNXBMFYSA-N 1 1 331.416 3.040 10 5 EGBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)[C@H]2C1 ZINC000646937627 461458714 /nfs/dbraw/zinc/45/87/14/461458714.db2.gz PDMBAZXRQLCXHQ-BEFAXECRSA-N 1 1 331.419 3.164 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732578856 575277973 /nfs/dbraw/zinc/27/79/73/575277973.db2.gz ZWINYLUCCCUWMU-TXEJJXNPSA-N 1 1 339.823 3.241 10 5 EGBEMO COc1c(C(=O)O[C@@H](C)C[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000870785516 1296078019 /nfs/dbraw/zinc/07/80/19/1296078019.db2.gz PKUZKDDBLKOWME-QWHCGFSZSA-N 1 1 336.388 3.023 10 5 EGBEMO COc1c(C(=O)O[C@H](C)C[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000870785515 1296078152 /nfs/dbraw/zinc/07/81/52/1296078152.db2.gz PKUZKDDBLKOWME-OLZOCXBDSA-N 1 1 336.388 3.023 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872274563 1296880016 /nfs/dbraw/zinc/88/00/16/1296880016.db2.gz BFXFZTUEOZXYFV-INIZCTEOSA-N 1 1 334.416 3.397 10 5 EGBEMO Cc1ccnc(N)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894579119 1308964802 /nfs/dbraw/zinc/96/48/02/1308964802.db2.gz FMPNRZBKCQOMOE-UHFFFAOYSA-N 1 1 340.305 3.189 10 5 EGBEMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858514926 1328785749 /nfs/dbraw/zinc/78/57/49/1328785749.db2.gz XSSVKYCZUMSBGH-ZWKOTPCHSA-N 1 1 339.395 3.105 10 5 EGBEMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858912059 1328888962 /nfs/dbraw/zinc/88/89/62/1328888962.db2.gz SYPMDJQSDIQPSC-CQSZACIVSA-N 1 1 341.411 3.210 10 5 EGBEMO Cc1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)nn1 ZINC000930638382 1328921265 /nfs/dbraw/zinc/92/12/65/1328921265.db2.gz NPXFYGNWCNLKNT-MRXNPFEDSA-N 1 1 326.400 3.381 10 5 EGBEMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859124110 1328927956 /nfs/dbraw/zinc/92/79/56/1328927956.db2.gz ZEBFIHSNASLVHR-ZDUSSCGKSA-N 1 1 329.400 3.208 10 5 EGBEMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000922540888 1322552459 /nfs/dbraw/zinc/55/24/59/1322552459.db2.gz MUUNVWQFVSHUAM-SECBINFHSA-N 1 1 328.294 3.198 10 5 EGBEMO Cc1[nH+]ccn1CCCCOC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923961765 1322856457 /nfs/dbraw/zinc/85/64/57/1322856457.db2.gz HDNJZQUOEWKWGJ-UHFFFAOYSA-N 1 1 349.362 3.195 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000859927621 1329111155 /nfs/dbraw/zinc/11/11/55/1329111155.db2.gz MXJIEMMZVWFVAM-IJXRJRJASA-N 1 1 338.407 3.364 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339541 1329548509 /nfs/dbraw/zinc/54/85/09/1329548509.db2.gz DAZFWUVYKCSDAR-YWVDXFKGSA-N 1 1 331.372 3.138 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339541 1329548510 /nfs/dbraw/zinc/54/85/10/1329548510.db2.gz DAZFWUVYKCSDAR-YWVDXFKGSA-N 1 1 331.372 3.138 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000866403493 1330107389 /nfs/dbraw/zinc/10/73/89/1330107389.db2.gz QNYOCXBUQMWZAU-XJKSGUPXSA-N 1 1 346.456 3.151 10 5 EGBEMO CC(C)=CCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001193188888 1367960922 /nfs/dbraw/zinc/96/09/22/1367960922.db2.gz SDBQIIZXDPVXGJ-UHFFFAOYSA-N 1 1 343.431 3.340 10 5 EGBEMO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC001125229283 1372762056 /nfs/dbraw/zinc/76/20/56/1372762056.db2.gz BFAURVRRWKIOAJ-QGZVFWFLSA-N 1 1 337.379 3.220 10 5 EGBEMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001154889467 1380373635 /nfs/dbraw/zinc/37/36/35/1380373635.db2.gz NUOPVCAILCHWFN-LBPRGKRZSA-N 1 1 349.406 3.131 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001295664942 1382765474 /nfs/dbraw/zinc/76/54/74/1382765474.db2.gz PIUIRBFUDRFHQT-UHFFFAOYSA-N 1 1 345.443 3.220 10 5 EGBEMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC001164380714 1383182991 /nfs/dbraw/zinc/18/29/91/1383182991.db2.gz ZOXYEYYCSJCZPE-XHVZSJERSA-N 1 1 329.322 3.366 10 5 EGBEMO CCC(CC)[N@@H+](CCOC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001167310744 1383593103 /nfs/dbraw/zinc/59/31/03/1383593103.db2.gz YTRLZKMMXZECFG-UHFFFAOYSA-N 1 1 338.404 3.018 10 5 EGBEMO Cn1cc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)c([N+](=O)[O-])n1 ZINC001168183672 1383837771 /nfs/dbraw/zinc/83/77/71/1383837771.db2.gz CZNUCPRTSXTMJJ-UHFFFAOYSA-N 1 1 346.406 3.455 10 5 EGBEMO CCC[N@H+]1CC[C@@H](CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC001306942046 1383923737 /nfs/dbraw/zinc/92/37/37/1383923737.db2.gz PNEDYPVLFXFJCB-LBPRGKRZSA-N 1 1 348.834 3.362 10 5 EGBEMO CC(C)Oc1nc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001306982259 1383929206 /nfs/dbraw/zinc/92/92/06/1383929206.db2.gz NYKHOBVIOPYVBK-OAHLLOKOSA-N 1 1 348.447 3.453 10 5 EGBEMO CC(C)[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[N@H+]1C ZINC001307189476 1383953478 /nfs/dbraw/zinc/95/34/78/1383953478.db2.gz IBLKHJYSENIEAZ-CYBMUJFWSA-N 1 1 331.338 3.390 10 5 EGBEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001307486066 1383997581 /nfs/dbraw/zinc/99/75/81/1383997581.db2.gz DTMLTZUWBVOLKS-HZPDHXFCSA-N 1 1 349.431 3.059 10 5 EGBEMO COc1ccc(OCC[N@H+]2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001307856373 1384044364 /nfs/dbraw/zinc/04/43/64/1384044364.db2.gz KAQVWFAJQWHJAP-HNNXBMFYSA-N 1 1 334.416 3.494 10 5 EGBEMO O=C(CC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC001308122898 1384096617 /nfs/dbraw/zinc/09/66/17/1384096617.db2.gz YQKAPYLZCLBERU-YJBOKZPZSA-N 1 1 343.427 3.434 10 5 EGBEMO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170424619 1384315376 /nfs/dbraw/zinc/31/53/76/1384315376.db2.gz NEEBOMFOXLOQFD-INIZCTEOSA-N 1 1 347.459 3.327 10 5 EGBEMO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170424619 1384315378 /nfs/dbraw/zinc/31/53/78/1384315378.db2.gz NEEBOMFOXLOQFD-INIZCTEOSA-N 1 1 347.459 3.327 10 5 EGBEMO C[N@@H+](CCNC(=O)C1(C2CCC2)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317454674 1385153561 /nfs/dbraw/zinc/15/35/61/1385153561.db2.gz QBUKTTKFLUHVIL-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001176020059 1385462594 /nfs/dbraw/zinc/46/25/94/1385462594.db2.gz CVUKILOTYRDWNZ-INIZCTEOSA-N 1 1 349.431 3.203 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1(C)CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479787488 1392389600 /nfs/dbraw/zinc/38/96/00/1392389600.db2.gz FBWGFHDVUXKVCV-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO C[N@@H+](CCCNC(=O)/C=C\C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001707367632 1417296875 /nfs/dbraw/zinc/29/68/75/1417296875.db2.gz VKPUSXYRNOKSPR-KTKRTIGZSA-N 1 1 333.432 3.135 10 5 EGBEMO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284104696 201332037 /nfs/dbraw/zinc/33/20/37/201332037.db2.gz MSQXYJGMJPISPH-LLVKDONJSA-N 1 1 331.328 3.362 10 5 EGBEMO CCc1nccn1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000106212607 204188362 /nfs/dbraw/zinc/18/83/62/204188362.db2.gz XNHXYAIXGBDXQB-HNNXBMFYSA-N 1 1 344.415 3.070 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000185433037 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Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000193637117 266049478 /nfs/dbraw/zinc/04/94/78/266049478.db2.gz KLTVYVYFAVHASU-SNVBAGLBSA-N 1 1 337.763 3.439 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000270651309 266538583 /nfs/dbraw/zinc/53/85/83/266538583.db2.gz MOJGTDRLNBBJPR-SJLPKXTDSA-N 1 1 339.395 3.078 10 5 EGBEMO CC(C)COC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054322069 307337596 /nfs/dbraw/zinc/33/75/96/307337596.db2.gz QPCOOGOWEAOFKP-CQSZACIVSA-N 1 1 349.431 3.059 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414806594 309102606 /nfs/dbraw/zinc/10/26/06/309102606.db2.gz HTIZPEKKCQMBDS-CYBMUJFWSA-N 1 1 329.400 3.303 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414806596 309102639 /nfs/dbraw/zinc/10/26/39/309102639.db2.gz HTIZPEKKCQMBDS-ZDUSSCGKSA-N 1 1 329.400 3.303 10 5 EGBEMO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414942325 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COc1cccc2c1CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000489421356 311105367 /nfs/dbraw/zinc/10/53/67/311105367.db2.gz FSRKKOXYOBHALT-UHFFFAOYSA-N 1 1 342.395 3.083 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513371727 312208072 /nfs/dbraw/zinc/20/80/72/312208072.db2.gz QDTIIBARDNGXAP-UHFFFAOYSA-N 1 1 329.375 3.446 10 5 EGBEMO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000515870307 312301601 /nfs/dbraw/zinc/30/16/01/312301601.db2.gz VLMLFNJGPLFCRM-DZGCQCFKSA-N 1 1 331.416 3.057 10 5 EGBEMO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000554527681 315328644 /nfs/dbraw/zinc/32/86/44/315328644.db2.gz XRPRRJNJRXPYNX-UHFFFAOYSA-N 1 1 335.448 3.156 10 5 EGBEMO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000554527681 315328646 /nfs/dbraw/zinc/32/86/46/315328646.db2.gz XRPRRJNJRXPYNX-UHFFFAOYSA-N 1 1 335.448 3.156 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])cc1F ZINC000570579661 317076520 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EGBEMO CC[C@H](NC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090073660 454273411 /nfs/dbraw/zinc/27/34/11/454273411.db2.gz NFSQOUMSIAHRJM-YOEHRIQHSA-N 1 1 348.447 3.220 10 5 EGBEMO CC(C)(C)C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060877215 454318195 /nfs/dbraw/zinc/31/81/95/454318195.db2.gz LYQFUKIPEJTBJW-CVEARBPZSA-N 1 1 336.432 3.235 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047144512 454333522 /nfs/dbraw/zinc/33/35/22/454333522.db2.gz MSGMINMWRWMBBF-GFCCVEGCSA-N 1 1 347.440 3.414 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000079462633 454419973 /nfs/dbraw/zinc/41/99/73/454419973.db2.gz PONIBXKPODETCK-IUODEOHRSA-N 1 1 325.840 3.410 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000092105378 454525397 /nfs/dbraw/zinc/52/53/97/454525397.db2.gz QLDLBLFGZKCZNT-NVXWUHKLSA-N 1 1 345.443 3.209 10 5 EGBEMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C 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Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597858144 460082789 /nfs/dbraw/zinc/08/27/89/460082789.db2.gz KJKYJOQMVQHUKX-GFCCVEGCSA-N 1 1 339.823 3.159 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000589494098 460095544 /nfs/dbraw/zinc/09/55/44/460095544.db2.gz CKCMCXHQUKEKCW-UHFFFAOYSA-N 1 1 346.305 3.156 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCSC(C)(C)CC2)c1 ZINC000589512834 460096931 /nfs/dbraw/zinc/09/69/31/460096931.db2.gz CEWMXMHADSWXJG-UHFFFAOYSA-N 1 1 338.429 3.099 10 5 EGBEMO COc1cc(C[NH+]2CC(C3CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000589736704 460133559 /nfs/dbraw/zinc/13/35/59/460133559.db2.gz CGIAPYLNWLULAS-UHFFFAOYSA-N 1 1 342.342 3.089 10 5 EGBEMO O=[N+]([O-])c1sccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000604433419 460426795 /nfs/dbraw/zinc/42/67/95/460426795.db2.gz UXUHPPFWIXZNPK-UHFFFAOYSA-N 1 1 333.413 3.101 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000601288857 460776920 /nfs/dbraw/zinc/77/69/20/460776920.db2.gz DMFXPFGJYFQERR-CVEARBPZSA-N 1 1 326.400 3.340 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ncc(C)s1 ZINC000179466417 528612882 /nfs/dbraw/zinc/61/28/82/528612882.db2.gz DPDQYWQQCWYYSI-UHFFFAOYSA-N 1 1 335.429 3.433 10 5 EGBEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000745455211 576848183 /nfs/dbraw/zinc/84/81/83/576848183.db2.gz FEKCKEIVIIQRLA-OAHLLOKOSA-N 1 1 349.431 3.474 10 5 EGBEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000745455211 576848184 /nfs/dbraw/zinc/84/81/84/576848184.db2.gz FEKCKEIVIIQRLA-OAHLLOKOSA-N 1 1 349.431 3.474 10 5 EGBEMO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024085 1296669626 /nfs/dbraw/zinc/66/96/26/1296669626.db2.gz YGXCTGQNGIYNBR-GFCCVEGCSA-N 1 1 345.374 3.334 10 5 EGBEMO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048788 1296698888 /nfs/dbraw/zinc/69/88/88/1296698888.db2.gz MHKHFDZASYTJQT-QVQLBTGDSA-N 1 1 336.388 3.322 10 5 EGBEMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000872073401 1296718282 /nfs/dbraw/zinc/71/82/82/1296718282.db2.gz QLVIDENSEMBNIK-MNOVXSKESA-N 1 1 332.429 3.248 10 5 EGBEMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000858035985 1328667081 /nfs/dbraw/zinc/66/70/81/1328667081.db2.gz CGZDFTDGMHZBEK-CYBMUJFWSA-N 1 1 331.347 3.091 10 5 EGBEMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000858035985 1328667085 /nfs/dbraw/zinc/66/70/85/1328667085.db2.gz CGZDFTDGMHZBEK-CYBMUJFWSA-N 1 1 331.347 3.091 10 5 EGBEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858514923 1328785660 /nfs/dbraw/zinc/78/56/60/1328785660.db2.gz XSSVKYCZUMSBGH-MSOLQXFVSA-N 1 1 339.395 3.105 10 5 EGBEMO COC(=O)/C=C\c1ccc(NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000917069159 1319747449 /nfs/dbraw/zinc/74/74/49/1319747449.db2.gz OHMUJZBOMAPQDB-IUCKJTJTSA-N 1 1 347.415 3.067 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000925235744 1325090470 /nfs/dbraw/zinc/09/04/70/1325090470.db2.gz IHQMVGOQPZLXKF-JJRVBVJISA-N 1 1 348.447 3.028 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000863341017 1329548613 /nfs/dbraw/zinc/54/86/13/1329548613.db2.gz TVEUGRWVJNXKMN-IBUXWKBASA-N 1 1 331.372 3.138 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000863341017 1329548615 /nfs/dbraw/zinc/54/86/15/1329548615.db2.gz TVEUGRWVJNXKMN-IBUXWKBASA-N 1 1 331.372 3.138 10 5 EGBEMO C[C@H](C(=O)Nc1nccc2c1cccc2[N+](=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001183837526 1387356778 /nfs/dbraw/zinc/35/67/78/1387356778.db2.gz XCVZDCGUSUPXOO-FRRDWIJNSA-N 1 1 342.399 3.343 10 5 EGBEMO CC[C@H]1CCCC[N@H+]1CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001185323567 1387683314 /nfs/dbraw/zinc/68/33/14/1387683314.db2.gz QRGGOCWHXOOGIQ-AWEZNQCLSA-N 1 1 346.406 3.380 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001185685678 1387778663 /nfs/dbraw/zinc/77/86/63/1387778663.db2.gz RFTRYRGCTBFIHI-HIFRSBDPSA-N 1 1 339.823 3.304 10 5 EGBEMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC001186203291 1387895589 /nfs/dbraw/zinc/89/55/89/1387895589.db2.gz NVFYFXXZXUBGBO-QGZVFWFLSA-N 1 1 344.390 3.451 10 5 EGBEMO C[N@H+]1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC001198269989 1368993875 /nfs/dbraw/zinc/99/38/75/1368993875.db2.gz HHKYGLFEJWOLMF-ABAIWWIYSA-N 1 1 344.242 3.285 10 5 EGBEMO CC[N@@H+]1CC[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001187430317 1388107188 /nfs/dbraw/zinc/10/71/88/1388107188.db2.gz HUHCRLNWQUFKEM-MRXNPFEDSA-N 1 1 339.395 3.332 10 5 EGBEMO CC[N@H+]1CC[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001187430317 1388107192 /nfs/dbraw/zinc/10/71/92/1388107192.db2.gz HUHCRLNWQUFKEM-MRXNPFEDSA-N 1 1 339.395 3.332 10 5 EGBEMO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001118906182 1371247523 /nfs/dbraw/zinc/24/75/23/1371247523.db2.gz LEKBGSJODNDNHQ-ZBEGNZNMSA-N 1 1 337.807 3.451 10 5 EGBEMO C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001118906182 1371247527 /nfs/dbraw/zinc/24/75/27/1371247527.db2.gz LEKBGSJODNDNHQ-ZBEGNZNMSA-N 1 1 337.807 3.451 10 5 EGBEMO Cc1ccc(NCCNc2nc3ccc([N+](=O)[O-])cc3s2)[nH+]c1 ZINC001187695089 1388144919 /nfs/dbraw/zinc/14/49/19/1388144919.db2.gz SZBZXNJIUCTTDM-UHFFFAOYSA-N 1 1 329.385 3.432 10 5 EGBEMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC001164380712 1383182783 /nfs/dbraw/zinc/18/27/83/1383182783.db2.gz ZOXYEYYCSJCZPE-NDMJEZRESA-N 1 1 329.322 3.366 10 5 EGBEMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001298190597 1383380358 /nfs/dbraw/zinc/38/03/58/1383380358.db2.gz AATRLKGAVMMAAJ-GUYCJALGSA-N 1 1 346.431 3.371 10 5 EGBEMO CC(C)[C@@](O)(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001167648364 1383697878 /nfs/dbraw/zinc/69/78/78/1383697878.db2.gz UECHEDKTEPOLHJ-FQEVSTJZSA-N 1 1 340.423 3.497 10 5 EGBEMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001167765546 1383735744 /nfs/dbraw/zinc/73/57/44/1383735744.db2.gz FRWMVKGSQAOAEB-IRXDYDNUSA-N 1 1 336.432 3.499 10 5 EGBEMO Cc1[nH+]ccn1CCCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001306974191 1383928398 /nfs/dbraw/zinc/92/83/98/1383928398.db2.gz GORAYLROAAQTRF-UHFFFAOYSA-N 1 1 345.790 3.225 10 5 EGBEMO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778537 1384029561 /nfs/dbraw/zinc/02/95/61/1384029561.db2.gz GBJMMNYQIHBTKZ-QRTARXTBSA-N 1 1 334.416 3.362 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC001171811167 1384645666 /nfs/dbraw/zinc/64/56/66/1384645666.db2.gz VRTCHBMUYBOLQW-GVDBMIGSSA-N 1 1 346.427 3.457 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001175687103 1385373778 /nfs/dbraw/zinc/37/37/78/1385373778.db2.gz JDIYXYILOLYJFM-UHFFFAOYSA-N 1 1 335.448 3.301 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1CN(C)CCCC[NH+]1CCCCC1 ZINC001175687103 1385373783 /nfs/dbraw/zinc/37/37/83/1385373783.db2.gz JDIYXYILOLYJFM-UHFFFAOYSA-N 1 1 335.448 3.301 10 5 EGBEMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001176628840 1385643585 /nfs/dbraw/zinc/64/35/85/1385643585.db2.gz ASWMWUZDXMYNAT-LLVKDONJSA-N 1 1 343.339 3.289 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c1 ZINC001329581096 1389165946 /nfs/dbraw/zinc/16/59/46/1389165946.db2.gz CUGRHCIGQGMMJI-ZIAGYGMSSA-N 1 1 338.429 3.097 10 5 EGBEMO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001338082422 1389537900 /nfs/dbraw/zinc/53/79/00/1389537900.db2.gz WPENKFHKRVLFEN-KDURUIRLSA-N 1 1 343.427 3.110 10 5 EGBEMO O=[N+]([O-])CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC001334809488 1390595364 /nfs/dbraw/zinc/59/53/64/1390595364.db2.gz LGOVMCBKILPIQU-SNVBAGLBSA-N 1 1 341.127 3.309 10 5 EGBEMO C/C=C(/C)C(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001483964435 1395165755 /nfs/dbraw/zinc/16/57/55/1395165755.db2.gz VZWKJUHLTCXRTO-QCDXTXTGSA-N 1 1 337.445 3.093 10 5 EGBEMO Cc1cccc(C(=O)N(C)CC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001698983384 1406762971 /nfs/dbraw/zinc/76/29/71/1406762971.db2.gz ULBOUKDMFPUUAW-UHFFFAOYSA-N 1 1 341.411 3.107 10 5 EGBEMO Cc1cccc(C(=O)N(C)CC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001698983384 1406762978 /nfs/dbraw/zinc/76/29/78/1406762978.db2.gz ULBOUKDMFPUUAW-UHFFFAOYSA-N 1 1 341.411 3.107 10 5 EGBEMO CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001484757166 1395509550 /nfs/dbraw/zinc/50/95/50/1395509550.db2.gz KOVPTDVICVKBRK-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO CCC1(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001731790346 1427929683 /nfs/dbraw/zinc/92/96/83/1427929683.db2.gz HBUKMACPZAJLSB-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CCC1(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001731790346 1427929687 /nfs/dbraw/zinc/92/96/87/1427929687.db2.gz HBUKMACPZAJLSB-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246126858 243197537 /nfs/dbraw/zinc/19/75/37/243197537.db2.gz ZDAAGFIGMSBXJZ-DZGCQCFKSA-N 1 1 348.447 3.406 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000377602873 169046461 /nfs/dbraw/zinc/04/64/61/169046461.db2.gz FCCUGEMRDFQAEL-CQSZACIVSA-N 1 1 347.415 3.054 10 5 EGBEMO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000153691595 224142306 /nfs/dbraw/zinc/14/23/06/224142306.db2.gz FADICYDIHMGNNQ-GOOCMWNKSA-N 1 1 332.404 3.040 10 5 EGBEMO CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120046293 152247205 /nfs/dbraw/zinc/24/72/05/152247205.db2.gz VLHRWBYXKOQXDT-AWEZNQCLSA-N 1 1 327.384 3.444 10 5 EGBEMO COc1cc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000305787003 154120985 /nfs/dbraw/zinc/12/09/85/154120985.db2.gz AATFXIQJILMFCT-QGZVFWFLSA-N 1 1 342.395 3.085 10 5 EGBEMO CCc1n[nH]c(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000362089560 157018102 /nfs/dbraw/zinc/01/81/02/157018102.db2.gz JBZQOZPTCPWHNH-LBPRGKRZSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nc(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000362089560 157018105 /nfs/dbraw/zinc/01/81/05/157018105.db2.gz JBZQOZPTCPWHNH-LBPRGKRZSA-N 1 1 329.404 3.216 10 5 EGBEMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000125547806 162277157 /nfs/dbraw/zinc/27/71/57/162277157.db2.gz HOVLIUMCVLZBOC-ZDUSSCGKSA-N 1 1 330.384 3.372 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000249151662 163058931 /nfs/dbraw/zinc/05/89/31/163058931.db2.gz XRMXZJSJLNVWQN-STQMWFEESA-N 1 1 349.456 3.016 10 5 EGBEMO Cc1cc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000354401773 166014113 /nfs/dbraw/zinc/01/41/13/166014113.db2.gz MEFMMIFEYBDCAZ-MRXNPFEDSA-N 1 1 326.400 3.009 10 5 EGBEMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344079403 164098784 /nfs/dbraw/zinc/09/87/84/164098784.db2.gz YFESRDFAOHXVRZ-AWEZNQCLSA-N 1 1 347.415 3.220 10 5 EGBEMO C[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000352094365 165232509 /nfs/dbraw/zinc/23/25/09/165232509.db2.gz ZNEWZOCXXRFYSH-MSOLQXFVSA-N 1 1 329.375 3.269 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000355114273 166110425 /nfs/dbraw/zinc/11/04/25/166110425.db2.gz OSHFDOBKXDMTDX-SMDDNHRTSA-N 1 1 342.342 3.197 10 5 EGBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359567086 167196282 /nfs/dbraw/zinc/19/62/82/167196282.db2.gz WKNWDJVETLCTDM-HBUWYVDXSA-N 1 1 331.416 3.434 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000172179400 227521028 /nfs/dbraw/zinc/52/10/28/227521028.db2.gz HGBOQFPVAOTVES-UHFFFAOYSA-N 1 1 334.807 3.357 10 5 EGBEMO Cc1sc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180175553 265397228 /nfs/dbraw/zinc/39/72/28/265397228.db2.gz FDOQRLDEEQDNMO-XJKSGUPXSA-N 1 1 345.424 3.140 10 5 EGBEMO Cc1sc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180175553 265397231 /nfs/dbraw/zinc/39/72/31/265397231.db2.gz FDOQRLDEEQDNMO-XJKSGUPXSA-N 1 1 345.424 3.140 10 5 EGBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278816463 275277515 /nfs/dbraw/zinc/27/75/15/275277515.db2.gz PKWBTOGTHKLZLR-QWRGUYRKSA-N 1 1 345.321 3.196 10 5 EGBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278816463 275277516 /nfs/dbraw/zinc/27/75/16/275277516.db2.gz PKWBTOGTHKLZLR-QWRGUYRKSA-N 1 1 345.321 3.196 10 5 EGBEMO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054322068 307337423 /nfs/dbraw/zinc/33/74/23/307337423.db2.gz QPCOOGOWEAOFKP-AWEZNQCLSA-N 1 1 349.431 3.059 10 5 EGBEMO Cc1c(Cc2noc(C[NH+]3[C@@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000443210645 309897103 /nfs/dbraw/zinc/89/71/03/309897103.db2.gz BDIVPWGUQNRAKJ-RYUDHWBXSA-N 1 1 330.388 3.250 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000449303609 310051857 /nfs/dbraw/zinc/05/18/57/310051857.db2.gz XHXBWZCRBYVELX-DZGCQCFKSA-N 1 1 342.399 3.356 10 5 EGBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376939 310175150 /nfs/dbraw/zinc/17/51/50/310175150.db2.gz WNHLRYMMMLMJAE-ZIUCBDDQSA-N 1 1 341.411 3.066 10 5 EGBEMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000456156655 310391043 /nfs/dbraw/zinc/39/10/43/310391043.db2.gz DARUJRZWRUFFEC-OAHLLOKOSA-N 1 1 343.387 3.128 10 5 EGBEMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488072770 311050251 /nfs/dbraw/zinc/05/02/51/311050251.db2.gz VRQSJXVHLQXBCU-AWEZNQCLSA-N 1 1 328.416 3.454 10 5 EGBEMO COc1cccc2c1CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000510807648 312148822 /nfs/dbraw/zinc/14/88/22/312148822.db2.gz 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COc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000048367091 454481571 /nfs/dbraw/zinc/48/15/71/454481571.db2.gz FJYJFTRJQWLGCQ-UHFFFAOYSA-N 1 1 338.310 3.495 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000080651555 454613152 /nfs/dbraw/zinc/61/31/52/454613152.db2.gz CMSHWJSVOIDEQR-GFCCVEGCSA-N 1 1 325.384 3.053 10 5 EGBEMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC000153105994 454761089 /nfs/dbraw/zinc/76/10/89/454761089.db2.gz VBMNZJADLKTRPY-UHFFFAOYSA-N 1 1 343.358 3.121 10 5 EGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176765644 454780273 /nfs/dbraw/zinc/78/02/73/454780273.db2.gz GMOOJWBZSQQTMW-HNNXBMFYSA-N 1 1 343.387 3.105 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000182815419 455170752 /nfs/dbraw/zinc/17/07/52/455170752.db2.gz JEKLYDDWVRFDSC-SJLPKXTDSA-N 1 1 347.459 3.151 10 5 EGBEMO COc1ccc(OCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000173452566 455285880 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RKKSIBLTKGNKSF-DLBZAZTESA-N 1 1 340.383 3.162 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191356851 455479726 /nfs/dbraw/zinc/47/97/26/455479726.db2.gz OXSCCWVLSPCCTG-AWEZNQCLSA-N 1 1 334.420 3.160 10 5 EGBEMO COc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000292364799 455642439 /nfs/dbraw/zinc/64/24/39/455642439.db2.gz ROWZXQAFXOZHQK-GFCCVEGCSA-N 1 1 337.395 3.053 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520709 455978657 /nfs/dbraw/zinc/97/86/57/455978657.db2.gz LLIKLLWBCCWDDZ-HIFRSBDPSA-N 1 1 341.415 3.073 10 5 EGBEMO COc1cc(NC[C@H]2CCC[N@H+]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000301771663 456210590 /nfs/dbraw/zinc/21/05/90/456210590.db2.gz LFRNXNVFIBLJHQ-GFCCVEGCSA-N 1 1 325.384 3.275 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000302190866 456313195 /nfs/dbraw/zinc/31/31/95/456313195.db2.gz VNYBOLVSQFGKAZ-CGTJXYLNSA-N 1 1 338.411 3.312 10 5 EGBEMO C[C@]1(CNc2ncccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000302414885 456340970 /nfs/dbraw/zinc/34/09/70/456340970.db2.gz LZTTYQMHYRXGKO-GOSISDBHSA-N 1 1 326.400 3.456 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCSc1ccc(F)cc1)CC2 ZINC000347801367 456375460 /nfs/dbraw/zinc/37/54/60/456375460.db2.gz DIADYKRZPREBQJ-UHFFFAOYSA-N 1 1 333.388 3.279 10 5 EGBEMO COc1ccc(Cl)cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353002128 456441935 /nfs/dbraw/zinc/44/19/35/456441935.db2.gz UFVGPTKTUJRMGD-UHFFFAOYSA-N 1 1 333.775 3.210 10 5 EGBEMO COc1ccc(Cl)cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353002128 456441941 /nfs/dbraw/zinc/44/19/41/456441941.db2.gz UFVGPTKTUJRMGD-UHFFFAOYSA-N 1 1 333.775 3.210 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348181147 456519645 /nfs/dbraw/zinc/51/96/45/456519645.db2.gz OVQXCHJXUHVGSN-QGZVFWFLSA-N 1 1 333.432 3.051 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000340759533 456671417 /nfs/dbraw/zinc/67/14/17/456671417.db2.gz SPYZLPXESJNBSH-GJZGRUSLSA-N 1 1 340.420 3.220 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000340759533 456671421 /nfs/dbraw/zinc/67/14/21/456671421.db2.gz SPYZLPXESJNBSH-GJZGRUSLSA-N 1 1 340.420 3.220 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000326716495 456697964 /nfs/dbraw/zinc/69/79/64/456697964.db2.gz PRZIOZUDFJIFLD-GVDBMIGSSA-N 1 1 334.416 3.119 10 5 EGBEMO CCc1cc(NC[C@H]2CCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301073649 456789512 /nfs/dbraw/zinc/78/95/12/456789512.db2.gz AXSDBQCZJMITJC-MRXNPFEDSA-N 1 1 341.415 3.120 10 5 EGBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339046462 456914661 /nfs/dbraw/zinc/91/46/61/456914661.db2.gz AARXRVSRYMSKGN-KRWDZBQOSA-N 1 1 341.411 3.007 10 5 EGBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339046462 456914665 /nfs/dbraw/zinc/91/46/65/456914665.db2.gz AARXRVSRYMSKGN-KRWDZBQOSA-N 1 1 341.411 3.007 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000361066123 457559877 /nfs/dbraw/zinc/55/98/77/457559877.db2.gz NOVKMDVZCQECSE-KRWDZBQOSA-N 1 1 346.383 3.209 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000361084784 457572424 /nfs/dbraw/zinc/57/24/24/457572424.db2.gz REJPJLLPKZCLFZ-IBGZPJMESA-N 1 1 341.411 3.082 10 5 EGBEMO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000361248078 457665531 /nfs/dbraw/zinc/66/55/31/457665531.db2.gz AGYLPQPWFGAGDA-CYBMUJFWSA-N 1 1 346.383 3.474 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCCC[C@@H]1C ZINC000358398287 457978302 /nfs/dbraw/zinc/97/83/02/457978302.db2.gz MGTZHCXGIZGZIC-ZDUSSCGKSA-N 1 1 335.404 3.197 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000412046305 458065234 /nfs/dbraw/zinc/06/52/34/458065234.db2.gz QYFDOEFZHUAGSF-GFCCVEGCSA-N 1 1 335.404 3.052 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000412046305 458065238 /nfs/dbraw/zinc/06/52/38/458065238.db2.gz QYFDOEFZHUAGSF-GFCCVEGCSA-N 1 1 335.404 3.052 10 5 EGBEMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000446881787 458240270 /nfs/dbraw/zinc/24/02/70/458240270.db2.gz VNBDTJWFMTUCGN-SFHVURJKSA-N 1 1 334.416 3.314 10 5 EGBEMO CC(C)([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000429251461 458298928 /nfs/dbraw/zinc/29/89/28/458298928.db2.gz BIIUIPZMNMSXTD-UHFFFAOYSA-N 1 1 331.347 3.197 10 5 EGBEMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000441015753 458876691 /nfs/dbraw/zinc/87/66/91/458876691.db2.gz KZPVABCDEHLFTK-LIRRHRJNSA-N 1 1 326.396 3.461 10 5 EGBEMO Cc1[nH+]cn(CCCCc2noc(-c3cccc([N+](=O)[O-])c3)n2)c1C ZINC000594535138 459082141 /nfs/dbraw/zinc/08/21/41/459082141.db2.gz ULEBSXJYLRDSLR-UHFFFAOYSA-N 1 1 341.371 3.481 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602819 459160296 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337.851 3.460 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+](CCC1(O)CCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132491 459531862 /nfs/dbraw/zinc/53/18/62/459531862.db2.gz HIGAUHYIIFKWDT-QAQDUYKDSA-N 1 1 348.443 3.005 10 5 EGBEMO Cc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000542323665 459547201 /nfs/dbraw/zinc/54/72/01/459547201.db2.gz WXKRDLQPHVHLLG-INIZCTEOSA-N 1 1 339.395 3.331 10 5 EGBEMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000542323665 459547209 /nfs/dbraw/zinc/54/72/09/459547209.db2.gz WXKRDLQPHVHLLG-INIZCTEOSA-N 1 1 339.395 3.331 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000542970543 459615761 /nfs/dbraw/zinc/61/57/61/459615761.db2.gz FDIFADDLAOLJML-AWEZNQCLSA-N 1 1 349.431 3.161 10 5 EGBEMO CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543131189 459625916 /nfs/dbraw/zinc/62/59/16/459625916.db2.gz FGJNHHPPXDEVEB-LSDHHAIUSA-N 1 1 336.432 3.235 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596544100 459671387 /nfs/dbraw/zinc/67/13/87/459671387.db2.gz XVSGNGIDZHYRJW-UHFFFAOYSA-N 1 1 334.420 3.012 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC000593044330 459752876 /nfs/dbraw/zinc/75/28/76/459752876.db2.gz FCOVVXAJZPPNAL-UHFFFAOYSA-N 1 1 344.333 3.351 10 5 EGBEMO C[C@@H]1c2ccccc2OCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609145475 459912524 /nfs/dbraw/zinc/91/25/24/459912524.db2.gz FOSDEXJEBDXPHF-CQSZACIVSA-N 1 1 328.368 3.429 10 5 EGBEMO C[C@@H]1c2ccccc2OCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609145475 459912528 /nfs/dbraw/zinc/91/25/28/459912528.db2.gz FOSDEXJEBDXPHF-CQSZACIVSA-N 1 1 328.368 3.429 10 5 EGBEMO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602472763 459954677 /nfs/dbraw/zinc/95/46/77/459954677.db2.gz BPZDFZLTLXXSHQ-GFCCVEGCSA-N 1 1 346.305 3.141 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000598889081 460085621 /nfs/dbraw/zinc/08/56/21/460085621.db2.gz SRPZLMCDBINUJI-UHFFFAOYSA-N 1 1 339.461 3.167 10 5 EGBEMO Cn1ccnc1C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272857 460101159 /nfs/dbraw/zinc/10/11/59/460101159.db2.gz VAEAKMIMIWFUJA-OAHLLOKOSA-N 1 1 342.424 3.463 10 5 EGBEMO COc1cc(NCC[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000610715193 460224103 /nfs/dbraw/zinc/22/41/03/460224103.db2.gz DWNYWEFKZKMHHQ-UHFFFAOYSA-N 1 1 331.347 3.170 10 5 EGBEMO Cc1nc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000610755206 460231900 /nfs/dbraw/zinc/23/19/00/460231900.db2.gz PSJPNOJKGWAIPW-OAHLLOKOSA-N 1 1 340.427 3.399 10 5 EGBEMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000599672515 460305733 /nfs/dbraw/zinc/30/57/33/460305733.db2.gz IELZKFNCPUJOGI-CQSZACIVSA-N 1 1 331.416 3.496 10 5 EGBEMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000599697513 460315080 /nfs/dbraw/zinc/31/50/80/460315080.db2.gz RJECJTAOCOPHHJ-PTEHBNRSSA-N 1 1 340.807 3.410 10 5 EGBEMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000599697513 460315081 /nfs/dbraw/zinc/31/50/81/460315081.db2.gz RJECJTAOCOPHHJ-PTEHBNRSSA-N 1 1 340.807 3.410 10 5 EGBEMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000600227397 460450591 /nfs/dbraw/zinc/45/05/91/460450591.db2.gz BDIZQUHCJJRYDF-INIZCTEOSA-N 1 1 331.416 3.040 10 5 EGBEMO C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600231005 460452453 /nfs/dbraw/zinc/45/24/53/460452453.db2.gz XZSRHVGULRYDLY-RDTXWAMCSA-N 1 1 345.443 3.222 10 5 EGBEMO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872026972 1296671850 /nfs/dbraw/zinc/67/18/50/1296671850.db2.gz JGRYTHOILAHLDU-KGLIPLIRSA-N 1 1 348.374 3.133 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836918 1309546569 /nfs/dbraw/zinc/54/65/69/1309546569.db2.gz QADNJTKNRPCHBG-XCHKQJEOSA-N 1 1 344.333 3.245 10 5 EGBEMO 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Cc1ccnc([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000519619625 458974832 /nfs/dbraw/zinc/97/48/32/458974832.db2.gz ZXLSBHWTAHLLKY-OAHLLOKOSA-N 1 1 327.384 3.167 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000595025886 459221127 /nfs/dbraw/zinc/22/11/27/459221127.db2.gz JVGDBPSJKMBXMR-FZMZJTMJSA-N 1 1 336.413 3.358 10 5 EGBEMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(OC)c1 ZINC000595683030 459394596 /nfs/dbraw/zinc/39/45/96/459394596.db2.gz FCDXLUQGGYUCBV-INIZCTEOSA-N 1 1 346.383 3.089 10 5 EGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781434 459436852 /nfs/dbraw/zinc/43/68/52/459436852.db2.gz SXUOCWNYSQFOJF-AGIUHOORSA-N 1 1 346.387 3.205 10 5 EGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781434 459436856 /nfs/dbraw/zinc/43/68/56/459436856.db2.gz SXUOCWNYSQFOJF-AGIUHOORSA-N 1 1 346.387 3.205 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+](CCC2CC2)CC2CC2)c2c(c1)COCO2 ZINC000595870358 459468964 /nfs/dbraw/zinc/46/89/64/459468964.db2.gz ALCGTOVEUKDGQE-UHFFFAOYSA-N 1 1 332.400 3.473 10 5 EGBEMO CCCN(C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000591976297 459502187 /nfs/dbraw/zinc/50/21/87/459502187.db2.gz QFXRWSHBRLLPKN-IRXDYDNUSA-N 1 1 348.447 3.172 10 5 EGBEMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596082913 459513793 /nfs/dbraw/zinc/51/37/93/459513793.db2.gz PXHYGGVBMUMEFW-QWRGUYRKSA-N 1 1 325.796 3.296 10 5 EGBEMO COc1cc(N[C@H]2CC[N@@H+](CC3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596118751 459527934 /nfs/dbraw/zinc/52/79/34/459527934.db2.gz DMZBAKMSBAQNKJ-NSHDSACASA-N 1 1 325.796 3.153 10 5 EGBEMO COC(=O)c1c(Cl)c(N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000596236232 459569894 /nfs/dbraw/zinc/56/98/94/459569894.db2.gz KYUCZMGHOFLWAL-SNVBAGLBSA-N 1 1 343.811 3.175 10 5 EGBEMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000583974050 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3.323 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000597212637 459879410 /nfs/dbraw/zinc/87/94/10/459879410.db2.gz WEJRKADFEXNGOK-LBPRGKRZSA-N 1 1 326.368 3.184 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)s2)cc1 ZINC000597212650 459879489 /nfs/dbraw/zinc/87/94/89/459879489.db2.gz WOJBLLSBMNTQNJ-SUMWQHHRSA-N 1 1 330.409 3.280 10 5 EGBEMO CC(C)(C)[N@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000575186934 459945503 /nfs/dbraw/zinc/94/55/03/459945503.db2.gz CAWWZEUXMUTTCZ-UHFFFAOYSA-N 1 1 328.416 3.454 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)s2)cc1 ZINC000593687646 459950438 /nfs/dbraw/zinc/95/04/38/459950438.db2.gz LTVXOUKNERLPPK-VXOUBLIBSA-N 1 1 348.449 3.029 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000589514090 460098467 /nfs/dbraw/zinc/09/84/67/460098467.db2.gz BKBJASCFUKXTEI-SKDRFNHKSA-N 1 1 346.305 3.154 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000589514090 460098471 /nfs/dbraw/zinc/09/84/71/460098471.db2.gz BKBJASCFUKXTEI-SKDRFNHKSA-N 1 1 346.305 3.154 10 5 EGBEMO Cn1ccnc1C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000610272856 460101002 /nfs/dbraw/zinc/10/10/02/460101002.db2.gz VAEAKMIMIWFUJA-HNNXBMFYSA-N 1 1 342.424 3.463 10 5 EGBEMO Cc1cccc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000614978213 460257370 /nfs/dbraw/zinc/25/73/70/460257370.db2.gz OAVISYFSUCOIDL-AWEZNQCLSA-N 1 1 326.400 3.430 10 5 EGBEMO Cc1c(NC(=O)CC[N@H+]2CCCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000599672912 460305671 /nfs/dbraw/zinc/30/56/71/460305671.db2.gz JNEPJDPJPPRNID-UHFFFAOYSA-N 1 1 331.416 3.498 10 5 EGBEMO C[C@](CO)([NH2+]Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150568 460733840 /nfs/dbraw/zinc/73/38/40/460733840.db2.gz ZOPOSEQBHVXCBG-CQSZACIVSA-N 1 1 326.805 3.307 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000730732452 575015057 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ZINC001193211964 1367966956 /nfs/dbraw/zinc/96/69/56/1367966956.db2.gz ZXVDQXPXEGLVRL-GOSISDBHSA-N 1 1 340.427 3.086 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC001196771841 1368681110 /nfs/dbraw/zinc/68/11/10/1368681110.db2.gz HDXLIIRIVPXXCL-PKOBYXMFSA-N 1 1 342.395 3.301 10 5 EGBEMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001197468427 1368821451 /nfs/dbraw/zinc/82/14/51/1368821451.db2.gz KCEKLDMVYYQNPS-GFCCVEGCSA-N 1 1 340.807 3.413 10 5 EGBEMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001130585687 1373566419 /nfs/dbraw/zinc/56/64/19/1373566419.db2.gz LDTPWGQYUIEQDH-MGPQQGTHSA-N 1 1 347.459 3.445 10 5 EGBEMO C/C(=C/C(=O)N(C)CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001327187335 1388429924 /nfs/dbraw/zinc/42/99/24/1388429924.db2.gz GYBHNFLMJSSYDA-QINSGFPZSA-N 1 1 345.443 3.231 10 5 EGBEMO CC[N@H+](CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001300337366 1383659906 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343.221 3.357 10 5 EGBEMO Cc1ccc(CN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001171734771 1384619379 /nfs/dbraw/zinc/61/93/79/1384619379.db2.gz LAZCQUJIFFNBKW-IBGZPJMESA-N 1 1 339.439 3.262 10 5 EGBEMO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001171734771 1384619381 /nfs/dbraw/zinc/61/93/81/1384619381.db2.gz LAZCQUJIFFNBKW-IBGZPJMESA-N 1 1 339.439 3.262 10 5 EGBEMO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC001171734771 1384619385 /nfs/dbraw/zinc/61/93/85/1384619385.db2.gz LAZCQUJIFFNBKW-IBGZPJMESA-N 1 1 339.439 3.262 10 5 EGBEMO CCC1(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001317467289 1385160631 /nfs/dbraw/zinc/16/06/31/1385160631.db2.gz FZWPEJQLEBMKRA-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC1(C)CC(C(=O)NCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001317549869 1385306381 /nfs/dbraw/zinc/30/63/81/1385306381.db2.gz KFKDUHDDQOVZFT-UHFFFAOYSA-N 1 1 345.443 3.112 10 5 EGBEMO CC1(C)CC(C(=O)NCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001317549869 1385306388 /nfs/dbraw/zinc/30/63/88/1385306388.db2.gz KFKDUHDDQOVZFT-UHFFFAOYSA-N 1 1 345.443 3.112 10 5 EGBEMO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001176422955 1385582542 /nfs/dbraw/zinc/58/25/42/1385582542.db2.gz QRBSSWURFGBEDV-KRWDZBQOSA-N 1 1 343.339 3.291 10 5 EGBEMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)C1CC1 ZINC001319995865 1386443328 /nfs/dbraw/zinc/44/33/28/1386443328.db2.gz UVMOGYPUXVNDPA-UHFFFAOYSA-N 1 1 347.459 3.311 10 5 EGBEMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)C1CC1 ZINC001319995865 1386443334 /nfs/dbraw/zinc/44/33/34/1386443334.db2.gz UVMOGYPUXVNDPA-UHFFFAOYSA-N 1 1 347.459 3.311 10 5 EGBEMO C[C@@H]1C[C@H](N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC001330029436 1389288326 /nfs/dbraw/zinc/28/83/26/1389288326.db2.gz KFXOEVCQLKEQMQ-GHMZBOCLSA-N 1 1 349.822 3.110 10 5 EGBEMO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)n1 ZINC001340939291 1390409347 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3.230 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C)CC1 ZINC001700188390 1413613128 /nfs/dbraw/zinc/61/31/28/1413613128.db2.gz GFXGTDDZNCJBCG-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCCCC1 ZINC001732573468 1428771405 /nfs/dbraw/zinc/77/14/05/1428771405.db2.gz AAUKLTFIENNFFU-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)=C1CCCC1 ZINC001732579784 1428784197 /nfs/dbraw/zinc/78/41/97/1428784197.db2.gz VFWPFOBQAOMPJQ-UHFFFAOYSA-N 1 1 349.406 3.283 10 5 EGBEMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(F)=C1CCCC1 ZINC001732579784 1428784201 /nfs/dbraw/zinc/78/42/01/1428784201.db2.gz VFWPFOBQAOMPJQ-UHFFFAOYSA-N 1 1 349.406 3.283 10 5 EGBEMO Cc1csc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001712946604 1417506400 /nfs/dbraw/zinc/50/64/00/1417506400.db2.gz XEFBRZQSHWCTKO-UHFFFAOYSA-N 1 1 347.440 3.217 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713545487 1418313541 /nfs/dbraw/zinc/31/35/41/1418313541.db2.gz CHQMMWCNTZHGAP-UHFFFAOYSA-N 1 1 341.411 3.237 10 5 EGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183333998 529760855 /nfs/dbraw/zinc/76/08/55/529760855.db2.gz GAOKFGHMRQJHOK-QGZVFWFLSA-N 1 1 328.416 3.499 10 5 EGBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000183318005 235005799 /nfs/dbraw/zinc/00/57/99/235005799.db2.gz CKKOREQTPLCVLN-CQSZACIVSA-N 1 1 330.388 3.049 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000079462152 217227710 /nfs/dbraw/zinc/22/77/10/217227710.db2.gz GQEZBEDMVCYSBJ-PBHICJAKSA-N 1 1 335.448 3.156 10 5 EGBEMO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000266493587 248330294 /nfs/dbraw/zinc/33/02/94/248330294.db2.gz TYNMOEMPXGREPR-QWHCGFSZSA-N 1 1 348.424 3.410 10 5 EGBEMO C[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000093645066 218237871 /nfs/dbraw/zinc/23/78/71/218237871.db2.gz KIJXKTNRIOVRMC-AAEUAGOBSA-N 1 1 343.374 3.111 10 5 EGBEMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357931001 141360179 /nfs/dbraw/zinc/36/01/79/141360179.db2.gz GMRJOECMBSBFLA-UONOGXRCSA-N 1 1 336.436 3.075 10 5 EGBEMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000337286598 154260672 /nfs/dbraw/zinc/26/06/72/154260672.db2.gz KQWJFZICXKGNBL-SFHVURJKSA-N 1 1 344.415 3.324 10 5 EGBEMO CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000127100316 162321868 /nfs/dbraw/zinc/32/18/68/162321868.db2.gz JTIJCDWCPHFGEH-KRWDZBQOSA-N 1 1 343.431 3.222 10 5 EGBEMO COc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)n1 ZINC000337137596 163140960 /nfs/dbraw/zinc/14/09/60/163140960.db2.gz OGVHONKCAWPLCT-UHFFFAOYSA-N 1 1 330.388 3.112 10 5 EGBEMO COc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)n1 ZINC000337137596 163140963 /nfs/dbraw/zinc/14/09/63/163140963.db2.gz OGVHONKCAWPLCT-UHFFFAOYSA-N 1 1 330.388 3.112 10 5 EGBEMO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422879 165393813 /nfs/dbraw/zinc/39/38/13/165393813.db2.gz LMRYXGPYCDCDHI-NVXWUHKLSA-N 1 1 332.400 3.137 10 5 EGBEMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422879 165393815 /nfs/dbraw/zinc/39/38/15/165393815.db2.gz LMRYXGPYCDCDHI-NVXWUHKLSA-N 1 1 332.400 3.137 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1C(F)(F)F ZINC000367905818 168282500 /nfs/dbraw/zinc/28/25/00/168282500.db2.gz CAYILJSVSVDVAV-SECBINFHSA-N 1 1 326.278 3.306 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1C(F)(F)F ZINC000367905818 168282502 /nfs/dbraw/zinc/28/25/02/168282502.db2.gz CAYILJSVSVDVAV-SECBINFHSA-N 1 1 326.278 3.306 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000122569368 222114769 /nfs/dbraw/zinc/11/47/69/222114769.db2.gz YMUYKLXYXHDTCH-IAQYHMDHSA-N 1 1 339.823 3.051 10 5 EGBEMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000193637051 266049665 /nfs/dbraw/zinc/04/96/65/266049665.db2.gz GEEMVFXSTMBNSL-GFCCVEGCSA-N 1 1 347.371 3.184 10 5 EGBEMO Cc1cc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338655999 274706453 /nfs/dbraw/zinc/70/64/53/274706453.db2.gz PRINIEBDJLMMBQ-UHFFFAOYSA-N 1 1 329.322 3.206 10 5 EGBEMO CC[N@H+]1CCC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000048505779 275146597 /nfs/dbraw/zinc/14/65/97/275146597.db2.gz KIFSXBSZOAWAMD-NSHDSACASA-N 1 1 328.210 3.254 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373971903 290251316 /nfs/dbraw/zinc/25/13/16/290251316.db2.gz KLSXZOVOWTUSBC-BASYENTBSA-N 1 1 334.416 3.314 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373971903 290251321 /nfs/dbraw/zinc/25/13/21/290251321.db2.gz KLSXZOVOWTUSBC-BASYENTBSA-N 1 1 334.416 3.314 10 5 EGBEMO Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295997232 308382993 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Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000735220534 575617738 /nfs/dbraw/zinc/61/77/38/575617738.db2.gz XXNCCFJPOONVEL-KRWDZBQOSA-N 1 1 340.379 3.335 10 5 EGBEMO COc1cccc(C(=O)O[C@H](C)C[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000870784715 1296077787 /nfs/dbraw/zinc/07/77/87/1296077787.db2.gz JZEOOYSAPOOVAN-CHWSQXEVSA-N 1 1 336.388 3.023 10 5 EGBEMO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000872061525 1296708965 /nfs/dbraw/zinc/70/89/65/1296708965.db2.gz FRCXYGFPGJCEDI-ZYIUAKIQSA-N 1 1 338.379 3.111 10 5 EGBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000882001200 1301779930 /nfs/dbraw/zinc/77/99/30/1301779930.db2.gz MMVWRTUQCVULMH-UHFFFAOYSA-N 1 1 331.416 3.252 10 5 EGBEMO CC(=O)NCCCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636107 1328921738 /nfs/dbraw/zinc/92/17/38/1328921738.db2.gz CZKQXGYJAYGQPP-KRWDZBQOSA-N 1 1 333.432 3.081 10 5 EGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 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CC(C)(C(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001691222281 1405163007 /nfs/dbraw/zinc/16/30/07/1405163007.db2.gz YBNVFUQIJYQYRV-UHFFFAOYSA-N 1 1 345.443 3.112 10 5 EGBEMO CC(C)(C(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001691222281 1405163012 /nfs/dbraw/zinc/16/30/12/1405163012.db2.gz YBNVFUQIJYQYRV-UHFFFAOYSA-N 1 1 345.443 3.112 10 5 EGBEMO CCC1(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001732135856 1428381752 /nfs/dbraw/zinc/38/17/52/1428381752.db2.gz BBEJKLJUSXZWCA-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO C[N@H+](CCNC(=O)C1(C)C(C)(C)C1(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001713478558 1418162258 /nfs/dbraw/zinc/16/22/58/1418162258.db2.gz GDRAKANZCRXHOS-UHFFFAOYSA-N 1 1 347.459 3.215 10 5 EGBEMO C[N@@H+](CCNC(=O)C1(C)C(C)(C)C1(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001713478558 1418162262 /nfs/dbraw/zinc/16/22/62/1418162262.db2.gz GDRAKANZCRXHOS-UHFFFAOYSA-N 1 1 347.459 3.215 10 5 EGBEMO CCC[N@@H+](CCNC(=O)C1(C)CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731868210 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3.180 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188073789 144167945 /nfs/dbraw/zinc/16/79/45/144167945.db2.gz LXAYCVBWXJCKJT-OLZOCXBDSA-N 1 1 336.388 3.003 10 5 EGBEMO COc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000343637213 164000712 /nfs/dbraw/zinc/00/07/12/164000712.db2.gz XZJRXYDOKCZASM-UHFFFAOYSA-N 1 1 345.374 3.063 10 5 EGBEMO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422878 165393571 /nfs/dbraw/zinc/39/35/71/165393571.db2.gz LMRYXGPYCDCDHI-DOTOQJQBSA-N 1 1 332.400 3.137 10 5 EGBEMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422878 165393574 /nfs/dbraw/zinc/39/35/74/165393574.db2.gz LMRYXGPYCDCDHI-DOTOQJQBSA-N 1 1 332.400 3.137 10 5 EGBEMO O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000116296062 275189394 /nfs/dbraw/zinc/18/93/94/275189394.db2.gz CIQLNMKPPVZQOI-OAHLLOKOSA-N 1 1 329.356 3.354 10 5 EGBEMO CO[C@H]1C[C@@H]([N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000289110189 276292164 /nfs/dbraw/zinc/29/21/64/276292164.db2.gz CTMLQTFWYHKCIX-GASCZTMLSA-N 1 1 333.413 3.328 10 5 EGBEMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000289110189 276292165 /nfs/dbraw/zinc/29/21/65/276292165.db2.gz CTMLQTFWYHKCIX-GASCZTMLSA-N 1 1 333.413 3.328 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000289755370 276388768 /nfs/dbraw/zinc/38/87/68/276388768.db2.gz RLDAUGVSJMAKCK-MNOVXSKESA-N 1 1 340.811 3.195 10 5 EGBEMO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414942319 309110329 /nfs/dbraw/zinc/11/03/29/309110329.db2.gz MMOJFYLFAOUJED-BLLLJJGKSA-N 1 1 331.441 3.411 10 5 EGBEMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430217217 309601867 /nfs/dbraw/zinc/60/18/67/309601867.db2.gz JDYUJMGKCOLFLI-LBPRGKRZSA-N 1 1 346.383 3.471 10 5 EGBEMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc4cccnc4o3)CC2)c1 ZINC000449015738 310029171 /nfs/dbraw/zinc/02/91/71/310029171.db2.gz MCEUFCVDIJGWKM-UHFFFAOYSA-N 1 1 338.367 3.058 10 5 EGBEMO Cc1c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271621 310169012 /nfs/dbraw/zinc/16/90/12/310169012.db2.gz VFQULMBQYVGANM-HKUYNNGSSA-N 1 1 344.386 3.203 10 5 EGBEMO Cc1c(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271621 310169013 /nfs/dbraw/zinc/16/90/13/310169013.db2.gz VFQULMBQYVGANM-HKUYNNGSSA-N 1 1 344.386 3.203 10 5 EGBEMO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488765152 311079161 /nfs/dbraw/zinc/07/91/61/311079161.db2.gz HJXOXRWNLXVYQY-AWEZNQCLSA-N 1 1 340.427 3.454 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@@H+](C)C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000490109967 311133516 /nfs/dbraw/zinc/13/35/16/311133516.db2.gz YDFHRHGRGDANKV-UHFFFAOYSA-N 1 1 335.404 3.197 10 5 EGBEMO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000539376821 314309330 /nfs/dbraw/zinc/30/93/30/314309330.db2.gz JXBQGHAFHMTXML-NSHDSACASA-N 1 1 332.356 3.442 10 5 EGBEMO C[N@H+]1CCCC12CCN(c1c3ccccc3ncc1[N+](=O)[O-])CC2 ZINC000580750168 325290797 /nfs/dbraw/zinc/29/07/97/325290797.db2.gz ZKARTJBOLYVOKM-UHFFFAOYSA-N 1 1 326.400 3.208 10 5 EGBEMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000181254084 455308025 /nfs/dbraw/zinc/30/80/25/455308025.db2.gz GDOFCLQNOVHTPB-CQSZACIVSA-N 1 1 349.456 3.016 10 5 EGBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)cc1 ZINC000003541985 452779789 /nfs/dbraw/zinc/77/97/89/452779789.db2.gz BKMVTLDLLUMKGN-GFCCVEGCSA-N 1 1 331.347 3.193 10 5 EGBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000003541985 452779795 /nfs/dbraw/zinc/77/97/95/452779795.db2.gz BKMVTLDLLUMKGN-GFCCVEGCSA-N 1 1 331.347 3.193 10 5 EGBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)cc1 ZINC000003541984 452779933 /nfs/dbraw/zinc/77/99/33/452779933.db2.gz BKMVTLDLLUMKGN-LBPRGKRZSA-N 1 1 331.347 3.193 10 5 EGBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000003541984 452779942 /nfs/dbraw/zinc/77/99/42/452779942.db2.gz BKMVTLDLLUMKGN-LBPRGKRZSA-N 1 1 331.347 3.193 10 5 EGBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000190450318 455320588 /nfs/dbraw/zinc/32/05/88/455320588.db2.gz IUEHLWNULMVIIK-HNNXBMFYSA-N 1 1 344.390 3.087 10 5 EGBEMO Cc1sc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000054286531 453920858 /nfs/dbraw/zinc/92/08/58/453920858.db2.gz KAEKORPMJTWFOG-NSHDSACASA-N 1 1 339.461 3.205 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000068255500 454011704 /nfs/dbraw/zinc/01/17/04/454011704.db2.gz WGFWXHHRWVWDJL-ZDUSSCGKSA-N 1 1 332.429 3.325 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2CCc2ccccc2)c1 ZINC000090010421 454261969 /nfs/dbraw/zinc/26/19/69/454261969.db2.gz OAJFYDFGQNKTJT-QGZVFWFLSA-N 1 1 328.416 3.279 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246138789 455435184 /nfs/dbraw/zinc/43/51/84/455435184.db2.gz NKFCCPNZEXKUDU-CABCVRRESA-N 1 1 326.400 3.485 10 5 EGBEMO Cc1ccc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000090519439 454315299 /nfs/dbraw/zinc/31/52/99/454315299.db2.gz ONTOYWMMBPDBJS-SFHVURJKSA-N 1 1 341.411 3.210 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000080651559 454612197 /nfs/dbraw/zinc/61/21/97/454612197.db2.gz CMSHWJSVOIDEQR-LBPRGKRZSA-N 1 1 325.384 3.053 10 5 EGBEMO Cc1cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ncc1[N+](=O)[O-] ZINC000074768151 454632528 /nfs/dbraw/zinc/63/25/28/454632528.db2.gz WQTOQYORAGHAHG-OAHLLOKOSA-N 1 1 337.383 3.428 10 5 EGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000105853013 454660422 /nfs/dbraw/zinc/66/04/22/454660422.db2.gz DWFONRDSQBVBBG-OAHLLOKOSA-N 1 1 342.399 3.139 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124745139 454766737 /nfs/dbraw/zinc/76/67/37/454766737.db2.gz GGLBTSXJKXJWNW-HIFRSBDPSA-N 1 1 347.459 3.447 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176725034 454776347 /nfs/dbraw/zinc/77/63/47/454776347.db2.gz VBNWDIWLRUOPQD-IJEWVQPXSA-N 1 1 348.447 3.088 10 5 EGBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170969662 455008186 /nfs/dbraw/zinc/00/81/86/455008186.db2.gz LSMAIXBZYRHGBQ-HNNXBMFYSA-N 1 1 333.435 3.460 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000152136290 455077873 /nfs/dbraw/zinc/07/78/73/455077873.db2.gz CELUFOCCWZWNFA-GFCCVEGCSA-N 1 1 333.417 3.031 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000152136290 455077878 /nfs/dbraw/zinc/07/78/78/455077878.db2.gz CELUFOCCWZWNFA-GFCCVEGCSA-N 1 1 333.417 3.031 10 5 EGBEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177707 455132771 /nfs/dbraw/zinc/13/27/71/455132771.db2.gz NOXDOSCCWCHWOY-LBPRGKRZSA-N 1 1 349.822 3.239 10 5 EGBEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177707 455132775 /nfs/dbraw/zinc/13/27/75/455132775.db2.gz NOXDOSCCWCHWOY-LBPRGKRZSA-N 1 1 349.822 3.239 10 5 EGBEMO CC[N@@H+](CCc1nccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000159260949 455365188 /nfs/dbraw/zinc/36/51/88/455365188.db2.gz BAMCPUQPBSGBBB-UHFFFAOYSA-N 1 1 332.385 3.257 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000175204169 455425767 /nfs/dbraw/zinc/42/57/67/455425767.db2.gz PBKUSEVAGYEJKT-QGZVFWFLSA-N 1 1 344.415 3.336 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000175204169 455425772 /nfs/dbraw/zinc/42/57/72/455425772.db2.gz PBKUSEVAGYEJKT-QGZVFWFLSA-N 1 1 344.415 3.336 10 5 EGBEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182109921 455437860 /nfs/dbraw/zinc/43/78/60/455437860.db2.gz MUFIFPGSZLQVNR-CYBMUJFWSA-N 1 1 349.822 3.239 10 5 EGBEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182109921 455437866 /nfs/dbraw/zinc/43/78/66/455437866.db2.gz MUFIFPGSZLQVNR-CYBMUJFWSA-N 1 1 349.822 3.239 10 5 EGBEMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278033354 455740261 /nfs/dbraw/zinc/74/02/61/455740261.db2.gz KEUZEULSLPIEGF-UHFFFAOYSA-N 1 1 349.434 3.260 10 5 EGBEMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1c1ccccc1[N+](=O)[O-] ZINC000252484572 455809943 /nfs/dbraw/zinc/80/99/43/455809943.db2.gz FZNKKYXOZHCMJN-LSDHHAIUSA-N 1 1 335.448 3.045 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261747103 455939566 /nfs/dbraw/zinc/93/95/66/455939566.db2.gz PUFUHOROMNTGOO-MJGOQNOKSA-N 1 1 325.412 3.078 10 5 EGBEMO C[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000270800785 456041802 /nfs/dbraw/zinc/04/18/02/456041802.db2.gz UGIUXMTYQHPJRH-DZGCQCFKSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000270800785 456041807 /nfs/dbraw/zinc/04/18/07/456041807.db2.gz UGIUXMTYQHPJRH-DZGCQCFKSA-N 1 1 334.326 3.125 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000601133054 460725251 /nfs/dbraw/zinc/72/52/51/460725251.db2.gz SJMIRAHCVPOBAU-ZIAGYGMSSA-N 1 1 327.384 3.396 10 5 EGBEMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352779011 456297894 /nfs/dbraw/zinc/29/78/94/456297894.db2.gz MZANJOSLLXIVTE-GFCCVEGCSA-N 1 1 346.383 3.471 10 5 EGBEMO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000302668344 456371527 /nfs/dbraw/zinc/37/15/27/456371527.db2.gz NCFVDNIULUIGBS-UHFFFAOYSA-N 1 1 346.818 3.422 10 5 EGBEMO Cc1cc([N+](=O)[O-])cnc1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000302668344 456371536 /nfs/dbraw/zinc/37/15/36/456371536.db2.gz NCFVDNIULUIGBS-UHFFFAOYSA-N 1 1 346.818 3.422 10 5 EGBEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282473712 456525726 /nfs/dbraw/zinc/52/57/26/456525726.db2.gz KWKBHZLWQDGMTB-XJOINEQPSA-N 1 1 336.407 3.495 10 5 EGBEMO Cc1ccncc1N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340593465 456555147 /nfs/dbraw/zinc/55/51/47/456555147.db2.gz AXYQMYNVWBHYMQ-HNNXBMFYSA-N 1 1 326.400 3.181 10 5 EGBEMO COc1cc(C[N@@H+](C)CCCN(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000353546871 456750205 /nfs/dbraw/zinc/75/02/05/456750205.db2.gz XDSFUTHOYYEWCH-UHFFFAOYSA-N 1 1 347.415 3.150 10 5 EGBEMO COc1cc(CN(C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000353546871 456750214 /nfs/dbraw/zinc/75/02/14/456750214.db2.gz XDSFUTHOYYEWCH-UHFFFAOYSA-N 1 1 347.415 3.150 10 5 EGBEMO COc1cc(CN(C)CCC[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000353546871 456750221 /nfs/dbraw/zinc/75/02/21/456750221.db2.gz XDSFUTHOYYEWCH-UHFFFAOYSA-N 1 1 347.415 3.150 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353610615 456801801 /nfs/dbraw/zinc/80/18/01/456801801.db2.gz XEQLTWPTTGYPHU-CVEARBPZSA-N 1 1 326.400 3.340 10 5 EGBEMO Cc1cccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292136716 456865028 /nfs/dbraw/zinc/86/50/28/456865028.db2.gz LWTJXMQKIBOYIB-UHFFFAOYSA-N 1 1 327.384 3.367 10 5 EGBEMO CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000338992073 456889295 /nfs/dbraw/zinc/88/92/95/456889295.db2.gz DYGCYRCTEMMQDR-AWEZNQCLSA-N 1 1 343.349 3.282 10 5 EGBEMO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347004555 457196355 /nfs/dbraw/zinc/19/63/55/457196355.db2.gz CCRJDGOOZSCWRA-CQSZACIVSA-N 1 1 345.424 3.118 10 5 EGBEMO COc1cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000352524577 457437863 /nfs/dbraw/zinc/43/78/63/457437863.db2.gz CHJFBMJPVOYMOX-CYBMUJFWSA-N 1 1 330.384 3.372 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)C(F)(F)F)c2ccccc2)c1 ZINC000352556199 457464747 /nfs/dbraw/zinc/46/47/47/457464747.db2.gz WPDLLEUDNSLKBK-LSDHHAIUSA-N 1 1 340.301 3.197 10 5 EGBEMO CC(C)c1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000426379833 457817179 /nfs/dbraw/zinc/81/71/79/457817179.db2.gz QOWKJLVBRKQRQF-UHFFFAOYSA-N 1 1 327.384 3.377 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1[N+](=O)[O-] ZINC000426379833 457817188 /nfs/dbraw/zinc/81/71/88/457817188.db2.gz QOWKJLVBRKQRQF-UHFFFAOYSA-N 1 1 327.384 3.377 10 5 EGBEMO COCC[N@H+](Cc1scnc1C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000426562362 457855702 /nfs/dbraw/zinc/85/57/02/457855702.db2.gz RQJQECANQOCVKB-UHFFFAOYSA-N 1 1 335.429 3.317 10 5 EGBEMO COCC[N@@H+](Cc1scnc1C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000426562362 457855707 /nfs/dbraw/zinc/85/57/07/457855707.db2.gz RQJQECANQOCVKB-UHFFFAOYSA-N 1 1 335.429 3.317 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000371451287 457938353 /nfs/dbraw/zinc/93/83/53/457938353.db2.gz CMROQVAYPLLUJT-OAHLLOKOSA-N 1 1 342.399 3.033 10 5 EGBEMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC(C)(C)C1 ZINC000412035739 458056828 /nfs/dbraw/zinc/05/68/28/458056828.db2.gz LPSSCWOAHZDACQ-UHFFFAOYSA-N 1 1 349.431 3.443 10 5 EGBEMO Cc1ccc(OC(F)F)c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000428353851 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XCQWDRPQZXFJCQ-UHFFFAOYSA-N 1 1 327.384 3.061 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H]4COC[C@H]4C3)o2)cc1 ZINC000597232786 459886754 /nfs/dbraw/zinc/88/67/54/459886754.db2.gz WKTCYQJTAZLFJT-HUUCEWRRSA-N 1 1 328.368 3.323 10 5 EGBEMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC1(F)F ZINC000588232732 459935155 /nfs/dbraw/zinc/93/51/55/459935155.db2.gz ZPQHPXYSOBTHBQ-MFKMUULPSA-N 1 1 327.331 3.089 10 5 EGBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000593727683 459965565 /nfs/dbraw/zinc/96/55/65/459965565.db2.gz QIEFKQQTFIEUGM-QGZVFWFLSA-N 1 1 347.802 3.100 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000597859830 460082894 /nfs/dbraw/zinc/08/28/94/460082894.db2.gz YTUGXNYERQAYSA-CQSZACIVSA-N 1 1 333.432 3.123 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[N@H+]1CCc2n[nH]cc2C1 ZINC000598937972 460096513 /nfs/dbraw/zinc/09/65/13/460096513.db2.gz ARAFHWPUXLKPHV-CXAGYDPISA-N 1 1 326.400 3.087 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cccc(C)c3C2)c1 ZINC000589515134 460098808 /nfs/dbraw/zinc/09/88/08/460098808.db2.gz DLQDMBMBNKIHFY-UHFFFAOYSA-N 1 1 340.379 3.248 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cccc(C)c3C2)c1 ZINC000589515134 460098815 /nfs/dbraw/zinc/09/88/15/460098815.db2.gz DLQDMBMBNKIHFY-UHFFFAOYSA-N 1 1 340.379 3.248 10 5 EGBEMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000599166533 460184036 /nfs/dbraw/zinc/18/40/36/460184036.db2.gz XMFWTTDGUOONCI-LLVKDONJSA-N 1 1 344.337 3.437 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987922 460211744 /nfs/dbraw/zinc/21/17/44/460211744.db2.gz VZRLMPAENNHKFR-UHIISALHSA-N 1 1 332.322 3.067 10 5 EGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179444 460302655 /nfs/dbraw/zinc/30/26/55/460302655.db2.gz CORXUFZLPKQOBT-GXSJLCMTSA-N 1 1 338.314 3.293 10 5 EGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179444 460302657 /nfs/dbraw/zinc/30/26/57/460302657.db2.gz CORXUFZLPKQOBT-GXSJLCMTSA-N 1 1 338.314 3.293 10 5 EGBEMO CC(C)c1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000600181543 460425101 /nfs/dbraw/zinc/42/51/01/460425101.db2.gz TZCMJQFGJZIVPH-IBGZPJMESA-N 1 1 344.411 3.421 10 5 EGBEMO Cc1c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600227346 460451483 /nfs/dbraw/zinc/45/14/83/460451483.db2.gz APCOCPKAWVJYSM-OAHLLOKOSA-N 1 1 331.416 3.040 10 5 EGBEMO C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734001287 575420933 /nfs/dbraw/zinc/42/09/33/575420933.db2.gz QAXCNHYLTRGGJY-NSHDSACASA-N 1 1 325.796 3.451 10 5 EGBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744429731 576827964 /nfs/dbraw/zinc/82/79/64/576827964.db2.gz ZZCIOFBFYFNTDK-WDEREUQCSA-N 1 1 325.796 3.307 10 5 EGBEMO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872026971 1296671340 /nfs/dbraw/zinc/67/13/40/1296671340.db2.gz JGRYTHOILAHLDU-KBPBESRZSA-N 1 1 348.374 3.133 10 5 EGBEMO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048789 1296699681 /nfs/dbraw/zinc/69/96/81/1296699681.db2.gz MHKHFDZASYTJQT-RULNZOCKSA-N 1 1 336.388 3.322 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896237230 1309761899 /nfs/dbraw/zinc/76/18/99/1309761899.db2.gz LDFSFPRELFYJGQ-INDWDQIESA-N 1 1 328.372 3.179 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000857677431 1328581869 /nfs/dbraw/zinc/58/18/69/1328581869.db2.gz LGHHDQDCXNFQKB-UHFFFAOYSA-N 1 1 327.812 3.098 10 5 EGBEMO C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858464389 1328768603 /nfs/dbraw/zinc/76/86/03/1328768603.db2.gz LUBCFQUHJISDMT-BBRMVZONSA-N 1 1 332.448 3.235 10 5 EGBEMO C[C@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858464389 1328768607 /nfs/dbraw/zinc/76/86/07/1328768607.db2.gz LUBCFQUHJISDMT-BBRMVZONSA-N 1 1 332.448 3.235 10 5 EGBEMO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054006 1329135977 /nfs/dbraw/zinc/13/59/77/1329135977.db2.gz FNEPSUKEBTXDNI-WDEREUQCSA-N 1 1 334.401 3.038 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000863341018 1329548481 /nfs/dbraw/zinc/54/84/81/1329548481.db2.gz TVEUGRWVJNXKMN-XQJDBVBESA-N 1 1 331.372 3.138 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000863341018 1329548482 /nfs/dbraw/zinc/54/84/82/1329548482.db2.gz TVEUGRWVJNXKMN-XQJDBVBESA-N 1 1 331.372 3.138 10 5 EGBEMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001186372409 1387930547 /nfs/dbraw/zinc/93/05/47/1387930547.db2.gz FVGHTJJHXTXIPS-AWEZNQCLSA-N 1 1 347.415 3.119 10 5 EGBEMO C[C@H]1CN(C)c2ccccc2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001196175564 1368563013 /nfs/dbraw/zinc/56/30/13/1368563013.db2.gz MADKFRHBWCLMDT-HNNXBMFYSA-N 1 1 341.411 3.314 10 5 EGBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1F ZINC001126597892 1372980052 /nfs/dbraw/zinc/98/00/52/1372980052.db2.gz RYWZXRNSXNOSEW-CQSZACIVSA-N 1 1 349.406 3.037 10 5 EGBEMO CCC[N@H+]1CCC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001151770444 1379776627 /nfs/dbraw/zinc/77/66/27/1379776627.db2.gz UPSREMZXKDLPBT-INIZCTEOSA-N 1 1 345.443 3.208 10 5 EGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001287942148 1381431913 /nfs/dbraw/zinc/43/19/13/1381431913.db2.gz GJKBYTGFDVXJCD-KRWDZBQOSA-N 1 1 331.416 3.122 10 5 EGBEMO C[C@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1[N+](=O)[O-] ZINC001288218565 1381733452 /nfs/dbraw/zinc/73/34/52/1381733452.db2.gz DXVARAOMWUPTBE-LBPRGKRZSA-N 1 1 338.323 3.094 10 5 EGBEMO Cc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001163410674 1383046016 /nfs/dbraw/zinc/04/60/16/1383046016.db2.gz AGDYPVQPWDBCIL-PHIMTYICSA-N 1 1 331.338 3.451 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ccc(F)cc1[N+](=O)[O-] ZINC001163642580 1383094207 /nfs/dbraw/zinc/09/42/07/1383094207.db2.gz HADQLXWWCWPCCB-UHFFFAOYSA-N 1 1 332.379 3.087 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1C ZINC001163930652 1383136902 /nfs/dbraw/zinc/13/69/02/1383136902.db2.gz VGSTZWZNCNBBNQ-OAHLLOKOSA-N 1 1 333.432 3.014 10 5 EGBEMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001299399179 1383525936 /nfs/dbraw/zinc/52/59/36/1383525936.db2.gz RDPPHTJSUBEJSX-HNNXBMFYSA-N 1 1 345.786 3.035 10 5 EGBEMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001308155464 1384102076 /nfs/dbraw/zinc/10/20/76/1384102076.db2.gz DNAQMJCSPLVSKD-ZXFNITATSA-N 1 1 348.443 3.435 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001175926299 1385439256 /nfs/dbraw/zinc/43/92/56/1385439256.db2.gz QIYGEFMPEWCOQV-INIZCTEOSA-N 1 1 346.358 3.396 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001176941159 1385749752 /nfs/dbraw/zinc/74/97/52/1385749752.db2.gz ZAFZCYQTXQKFJH-RBUKOAKNSA-N 1 1 342.395 3.092 10 5 EGBEMO CC[N@@H+](C)[C@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001177588026 1386002105 /nfs/dbraw/zinc/00/21/05/1386002105.db2.gz OOBGGOBKHJWFSJ-KDOFPFPSSA-N 1 1 341.411 3.465 10 5 EGBEMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C=C1CCCCC1 ZINC001319979263 1386431473 /nfs/dbraw/zinc/43/14/73/1386431473.db2.gz TUDYHMJGPXSXMO-UHFFFAOYSA-N 1 1 345.443 3.376 10 5 EGBEMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C=C1CCCCC1 ZINC001319979263 1386431475 /nfs/dbraw/zinc/43/14/75/1386431475.db2.gz TUDYHMJGPXSXMO-UHFFFAOYSA-N 1 1 345.443 3.376 10 5 EGBEMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001354809149 1392170506 /nfs/dbraw/zinc/17/05/06/1392170506.db2.gz ZYCAFUZJCCAADS-WMLDXEAASA-N 1 1 345.443 3.079 10 5 EGBEMO CCc1occc1C(=O)NCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC001480972508 1393057978 /nfs/dbraw/zinc/05/79/78/1393057978.db2.gz PKJVDDFUJUYDJB-UHFFFAOYSA-N 1 1 345.399 3.002 10 5 EGBEMO CC(C)(C)C(=O)NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001690013007 1404256084 /nfs/dbraw/zinc/25/60/84/1404256084.db2.gz YPWWHCPJLZFTHZ-UHFFFAOYSA-N 1 1 333.432 3.112 10 5 EGBEMO CC[N@@H+](CCNC(=O)C=C1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713481963 1418170227 /nfs/dbraw/zinc/17/02/27/1418170227.db2.gz WYTZZVCFKZMFMU-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO C[N@H+](CCNC(=O)CCC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001714530042 1419256353 /nfs/dbraw/zinc/25/63/53/1419256353.db2.gz CSMGPDHYTSEZHD-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO C[N@@H+](CCNC(=O)CCC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001714530042 1419256358 /nfs/dbraw/zinc/25/63/58/1419256358.db2.gz CSMGPDHYTSEZHD-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO Cc1ccccc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001715751929 1420324888 /nfs/dbraw/zinc/32/48/88/1420324888.db2.gz RQLGELQIFFKQPT-UHFFFAOYSA-N 1 1 341.411 3.107 10 5 EGBEMO Cc1ccccc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001715751929 1420324892 /nfs/dbraw/zinc/32/48/92/1420324892.db2.gz RQLGELQIFFKQPT-UHFFFAOYSA-N 1 1 341.411 3.107 10 5 EGBEMO CC1(NC(=O)C=C2CCC2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001716794817 1420927985 /nfs/dbraw/zinc/92/79/85/1420927985.db2.gz UARLTQAZPWAXKY-UHFFFAOYSA-N 1 1 349.456 3.237 10 5 EGBEMO CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101910748 219171319 /nfs/dbraw/zinc/17/13/19/219171319.db2.gz UJTAUMFQYNODGL-GJZGRUSLSA-N 1 1 333.432 3.140 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000183373246 235033224 /nfs/dbraw/zinc/03/32/24/235033224.db2.gz FPDNSBUASOIBMS-HSZRJFAPSA-N 1 1 332.425 3.273 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000183373246 235033228 /nfs/dbraw/zinc/03/32/28/235033228.db2.gz FPDNSBUASOIBMS-HSZRJFAPSA-N 1 1 332.425 3.273 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000191344716 239054845 /nfs/dbraw/zinc/05/48/45/239054845.db2.gz VWKSDIVSLWUPLV-ZIAGYGMSSA-N 1 1 334.420 3.158 10 5 EGBEMO CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092098199 218118883 /nfs/dbraw/zinc/11/88/83/218118883.db2.gz FICYVIHKZNPZMR-HNNXBMFYSA-N 1 1 345.424 3.034 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(Cl)c1 ZINC000375406330 144594939 /nfs/dbraw/zinc/59/49/39/144594939.db2.gz TXWMLHSPKMFGEQ-GFCCVEGCSA-N 1 1 348.790 3.498 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(Cl)c1 ZINC000375406330 144594941 /nfs/dbraw/zinc/59/49/41/144594941.db2.gz TXWMLHSPKMFGEQ-GFCCVEGCSA-N 1 1 348.790 3.498 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000310812350 154144620 /nfs/dbraw/zinc/14/46/20/154144620.db2.gz VWHPROKRXYPEAV-AWEZNQCLSA-N 1 1 337.383 3.158 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000341062541 155131537 /nfs/dbraw/zinc/13/15/37/155131537.db2.gz CGNJZXLOLKTNBZ-BETUJISGSA-N 1 1 344.415 3.069 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000341063794 155131645 /nfs/dbraw/zinc/13/16/45/155131645.db2.gz FGMZQLBSYZXCOQ-BETUJISGSA-N 1 1 344.415 3.069 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000372810331 157388701 /nfs/dbraw/zinc/38/87/01/157388701.db2.gz PYPMGNIPSBJOFA-HNNXBMFYSA-N 1 1 342.399 3.163 10 5 EGBEMO CC[N@H+]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113326588 162209083 /nfs/dbraw/zinc/20/90/83/162209083.db2.gz VNBQZLFOAUUZMY-CQSZACIVSA-N 1 1 346.456 3.292 10 5 EGBEMO CCN1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113326588 162209086 /nfs/dbraw/zinc/20/90/86/162209086.db2.gz VNBQZLFOAUUZMY-CQSZACIVSA-N 1 1 346.456 3.292 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249158617 163059413 /nfs/dbraw/zinc/05/94/13/163059413.db2.gz ZHUYODJNWHLABM-UKRRQHHQSA-N 1 1 334.420 3.062 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344033828 164086992 /nfs/dbraw/zinc/08/69/92/164086992.db2.gz FWEWYJQFRQZFRC-KGLIPLIRSA-N 1 1 347.415 3.219 10 5 EGBEMO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000344430597 164177274 /nfs/dbraw/zinc/17/72/74/164177274.db2.gz DGRZGRFOZDJYED-QGZVFWFLSA-N 1 1 326.400 3.456 10 5 EGBEMO CC[NH+](CC)CC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351971227 165174168 /nfs/dbraw/zinc/17/41/68/165174168.db2.gz RBJQZKQANJNPAG-UHFFFAOYSA-N 1 1 335.448 3.157 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000359082741 167061469 /nfs/dbraw/zinc/06/14/69/167061469.db2.gz MGBZMGVLGABRLE-UHFFFAOYSA-N 1 1 326.400 3.077 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000249271051 287275443 /nfs/dbraw/zinc/27/54/43/287275443.db2.gz JOEVZRCQLMILMR-HUUCEWRRSA-N 1 1 332.448 3.268 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000122426423 222084654 /nfs/dbraw/zinc/08/46/54/222084654.db2.gz FRMINEZHGVXYSO-IAQYHMDHSA-N 1 1 339.823 3.051 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000185407361 275215283 /nfs/dbraw/zinc/21/52/83/275215283.db2.gz AFTWOOMMCTXBNA-QGPMSJSTSA-N 1 1 347.459 3.105 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000288565975 276228674 /nfs/dbraw/zinc/22/86/74/276228674.db2.gz AJKFAGBDFTUTTM-CQSZACIVSA-N 1 1 347.415 3.054 10 5 EGBEMO CC(C)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000072685569 307381323 /nfs/dbraw/zinc/38/13/23/307381323.db2.gz MAOHVVGIUXEZAT-UHFFFAOYSA-N 1 1 346.387 3.034 10 5 EGBEMO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414933860 309110043 /nfs/dbraw/zinc/11/00/43/309110043.db2.gz DTIRINZGDASDLS-SWLSCSKDSA-N 1 1 331.441 3.411 10 5 EGBEMO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419387687 309266381 /nfs/dbraw/zinc/26/63/81/309266381.db2.gz CRGGHXXJTFAGRJ-CQSZACIVSA-N 1 1 345.374 3.481 10 5 EGBEMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419387687 309266382 /nfs/dbraw/zinc/26/63/82/309266382.db2.gz CRGGHXXJTFAGRJ-CQSZACIVSA-N 1 1 345.374 3.481 10 5 EGBEMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000423232430 309391567 /nfs/dbraw/zinc/39/15/67/309391567.db2.gz CFCMIDWHIOLMQB-CZUORRHYSA-N 1 1 329.400 3.344 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000449742943 310083618 /nfs/dbraw/zinc/08/36/18/310083618.db2.gz SMVVKMOZCFYUDA-XIRDDKMYSA-N 1 1 326.400 3.053 10 5 EGBEMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451272916 310169207 /nfs/dbraw/zinc/16/92/07/310169207.db2.gz VKGSWQMMNJQWSV-YGRLFVJLSA-N 1 1 332.322 3.206 10 5 EGBEMO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452047207 310209301 /nfs/dbraw/zinc/20/93/01/310209301.db2.gz ZQMCGQXVPDPLOQ-UHFFFAOYSA-N 1 1 349.328 3.192 10 5 EGBEMO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452047207 310209302 /nfs/dbraw/zinc/20/93/02/310209302.db2.gz ZQMCGQXVPDPLOQ-UHFFFAOYSA-N 1 1 349.328 3.192 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000492786986 311291007 /nfs/dbraw/zinc/29/10/07/311291007.db2.gz CMPVWIYOSYDSSV-SFHVURJKSA-N 1 1 334.416 3.386 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510852123 312149673 /nfs/dbraw/zinc/14/96/73/312149673.db2.gz VBDZLHCARCXTRY-GASCZTMLSA-N 1 1 347.459 3.391 10 5 EGBEMO Cc1cccc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549153268 315078336 /nfs/dbraw/zinc/07/83/36/315078336.db2.gz HEJHYZKYDBDBSP-UHFFFAOYSA-N 1 1 327.384 3.016 10 5 EGBEMO Cc1cccc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549153268 315078339 /nfs/dbraw/zinc/07/83/39/315078339.db2.gz HEJHYZKYDBDBSP-UHFFFAOYSA-N 1 1 327.384 3.016 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000025416919 453771032 /nfs/dbraw/zinc/77/10/32/453771032.db2.gz LFGNSXGJKALWJW-CQSZACIVSA-N 1 1 327.384 3.362 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000025416919 453771035 /nfs/dbraw/zinc/77/10/35/453771035.db2.gz LFGNSXGJKALWJW-CQSZACIVSA-N 1 1 327.384 3.362 10 5 EGBEMO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000029483420 453829359 /nfs/dbraw/zinc/82/93/59/453829359.db2.gz CQANVOMCUPHANU-QGZVFWFLSA-N 1 1 339.395 3.461 10 5 EGBEMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000029483420 453829360 /nfs/dbraw/zinc/82/93/60/453829360.db2.gz CQANVOMCUPHANU-QGZVFWFLSA-N 1 1 339.395 3.461 10 5 EGBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccc(F)cc1 ZINC000055022497 453956941 /nfs/dbraw/zinc/95/69/41/453956941.db2.gz RVGOSUJRXROISM-CYBMUJFWSA-N 1 1 345.374 3.235 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265923341 455407336 /nfs/dbraw/zinc/40/73/36/455407336.db2.gz CSKZHFQRZZDPGT-AWEZNQCLSA-N 1 1 327.384 3.184 10 5 EGBEMO CC(C)[N@H+]1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000045654594 454172277 /nfs/dbraw/zinc/17/22/77/454172277.db2.gz WIWAFRASYVFPNW-NSHDSACASA-N 1 1 328.210 3.252 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000120246223 454277238 /nfs/dbraw/zinc/27/72/38/454277238.db2.gz FWSCNZQCLRPKOF-AWEZNQCLSA-N 1 1 334.420 3.208 10 5 EGBEMO CCC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000090223191 454294880 /nfs/dbraw/zinc/29/48/80/454294880.db2.gz XKXIFDOHWSTMJE-HZPDHXFCSA-N 1 1 329.404 3.461 10 5 EGBEMO Cc1cc(N2CCC(N(C)c3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000091478049 454439870 /nfs/dbraw/zinc/43/98/70/454439870.db2.gz LJRVOYJUEXSGJD-UHFFFAOYSA-N 1 1 341.415 3.107 10 5 EGBEMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286662 454723953 /nfs/dbraw/zinc/72/39/53/454723953.db2.gz MZBSOHTYFLRTAT-DZGCQCFKSA-N 1 1 332.404 3.420 10 5 EGBEMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000153182832 454767789 /nfs/dbraw/zinc/76/77/89/454767789.db2.gz GECFBAZHXZVGJP-UHFFFAOYSA-N 1 1 343.358 3.121 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000163214905 454831324 /nfs/dbraw/zinc/83/13/24/454831324.db2.gz CHYISIIAPRBKEO-AGUYFDCRSA-N 1 1 332.404 3.040 10 5 EGBEMO COc1cc(C[N@@H+](C)CC2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179947545 455104064 /nfs/dbraw/zinc/10/40/64/455104064.db2.gz KYVDHKNBOZVGGX-UHFFFAOYSA-N 1 1 330.331 3.089 10 5 EGBEMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000172879957 455202465 /nfs/dbraw/zinc/20/24/65/455202465.db2.gz OALGHQWHXZNGJU-NEPJUHHUSA-N 1 1 347.371 3.183 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000183336901 455278821 /nfs/dbraw/zinc/27/88/21/455278821.db2.gz KTKREUADCCWBND-OAHLLOKOSA-N 1 1 347.459 3.278 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc4cnccc43)C2)nc1 ZINC000183337417 455279665 /nfs/dbraw/zinc/27/96/65/455279665.db2.gz BLYJVKBFWRYICY-MRXNPFEDSA-N 1 1 349.394 3.224 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000246223711 455452305 /nfs/dbraw/zinc/45/23/05/455452305.db2.gz DSAJYAYKVBYTBF-ZWKOTPCHSA-N 1 1 344.436 3.418 10 5 EGBEMO Cc1csc([C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246238100 455455222 /nfs/dbraw/zinc/45/52/22/455455222.db2.gz HHDTTZJHYVIXJN-GDBMZVCRSA-N 1 1 347.440 3.273 10 5 EGBEMO Cc1nn(C)c(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000160805851 455501220 /nfs/dbraw/zinc/50/12/20/455501220.db2.gz GSZUXTBJBSUAKB-SFHVURJKSA-N 1 1 343.431 3.103 10 5 EGBEMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248123647 455683646 /nfs/dbraw/zinc/68/36/46/455683646.db2.gz UXOSDOSZEOQXDE-AEFFLSMTSA-N 1 1 339.395 3.078 10 5 EGBEMO CN(C(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000249363987 455750972 /nfs/dbraw/zinc/75/09/72/455750972.db2.gz VMNMELDSTFPCHL-WMLDXEAASA-N 1 1 331.416 3.212 10 5 EGBEMO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000221949221 456045047 /nfs/dbraw/zinc/04/50/47/456045047.db2.gz OYUDLQAAKLVWSD-JKSUJKDBSA-N 1 1 348.424 3.320 10 5 EGBEMO Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000221949221 456045051 /nfs/dbraw/zinc/04/50/51/456045051.db2.gz OYUDLQAAKLVWSD-JKSUJKDBSA-N 1 1 348.424 3.320 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000289930690 456185525 /nfs/dbraw/zinc/18/55/25/456185525.db2.gz WJTZTABWJLGBIY-GOOCMWNKSA-N 1 1 346.431 3.294 10 5 EGBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000302748423 456390681 /nfs/dbraw/zinc/39/06/81/456390681.db2.gz GBYFPFYJANNGMF-HNNXBMFYSA-N 1 1 326.400 3.187 10 5 EGBEMO Cc1ccncc1N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340593475 456555044 /nfs/dbraw/zinc/55/50/44/456555044.db2.gz AXYQMYNVWBHYMQ-OAHLLOKOSA-N 1 1 326.400 3.181 10 5 EGBEMO CCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000299462315 456700060 /nfs/dbraw/zinc/70/00/60/456700060.db2.gz FPGVZMDULHTFTH-ZBFHGGJFSA-N 1 1 333.432 3.284 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353610616 456802499 /nfs/dbraw/zinc/80/24/99/456802499.db2.gz XEQLTWPTTGYPHU-HOTGVXAUSA-N 1 1 326.400 3.340 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353751462 456889809 /nfs/dbraw/zinc/88/98/09/456889809.db2.gz PRIAFRDXAXGRFL-SFHVURJKSA-N 1 1 334.416 3.386 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCCC[C@@H]3CCO)co2)cc1 ZINC000342055076 457082707 /nfs/dbraw/zinc/08/27/07/457082707.db2.gz YIIPKDMVNPPNFA-MRXNPFEDSA-N 1 1 345.399 3.377 10 5 EGBEMO Cn1nc2c(c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000361074133 457566406 /nfs/dbraw/zinc/56/64/06/457566406.db2.gz AURYDHDOJXJVGI-UHFFFAOYSA-N 1 1 334.807 3.150 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](CO)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000425980057 457753244 /nfs/dbraw/zinc/75/32/44/457753244.db2.gz MPICDXNKLNQGCI-CHWSQXEVSA-N 1 1 346.383 3.066 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000371451286 457938413 /nfs/dbraw/zinc/93/84/13/457938413.db2.gz CMROQVAYPLLUJT-HNNXBMFYSA-N 1 1 342.399 3.033 10 5 EGBEMO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000427963411 458058398 /nfs/dbraw/zinc/05/83/98/458058398.db2.gz ISOPVGXTCNHZJA-ZDUSSCGKSA-N 1 1 325.368 3.417 10 5 EGBEMO COc1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435748582 458196578 /nfs/dbraw/zinc/19/65/78/458196578.db2.gz FVUJXFVHYVKZQR-QGZVFWFLSA-N 1 1 347.459 3.490 10 5 EGBEMO C[N@H+](CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447535658 458306164 /nfs/dbraw/zinc/30/61/64/458306164.db2.gz HOZWBVJZBAZDCD-SJORKVTESA-N 1 1 349.479 3.129 10 5 EGBEMO C[N@@H+](CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447535658 458306165 /nfs/dbraw/zinc/30/61/65/458306165.db2.gz HOZWBVJZBAZDCD-SJORKVTESA-N 1 1 349.479 3.129 10 5 EGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000462763921 458651739 /nfs/dbraw/zinc/65/17/39/458651739.db2.gz MUUUZEYNVZFRTR-RDJZCZTQSA-N 1 1 347.459 3.154 10 5 EGBEMO C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592846 459101832 /nfs/dbraw/zinc/10/18/32/459101832.db2.gz ZFXVFURIWZTRJX-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO CC(C)Oc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000578453343 459204396 /nfs/dbraw/zinc/20/43/96/459204396.db2.gz PGVGYUGNDIJDDE-CABCVRRESA-N 1 1 348.447 3.229 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595732776 459418671 /nfs/dbraw/zinc/41/86/71/459418671.db2.gz KFIXVEANDRDNOY-UXLLHSPISA-N 1 1 332.400 3.149 10 5 EGBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755709 459427040 /nfs/dbraw/zinc/42/70/40/459427040.db2.gz OSRJBDMGFUDUPQ-UONOGXRCSA-N 1 1 337.395 3.302 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](C4CC4)C3)o2)cc1 ZINC000485714870 459466136 /nfs/dbraw/zinc/46/61/36/459466136.db2.gz FOUOKUPTBXWIAL-GOSISDBHSA-N 1 1 328.368 3.466 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](C4CC4)C3)o2)cc1 ZINC000485714870 459466142 /nfs/dbraw/zinc/46/61/42/459466142.db2.gz FOUOKUPTBXWIAL-GOSISDBHSA-N 1 1 328.368 3.466 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000541718332 459481774 /nfs/dbraw/zinc/48/17/74/459481774.db2.gz IFBOTYCRIPDVJK-SFHVURJKSA-N 1 1 334.416 3.255 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000541718332 459481780 /nfs/dbraw/zinc/48/17/80/459481780.db2.gz IFBOTYCRIPDVJK-SFHVURJKSA-N 1 1 334.416 3.255 10 5 EGBEMO CCC[N@H+]1CC[C@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596089978 459516233 /nfs/dbraw/zinc/51/62/33/459516233.db2.gz SCTZCYFZKYEZTI-LLVKDONJSA-N 1 1 327.812 3.401 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1c(F)cccc1Cl)CC2 ZINC000542548489 459570377 /nfs/dbraw/zinc/57/03/77/459570377.db2.gz KMHKTLCIVLENGR-UHFFFAOYSA-N 1 1 335.766 3.383 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)co2)cc1 ZINC000593119185 459779141 /nfs/dbraw/zinc/77/91/41/459779141.db2.gz VPNUFFPQJQJUIA-HNNXBMFYSA-N 1 1 335.310 3.481 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@]4(CC4(F)F)C3)co2)cc1 ZINC000593119185 459779143 /nfs/dbraw/zinc/77/91/43/459779143.db2.gz VPNUFFPQJQJUIA-HNNXBMFYSA-N 1 1 335.310 3.481 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000596912965 459794235 /nfs/dbraw/zinc/79/42/35/459794235.db2.gz PTUPKGZVUWKQRE-HNNXBMFYSA-N 1 1 334.420 3.105 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602737633 460097351 /nfs/dbraw/zinc/09/73/51/460097351.db2.gz GOPPTMPDADFXSD-CVDKSZRLSA-N 1 1 344.333 3.101 10 5 EGBEMO Cc1sc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220993 460211507 /nfs/dbraw/zinc/21/15/07/460211507.db2.gz SWELNWHSUZXECZ-LBPRGKRZSA-N 1 1 337.445 3.102 10 5 EGBEMO C/C=C\C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599691027 460312261 /nfs/dbraw/zinc/31/22/61/460312261.db2.gz QEOAIBPUZDWRQS-JZIMQPMSSA-N 1 1 331.416 3.236 10 5 EGBEMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000182997185 547088797 /nfs/dbraw/zinc/08/87/97/547088797.db2.gz LERVXWDPDIDDLR-MRVPVSSYSA-N 1 1 339.804 3.259 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000742411326 576781278 /nfs/dbraw/zinc/78/12/78/576781278.db2.gz PBGUOGKCHIMZAP-SMDDNHRTSA-N 1 1 334.445 3.371 10 5 EGBEMO C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC1(C)C ZINC000871149526 1296239445 /nfs/dbraw/zinc/23/94/45/1296239445.db2.gz DZRFZHZUZMDWQC-UHFFFAOYSA-N 1 1 347.440 3.366 10 5 EGBEMO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872083214 1296724345 /nfs/dbraw/zinc/72/43/45/1296724345.db2.gz IXLAUMMLDKQIPW-ABAIWWIYSA-N 1 1 343.358 3.338 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCc4c[nH]nc43)c2c1 ZINC000857867994 1328608978 /nfs/dbraw/zinc/60/89/78/1328608978.db2.gz MWBKRRWFFJCPHQ-INIZCTEOSA-N 1 1 325.372 3.009 10 5 EGBEMO CCn1ncc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000858206433 1328710804 /nfs/dbraw/zinc/71/08/04/1328710804.db2.gz MOTPBHBGWGRWKD-UHFFFAOYSA-N 1 1 343.412 3.225 10 5 EGBEMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000930126685 1328791882 /nfs/dbraw/zinc/79/18/82/1328791882.db2.gz PIYJTJQSDHHPIE-QMMMGPOBSA-N 1 1 335.148 3.444 10 5 EGBEMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000930126685 1328791886 /nfs/dbraw/zinc/79/18/86/1328791886.db2.gz PIYJTJQSDHHPIE-QMMMGPOBSA-N 1 1 335.148 3.444 10 5 EGBEMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917073159 1319748863 /nfs/dbraw/zinc/74/88/63/1319748863.db2.gz GXUHMTCZOOJQGS-GFCCVEGCSA-N 1 1 333.392 3.055 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000859561990 1329017474 /nfs/dbraw/zinc/01/74/74/1329017474.db2.gz OZZHIXXZTPYZBT-WCQYABFASA-N 1 1 339.823 3.051 10 5 EGBEMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccnnc1 ZINC000926301318 1325508032 /nfs/dbraw/zinc/50/80/32/1325508032.db2.gz FYOCJZYEZNXMAY-VIFPVBQESA-N 1 1 326.278 3.254 10 5 EGBEMO C[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000927026786 1327825587 /nfs/dbraw/zinc/82/55/87/1327825587.db2.gz GRGVEDQMAXMISM-INWMFGNUSA-N 1 1 346.456 3.291 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001185685680 1387778507 /nfs/dbraw/zinc/77/85/07/1387778507.db2.gz RFTRYRGCTBFIHI-ZFWWWQNUSA-N 1 1 339.823 3.304 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195305698 1368417253 /nfs/dbraw/zinc/41/72/53/1368417253.db2.gz FIZOBBIKPKHPEH-OAHLLOKOSA-N 1 1 331.416 3.354 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001196411092 1368610022 /nfs/dbraw/zinc/61/00/22/1368610022.db2.gz YGFQHZWDYJCYSM-INIZCTEOSA-N 1 1 345.443 3.486 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)ccc1Cl ZINC001198597855 1369069531 /nfs/dbraw/zinc/06/95/31/1369069531.db2.gz ZLMWAFKGRKTIDJ-CRAIPNDOSA-N 1 1 346.814 3.284 10 5 EGBEMO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CCCC2(C)C)cc1C ZINC001186682032 1387997748 /nfs/dbraw/zinc/99/77/48/1387997748.db2.gz YSZDSMJBEJDNKZ-UHFFFAOYSA-N 1 1 349.431 3.366 10 5 EGBEMO Cc1cc(N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001186764975 1388005794 /nfs/dbraw/zinc/00/57/94/1388005794.db2.gz YBJYOCZPOFCCBQ-LLVKDONJSA-N 1 1 331.338 3.452 10 5 EGBEMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001125797057 1372858918 /nfs/dbraw/zinc/85/89/18/1372858918.db2.gz ZZDSJWSMGRBGTG-UHFFFAOYSA-N 1 1 343.730 3.081 10 5 EGBEMO CCC[N@H+]1CC[C@@H](CNc2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])C1 ZINC001162258763 1382711155 /nfs/dbraw/zinc/71/11/55/1382711155.db2.gz ROMLPGNPXRGRPI-AWEZNQCLSA-N 1 1 349.431 3.224 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1C ZINC001163930650 1383136686 /nfs/dbraw/zinc/13/66/86/1383136686.db2.gz VGSTZWZNCNBBNQ-HNNXBMFYSA-N 1 1 333.432 3.014 10 5 EGBEMO CCO[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001167665311 1383705035 /nfs/dbraw/zinc/70/50/35/1383705035.db2.gz ZDIDKFFHNLLNBB-SJORKVTESA-N 1 1 334.416 3.253 10 5 EGBEMO CCCC[N@@H+](C)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001306963359 1383927322 /nfs/dbraw/zinc/92/73/22/1383927322.db2.gz WXUPQUUQIZEWQR-UHFFFAOYSA-N 1 1 336.823 3.362 10 5 EGBEMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001306971471 1383927754 /nfs/dbraw/zinc/92/77/54/1383927754.db2.gz DSEVAARXMPWIOZ-NSHDSACASA-N 1 1 331.338 3.392 10 5 EGBEMO C[C@@H]1C[C@H](Nc2c(Br)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC001307000009 1383931429 /nfs/dbraw/zinc/93/14/29/1383931429.db2.gz RTOGZEKBYOXFSI-ZJUUUORDSA-N 1 1 340.221 3.394 10 5 EGBEMO C[C@@H]1C[C@H](Nc2c(Br)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001307000009 1383931431 /nfs/dbraw/zinc/93/14/31/1383931431.db2.gz RTOGZEKBYOXFSI-ZJUUUORDSA-N 1 1 340.221 3.394 10 5 EGBEMO COC(=O)/C=C\c1ccc(NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001307141277 1383944261 /nfs/dbraw/zinc/94/42/61/1383944261.db2.gz UROVAJPDLAHCCY-VURMDHGXSA-N 1 1 347.415 3.067 10 5 EGBEMO CC[N@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC001168838703 1384027821 /nfs/dbraw/zinc/02/78/21/1384027821.db2.gz QCAVBRFWQZVZRX-GJZGRUSLSA-N 1 1 335.448 3.297 10 5 EGBEMO CC(C)[N@@H+](CCCNC(=O)C(C)(C)F)Cc1csc([N+](=O)[O-])c1 ZINC001317680135 1385388197 /nfs/dbraw/zinc/38/81/97/1385388197.db2.gz FZUQUZYADCLHFC-UHFFFAOYSA-N 1 1 345.440 3.121 10 5 EGBEMO CO[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1C ZINC001320936085 1386763340 /nfs/dbraw/zinc/76/33/40/1386763340.db2.gz QIDSJNFQDKFNMP-YGRLFVJLSA-N 1 1 343.221 3.214 10 5 EGBEMO CO[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1C ZINC001320936085 1386763345 /nfs/dbraw/zinc/76/33/45/1386763345.db2.gz QIDSJNFQDKFNMP-YGRLFVJLSA-N 1 1 343.221 3.214 10 5 EGBEMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001338318566 1389633733 /nfs/dbraw/zinc/63/37/33/1389633733.db2.gz IDSGQFNBTNUIGW-ZDUSSCGKSA-N 1 1 345.237 3.196 10 5 EGBEMO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001338318566 1389633729 /nfs/dbraw/zinc/63/37/29/1389633729.db2.gz IDSGQFNBTNUIGW-ZDUSSCGKSA-N 1 1 345.237 3.196 10 5 EGBEMO CCCCC1(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001481642277 1394429236 /nfs/dbraw/zinc/42/92/36/1394429236.db2.gz HXYNOWABRLFSBK-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCC1 ZINC001700182712 1413598300 /nfs/dbraw/zinc/59/83/00/1413598300.db2.gz AIWHESDJYSCVQM-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO C[N@@H+](CCCNC(=O)C(F)=C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001707369719 1417297927 /nfs/dbraw/zinc/29/79/27/1417297927.db2.gz WONJKXMSOJTZKP-UHFFFAOYSA-N 1 1 349.406 3.331 10 5 EGBEMO CC[N@H+](CCNC(=O)CC(C)=C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001713490199 1418188325 /nfs/dbraw/zinc/18/83/25/1418188325.db2.gz XADJCILDDBJTGM-UHFFFAOYSA-N 1 1 333.432 3.279 10 5 EGBEMO CC[N@@H+](CCNC(=O)CC(C)=C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001713490199 1418188328 /nfs/dbraw/zinc/18/83/28/1418188328.db2.gz XADJCILDDBJTGM-UHFFFAOYSA-N 1 1 333.432 3.279 10 5 EGBEMO O=C(NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCCC1 ZINC001714661877 1419447690 /nfs/dbraw/zinc/44/76/90/1419447690.db2.gz XSZNZFFWYYTCKZ-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO O=C(NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCCC1 ZINC001714661877 1419447691 /nfs/dbraw/zinc/44/76/91/1419447691.db2.gz XSZNZFFWYYTCKZ-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181537044 234222902 /nfs/dbraw/zinc/22/29/02/234222902.db2.gz SDRMWWMAAHVPDQ-CABCVRRESA-N 1 1 345.443 3.286 10 5 EGBEMO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000378530508 169137186 /nfs/dbraw/zinc/13/71/86/169137186.db2.gz QVZXEDSEQCZGKI-UHFFFAOYSA-N 1 1 337.379 3.254 10 5 EGBEMO C[C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117336955 152094502 /nfs/dbraw/zinc/09/45/02/152094502.db2.gz GXUJNPYKSFUQJC-CYBMUJFWSA-N 1 1 333.388 3.015 10 5 EGBEMO COCC[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365792428 168043854 /nfs/dbraw/zinc/04/38/54/168043854.db2.gz CCSPGJBXTWQQBD-CYBMUJFWSA-N 1 1 337.376 3.142 10 5 EGBEMO CC(C)(C)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195068799 266158848 /nfs/dbraw/zinc/15/88/48/266158848.db2.gz UCEFLQAQKURJIB-OAHLLOKOSA-N 1 1 345.443 3.203 10 5 EGBEMO CC(C)(C)c1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195068799 266158850 /nfs/dbraw/zinc/15/88/50/266158850.db2.gz UCEFLQAQKURJIB-OAHLLOKOSA-N 1 1 345.443 3.203 10 5 EGBEMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000269659441 266335098 /nfs/dbraw/zinc/33/50/98/266335098.db2.gz PSWHASQTEACDDE-ZMYBRWDISA-N 1 1 342.395 3.090 10 5 EGBEMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000269659441 266335105 /nfs/dbraw/zinc/33/51/05/266335105.db2.gz PSWHASQTEACDDE-ZMYBRWDISA-N 1 1 342.395 3.090 10 5 EGBEMO CCCn1cc[nH+]c1CCCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278431547 268010940 /nfs/dbraw/zinc/01/09/40/268010940.db2.gz JLMIGQPVAJJGMP-UHFFFAOYSA-N 1 1 342.403 3.147 10 5 EGBEMO COc1c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)nn1C ZINC000179320422 277363713 /nfs/dbraw/zinc/36/37/13/277363713.db2.gz BPYDMMFVKARHLR-UHFFFAOYSA-N 1 1 332.404 3.056 10 5 EGBEMO COc1c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)nn1C ZINC000179320422 277363714 /nfs/dbraw/zinc/36/37/14/277363714.db2.gz BPYDMMFVKARHLR-UHFFFAOYSA-N 1 1 332.404 3.056 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186631607 288310654 /nfs/dbraw/zinc/31/06/54/288310654.db2.gz XRMXZJSJLNVWQN-QWHCGFSZSA-N 1 1 349.456 3.016 10 5 EGBEMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000161094616 307898367 /nfs/dbraw/zinc/89/83/67/307898367.db2.gz HKNXJQDRLICWPI-RYUDHWBXSA-N 1 1 348.428 3.428 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248647586 308008547 /nfs/dbraw/zinc/00/85/47/308008547.db2.gz TUAWEPYQRPVTJD-QFBILLFUSA-N 1 1 329.444 3.352 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000248647586 308008552 /nfs/dbraw/zinc/00/85/52/308008552.db2.gz TUAWEPYQRPVTJD-QFBILLFUSA-N 1 1 329.444 3.352 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000248647586 308008553 /nfs/dbraw/zinc/00/85/53/308008553.db2.gz TUAWEPYQRPVTJD-QFBILLFUSA-N 1 1 329.444 3.352 10 5 EGBEMO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000294878183 308266980 /nfs/dbraw/zinc/26/69/80/308266980.db2.gz PVOPDTSLOJGQGC-GFCCVEGCSA-N 1 1 339.823 3.161 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413057306 309013744 /nfs/dbraw/zinc/01/37/44/309013744.db2.gz FMCQCSQBLCBCCS-SNVBAGLBSA-N 1 1 332.326 3.295 10 5 EGBEMO CN(C)C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417356705 309202830 /nfs/dbraw/zinc/20/28/30/309202830.db2.gz PWGJDODJLPIVRX-SFHVURJKSA-N 1 1 325.412 3.368 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449741604 310083490 /nfs/dbraw/zinc/08/34/90/310083490.db2.gz LEZYLQTYYQKYCC-BHYGNILZSA-N 1 1 326.400 3.053 10 5 EGBEMO CC(C)[N@H+]1CCC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488111161 311051746 /nfs/dbraw/zinc/05/17/46/311051746.db2.gz NVTOWRFJWZOZLL-CQSZACIVSA-N 1 1 328.416 3.097 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000492786985 311291102 /nfs/dbraw/zinc/29/11/02/311291102.db2.gz CMPVWIYOSYDSSV-GOSISDBHSA-N 1 1 334.416 3.386 10 5 EGBEMO COc1ccc(OC)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549169686 315079652 /nfs/dbraw/zinc/07/96/52/315079652.db2.gz AASAXJAPUCDZLG-UHFFFAOYSA-N 1 1 330.384 3.287 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000554754943 315347506 /nfs/dbraw/zinc/34/75/06/315347506.db2.gz GGYYAUUWOKPQKH-ZDUSSCGKSA-N 1 1 348.353 3.345 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000554754943 315347510 /nfs/dbraw/zinc/34/75/10/315347510.db2.gz GGYYAUUWOKPQKH-ZDUSSCGKSA-N 1 1 348.353 3.345 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)c([N+](=O)[O-])cc1F ZINC000570579660 317076504 /nfs/dbraw/zinc/07/65/04/317076504.db2.gz AAYUKVGLGUXVGI-CYBMUJFWSA-N 1 1 345.374 3.435 10 5 EGBEMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1cscn1 ZINC000571418277 317197458 /nfs/dbraw/zinc/19/74/58/317197458.db2.gz JXHJXKCBCMOKIP-GHMZBOCLSA-N 1 1 334.401 3.119 10 5 EGBEMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000578708220 325005769 /nfs/dbraw/zinc/00/57/69/325005769.db2.gz OPHFJALCWYUIAQ-KYJSFNMBSA-N 1 1 345.443 3.172 10 5 EGBEMO COc1ccccc1N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020963949 453670456 /nfs/dbraw/zinc/67/04/56/453670456.db2.gz IYOPCCNEOIESKM-OAHLLOKOSA-N 1 1 341.411 3.487 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000119950602 454240388 /nfs/dbraw/zinc/24/03/88/454240388.db2.gz XHXJTLZMKIONIP-GDBMZVCRSA-N 1 1 348.447 3.406 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120312773 454285269 /nfs/dbraw/zinc/28/52/69/454285269.db2.gz SLSDAIXDWBRRAQ-ZDUSSCGKSA-N 1 1 344.415 3.070 10 5 EGBEMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551284 454319647 /nfs/dbraw/zinc/31/96/47/454319647.db2.gz RHEBNGXLOYIRBV-BBRMVZONSA-N 1 1 345.399 3.131 10 5 EGBEMO CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1cccc([N+](=O)[O-])c1 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OYCPDASXRUQIJC-UHFFFAOYSA-N 1 1 345.374 3.178 10 5 EGBEMO O=[N+]([O-])c1ccc(F)cc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000302868031 456422099 /nfs/dbraw/zinc/42/20/99/456422099.db2.gz WTXHLDXLNZWLSL-UHFFFAOYSA-N 1 1 329.375 3.446 10 5 EGBEMO COC(=O)C[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000353140293 456516150 /nfs/dbraw/zinc/51/61/50/456516150.db2.gz AWSYIFFTEYXMDR-GOSISDBHSA-N 1 1 346.358 3.302 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)co2)cc1 ZINC000340691991 456628401 /nfs/dbraw/zinc/62/84/01/456628401.db2.gz PHIDOZFMDBQPKR-PBHICJAKSA-N 1 1 343.383 3.251 10 5 EGBEMO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301241368 456830171 /nfs/dbraw/zinc/83/01/71/456830171.db2.gz OKGFSWIMOOXYPO-CQSZACIVSA-N 1 1 341.415 3.114 10 5 EGBEMO Cc1nc(C(C)C)ccc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000339076328 456929013 /nfs/dbraw/zinc/92/90/13/456929013.db2.gz DBHITNCVMQLWCL-UHFFFAOYSA-N 1 1 326.400 3.375 10 5 EGBEMO Cc1nc(C(C)C)ccc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000339076328 456929015 /nfs/dbraw/zinc/92/90/15/456929015.db2.gz DBHITNCVMQLWCL-UHFFFAOYSA-N 1 1 326.400 3.375 10 5 EGBEMO CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349836642 457071679 /nfs/dbraw/zinc/07/16/79/457071679.db2.gz ACGBGODMLACFAN-LJQANCHMSA-N 1 1 325.412 3.301 10 5 EGBEMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000425558894 457600154 /nfs/dbraw/zinc/60/01/54/457600154.db2.gz YGWHRSZRHLVMJS-SFHVURJKSA-N 1 1 346.427 3.385 10 5 EGBEMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)nc2c1 ZINC000364843354 457703355 /nfs/dbraw/zinc/70/33/55/457703355.db2.gz KNPVCGSEGGXMGA-AWEZNQCLSA-N 1 1 338.367 3.196 10 5 EGBEMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)nc2c1 ZINC000364843355 457703622 /nfs/dbraw/zinc/70/36/22/457703622.db2.gz KNPVCGSEGGXMGA-CQSZACIVSA-N 1 1 338.367 3.196 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000370723812 457706683 /nfs/dbraw/zinc/70/66/83/457706683.db2.gz WSSWYWKMJRTYBR-INIZCTEOSA-N 1 1 327.384 3.063 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375399548 457914411 /nfs/dbraw/zinc/91/44/11/457914411.db2.gz CCRFVZRHCWOWGB-SJDLMVEWSA-N 1 1 340.383 3.358 10 5 EGBEMO C[N@H+](CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447535655 458306796 /nfs/dbraw/zinc/30/67/96/458306796.db2.gz HOZWBVJZBAZDCD-DLBZAZTESA-N 1 1 349.479 3.129 10 5 EGBEMO C[N@@H+](CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000447535655 458306799 /nfs/dbraw/zinc/30/67/99/458306799.db2.gz HOZWBVJZBAZDCD-DLBZAZTESA-N 1 1 349.479 3.129 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)o2)c1 ZINC000377791013 458528303 /nfs/dbraw/zinc/52/83/03/458528303.db2.gz YFQJMJZMKVKRSM-CYBMUJFWSA-N 1 1 338.367 3.225 10 5 EGBEMO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000547767794 458788783 /nfs/dbraw/zinc/78/87/83/458788783.db2.gz JYWFNIQQYUVSII-LLVKDONJSA-N 1 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CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595444354 459304487 /nfs/dbraw/zinc/30/44/87/459304487.db2.gz XRSTVBBNWAXFKS-CYBMUJFWSA-N 1 1 338.379 3.288 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503934 459326771 /nfs/dbraw/zinc/32/67/71/459326771.db2.gz ZEJSYTZPFHAVOM-CQSZACIVSA-N 1 1 327.384 3.378 10 5 EGBEMO CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595692810 459398442 /nfs/dbraw/zinc/39/84/42/459398442.db2.gz QPLJECFSILEUBE-GOEBONIOSA-N 1 1 348.447 3.218 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CCF)C1 ZINC000595755735 459427304 /nfs/dbraw/zinc/42/73/04/459427304.db2.gz PDDABGTZFQRYIN-CQSZACIVSA-N 1 1 337.395 3.303 10 5 EGBEMO CCC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000561266515 459437594 /nfs/dbraw/zinc/43/75/94/459437594.db2.gz YUHHVDFEENQUGK-SFHVURJKSA-N 1 1 340.427 3.481 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000595871603 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C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001134765554 1376708847 /nfs/dbraw/zinc/70/88/47/1376708847.db2.gz STWVWYYEUHLLKS-CYBMUJFWSA-N 1 1 333.413 3.024 10 5 EGBEMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001136400965 1377389139 /nfs/dbraw/zinc/38/91/39/1377389139.db2.gz FYVWHXCYUVANEV-SJLPKXTDSA-N 1 1 345.443 3.349 10 5 EGBEMO CC(C)c1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC001161575305 1382444153 /nfs/dbraw/zinc/44/41/53/1382444153.db2.gz ZMRLBHFWOMYTLU-UHFFFAOYSA-N 1 1 333.432 3.322 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC001163754955 1383118135 /nfs/dbraw/zinc/11/81/35/1383118135.db2.gz XVSROPSPGVSKST-LBPRGKRZSA-N 1 1 329.404 3.290 10 5 EGBEMO CC(C)(C)C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001307848335 1384040959 /nfs/dbraw/zinc/04/09/59/1384040959.db2.gz XRPBNDKGYQHVNJ-YOEHRIQHSA-N 1 1 345.443 3.458 10 5 EGBEMO 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ZINC001176788127 1385699815 /nfs/dbraw/zinc/69/98/15/1385699815.db2.gz PSHSBBDVAPCTDA-UHFFFAOYSA-N 1 1 338.404 3.027 10 5 EGBEMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001322466180 1387191230 /nfs/dbraw/zinc/19/12/30/1387191230.db2.gz ONWVASLJCJQZMO-GUYCJALGSA-N 1 1 346.456 3.277 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001689926433 1404212183 /nfs/dbraw/zinc/21/21/83/1404212183.db2.gz IIVZMGDOVAHPCB-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO O=C(C=C1CCC1)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001707478656 1417376196 /nfs/dbraw/zinc/37/61/96/1417376196.db2.gz PHSVJQUVQBGVKE-UHFFFAOYSA-N 1 1 343.427 3.176 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1=CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001712944206 1417504267 /nfs/dbraw/zinc/50/42/67/1417504267.db2.gz PVQCLVJTTTVVGK-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1=CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713010370 1417564606 /nfs/dbraw/zinc/56/46/06/1417564606.db2.gz BUWUOMYAKTYBJH-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CCC1CCCC1 ZINC001715509129 1420192867 /nfs/dbraw/zinc/19/28/67/1420192867.db2.gz LKZCGMTXMFWLGL-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CCC1CCCC1 ZINC001715509129 1420192869 /nfs/dbraw/zinc/19/28/69/1420192869.db2.gz LKZCGMTXMFWLGL-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO O=C(CC1=CCCCC1)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001716677904 1420833274 /nfs/dbraw/zinc/83/32/74/1420833274.db2.gz NHBOPIMNFFEVGC-UHFFFAOYSA-N 1 1 349.456 3.285 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001724838667 1425187388 /nfs/dbraw/zinc/18/73/88/1425187388.db2.gz GPVNXJKGJVXENO-UHFFFAOYSA-N 1 1 341.411 3.189 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000175044217 529406924 /nfs/dbraw/zinc/40/69/24/529406924.db2.gz AJAGKROLLGKJDY-ZIAGYGMSSA-N 1 1 349.456 3.016 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000265996432 248009093 /nfs/dbraw/zinc/00/90/93/248009093.db2.gz NXBULZJRJZEWCL-IUODEOHRSA-N 1 1 345.399 3.143 10 5 EGBEMO Cc1nsc(N2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000266581817 248370466 /nfs/dbraw/zinc/37/04/66/248370466.db2.gz IFKRAVLHWXHADM-GFCCVEGCSA-N 1 1 347.444 3.028 10 5 EGBEMO Cc1nsc(N2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000266581817 248370469 /nfs/dbraw/zinc/37/04/69/248370469.db2.gz IFKRAVLHWXHADM-GFCCVEGCSA-N 1 1 347.444 3.028 10 5 EGBEMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000338054957 141083614 /nfs/dbraw/zinc/08/36/14/141083614.db2.gz WOUDDDZELIIJLU-UHFFFAOYSA-N 1 1 341.411 3.285 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOCC3(CC3)C2)o1 ZINC000341527372 155336712 /nfs/dbraw/zinc/33/67/12/155336712.db2.gz IVFZESJYAKJHEC-UHFFFAOYSA-N 1 1 328.368 3.467 10 5 EGBEMO Cc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000348931482 156292066 /nfs/dbraw/zinc/29/20/66/156292066.db2.gz JPOFHUGJVNYJND-UHFFFAOYSA-N 1 1 339.395 3.290 10 5 EGBEMO COCC[C@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000368659908 157255809 /nfs/dbraw/zinc/25/58/09/157255809.db2.gz PSAPCZVATOAKOU-CYBMUJFWSA-N 1 1 333.388 3.375 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000352022765 165194425 /nfs/dbraw/zinc/19/44/25/165194425.db2.gz QWLNDESXXMODQR-IBGZPJMESA-N 1 1 340.379 3.235 10 5 EGBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C2CC2)CC1 ZINC000352192391 165276874 /nfs/dbraw/zinc/27/68/74/165276874.db2.gz USXADWDMYAAZMJ-ZDUSSCGKSA-N 1 1 331.416 3.434 10 5 EGBEMO C[N@H+]1CCCC[C@@H]1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000355457788 166206251 /nfs/dbraw/zinc/20/62/51/166206251.db2.gz IHABWFRELLAQON-MRXNPFEDSA-N 1 1 345.443 3.350 10 5 EGBEMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000359311444 167122843 /nfs/dbraw/zinc/12/28/43/167122843.db2.gz UKMBPBLTHGYNKC-UGSOOPFHSA-N 1 1 332.400 3.473 10 5 EGBEMO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366808890 168142841 /nfs/dbraw/zinc/14/28/41/168142841.db2.gz KDXAWHWBIFSWDX-VSFLAONQSA-N 1 1 346.427 3.266 10 5 EGBEMO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366808890 168142842 /nfs/dbraw/zinc/14/28/42/168142842.db2.gz KDXAWHWBIFSWDX-VSFLAONQSA-N 1 1 346.427 3.266 10 5 EGBEMO C[N@H+]1CC[C@@H](NCc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367389686 168219262 /nfs/dbraw/zinc/21/92/62/168219262.db2.gz WOMYRJNSAFZLKP-AEFFLSMTSA-N 1 1 329.375 3.269 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367453129 168227447 /nfs/dbraw/zinc/22/74/47/168227447.db2.gz YHSVOCQVQXLMRF-GOSISDBHSA-N 1 1 334.416 3.385 10 5 EGBEMO CN1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180013556 265394089 /nfs/dbraw/zinc/39/40/89/265394089.db2.gz XUPUKFLXENTMNY-IBGZPJMESA-N 1 1 325.412 3.368 10 5 EGBEMO O=C(CC[N@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000116296065 275189334 /nfs/dbraw/zinc/18/93/34/275189334.db2.gz CIQLNMKPPVZQOI-HNNXBMFYSA-N 1 1 329.356 3.354 10 5 EGBEMO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000341257651 277002827 /nfs/dbraw/zinc/00/28/27/277002827.db2.gz KDKKKQHOTVCUQU-INIZCTEOSA-N 1 1 338.411 3.330 10 5 EGBEMO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000352929920 278021695 /nfs/dbraw/zinc/02/16/95/278021695.db2.gz JELRWIPXSVFREX-OAHLLOKOSA-N 1 1 331.416 3.027 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)(c3ccccc3)CC2)cs1 ZINC000293341600 308122079 /nfs/dbraw/zinc/12/20/79/308122079.db2.gz NDXIZUUEKVJJCC-UHFFFAOYSA-N 1 1 332.425 3.182 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000294898841 308269370 /nfs/dbraw/zinc/26/93/70/308269370.db2.gz XBAZPWDICKQXCP-CQSZACIVSA-N 1 1 333.432 3.017 10 5 EGBEMO C[C@H]1C[NH+](Cc2cccc(Nc3ncccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000301382377 308698556 /nfs/dbraw/zinc/69/85/56/308698556.db2.gz SUMGYAKWNSDTOI-KBPBESRZSA-N 1 1 342.399 3.343 10 5 EGBEMO CC1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413224195 309022378 /nfs/dbraw/zinc/02/23/78/309022378.db2.gz DKUUXPHDGMNHOK-UHFFFAOYSA-N 1 1 330.310 3.073 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000438947009 309822965 /nfs/dbraw/zinc/82/29/65/309822965.db2.gz ZMCOWONPMQJMLH-UHFFFAOYSA-N 1 1 334.763 3.270 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449349799 310055959 /nfs/dbraw/zinc/05/59/59/310055959.db2.gz HZWVDUKFHRIJGV-AWEZNQCLSA-N 1 1 338.358 3.443 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257049 310168303 /nfs/dbraw/zinc/16/83/03/310168303.db2.gz FWTMDLBQVAOYKV-MDASCCDHSA-N 1 1 344.386 3.456 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257049 310168304 /nfs/dbraw/zinc/16/83/04/310168304.db2.gz FWTMDLBQVAOYKV-MDASCCDHSA-N 1 1 344.386 3.456 10 5 EGBEMO C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512198125 312178437 /nfs/dbraw/zinc/17/84/37/312178437.db2.gz RIKXVYOWFQEJIQ-LLVKDONJSA-N 1 1 325.796 3.451 10 5 EGBEMO C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000512198125 312178439 /nfs/dbraw/zinc/17/84/39/312178439.db2.gz RIKXVYOWFQEJIQ-LLVKDONJSA-N 1 1 325.796 3.451 10 5 EGBEMO CCOC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000536696249 314138945 /nfs/dbraw/zinc/13/89/45/314138945.db2.gz YHHHDJWCCJKHET-CLFYSBASSA-N 1 1 332.400 3.416 10 5 EGBEMO CCOC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000536696249 314138948 /nfs/dbraw/zinc/13/89/48/314138948.db2.gz YHHHDJWCCJKHET-CLFYSBASSA-N 1 1 332.400 3.416 10 5 EGBEMO CCCC[N@@H+](C)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446049360 458133659 /nfs/dbraw/zinc/13/36/59/458133659.db2.gz BAEQYDJPMIEBSR-UHFFFAOYSA-N 1 1 327.812 3.018 10 5 EGBEMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245650013 455348454 /nfs/dbraw/zinc/34/84/54/455348454.db2.gz MSGHLICXYINZNH-IAGOWNOFSA-N 1 1 340.383 3.162 10 5 EGBEMO O=[N+]([O-])c1ccccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018061495 453641997 /nfs/dbraw/zinc/64/19/97/453641997.db2.gz UULQUWPCRLXDTI-UHFFFAOYSA-N 1 1 327.384 3.039 10 5 EGBEMO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)oc1C ZINC000024862464 453749738 /nfs/dbraw/zinc/74/97/38/453749738.db2.gz NVLQCVLNNODCAW-NSHDSACASA-N 1 1 332.356 3.476 10 5 EGBEMO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)oc1C ZINC000024862464 453749741 /nfs/dbraw/zinc/74/97/41/453749741.db2.gz NVLQCVLNNODCAW-NSHDSACASA-N 1 1 332.356 3.476 10 5 EGBEMO C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025501110 453774615 /nfs/dbraw/zinc/77/46/15/453774615.db2.gz DTORSLMVAAOCQQ-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO CCCCCNC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054175066 453915435 /nfs/dbraw/zinc/91/54/35/453915435.db2.gz SAYZKJFJDOUBNT-UHFFFAOYSA-N 1 1 339.461 3.175 10 5 EGBEMO Cc1ccc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000090519440 454314756 /nfs/dbraw/zinc/31/47/56/454314756.db2.gz ONTOYWMMBPDBJS-GOSISDBHSA-N 1 1 341.411 3.210 10 5 EGBEMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000090521850 454315985 /nfs/dbraw/zinc/31/59/85/454315985.db2.gz SAOWLTAXHIRYPP-UHFFFAOYSA-N 1 1 347.390 3.198 10 5 EGBEMO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC000090530817 454317496 /nfs/dbraw/zinc/31/74/96/454317496.db2.gz NAXOAVBKFXZNOB-YPMHNXCESA-N 1 1 332.404 3.307 10 5 EGBEMO CC(C)COC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048273882 454466436 /nfs/dbraw/zinc/46/64/36/454466436.db2.gz DHVRDBCQYPRSQD-UHFFFAOYSA-N 1 1 332.404 3.039 10 5 EGBEMO Cc1ccc(OCC[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065209079 454537634 /nfs/dbraw/zinc/53/76/34/454537634.db2.gz UZQJTYQGQRLAQN-UHFFFAOYSA-N 1 1 330.384 3.293 10 5 EGBEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000123235756 454619206 /nfs/dbraw/zinc/61/92/06/454619206.db2.gz CXNXHBIOGISSIL-CQSZACIVSA-N 1 1 344.367 3.240 10 5 EGBEMO Cc1cccc(NC2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)[nH+]1 ZINC000074763750 454631386 /nfs/dbraw/zinc/63/13/86/454631386.db2.gz FTTPHZMYVUBCSX-UHFFFAOYSA-N 1 1 327.388 3.083 10 5 EGBEMO Cc1cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ncc1[N+](=O)[O-] ZINC000074768148 454632347 /nfs/dbraw/zinc/63/23/47/454632347.db2.gz WQTOQYORAGHAHG-HNNXBMFYSA-N 1 1 337.383 3.428 10 5 EGBEMO Cc1cnn([C@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106219854 454685695 /nfs/dbraw/zinc/68/56/95/454685695.db2.gz NJTOGCCMWVAMAL-KRWDZBQOSA-N 1 1 344.415 3.206 10 5 EGBEMO Cc1ccccc1NC(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153300340 454780068 /nfs/dbraw/zinc/78/00/68/454780068.db2.gz PAGRKAZAZRJAEC-UHFFFAOYSA-N 1 1 339.395 3.290 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3CC(O)C4)o2)c1 ZINC000126708132 454913166 /nfs/dbraw/zinc/91/31/66/454913166.db2.gz UMEVVPGKMRRROE-MZBDJJRSSA-N 1 1 328.368 3.343 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)ccc1Cl ZINC000154667070 454917337 /nfs/dbraw/zinc/91/73/37/454917337.db2.gz GHNVVPYHIHXTQC-CQSZACIVSA-N 1 1 333.775 3.297 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)ccc1Cl ZINC000154667070 454917342 /nfs/dbraw/zinc/91/73/42/454917342.db2.gz GHNVVPYHIHXTQC-CQSZACIVSA-N 1 1 333.775 3.297 10 5 EGBEMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000156968784 455159321 /nfs/dbraw/zinc/15/93/21/455159321.db2.gz QJCTUFLXWYOMND-INIZCTEOSA-N 1 1 349.431 3.443 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270839056 456050734 /nfs/dbraw/zinc/05/07/34/456050734.db2.gz DTWZAGSAHJVMKR-CYBMUJFWSA-N 1 1 330.363 3.012 10 5 EGBEMO Cc1cccc(NC2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)[nH+]1 ZINC000301261534 456074051 /nfs/dbraw/zinc/07/40/51/456074051.db2.gz 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1 1 338.404 3.157 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001197798090 1368899919 /nfs/dbraw/zinc/89/99/19/1368899919.db2.gz LKJSUCVJIWPFOI-CQSZACIVSA-N 1 1 333.432 3.052 10 5 EGBEMO Cc1cc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC001187380866 1388101251 /nfs/dbraw/zinc/10/12/51/1388101251.db2.gz WSWIIXAWEYGITK-UHFFFAOYSA-N 1 1 345.374 3.070 10 5 EGBEMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001134055565 1376335646 /nfs/dbraw/zinc/33/56/46/1376335646.db2.gz BLWVMVZAMOKLGJ-CYBMUJFWSA-N 1 1 339.823 3.051 10 5 EGBEMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001134055565 1376335651 /nfs/dbraw/zinc/33/56/51/1376335651.db2.gz BLWVMVZAMOKLGJ-CYBMUJFWSA-N 1 1 339.823 3.051 10 5 EGBEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001136732734 1377418729 /nfs/dbraw/zinc/41/87/29/1377418729.db2.gz DXOKLIVYIJIJAT-BPQIPLTHSA-N 1 1 345.443 3.079 10 5 EGBEMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001141698394 1378363364 /nfs/dbraw/zinc/36/33/64/1378363364.db2.gz CIORNWKUKUUMEE-HNNXBMFYSA-N 1 1 347.459 3.253 10 5 EGBEMO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2c1 ZINC001162652183 1382821962 /nfs/dbraw/zinc/82/19/62/1382821962.db2.gz HSBPSVOUZROAMS-CQSZACIVSA-N 1 1 341.415 3.214 10 5 EGBEMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307547604 1384001325 /nfs/dbraw/zinc/00/13/25/1384001325.db2.gz DYTFCQPKGDLGHO-WMLDXEAASA-N 1 1 345.443 3.385 10 5 EGBEMO Cc1ccc(C[C@]2(C)CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001307971672 1384066553 /nfs/dbraw/zinc/06/65/53/1384066553.db2.gz CVPDYLXFHHOBIX-SFHVURJKSA-N 1 1 328.416 3.197 10 5 EGBEMO CCc1ccsc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317471804 1385166475 /nfs/dbraw/zinc/16/64/75/1385166475.db2.gz NVZBNPKGKPHZRV-UHFFFAOYSA-N 1 1 347.440 3.081 10 5 EGBEMO CCc1ccsc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317471804 1385166476 /nfs/dbraw/zinc/16/64/76/1385166476.db2.gz NVZBNPKGKPHZRV-UHFFFAOYSA-N 1 1 347.440 3.081 10 5 EGBEMO C[C@H](C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC001175982166 1385452222 /nfs/dbraw/zinc/45/22/22/1385452222.db2.gz BHKGCLQEQIKSOG-CYBMUJFWSA-N 1 1 333.432 3.098 10 5 EGBEMO CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001177588027 1386001987 /nfs/dbraw/zinc/00/19/87/1386001987.db2.gz OOBGGOBKHJWFSJ-RDTXWAMCSA-N 1 1 341.411 3.465 10 5 EGBEMO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001332233424 1390058043 /nfs/dbraw/zinc/05/80/43/1390058043.db2.gz XGCPNQAQTLKOPK-CHWSQXEVSA-N 1 1 337.395 3.033 10 5 EGBEMO CC(C)N(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccco1 ZINC001332675748 1390147208 /nfs/dbraw/zinc/14/72/08/1390147208.db2.gz CZPRHILUMFSBOI-UHFFFAOYSA-N 1 1 345.399 3.170 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccco1 ZINC001332675748 1390147213 /nfs/dbraw/zinc/14/72/13/1390147213.db2.gz CZPRHILUMFSBOI-UHFFFAOYSA-N 1 1 345.399 3.170 10 5 EGBEMO O=C(CC1=CCCCC1)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001481614593 1394421594 /nfs/dbraw/zinc/42/15/94/1394421594.db2.gz GLBSNAMOZWVWRD-UHFFFAOYSA-N 1 1 343.427 3.033 10 5 EGBEMO CC(C)=CC(=O)NCCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001713685882 1418439184 /nfs/dbraw/zinc/43/91/84/1418439184.db2.gz XXQSSOOONFBBRH-UHFFFAOYSA-N 1 1 339.461 3.339 10 5 EGBEMO CC(C)[N@@H+](CCCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001714815657 1419526578 /nfs/dbraw/zinc/52/65/78/1419526578.db2.gz ZIJXDDIBKLQFDH-UHFFFAOYSA-N 1 1 339.411 3.060 10 5 EGBEMO Cc1cscc1C(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001715514001 1420198495 /nfs/dbraw/zinc/19/84/95/1420198495.db2.gz HLCPMVYUIDKAHQ-UHFFFAOYSA-N 1 1 347.440 3.169 10 5 EGBEMO Cc1cscc1C(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001715514001 1420198498 /nfs/dbraw/zinc/19/84/98/1420198498.db2.gz HLCPMVYUIDKAHQ-UHFFFAOYSA-N 1 1 347.440 3.169 10 5 EGBEMO C/C=C(\C)C(=O)NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001731330980 1427270154 /nfs/dbraw/zinc/27/01/54/1427270154.db2.gz ODKLHTNVKWFUNH-LZWSPWQCSA-N 1 1 331.416 3.032 10 5 EGBEMO CC1=C(c2ccco2)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368481103 168362099 /nfs/dbraw/zinc/36/20/99/168362099.db2.gz DSKLJCNBJAJDLG-KRWDZBQOSA-N 1 1 328.368 3.401 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812490 218170318 /nfs/dbraw/zinc/17/03/18/218170318.db2.gz OQDDKICIXYDBLH-YERXGYGTSA-N 1 1 338.411 3.437 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252666910 285083219 /nfs/dbraw/zinc/08/32/19/285083219.db2.gz CQMOEYIUDGXCIC-LBPRGKRZSA-N 1 1 340.221 3.032 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000153540707 285091305 /nfs/dbraw/zinc/09/13/05/285091305.db2.gz MBEJMXVYVVSPQO-UHFFFAOYSA-N 1 1 346.818 3.356 10 5 EGBEMO CC[C@H](NC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346268282 141188689 /nfs/dbraw/zinc/18/86/89/141188689.db2.gz FBRAEPMJUCTCPU-VBQJREDUSA-N 1 1 348.447 3.170 10 5 EGBEMO Cc1c(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)cccc1[N+](=O)[O-] ZINC000352961336 141278230 /nfs/dbraw/zinc/27/82/30/141278230.db2.gz AXIDCQXVLDJZQI-KRWDZBQOSA-N 1 1 339.399 3.433 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000193841062 153310453 /nfs/dbraw/zinc/31/04/53/153310453.db2.gz MOFXPYYKBKTZTO-LBPRGKRZSA-N 1 1 348.384 3.339 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC000193841062 153310457 /nfs/dbraw/zinc/31/04/57/153310457.db2.gz MOFXPYYKBKTZTO-LBPRGKRZSA-N 1 1 348.384 3.339 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000125727056 162286185 /nfs/dbraw/zinc/28/61/85/162286185.db2.gz PUDKIDKWGBRLKG-GXTWGEPZSA-N 1 1 334.420 3.062 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249138944 163058087 /nfs/dbraw/zinc/05/80/87/163058087.db2.gz VWKSDIVSLWUPLV-KBPBESRZSA-N 1 1 334.420 3.158 10 5 EGBEMO C[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000352094368 165232130 /nfs/dbraw/zinc/23/21/30/165232130.db2.gz ZNEWZOCXXRFYSH-ZWKOTPCHSA-N 1 1 329.375 3.269 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCSC[C@H]3CCO)o2)cc1 ZINC000355083966 166102700 /nfs/dbraw/zinc/10/27/00/166102700.db2.gz VEKYKGKSFIOOJX-OAHLLOKOSA-N 1 1 348.424 3.155 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000353433670 165770082 /nfs/dbraw/zinc/77/00/82/165770082.db2.gz HIAUJCXEXIJPTD-GOSISDBHSA-N 1 1 336.395 3.250 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000366812325 168143737 /nfs/dbraw/zinc/14/37/37/168143737.db2.gz UGGJYOJOEXLADJ-VKJFTORMSA-N 1 1 334.416 3.062 10 5 EGBEMO Cn1cccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635417 266331749 /nfs/dbraw/zinc/33/17/49/266331749.db2.gz HDMIFGWDPWDQCD-ZWKOTPCHSA-N 1 1 329.400 3.194 10 5 EGBEMO Cn1cccc1[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635409 266332322 /nfs/dbraw/zinc/33/23/22/266332322.db2.gz HDMIFGWDPWDQCD-QZTJIDSGSA-N 1 1 329.400 3.194 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)CN([C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000355691490 275037629 /nfs/dbraw/zinc/03/76/29/275037629.db2.gz HCESEDISUKNEDR-FQEVSTJZSA-N 1 1 337.423 3.227 10 5 EGBEMO CCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CCCCO1 ZINC000106866964 275170171 /nfs/dbraw/zinc/17/01/71/275170171.db2.gz JPSZUOHXTIZSGG-MRXNPFEDSA-N 1 1 349.431 3.123 10 5 EGBEMO CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H]1CCCCO1 ZINC000106866964 275170173 /nfs/dbraw/zinc/17/01/73/275170173.db2.gz JPSZUOHXTIZSGG-MRXNPFEDSA-N 1 1 349.431 3.123 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000252059582 281198371 /nfs/dbraw/zinc/19/83/71/281198371.db2.gz ZOZQMTOYSCQSGK-HOTGVXAUSA-N 1 1 345.443 3.417 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055023036 307339481 /nfs/dbraw/zinc/33/94/81/307339481.db2.gz JFQFCMSPZWJJKP-UHFFFAOYSA-N 1 1 345.374 3.155 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000055023036 307339483 /nfs/dbraw/zinc/33/94/83/307339483.db2.gz JFQFCMSPZWJJKP-UHFFFAOYSA-N 1 1 345.374 3.155 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248453186 308003420 /nfs/dbraw/zinc/00/34/20/308003420.db2.gz YYUKVHDOFTVJER-BLLLJJGKSA-N 1 1 325.840 3.410 10 5 EGBEMO C[N@H+]1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000293608094 308146130 /nfs/dbraw/zinc/14/61/30/308146130.db2.gz PJISWVOEZGLFFG-HNNXBMFYSA-N 1 1 343.349 3.141 10 5 EGBEMO Cn1cc(C[N@@H+]2CCC[C@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295976178 308380664 /nfs/dbraw/zinc/38/06/64/308380664.db2.gz JBMWZJMPJHPBCV-KRWDZBQOSA-N 1 1 332.379 3.319 10 5 EGBEMO Cn1cc(C[N@H+]2CCC[C@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295976178 308380665 /nfs/dbraw/zinc/38/06/65/308380665.db2.gz JBMWZJMPJHPBCV-KRWDZBQOSA-N 1 1 332.379 3.319 10 5 EGBEMO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]1(C)C[NH3+] ZINC000415059730 309117459 /nfs/dbraw/zinc/11/74/59/309117459.db2.gz YTDDLLWYDAJLME-FZKQIMNGSA-N 1 1 329.400 3.272 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420989110 309306339 /nfs/dbraw/zinc/30/63/39/309306339.db2.gz BUUVPVBBHPBYTK-MRXNPFEDSA-N 1 1 334.416 3.261 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420989110 309306340 /nfs/dbraw/zinc/30/63/40/309306340.db2.gz BUUVPVBBHPBYTK-MRXNPFEDSA-N 1 1 334.416 3.261 10 5 EGBEMO COc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422935360 309377016 /nfs/dbraw/zinc/37/70/16/309377016.db2.gz AEVPWAGDNUDVIP-ARFHVFGLSA-N 1 1 333.432 3.004 10 5 EGBEMO COC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000452110798 310212811 /nfs/dbraw/zinc/21/28/11/310212811.db2.gz ZZNRXBBZSCJKKU-AWEZNQCLSA-N 1 1 345.399 3.498 10 5 EGBEMO CC1(CO)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000459620460 310564702 /nfs/dbraw/zinc/56/47/02/310564702.db2.gz LHARDRZHJQYLRE-UHFFFAOYSA-N 1 1 336.775 3.322 10 5 EGBEMO Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000488083869 311050614 /nfs/dbraw/zinc/05/06/14/311050614.db2.gz ZIHYNDSEQOLDHI-UHFFFAOYSA-N 1 1 345.374 3.421 10 5 EGBEMO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000488083869 311050615 /nfs/dbraw/zinc/05/06/15/311050615.db2.gz ZIHYNDSEQOLDHI-UHFFFAOYSA-N 1 1 345.374 3.421 10 5 EGBEMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488126853 311052462 /nfs/dbraw/zinc/05/24/62/311052462.db2.gz OEDGVUDEIOYCGK-HNNXBMFYSA-N 1 1 340.427 3.311 10 5 EGBEMO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000565537847 316336924 /nfs/dbraw/zinc/33/69/24/316336924.db2.gz ZDAJNUYRBFIAMD-VIFPVBQESA-N 1 1 336.335 3.036 10 5 EGBEMO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000565537847 316336927 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GJNFDEQICKVBOA-CVEARBPZSA-N 1 1 346.431 3.382 10 5 EGBEMO Cc1ccnc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000166043507 454907104 /nfs/dbraw/zinc/90/71/04/454907104.db2.gz DONCTPREOZWAEG-OAHLLOKOSA-N 1 1 326.400 3.181 10 5 EGBEMO O=c1cc(CN2CC[N@H+]3CCC[C@@H]3C2)c2c(ccc3ccccc32)o1 ZINC000178623920 454965684 /nfs/dbraw/zinc/96/56/84/454965684.db2.gz FYLUBCOSQZMSPF-QGZVFWFLSA-N 1 1 334.419 3.226 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000246825715 455528307 /nfs/dbraw/zinc/52/83/07/455528307.db2.gz AJAGKROLLGKJDY-KGLIPLIRSA-N 1 1 349.456 3.016 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000271618472 455701863 /nfs/dbraw/zinc/70/18/63/455701863.db2.gz DOHBFFYVSQGOPA-KGLIPLIRSA-N 1 1 341.415 3.462 10 5 EGBEMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000284727221 455732599 /nfs/dbraw/zinc/73/25/99/455732599.db2.gz KCZDYEFYVCSSFT-CYBMUJFWSA-N 1 1 339.823 3.129 10 5 EGBEMO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859317 455789443 /nfs/dbraw/zinc/78/94/43/455789443.db2.gz YICNAPWMONUXRB-KBPBESRZSA-N 1 1 348.424 3.108 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000289862381 456159834 /nfs/dbraw/zinc/15/98/34/456159834.db2.gz RDAYDBLVFMVGBR-JSGCOSHPSA-N 1 1 334.420 3.104 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000301799144 456217800 /nfs/dbraw/zinc/21/78/00/456217800.db2.gz VAZDSIGJRXPHDO-LRDDRELGSA-N 1 1 349.406 3.196 10 5 EGBEMO Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302037373 456273063 /nfs/dbraw/zinc/27/30/63/456273063.db2.gz VEMUZXOXHFFXNE-CQSZACIVSA-N 1 1 326.400 3.126 10 5 EGBEMO CC(C)Cc1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148434 460730274 /nfs/dbraw/zinc/73/02/74/460730274.db2.gz BSKVCMOMXFOTKR-QGZVFWFLSA-N 1 1 349.456 3.247 10 5 EGBEMO Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282237595 456451187 /nfs/dbraw/zinc/45/11/87/456451187.db2.gz LQKHNSABECAKJK-CYBMUJFWSA-N 1 1 341.415 3.094 10 5 EGBEMO C[N@@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C1CCCCC1 ZINC000337650597 456457635 /nfs/dbraw/zinc/45/76/35/456457635.db2.gz KZMAFGHNQJJABS-UHFFFAOYSA-N 1 1 346.431 3.156 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)c2ccsc2)c1 ZINC000339093190 456937580 /nfs/dbraw/zinc/93/75/80/456937580.db2.gz BCGKHRYSPYBNFK-ZDUSSCGKSA-N 1 1 346.330 3.498 10 5 EGBEMO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000352546692 457456200 /nfs/dbraw/zinc/45/62/00/457456200.db2.gz ZDYWPDIKXFSCBK-CVEARBPZSA-N 1 1 333.432 3.051 10 5 EGBEMO CC(=O)c1ccc2c(c1)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000374328052 457587451 /nfs/dbraw/zinc/58/74/51/457587451.db2.gz IXPXABCBGUEGCH-UHFFFAOYSA-N 1 1 338.407 3.441 10 5 EGBEMO Cc1c(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)cccc1[N+](=O)[O-] ZINC000364775924 457690952 /nfs/dbraw/zinc/69/09/52/457690952.db2.gz YXGCMIXVGZCKDU-LBPRGKRZSA-N 1 1 342.399 3.493 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411990357 458035151 /nfs/dbraw/zinc/03/51/51/458035151.db2.gz SOGNQSWXYOPXAV-QGZVFWFLSA-N 1 1 326.400 3.061 10 5 EGBEMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470184454 458623634 /nfs/dbraw/zinc/62/36/34/458623634.db2.gz VSOJEOAPADIEFA-WTQUMQLASA-N 1 1 345.443 3.331 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441024101 458876540 /nfs/dbraw/zinc/87/65/40/458876540.db2.gz GKGFHKVWMFVOPQ-DJJJIMSYSA-N 1 1 342.395 3.427 10 5 EGBEMO Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000557251198 459059441 /nfs/dbraw/zinc/05/94/41/459059441.db2.gz QGHGJZYNJXNUIE-SFHVURJKSA-N 1 1 344.411 3.083 10 5 EGBEMO C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591775 459101148 /nfs/dbraw/zinc/10/11/48/459101148.db2.gz KCIQKXNGFJYNNP-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO 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CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182218625 455463459 /nfs/dbraw/zinc/46/34/59/455463459.db2.gz CXHJTFANECPVEC-GFCCVEGCSA-N 1 1 340.807 3.412 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182218625 455463461 /nfs/dbraw/zinc/46/34/61/455463461.db2.gz CXHJTFANECPVEC-GFCCVEGCSA-N 1 1 340.807 3.412 10 5 EGBEMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000161094898 455532458 /nfs/dbraw/zinc/53/24/58/455532458.db2.gz HKNXJQDRLICWPI-NEPJUHHUSA-N 1 1 348.428 3.428 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280985919 456100542 /nfs/dbraw/zinc/10/05/42/456100542.db2.gz LLJAZCOPFUPPRX-RDTXWAMCSA-N 1 1 327.384 3.342 10 5 EGBEMO COc1cc(NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000301616554 456163924 /nfs/dbraw/zinc/16/39/24/456163924.db2.gz JUMZPUIWMKYMPN-LBPRGKRZSA-N 1 1 325.384 3.419 10 5 EGBEMO COc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000302816870 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AAUPSZLDARGUPF-UHFFFAOYSA-N 1 1 346.358 3.180 10 5 EGBEMO COc1cc2c(cc1F)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000348788878 456858156 /nfs/dbraw/zinc/85/81/56/456858156.db2.gz AAUPSZLDARGUPF-UHFFFAOYSA-N 1 1 346.358 3.180 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361075063 457566771 /nfs/dbraw/zinc/56/67/71/457566771.db2.gz RPXCGBINSBZKJP-HNNXBMFYSA-N 1 1 332.448 3.471 10 5 EGBEMO CC(C)(C)N1CC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000425474311 457568899 /nfs/dbraw/zinc/56/88/99/457568899.db2.gz INQXUBFFIARCSO-DOTOQJQBSA-N 1 1 345.443 3.174 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000361084785 457572139 /nfs/dbraw/zinc/57/21/39/457572139.db2.gz REJPJLLPKZCLFZ-LJQANCHMSA-N 1 1 341.411 3.082 10 5 EGBEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000374423323 457624098 /nfs/dbraw/zinc/62/40/98/457624098.db2.gz MTUJRBUZIZLFLV-CYBMUJFWSA-N 1 1 332.429 3.152 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374540272 457652742 /nfs/dbraw/zinc/65/27/42/457652742.db2.gz WSFDTBYVMNPLCR-ZWKOTPCHSA-N 1 1 330.359 3.199 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374540272 457652749 /nfs/dbraw/zinc/65/27/49/457652749.db2.gz WSFDTBYVMNPLCR-ZWKOTPCHSA-N 1 1 330.359 3.199 10 5 EGBEMO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358163380 457828529 /nfs/dbraw/zinc/82/85/29/457828529.db2.gz MMLGZUZJUHLYAU-BBRMVZONSA-N 1 1 336.436 3.074 10 5 EGBEMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccc([N+](=O)[O-])s1 ZINC000375235463 457842785 /nfs/dbraw/zinc/84/27/85/457842785.db2.gz YUVYZGIURQJNSZ-UHFFFAOYSA-N 1 1 329.381 3.387 10 5 EGBEMO COc1ccc(OCC[N@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000444701841 457946546 /nfs/dbraw/zinc/94/65/46/457946546.db2.gz WWWCVODCRHIDAF-LLVKDONJSA-N 1 1 348.321 3.257 10 5 EGBEMO CC[N@H+]1CCC[C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 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345.399 3.197 10 5 EGBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000560648929 459384098 /nfs/dbraw/zinc/38/40/98/459384098.db2.gz SCXDPPAUIYUMPX-UHFFFAOYSA-N 1 1 349.406 3.142 10 5 EGBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781435 459437352 /nfs/dbraw/zinc/43/73/52/459437352.db2.gz SXUOCWNYSQFOJF-FRRDWIJNSA-N 1 1 346.387 3.205 10 5 EGBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781435 459437357 /nfs/dbraw/zinc/43/73/57/459437357.db2.gz SXUOCWNYSQFOJF-FRRDWIJNSA-N 1 1 346.387 3.205 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC1CC1)CC1CC1 ZINC000595870986 459469118 /nfs/dbraw/zinc/46/91/18/459469118.db2.gz IRPSNSGFFVSZCS-UHFFFAOYSA-N 1 1 347.415 3.054 10 5 EGBEMO Cc1ccc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592376470 459584761 /nfs/dbraw/zinc/58/47/61/459584761.db2.gz RHZRTSRUATZQIF-MOPGFXCFSA-N 1 1 339.439 3.338 10 5 EGBEMO C[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596296806 459587642 /nfs/dbraw/zinc/58/76/42/459587642.db2.gz CHCRGBRDNMFIMN-UTUOFQBUSA-N 1 1 343.374 3.442 10 5 EGBEMO C[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596296806 459587649 /nfs/dbraw/zinc/58/76/49/459587649.db2.gz CHCRGBRDNMFIMN-UTUOFQBUSA-N 1 1 343.374 3.442 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596786866 459762530 /nfs/dbraw/zinc/76/25/30/459762530.db2.gz AVHAUJRBCLHBEY-ZDUSSCGKSA-N 1 1 334.420 3.206 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)o2)c(Cl)c1 ZINC000597212013 459879468 /nfs/dbraw/zinc/87/94/68/459879468.db2.gz QJVLIBACXYNBNP-APPDUMDISA-N 1 1 348.786 3.465 10 5 EGBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)nc1-c1ccc(F)cc1 ZINC000576327967 460117383 /nfs/dbraw/zinc/11/73/83/460117383.db2.gz GXTKEYJVURYAEA-HNNXBMFYSA-N 1 1 342.374 3.080 10 5 EGBEMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000598988832 460118584 /nfs/dbraw/zinc/11/85/84/460118584.db2.gz BYXQTVCHESAZTL-LBPRGKRZSA-N 1 1 348.712 3.338 10 5 EGBEMO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1F ZINC000599553725 460273616 /nfs/dbraw/zinc/27/36/16/460273616.db2.gz ZINFYECFQFMTKO-NEPJUHHUSA-N 1 1 326.393 3.212 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1F ZINC000599553725 460273619 /nfs/dbraw/zinc/27/36/19/460273619.db2.gz ZINFYECFQFMTKO-NEPJUHHUSA-N 1 1 326.393 3.212 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599553286 460273982 /nfs/dbraw/zinc/27/39/82/460273982.db2.gz YJIUUFBPOXTVKJ-UHFFFAOYSA-N 1 1 328.315 3.003 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000599553286 460273986 /nfs/dbraw/zinc/27/39/86/460273986.db2.gz YJIUUFBPOXTVKJ-UHFFFAOYSA-N 1 1 328.315 3.003 10 5 EGBEMO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671624 460304115 /nfs/dbraw/zinc/30/41/15/460304115.db2.gz ZSAMNZAEPKYWHQ-ACJLOTCBSA-N 1 1 340.379 3.428 10 5 EGBEMO COC(=O)[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671624 460304120 /nfs/dbraw/zinc/30/41/20/460304120.db2.gz ZSAMNZAEPKYWHQ-ACJLOTCBSA-N 1 1 340.379 3.428 10 5 EGBEMO Cc1c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000174476426 533904924 /nfs/dbraw/zinc/90/49/24/533904924.db2.gz ZZLTZGOBKLPLQU-AGUYFDCRSA-N 1 1 332.404 3.040 10 5 EGBEMO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872023715 1296667006 /nfs/dbraw/zinc/66/70/06/1296667006.db2.gz JSFPLYGSCXZWFK-ZDUSSCGKSA-N 1 1 345.374 3.123 10 5 EGBEMO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024187 1296667493 /nfs/dbraw/zinc/66/74/93/1296667493.db2.gz OYVCELHPRKKEBS-CYBMUJFWSA-N 1 1 345.374 3.123 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836915 1309547509 /nfs/dbraw/zinc/54/75/09/1309547509.db2.gz QADNJTKNRPCHBG-BLMSOEDDSA-N 1 1 344.333 3.245 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836917 1309547865 /nfs/dbraw/zinc/54/78/65/1309547865.db2.gz QADNJTKNRPCHBG-WASHYIJTSA-N 1 1 344.333 3.245 10 5 EGBEMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000858013084 1328658293 /nfs/dbraw/zinc/65/82/93/1328658293.db2.gz PSRWEYIWAKBXRX-OAHLLOKOSA-N 1 1 331.347 3.091 10 5 EGBEMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nc1 ZINC000858013084 1328658295 /nfs/dbraw/zinc/65/82/95/1328658295.db2.gz PSRWEYIWAKBXRX-OAHLLOKOSA-N 1 1 331.347 3.091 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1 ZINC000858045652 1328669330 /nfs/dbraw/zinc/66/93/30/1328669330.db2.gz XMKLNCUJQCKKKM-HNNXBMFYSA-N 1 1 331.347 3.091 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)nc1 ZINC000858045652 1328669334 /nfs/dbraw/zinc/66/93/34/1328669334.db2.gz XMKLNCUJQCKKKM-HNNXBMFYSA-N 1 1 331.347 3.091 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000859561992 1329017837 /nfs/dbraw/zinc/01/78/37/1329017837.db2.gz OZZHIXXZTPYZBT-YPMHNXCESA-N 1 1 339.823 3.051 10 5 EGBEMO C[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000927031251 1327825613 /nfs/dbraw/zinc/82/56/13/1327825613.db2.gz WVBPJNHJUVZVOA-XNRPHZJLSA-N 1 1 346.456 3.291 10 5 EGBEMO NC(=O)C[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000862534426 1329493666 /nfs/dbraw/zinc/49/36/66/1329493666.db2.gz BHIXMTGMZHRMBG-KRWDZBQOSA-N 1 1 334.419 3.069 10 5 EGBEMO C[C@@]1(C(F)(F)F)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000866158690 1330071771 /nfs/dbraw/zinc/07/17/71/1330071771.db2.gz PEVZXROHQHAFCZ-AWEZNQCLSA-N 1 1 341.289 3.301 10 5 EGBEMO C[N@H+]1CC[C@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866209724 1330079085 /nfs/dbraw/zinc/07/90/85/1330079085.db2.gz VLPHAIOLZQKIFE-GWCFXTLKSA-N 1 1 329.322 3.144 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1nn(C)cc1[N+](=O)[O-] ZINC001184840369 1387548181 /nfs/dbraw/zinc/54/81/81/1387548181.db2.gz ZHJIRBREEMKNHL-CQSZACIVSA-N 1 1 343.431 3.315 10 5 EGBEMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001197404265 1368807390 /nfs/dbraw/zinc/80/73/90/1368807390.db2.gz RFIGTIWVWZEUER-LRDDRELGSA-N 1 1 338.791 3.023 10 5 EGBEMO Cc1ccc(C[N@H+]2CCCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC001117538148 1371051353 /nfs/dbraw/zinc/05/13/53/1371051353.db2.gz NFVYUAJVYXUAHJ-UHFFFAOYSA-N 1 1 326.400 3.011 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1CC(C)(C)C1 ZINC001272092963 1377656784 /nfs/dbraw/zinc/65/67/84/1377656784.db2.gz LKNQGWARSVLAKQ-UHFFFAOYSA-N 1 1 347.459 3.311 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1CC(C)(C)C1 ZINC001272092963 1377656786 /nfs/dbraw/zinc/65/67/86/1377656786.db2.gz LKNQGWARSVLAKQ-UHFFFAOYSA-N 1 1 347.459 3.311 10 5 EGBEMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001148757257 1379262226 /nfs/dbraw/zinc/26/22/26/1379262226.db2.gz FUTXHNSCAOYIHO-AWEZNQCLSA-N 1 1 333.432 3.106 10 5 EGBEMO CC(C)[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[N@H+]1C ZINC001163942110 1383137991 /nfs/dbraw/zinc/13/79/91/1383137991.db2.gz LRBFVJZJLRONEG-CYBMUJFWSA-N 1 1 342.237 3.134 10 5 EGBEMO CCOC(=O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001167760204 1383734132 /nfs/dbraw/zinc/73/41/32/1383734132.db2.gz RKASEGMELFTHTB-UHFFFAOYSA-N 1 1 338.404 3.027 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3ccc(Cl)cc3)C2)nc1 ZINC001167778451 1383738234 /nfs/dbraw/zinc/73/82/34/1383738234.db2.gz GTHXZZIJKIBEIV-HNNXBMFYSA-N 1 1 346.818 3.372 10 5 EGBEMO CCc1ccc(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC001167779522 1383738249 /nfs/dbraw/zinc/73/82/49/1383738249.db2.gz UAYFANXCPGKICD-KRWDZBQOSA-N 1 1 340.427 3.281 10 5 EGBEMO CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](CC)C2)cc1C ZINC001306949667 1383925072 /nfs/dbraw/zinc/92/50/72/1383925072.db2.gz WUIQDRSCJJWTKG-CQSZACIVSA-N 1 1 349.431 3.224 10 5 EGBEMO CCC[N@@H+](CC)CCNc1cc(C)c(C(=O)OCC)cc1[N+](=O)[O-] ZINC001306985909 1383930050 /nfs/dbraw/zinc/93/00/50/1383930050.db2.gz ALLFGFTYQHLNBC-UHFFFAOYSA-N 1 1 337.420 3.224 10 5 EGBEMO COC(=O)/C=C/c1ccc(NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001307141276 1383944457 /nfs/dbraw/zinc/94/44/57/1383944457.db2.gz UROVAJPDLAHCCY-SOFGYWHQSA-N 1 1 347.415 3.067 10 5 EGBEMO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001307428276 1383987964 /nfs/dbraw/zinc/98/79/64/1383987964.db2.gz DZRSNVYGQCIMKK-QGZVFWFLSA-N 1 1 328.416 3.098 10 5 EGBEMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307547603 1384000444 /nfs/dbraw/zinc/00/04/44/1384000444.db2.gz DYTFCQPKGDLGHO-RHSMWYFYSA-N 1 1 345.443 3.385 10 5 EGBEMO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001176422956 1385582380 /nfs/dbraw/zinc/58/23/80/1385582380.db2.gz QRBSSWURFGBEDV-QGZVFWFLSA-N 1 1 343.339 3.291 10 5 EGBEMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001319400824 1386104597 /nfs/dbraw/zinc/10/45/97/1386104597.db2.gz UYLRGHFJYUUFKK-AUUYWEPGSA-N 1 1 344.411 3.200 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC001319987386 1386436650 /nfs/dbraw/zinc/43/66/50/1386436650.db2.gz YZUKBMFUHSIWEI-UHFFFAOYSA-N 1 1 347.459 3.167 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1C(C)(C)C1(C)C ZINC001319987386 1386436654 /nfs/dbraw/zinc/43/66/54/1386436654.db2.gz YZUKBMFUHSIWEI-UHFFFAOYSA-N 1 1 347.459 3.167 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccoc1 ZINC001332688888 1390152972 /nfs/dbraw/zinc/15/29/72/1390152972.db2.gz NYMBMCZEDGZCQH-UHFFFAOYSA-N 1 1 345.399 3.170 10 5 EGBEMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC23CCOCC3)c1 ZINC001333483109 1390316158 /nfs/dbraw/zinc/31/61/58/1390316158.db2.gz JWLNYTPJTAQZPI-UHFFFAOYSA-N 1 1 341.205 3.112 10 5 EGBEMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC23CCOCC3)c1 ZINC001333483109 1390316159 /nfs/dbraw/zinc/31/61/59/1390316159.db2.gz JWLNYTPJTAQZPI-UHFFFAOYSA-N 1 1 341.205 3.112 10 5 EGBEMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001349899734 1391383168 /nfs/dbraw/zinc/38/31/68/1391383168.db2.gz RWQVEBZYFLAFNK-UHFFFAOYSA-N 1 1 343.730 3.081 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1(C)CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001479853460 1392433574 /nfs/dbraw/zinc/43/35/74/1392433574.db2.gz PJMYJVPIERIKIZ-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CC[N@@H+](CCNC(=O)C1(C)CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480991766 1393072834 /nfs/dbraw/zinc/07/28/34/1393072834.db2.gz KYWDTUMIWSVZFF-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC/C=C(/C)C(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481161186 1393138590 /nfs/dbraw/zinc/13/85/90/1393138590.db2.gz CWRNTWDPLCVPNA-NSIKDUERSA-N 1 1 331.416 3.032 10 5 EGBEMO CC/C=C(/C)C(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481161186 1393138591 /nfs/dbraw/zinc/13/85/91/1393138591.db2.gz CWRNTWDPLCVPNA-NSIKDUERSA-N 1 1 331.416 3.032 10 5 EGBEMO C[N@H+](CCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC001690990215 1404907749 /nfs/dbraw/zinc/90/77/49/1404907749.db2.gz VSUIHIZQERVVSY-UHFFFAOYSA-N 1 1 347.802 3.110 10 5 EGBEMO C[N@@H+](CCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC001690990215 1404907752 /nfs/dbraw/zinc/90/77/52/1404907752.db2.gz VSUIHIZQERVVSY-UHFFFAOYSA-N 1 1 347.802 3.110 10 5 EGBEMO CCC(=CC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)CC ZINC001732579473 1428784023 /nfs/dbraw/zinc/78/40/23/1428784023.db2.gz KDUMVGOZXBIVAF-UHFFFAOYSA-N 1 1 333.432 3.231 10 5 EGBEMO CCC(=CC(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)CC ZINC001732579473 1428784027 /nfs/dbraw/zinc/78/40/27/1428784027.db2.gz KDUMVGOZXBIVAF-UHFFFAOYSA-N 1 1 333.432 3.231 10 5 EGBEMO C[N@@H+](CCCNC(=O)CC1CC(C)(C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001707400567 1417314473 /nfs/dbraw/zinc/31/44/73/1417314473.db2.gz QQICPGTZLPBWJL-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO Cc1cc(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)oc1C ZINC001712942321 1417503150 /nfs/dbraw/zinc/50/31/50/1417503150.db2.gz WTXWKJVAMCGYFF-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CC(C)C(C)(C)C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001712949413 1417508035 /nfs/dbraw/zinc/50/80/35/1417508035.db2.gz RXKRIKYMFGPPEG-UHFFFAOYSA-N 1 1 335.448 3.215 10 5 EGBEMO CCCC1(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001713913912 1418709894 /nfs/dbraw/zinc/70/98/94/1418709894.db2.gz KYEXOSBKWWYFKZ-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187916949 236338977 /nfs/dbraw/zinc/33/89/77/236338977.db2.gz REEIZEKJCPSAGZ-SCLBCKFNSA-N 1 1 345.399 3.233 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246126884 243198063 /nfs/dbraw/zinc/19/80/63/243198063.db2.gz ZDAAGFIGMSBXJZ-ZFWWWQNUSA-N 1 1 348.447 3.406 10 5 EGBEMO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000089512318 217807766 /nfs/dbraw/zinc/80/77/66/217807766.db2.gz 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EGBEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153935469 224178878 /nfs/dbraw/zinc/17/88/78/224178878.db2.gz DOJAURZXCOCOKH-CCKFTAQKSA-N 1 1 342.395 3.090 10 5 EGBEMO C[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000346189860 141176105 /nfs/dbraw/zinc/17/61/05/141176105.db2.gz ZXPQCVHHZVOSQY-UHFFFAOYSA-N 1 1 328.397 3.474 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000359090735 167063485 /nfs/dbraw/zinc/06/34/85/167063485.db2.gz DWHIUFHXVWRLGW-UHFFFAOYSA-N 1 1 332.379 3.290 10 5 EGBEMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174882087 265078059 /nfs/dbraw/zinc/07/80/59/265078059.db2.gz QWDINPDSTTZLMJ-BBRMVZONSA-N 1 1 332.404 3.420 10 5 EGBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000083550669 274374595 /nfs/dbraw/zinc/37/45/95/274374595.db2.gz YVYNKRPZQSRGKN-ZYHUDNBSSA-N 1 1 340.221 3.030 10 5 EGBEMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](c2ccccc2)C1 ZINC000265595315 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348.443 3.080 10 5 EGBEMO CCn1nccc1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543476 310184480 /nfs/dbraw/zinc/18/44/80/310184480.db2.gz BXVLDVDRVZZPJP-MRXNPFEDSA-N 1 1 328.416 3.233 10 5 EGBEMO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451952689 310204805 /nfs/dbraw/zinc/20/48/05/310204805.db2.gz HOOORMMHOOMISP-QWHCGFSZSA-N 1 1 335.404 3.052 10 5 EGBEMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451952689 310204806 /nfs/dbraw/zinc/20/48/06/310204806.db2.gz HOOORMMHOOMISP-QWHCGFSZSA-N 1 1 335.404 3.052 10 5 EGBEMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000508644935 312098935 /nfs/dbraw/zinc/09/89/35/312098935.db2.gz ZWCAZCQUSIGSKH-ZDUSSCGKSA-N 1 1 346.408 3.318 10 5 EGBEMO C[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512175251 312177720 /nfs/dbraw/zinc/17/77/20/312177720.db2.gz NNMHZTQSAYRLTD-LLVKDONJSA-N 1 1 325.796 3.451 10 5 EGBEMO 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345.374 3.213 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290143311 456251640 /nfs/dbraw/zinc/25/16/40/456251640.db2.gz OFSATSCJUBDSPO-SFHVURJKSA-N 1 1 331.391 3.435 10 5 EGBEMO O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000302116841 456290728 /nfs/dbraw/zinc/29/07/28/456290728.db2.gz CITBBCYZXSJYLA-BRWVUGGUSA-N 1 1 338.411 3.312 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302182853 456310053 /nfs/dbraw/zinc/31/00/53/456310053.db2.gz RKEOFOFVWDBCOZ-RDTXWAMCSA-N 1 1 341.411 3.020 10 5 EGBEMO C[N@@H+]1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000340285872 456363464 /nfs/dbraw/zinc/36/34/64/456363464.db2.gz MFSIWVIHIFFWDT-FUHWJXTLSA-N 1 1 329.375 3.269 10 5 EGBEMO C[N@H+]1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000340285872 456363469 /nfs/dbraw/zinc/36/34/69/456363469.db2.gz MFSIWVIHIFFWDT-FUHWJXTLSA-N 1 1 329.375 3.269 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291241919 456577201 /nfs/dbraw/zinc/57/72/01/456577201.db2.gz LICIVVVBTBTPAU-IBGZPJMESA-N 1 1 326.396 3.039 10 5 EGBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000353286606 456612492 /nfs/dbraw/zinc/61/24/92/456612492.db2.gz MEMLTIJFAFFWEX-MRXNPFEDSA-N 1 1 347.459 3.388 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1C ZINC000354393609 457195925 /nfs/dbraw/zinc/19/59/25/457195925.db2.gz LEGUBXBCVWXSEE-STQMWFEESA-N 1 1 344.415 3.021 10 5 EGBEMO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342284334 457211928 /nfs/dbraw/zinc/21/19/28/457211928.db2.gz RNEZMMXDGYBSRQ-GFCCVEGCSA-N 1 1 341.367 3.087 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(Cl)c1 ZINC000363716606 457425764 /nfs/dbraw/zinc/42/57/64/457425764.db2.gz YFOLILMUNDECPK-CYBMUJFWSA-N 1 1 332.791 3.418 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c(Cl)c1 ZINC000363716606 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EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCF)C2)cc1OC(F)F ZINC000865927909 1329752429 /nfs/dbraw/zinc/75/24/29/1329752429.db2.gz KRHWTNLKGBNHTR-NSHDSACASA-N 1 1 333.310 3.042 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCF)C2)cc1OC(F)F ZINC000865927909 1329752430 /nfs/dbraw/zinc/75/24/30/1329752430.db2.gz KRHWTNLKGBNHTR-NSHDSACASA-N 1 1 333.310 3.042 10 5 EGBEMO Cc1[nH+]ccn1CCCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869809927 1330568563 /nfs/dbraw/zinc/56/85/63/1330568563.db2.gz CADRFOQZDRYTFQ-UHFFFAOYSA-N 1 1 343.383 3.155 10 5 EGBEMO CO[C@]1(C(F)(F)F)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197324128 1368787800 /nfs/dbraw/zinc/78/78/00/1368787800.db2.gz AOYZXNRPICQYMQ-CQSZACIVSA-N 1 1 348.321 3.017 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001125082366 1372751616 /nfs/dbraw/zinc/75/16/16/1372751616.db2.gz KAUIMDPQRDQWDL-MRXNPFEDSA-N 1 1 340.379 3.331 10 5 EGBEMO Cc1cc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC001129402898 1373380676 /nfs/dbraw/zinc/38/06/76/1373380676.db2.gz DFOTWQPEZOSCTD-UHFFFAOYSA-N 1 1 328.303 3.251 10 5 EGBEMO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001131096155 1373643499 /nfs/dbraw/zinc/64/34/99/1373643499.db2.gz QLHDREOPHHRAOO-CQSZACIVSA-N 1 1 347.459 3.495 10 5 EGBEMO Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc(C)[nH+]1 ZINC001326774913 1388307080 /nfs/dbraw/zinc/30/70/80/1388307080.db2.gz DXMHJHYRVJOMHZ-UHFFFAOYSA-N 1 1 339.273 3.300 10 5 EGBEMO CC[C@@H](C)[N@H+](CCc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC001307439195 1383991283 /nfs/dbraw/zinc/99/12/83/1383991283.db2.gz RGAVKQVHXNJEQS-CQSZACIVSA-N 1 1 334.395 3.274 10 5 EGBEMO Cc1cccc(C[C@]2(C)CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC001307971468 1384065975 /nfs/dbraw/zinc/06/59/75/1384065975.db2.gz ABQKRBBVGQONLA-SFHVURJKSA-N 1 1 328.416 3.197 10 5 EGBEMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001335885987 1388958850 /nfs/dbraw/zinc/95/88/50/1388958850.db2.gz UVNJVHZFDUWUSK-UWVGGRQHSA-N 1 1 343.221 3.091 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001350450637 1391466421 /nfs/dbraw/zinc/46/64/21/1391466421.db2.gz CBGGNKUPFRRBPY-KBPBESRZSA-N 1 1 333.432 3.204 10 5 EGBEMO Cc1sccc1C(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001698987244 1406771784 /nfs/dbraw/zinc/77/17/84/1406771784.db2.gz JUHIYSOQBIYDPI-UHFFFAOYSA-N 1 1 347.440 3.169 10 5 EGBEMO Cc1sccc1C(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001698987244 1406771787 /nfs/dbraw/zinc/77/17/87/1406771787.db2.gz JUHIYSOQBIYDPI-UHFFFAOYSA-N 1 1 347.440 3.169 10 5 EGBEMO CC[N@H+](CCCNC(=O)C=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001689926686 1404212028 /nfs/dbraw/zinc/21/20/28/1404212028.db2.gz KJTRUGSDWWAZDK-UHFFFAOYSA-N 1 1 337.445 3.095 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001689926686 1404212032 /nfs/dbraw/zinc/21/20/32/1404212032.db2.gz KJTRUGSDWWAZDK-UHFFFAOYSA-N 1 1 337.445 3.095 10 5 EGBEMO CC(C)N(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001700970487 1414593936 /nfs/dbraw/zinc/59/39/36/1414593936.db2.gz PZZILOUDBZAFJS-UHFFFAOYSA-N 1 1 339.411 3.012 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001700970487 1414593939 /nfs/dbraw/zinc/59/39/39/1414593939.db2.gz PZZILOUDBZAFJS-UHFFFAOYSA-N 1 1 339.411 3.012 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\C(C)(C)C ZINC001724848786 1425207476 /nfs/dbraw/zinc/20/74/76/1425207476.db2.gz RRWRNISRKRVQQJ-KHPPLWFESA-N 1 1 347.459 3.477 10 5 EGBEMO Cc1sc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000175046024 231374877 /nfs/dbraw/zinc/37/48/77/231374877.db2.gz QAGNKBHNMNVNNF-OLZOCXBDSA-N 1 1 337.445 3.052 10 5 EGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183334017 529761422 /nfs/dbraw/zinc/76/14/22/529761422.db2.gz GAOKFGHMRQJHOK-KRWDZBQOSA-N 1 1 328.416 3.499 10 5 EGBEMO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101914355 219172955 /nfs/dbraw/zinc/17/29/55/219172955.db2.gz FCIKIPVAWXQHSQ-GJZGRUSLSA-N 1 1 333.432 3.284 10 5 EGBEMO COc1cc(C[NH+]2CCC(OCC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184250039 235346085 /nfs/dbraw/zinc/34/60/85/235346085.db2.gz BLQOCXDVBVBRBU-UHFFFAOYSA-N 1 1 340.395 3.380 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247167672 243384798 /nfs/dbraw/zinc/38/47/98/243384798.db2.gz VBNWDIWLRUOPQD-DZKIICNBSA-N 1 1 348.447 3.088 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000341063165 155131432 /nfs/dbraw/zinc/13/14/32/155131432.db2.gz DHVMWOREIMRUPT-TXEJJXNPSA-N 1 1 339.823 3.241 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000249106313 163056695 /nfs/dbraw/zinc/05/66/95/163056695.db2.gz QLCWQNLGJMBRIG-GOEBONIOSA-N 1 1 348.447 3.406 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000343876714 164056140 /nfs/dbraw/zinc/05/61/40/164056140.db2.gz WNVVZNWVTYMVTL-UHFFFAOYSA-N 1 1 338.795 3.195 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344033830 164087313 /nfs/dbraw/zinc/08/73/13/164087313.db2.gz FWEWYJQFRQZFRC-UONOGXRCSA-N 1 1 347.415 3.219 10 5 EGBEMO COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000355196068 166129237 /nfs/dbraw/zinc/12/92/37/166129237.db2.gz HABLBWNPQXHRAD-GXSJLCMTSA-N 1 1 348.321 3.385 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000355196068 166129238 /nfs/dbraw/zinc/12/92/38/166129238.db2.gz HABLBWNPQXHRAD-GXSJLCMTSA-N 1 1 348.321 3.385 10 5 EGBEMO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000365806226 168045330 /nfs/dbraw/zinc/04/53/30/168045330.db2.gz NNHWAMHHFYSLEH-UHFFFAOYSA-N 1 1 349.387 3.142 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000376474343 274828747 /nfs/dbraw/zinc/82/87/47/274828747.db2.gz NPUWOSYLLKEWBC-UHFFFAOYSA-N 1 1 337.383 3.489 10 5 EGBEMO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295037150 308284166 /nfs/dbraw/zinc/28/41/66/308284166.db2.gz WSZVCVPBZIAMMG-ZDUSSCGKSA-N 1 1 326.400 3.064 10 5 EGBEMO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414929100 309109872 /nfs/dbraw/zinc/10/98/72/309109872.db2.gz NOLJJKLZOYNYKW-WBMJQRKESA-N 1 1 331.441 3.411 10 5 EGBEMO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414933859 309109939 /nfs/dbraw/zinc/10/99/39/309109939.db2.gz DTIRINZGDASDLS-IUODEOHRSA-N 1 1 331.441 3.411 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449419010 310060361 /nfs/dbraw/zinc/06/03/61/310060361.db2.gz GKSCSXZOLAEASY-OALUTQOASA-N 1 1 344.386 3.203 10 5 EGBEMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449420037 310060518 /nfs/dbraw/zinc/06/05/18/310060518.db2.gz ISRBWTGQSVDURR-YOEHRIQHSA-N 1 1 330.384 3.448 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](NCc2n[nH]c(C3CC3)n2)c2ccccc2)c1 ZINC000453272238 310268378 /nfs/dbraw/zinc/26/83/78/310268378.db2.gz HWFJHUXZCSEPJM-SFHVURJKSA-N 1 1 349.394 3.470 10 5 EGBEMO Cc1cccc2c1cc[nH+]c2N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000580186514 325215254 /nfs/dbraw/zinc/21/52/54/325215254.db2.gz XHKUTQRYLGNSRY-UHFFFAOYSA-N 1 1 349.394 3.173 10 5 EGBEMO CN1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]2CCC[C@H]21 ZINC000580494143 325256451 /nfs/dbraw/zinc/25/64/51/325256451.db2.gz ZCDNUKQNNGYXLE-ZYSHUDEJSA-N 1 1 342.443 3.081 10 5 EGBEMO CC(C)NC(=O)c1ccc(NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000076776177 454035762 /nfs/dbraw/zinc/03/57/62/454035762.db2.gz BLWXGULTMKDAOY-AWEZNQCLSA-N 1 1 348.447 3.019 10 5 EGBEMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000119397293 454192224 /nfs/dbraw/zinc/19/22/24/454192224.db2.gz UCIQRXIZJWAPBF-CQSZACIVSA-N 1 1 330.384 3.242 10 5 EGBEMO COc1cccc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000079437547 454415094 /nfs/dbraw/zinc/41/50/94/454415094.db2.gz KCLNUANNGXOZNW-HIFRSBDPSA-N 1 1 342.399 3.246 10 5 EGBEMO Cc1nc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000091628925 454451982 /nfs/dbraw/zinc/45/19/82/454451982.db2.gz NJEOVFGLZLUXCM-AWEZNQCLSA-N 1 1 344.390 3.321 10 5 EGBEMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153029563 454754359 /nfs/dbraw/zinc/75/43/59/454754359.db2.gz CSSIUWYFMCVTLA-UHFFFAOYSA-N 1 1 335.363 3.407 10 5 EGBEMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153029563 454754361 /nfs/dbraw/zinc/75/43/61/454754361.db2.gz CSSIUWYFMCVTLA-UHFFFAOYSA-N 1 1 335.363 3.407 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127574268 454978847 /nfs/dbraw/zinc/97/88/47/454978847.db2.gz VABQRICSAHXJTG-CQSZACIVSA-N 1 1 334.420 3.160 10 5 EGBEMO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000267104612 455501779 /nfs/dbraw/zinc/50/17/79/455501779.db2.gz XGPDJCONOLSTRQ-WBVHZDCISA-N 1 1 333.432 3.193 10 5 EGBEMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCCO1 ZINC000127985813 455015698 /nfs/dbraw/zinc/01/56/98/455015698.db2.gz GQOPROIDVBODJE-OAHLLOKOSA-N 1 1 333.413 3.329 10 5 EGBEMO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCCO1 ZINC000127985813 455015702 /nfs/dbraw/zinc/01/57/02/455015702.db2.gz GQOPROIDVBODJE-OAHLLOKOSA-N 1 1 333.413 3.329 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245396550 455285331 /nfs/dbraw/zinc/28/53/31/455285331.db2.gz LQSUUDAGMQPGEQ-CZUORRHYSA-N 1 1 347.415 3.197 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000245520012 455320237 /nfs/dbraw/zinc/32/02/37/455320237.db2.gz JEKLYDDWVRFDSC-AEFFLSMTSA-N 1 1 347.459 3.151 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246012291 455414263 /nfs/dbraw/zinc/41/42/63/455414263.db2.gz TYKIBAWYZJNVQD-ZFWWWQNUSA-N 1 1 334.420 3.097 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000267961122 455570101 /nfs/dbraw/zinc/57/01/01/455570101.db2.gz LBCNUEIKKPTGJW-GXTWGEPZSA-N 1 1 334.420 3.158 10 5 EGBEMO COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000283797710 455595117 /nfs/dbraw/zinc/59/51/17/455595117.db2.gz ACFVOWQDSNBGDQ-IBGZPJMESA-N 1 1 343.427 3.304 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CC1 ZINC000277677303 455631665 /nfs/dbraw/zinc/63/16/65/455631665.db2.gz IHHGDCBXDMDFOV-UHFFFAOYSA-N 1 1 349.434 3.308 10 5 EGBEMO CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCC[N@H+](C)C1 ZINC000277852320 455686388 /nfs/dbraw/zinc/68/63/88/455686388.db2.gz AHMKZGNKSFUJJR-CQSZACIVSA-N 1 1 349.434 3.260 10 5 EGBEMO CN(C(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[C@@H]1CCC[N@@H+](C)C1 ZINC000277852320 455686391 /nfs/dbraw/zinc/68/63/91/455686391.db2.gz AHMKZGNKSFUJJR-CQSZACIVSA-N 1 1 349.434 3.260 10 5 EGBEMO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2n1CCCC2 ZINC000192911222 455716642 /nfs/dbraw/zinc/71/66/42/455716642.db2.gz QLPVWHHRFNEIRW-LRDDRELGSA-N 1 1 341.415 3.251 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248621010 455723550 /nfs/dbraw/zinc/72/35/50/455723550.db2.gz COFUIRLITHVMNE-UONOGXRCSA-N 1 1 334.420 3.158 10 5 EGBEMO CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000216161666 456028312 /nfs/dbraw/zinc/02/83/12/456028312.db2.gz OWQFKNXVALYCLH-AWEZNQCLSA-N 1 1 327.384 3.444 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000301432717 456115309 /nfs/dbraw/zinc/11/53/09/456115309.db2.gz HMYGXRUOXWHIMW-UHFFFAOYSA-N 1 1 345.374 3.213 10 5 EGBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301870866 456237878 /nfs/dbraw/zinc/23/78/78/456237878.db2.gz PKQALYDSZBNDCD-ZBFHGGJFSA-N 1 1 338.411 3.330 10 5 EGBEMO C[C@@H]1CCCC[N@@H+]1CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000301893893 456244360 /nfs/dbraw/zinc/24/43/60/456244360.db2.gz PBOUONRTEILZMD-SNVBAGLBSA-N 1 1 343.225 3.039 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000301893893 456244369 /nfs/dbraw/zinc/24/43/69/456244369.db2.gz PBOUONRTEILZMD-SNVBAGLBSA-N 1 1 343.225 3.039 10 5 EGBEMO Cc1ccnc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282002894 456387498 /nfs/dbraw/zinc/38/74/98/456387498.db2.gz ULCDEOSNTRRVFM-AWEZNQCLSA-N 1 1 341.415 3.215 10 5 EGBEMO CC[N@H+]1CC[C@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290787113 456430864 /nfs/dbraw/zinc/43/08/64/456430864.db2.gz CRVYPGMKKZRFLT-SNVBAGLBSA-N 1 1 332.231 3.333 10 5 EGBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000310891804 456586183 /nfs/dbraw/zinc/58/61/83/456586183.db2.gz ZENARDGNMOQOHN-YESZJQIVSA-N 1 1 338.411 3.312 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnn1-c1ccccc1 ZINC000348667489 456807886 /nfs/dbraw/zinc/80/78/86/456807886.db2.gz CYGZWBJMNUEXKK-UHFFFAOYSA-N 1 1 336.395 3.455 10 5 EGBEMO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000354418824 457210813 /nfs/dbraw/zinc/21/08/13/457210813.db2.gz JARRXZHAZGFNQN-AWEZNQCLSA-N 1 1 346.818 3.354 10 5 EGBEMO Cc1nc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000354422141 457212149 /nfs/dbraw/zinc/21/21/49/457212149.db2.gz KPJGOMMALGEVCS-MRXNPFEDSA-N 1 1 326.400 3.009 10 5 EGBEMO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000342306172 457227648 /nfs/dbraw/zinc/22/76/48/457227648.db2.gz FSQKAVDLQKLLST-INIZCTEOSA-N 1 1 334.347 3.220 10 5 EGBEMO CNC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000360762344 457341010 /nfs/dbraw/zinc/34/10/10/457341010.db2.gz FIKQIQMTPOIMBG-INIZCTEOSA-N 1 1 347.802 3.215 10 5 EGBEMO COc1ccccc1CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361264170 457671747 /nfs/dbraw/zinc/67/17/47/457671747.db2.gz ZEOOSSFKAYFATN-UHFFFAOYSA-N 1 1 340.383 3.154 10 5 EGBEMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000374783240 457705836 /nfs/dbraw/zinc/70/58/36/457705836.db2.gz UJPFPSPPDJOZTJ-MQVJKMGUSA-N 1 1 326.400 3.239 10 5 EGBEMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000370739497 457710292 /nfs/dbraw/zinc/71/02/92/457710292.db2.gz NKIJXQQEMGSMSA-MRXNPFEDSA-N 1 1 345.399 3.299 10 5 EGBEMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000370739497 457710297 /nfs/dbraw/zinc/71/02/97/457710297.db2.gz NKIJXQQEMGSMSA-MRXNPFEDSA-N 1 1 345.399 3.299 10 5 EGBEMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCCn2cc[nH+]c21 ZINC000364971901 457720363 /nfs/dbraw/zinc/72/03/63/457720363.db2.gz ABEYUXOKAFKEEC-SECBINFHSA-N 1 1 341.293 3.195 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCCC[C@@H]1C ZINC000411274015 457845665 /nfs/dbraw/zinc/84/56/65/457845665.db2.gz CYRYPHOKUMEVBW-ZDUSSCGKSA-N 1 1 335.404 3.197 10 5 EGBEMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412042336 458062088 /nfs/dbraw/zinc/06/20/88/458062088.db2.gz UYNIGOSWFPVHMP-UHFFFAOYSA-N 1 1 335.404 3.052 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412046308 458064897 /nfs/dbraw/zinc/06/48/97/458064897.db2.gz QYFDOEFZHUAGSF-LBPRGKRZSA-N 1 1 335.404 3.052 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412046308 458064907 /nfs/dbraw/zinc/06/49/07/458064907.db2.gz QYFDOEFZHUAGSF-LBPRGKRZSA-N 1 1 335.404 3.052 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412054851 458071198 /nfs/dbraw/zinc/07/11/98/458071198.db2.gz NBGUDZYSFQUMSI-IHETXDGRSA-N 1 1 345.443 3.077 10 5 EGBEMO C[N@H+]1CCCC[C@@H]1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000431859793 458634859 /nfs/dbraw/zinc/63/48/59/458634859.db2.gz SIEVEWLWUPEIPU-MRXNPFEDSA-N 1 1 345.443 3.350 10 5 EGBEMO CSc1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000595376703 459287323 /nfs/dbraw/zinc/28/73/23/459287323.db2.gz SETCZMVCHVZJKL-CQSZACIVSA-N 1 1 344.440 3.398 10 5 EGBEMO COc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000540902227 459399974 /nfs/dbraw/zinc/39/99/74/459399974.db2.gz UDPUFVJGQVFXSQ-UHFFFAOYSA-N 1 1 344.367 3.007 10 5 EGBEMO COc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000540902227 459399981 /nfs/dbraw/zinc/39/99/81/459399981.db2.gz UDPUFVJGQVFXSQ-UHFFFAOYSA-N 1 1 344.367 3.007 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000595739091 459419858 /nfs/dbraw/zinc/41/98/58/459419858.db2.gz SWYGOHREWZEUIZ-KZNAEPCWSA-N 1 1 346.427 3.191 10 5 EGBEMO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000595781935 459437329 /nfs/dbraw/zinc/43/73/29/459437329.db2.gz WSBGIHJCHXBRER-OLZOCXBDSA-N 1 1 331.372 3.249 10 5 EGBEMO C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000595781935 459437334 /nfs/dbraw/zinc/43/73/34/459437334.db2.gz WSBGIHJCHXBRER-OLZOCXBDSA-N 1 1 331.372 3.249 10 5 EGBEMO COc1ccc(CNc2cc(C(F)(F)F)cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000596083071 459513435 /nfs/dbraw/zinc/51/34/35/459513435.db2.gz BLWMSFZLGZOMBM-UHFFFAOYSA-N 1 1 341.289 3.360 10 5 EGBEMO CCOCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131031 459530252 /nfs/dbraw/zinc/53/02/52/459530252.db2.gz QOOGZDORCGQHHG-QAQDUYKDSA-N 1 1 336.432 3.127 10 5 EGBEMO CCSCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130314 459530289 /nfs/dbraw/zinc/53/02/89/459530289.db2.gz BHGNJJROUYCXHK-WKILWMFISA-N 1 1 338.473 3.453 10 5 EGBEMO COc1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596255781 459575730 /nfs/dbraw/zinc/57/57/30/459575730.db2.gz UMYXTQJFGGDOKE-LLVKDONJSA-N 1 1 339.823 3.177 10 5 EGBEMO COc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596272274 459580972 /nfs/dbraw/zinc/58/09/72/459580972.db2.gz WFEYLKWGYOQCEL-NSHDSACASA-N 1 1 327.812 3.401 10 5 EGBEMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592446542 459600769 /nfs/dbraw/zinc/60/07/69/459600769.db2.gz FQTRSNQEJKQIFX-QAPCUYQASA-N 1 1 346.427 3.011 10 5 EGBEMO CCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000596451818 459641905 /nfs/dbraw/zinc/64/19/05/459641905.db2.gz CFGDWQYCGHQQPL-ZBFHGGJFSA-N 1 1 348.447 3.090 10 5 EGBEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592752552 459684090 /nfs/dbraw/zinc/68/40/90/459684090.db2.gz OQTOBLXVLFPMMP-STQMWFEESA-N 1 1 330.388 3.182 10 5 EGBEMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592770755 459687384 /nfs/dbraw/zinc/68/73/84/459687384.db2.gz CNLLZZVHWKNLHN-KGLIPLIRSA-N 1 1 344.415 3.491 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000593023899 459743815 /nfs/dbraw/zinc/74/38/15/459743815.db2.gz GFAQFVFIVCLFFO-LBPRGKRZSA-N 1 1 346.387 3.010 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596786859 459763177 /nfs/dbraw/zinc/76/31/77/459763177.db2.gz AVHAUJRBCLHBEY-CYBMUJFWSA-N 1 1 334.420 3.206 10 5 EGBEMO C[C@H]1c2ccccc2OCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609145474 459911653 /nfs/dbraw/zinc/91/16/53/459911653.db2.gz FOSDEXJEBDXPHF-AWEZNQCLSA-N 1 1 328.368 3.429 10 5 EGBEMO C[C@H]1c2ccccc2OCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609145474 459911663 /nfs/dbraw/zinc/91/16/63/459911663.db2.gz FOSDEXJEBDXPHF-AWEZNQCLSA-N 1 1 328.368 3.429 10 5 EGBEMO Cn1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593694858 459954053 /nfs/dbraw/zinc/95/40/53/459954053.db2.gz CKQWPCARKIZODK-INIZCTEOSA-N 1 1 348.353 3.226 10 5 EGBEMO C[N@H+]1CCC[C@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000599055554 460142950 /nfs/dbraw/zinc/14/29/50/460142950.db2.gz HUDMQHQSVFNKIU-HOCLYGCPSA-N 1 1 326.400 3.064 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000598038928 460150832 /nfs/dbraw/zinc/15/08/32/460150832.db2.gz HKVNWCGEKOFVFL-SJLPKXTDSA-N 1 1 347.459 3.106 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)c(NC2CC([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000599093947 460159290 /nfs/dbraw/zinc/15/92/90/460159290.db2.gz CAJZXTUOGSCHGG-UHFFFAOYSA-N 1 1 346.214 3.177 10 5 EGBEMO Cc1nc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000610755249 460231956 /nfs/dbraw/zinc/23/19/56/460231956.db2.gz HAHCRISWWASPQN-HNNXBMFYSA-N 1 1 337.383 3.428 10 5 EGBEMO CCOC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000600123071 460391435 /nfs/dbraw/zinc/39/14/35/460391435.db2.gz ITXSUHRZNHBALY-LBPRGKRZSA-N 1 1 329.356 3.017 10 5 EGBEMO Cc1sc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229949 460451333 /nfs/dbraw/zinc/45/13/33/460451333.db2.gz YQVUZCBXVODDRB-ZDUSSCGKSA-N 1 1 337.445 3.102 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000601289932 460778471 /nfs/dbraw/zinc/77/84/71/460778471.db2.gz WSBMMDRWKOEARA-HZPDHXFCSA-N 1 1 326.400 3.340 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000246559077 535876026 /nfs/dbraw/zinc/87/60/26/535876026.db2.gz MAMFJYYIYRUZCN-OLZOCXBDSA-N 1 1 349.456 3.016 10 5 EGBEMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000745455210 576848176 /nfs/dbraw/zinc/84/81/76/576848176.db2.gz FEKCKEIVIIQRLA-HNNXBMFYSA-N 1 1 349.431 3.474 10 5 EGBEMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000745455210 576848177 /nfs/dbraw/zinc/84/81/77/576848177.db2.gz FEKCKEIVIIQRLA-HNNXBMFYSA-N 1 1 349.431 3.474 10 5 EGBEMO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000872061522 1296708251 /nfs/dbraw/zinc/70/82/51/1296708251.db2.gz FRCXYGFPGJCEDI-HVDRQEDPSA-N 1 1 338.379 3.111 10 5 EGBEMO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000872067798 1296714402 /nfs/dbraw/zinc/71/44/02/1296714402.db2.gz CKVLGDPTABGNIP-MNOVXSKESA-N 1 1 341.383 3.298 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCc4c[nH]nc43)c2c1 ZINC000857867995 1328609830 /nfs/dbraw/zinc/60/98/30/1328609830.db2.gz MWBKRRWFFJCPHQ-MRXNPFEDSA-N 1 1 325.372 3.009 10 5 EGBEMO CC(C)[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858445111 1328764224 /nfs/dbraw/zinc/76/42/24/1328764224.db2.gz AOYFLTDDOMUWQG-UHFFFAOYSA-N 1 1 329.400 3.208 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930440498 1328854745 /nfs/dbraw/zinc/85/47/45/1328854745.db2.gz NPNUGJZZEQNIMH-TZMCWYRMSA-N 1 1 332.322 3.179 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(CN(C)C)cs1 ZINC000922489358 1322541140 /nfs/dbraw/zinc/54/11/40/1322541140.db2.gz GQYWDMXKYHUJGP-QPEQYQDCSA-N 1 1 346.456 3.306 10 5 EGBEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928246292 1328253310 /nfs/dbraw/zinc/25/33/10/1328253310.db2.gz GXTDMAINNJFKPA-QWHCGFSZSA-N 1 1 330.388 3.182 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339540 1329548284 /nfs/dbraw/zinc/54/82/84/1329548284.db2.gz DAZFWUVYKCSDAR-XQJDBVBESA-N 1 1 331.372 3.138 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339540 1329548286 /nfs/dbraw/zinc/54/82/86/1329548286.db2.gz DAZFWUVYKCSDAR-XQJDBVBESA-N 1 1 331.372 3.138 10 5 EGBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001323325649 1387338599 /nfs/dbraw/zinc/33/85/99/1387338599.db2.gz YDCZLAUKGCSKOY-LSDHHAIUSA-N 1 1 347.394 3.116 10 5 EGBEMO CN(CC[C@@H]1CCCC[N@H+]1C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001185528080 1387739863 /nfs/dbraw/zinc/73/98/63/1387739863.db2.gz SKQHZCBHSCCDKH-HNNXBMFYSA-N 1 1 332.448 3.179 10 5 EGBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001195307714 1368418021 /nfs/dbraw/zinc/41/80/21/1368418021.db2.gz VUQRFRQAIYUMFW-DZGCQCFKSA-N 1 1 331.416 3.434 10 5 EGBEMO O=C(C[N@@H+]1CCC[C@@H](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197201800 1368763189 /nfs/dbraw/zinc/76/31/89/1368763189.db2.gz IWAQMTIQHZBSGX-OAHLLOKOSA-N 1 1 331.416 3.436 10 5 EGBEMO O=C(C[N@H+]1CCC[C@@H](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197201800 1368763191 /nfs/dbraw/zinc/76/31/91/1368763191.db2.gz IWAQMTIQHZBSGX-OAHLLOKOSA-N 1 1 331.416 3.436 10 5 EGBEMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC001127595162 1373145118 /nfs/dbraw/zinc/14/51/18/1373145118.db2.gz OWHHFSLATMFJRG-NEPJUHHUSA-N 1 1 339.823 3.111 10 5 EGBEMO COc1cc(N2CC[NH+](C(C)(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001327957277 1388633260 /nfs/dbraw/zinc/63/32/60/1388633260.db2.gz NGXVLIUMKDZNOB-UHFFFAOYSA-N 1 1 327.812 3.177 10 5 EGBEMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001298190595 1383380270 /nfs/dbraw/zinc/38/02/70/1383380270.db2.gz AATRLKGAVMMAAJ-CXAGYDPISA-N 1 1 346.431 3.371 10 5 EGBEMO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167397395 1383622918 /nfs/dbraw/zinc/62/29/18/1383622918.db2.gz NKXIYGHEVLPABC-RDJZCZTQSA-N 1 1 343.427 3.281 10 5 EGBEMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001307486064 1383997222 /nfs/dbraw/zinc/99/72/22/1383997222.db2.gz DTMLTZUWBVOLKS-HOTGVXAUSA-N 1 1 349.431 3.059 10 5 EGBEMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001307545787 1383999287 /nfs/dbraw/zinc/99/92/87/1383999287.db2.gz YJEASHMRIAMPKZ-IAGOWNOFSA-N 1 1 336.432 3.499 10 5 EGBEMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308148244 1384101301 /nfs/dbraw/zinc/10/13/01/1384101301.db2.gz ABPRKEPXKNGNRM-MRXNPFEDSA-N 1 1 327.384 3.293 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC001308147711 1384101400 /nfs/dbraw/zinc/10/14/00/1384101400.db2.gz GNUPNGKNHLJLTM-CRAIPNDOSA-N 1 1 346.814 3.284 10 5 EGBEMO COc1cc(C[N@@H+](C)C[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])cc1F ZINC001308168457 1384104623 /nfs/dbraw/zinc/10/46/23/1384104623.db2.gz JVVBOMQCVZXEEE-IAGOWNOFSA-N 1 1 338.379 3.134 10 5 EGBEMO CC[C@H]1CC[C@H](C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001317468012 1385161710 /nfs/dbraw/zinc/16/17/10/1385161710.db2.gz NPEWVXYBTBDVSK-JCNLHEQBSA-N 1 1 347.459 3.359 10 5 EGBEMO CC[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001317468012 1385161711 /nfs/dbraw/zinc/16/17/11/1385161711.db2.gz NPEWVXYBTBDVSK-JCNLHEQBSA-N 1 1 347.459 3.359 10 5 EGBEMO CC[N@H+](CCNC(=O)CC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317476252 1385172485 /nfs/dbraw/zinc/17/24/85/1385172485.db2.gz UNMXBCUSYFGNRP-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@@H+](CCNC(=O)CC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317476252 1385172487 /nfs/dbraw/zinc/17/24/87/1385172487.db2.gz UNMXBCUSYFGNRP-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001320372404 1386591219 /nfs/dbraw/zinc/59/12/19/1386591219.db2.gz LQOHHVCBDPLLJK-OAHLLOKOSA-N 1 1 327.384 3.236 10 5 EGBEMO Cc1cc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc(C)[nH+]1 ZINC001335428465 1390683845 /nfs/dbraw/zinc/68/38/45/1390683845.db2.gz LIQWBTFKHVRPGJ-UHFFFAOYSA-N 1 1 340.383 3.225 10 5 EGBEMO O=C(NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC=CCC1 ZINC001497761115 1396830612 /nfs/dbraw/zinc/83/06/12/1396830612.db2.gz FYYGTFKZVPPKMZ-WAYWQWQTSA-N 1 1 349.456 3.165 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1=CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001689798666 1404141185 /nfs/dbraw/zinc/14/11/85/1404141185.db2.gz OTMSBYIZDLWWAD-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CC(C)=CC(=O)N(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC001725725841 1426386160 /nfs/dbraw/zinc/38/61/60/1426386160.db2.gz MXVJYVDPSACUCL-UHFFFAOYSA-N 1 1 333.432 3.230 10 5 EGBEMO CC(C)=CC(=O)N(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC001725725841 1426386163 /nfs/dbraw/zinc/38/61/63/1426386163.db2.gz MXVJYVDPSACUCL-UHFFFAOYSA-N 1 1 333.432 3.230 10 5 EGBEMO CC/C=C(\C)C(=O)NCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701045286 1414701978 /nfs/dbraw/zinc/70/19/78/1414701978.db2.gz HNZPSKZEJKCLSB-GIDUJCDVSA-N 1 1 343.427 3.199 10 5 EGBEMO CC/C=C(\C)C(=O)NCC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701045286 1414701980 /nfs/dbraw/zinc/70/19/80/1414701980.db2.gz HNZPSKZEJKCLSB-GIDUJCDVSA-N 1 1 343.427 3.199 10 5 EGBEMO C[N@H+](CCNC(=O)CC1(C)CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713451970 1418097402 /nfs/dbraw/zinc/09/74/02/1418097402.db2.gz BPYPABHJBIWJRE-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO C[N@@H+](CCNC(=O)CC1(C)CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713451970 1418097407 /nfs/dbraw/zinc/09/74/07/1418097407.db2.gz BPYPABHJBIWJRE-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CCC1(C(=O)N(C)CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001715932056 1420404117 /nfs/dbraw/zinc/40/41/17/1420404117.db2.gz CVPUMVQOTFGQAH-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO CCC1(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001715932056 1420404119 /nfs/dbraw/zinc/40/41/19/1420404119.db2.gz CVPUMVQOTFGQAH-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO Cc1coc(C)c1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001731239474 1427196874 /nfs/dbraw/zinc/19/68/74/1427196874.db2.gz VWOTWFLQBTVOSM-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000130839932 529760358 /nfs/dbraw/zinc/76/03/58/529760358.db2.gz CIFUTUQJOZSOKM-OAHLLOKOSA-N 1 1 343.387 3.223 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000353443946 141296711 /nfs/dbraw/zinc/29/67/11/141296711.db2.gz FCIGWXMOGDRVDA-INIZCTEOSA-N 1 1 342.424 3.312 10 5 EGBEMO CCCCN(C)C(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054255639 142583851 /nfs/dbraw/zinc/58/38/51/142583851.db2.gz QZOVOPIHHMVWKN-UHFFFAOYSA-N 1 1 339.461 3.127 10 5 EGBEMO Cn1nccc1C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116275260 152054569 /nfs/dbraw/zinc/05/45/69/152054569.db2.gz YVTXAAQXATVDEC-UHFFFAOYSA-N 1 1 334.807 3.361 10 5 EGBEMO COc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000189950027 153106356 /nfs/dbraw/zinc/10/63/56/153106356.db2.gz DPQQFFMJHBWGGW-UHFFFAOYSA-N 1 1 348.428 3.136 10 5 EGBEMO COc1cc(C[N@@H+](C)Cc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000344096358 164102069 /nfs/dbraw/zinc/10/20/69/164102069.db2.gz BGWAXKKUFVUUEX-UHFFFAOYSA-N 1 1 329.400 3.301 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373971904 287145089 /nfs/dbraw/zinc/14/50/89/287145089.db2.gz KLSXZOVOWTUSBC-LDDOYCOJSA-N 1 1 334.416 3.314 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000373971904 287145090 /nfs/dbraw/zinc/14/50/90/287145090.db2.gz KLSXZOVOWTUSBC-LDDOYCOJSA-N 1 1 334.416 3.314 10 5 EGBEMO CCC[N@@H+](CC)CCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176403967 265176396 /nfs/dbraw/zinc/17/63/96/265176396.db2.gz AJQRVACDYPMEOJ-INIZCTEOSA-N 1 1 336.436 3.077 10 5 EGBEMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570712 276017896 /nfs/dbraw/zinc/01/78/96/276017896.db2.gz POPWHXZFOKIQQU-HZMBPMFUSA-N 1 1 346.305 3.083 10 5 EGBEMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570712 276017899 /nfs/dbraw/zinc/01/78/99/276017899.db2.gz POPWHXZFOKIQQU-HZMBPMFUSA-N 1 1 346.305 3.083 10 5 EGBEMO CC(C)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000187473608 276048891 /nfs/dbraw/zinc/04/88/91/276048891.db2.gz SHLSEKVPQJYQSL-HNNXBMFYSA-N 1 1 331.416 3.029 10 5 EGBEMO CC(C)c1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000187473608 276048892 /nfs/dbraw/zinc/04/88/92/276048892.db2.gz SHLSEKVPQJYQSL-HNNXBMFYSA-N 1 1 331.416 3.029 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000289723535 276383711 /nfs/dbraw/zinc/38/37/11/276383711.db2.gz IJYQFVUXLLVAIY-DYVFJYSZSA-N 1 1 348.447 3.351 10 5 EGBEMO CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])OCCCO1 ZINC000290997381 276571986 /nfs/dbraw/zinc/57/19/86/276571986.db2.gz AONVLVAQNDNBKE-UHFFFAOYSA-N 1 1 335.187 3.144 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1ccccc1 ZINC000362659843 277173685 /nfs/dbraw/zinc/17/36/85/277173685.db2.gz XYZQDYGZMNWOTG-RDJZCZTQSA-N 1 1 337.383 3.328 10 5 EGBEMO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414933858 309110024 /nfs/dbraw/zinc/11/00/24/309110024.db2.gz DTIRINZGDASDLS-DOMZBBRYSA-N 1 1 331.441 3.411 10 5 EGBEMO COc1cc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)ccc1[N+](=O)[O-] ZINC000451380086 310175208 /nfs/dbraw/zinc/17/52/08/310175208.db2.gz XCYJYUAMDNGWMC-UHFFFAOYSA-N 1 1 345.399 3.256 10 5 EGBEMO CCC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560842 310186419 /nfs/dbraw/zinc/18/64/19/310186419.db2.gz IJBRZMZBGJXRJI-HNNXBMFYSA-N 1 1 333.432 3.079 10 5 EGBEMO CCC(C)(C)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560842 310186420 /nfs/dbraw/zinc/18/64/20/310186420.db2.gz IJBRZMZBGJXRJI-HNNXBMFYSA-N 1 1 333.432 3.079 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451866426 310201137 /nfs/dbraw/zinc/20/11/37/310201137.db2.gz BJGGELKWBUVECE-OLZOCXBDSA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451866426 310201138 /nfs/dbraw/zinc/20/11/38/310201138.db2.gz 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CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000579805336 325160871 /nfs/dbraw/zinc/16/08/71/325160871.db2.gz KNNQSNKGOYLUSV-QGZVFWFLSA-N 1 1 334.416 3.261 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000426798766 457905258 /nfs/dbraw/zinc/90/52/58/457905258.db2.gz JFGCCUMRQKDYPB-NSHDSACASA-N 1 1 327.812 3.015 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCCOc1ccccc1)CC2 ZINC000088607565 454115950 /nfs/dbraw/zinc/11/59/50/454115950.db2.gz CGNQEOUSGYYDCG-UHFFFAOYSA-N 1 1 342.395 3.049 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCCOc1ccccc1)CC2 ZINC000088607565 454115955 /nfs/dbraw/zinc/11/59/55/454115955.db2.gz CGNQEOUSGYYDCG-UHFFFAOYSA-N 1 1 342.395 3.049 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000060889717 454318658 /nfs/dbraw/zinc/31/86/58/454318658.db2.gz OHLMTNIAHJQJBP-ZDUSSCGKSA-N 1 1 349.431 3.443 10 5 EGBEMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)nc1 ZINC000065201826 454537996 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3.251 10 5 EGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176766018 454780152 /nfs/dbraw/zinc/78/01/52/454780152.db2.gz MHISIMPCJDYDNL-OAHLLOKOSA-N 1 1 343.387 3.105 10 5 EGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000177212917 454838330 /nfs/dbraw/zinc/83/83/30/454838330.db2.gz PMVQJIKSJSKYGS-CYBMUJFWSA-N 1 1 348.790 3.058 10 5 EGBEMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCCO1 ZINC000127985572 455015642 /nfs/dbraw/zinc/01/56/42/455015642.db2.gz GQOPROIDVBODJE-HNNXBMFYSA-N 1 1 333.413 3.329 10 5 EGBEMO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCCO1 ZINC000127985572 455015644 /nfs/dbraw/zinc/01/56/44/455015644.db2.gz GQOPROIDVBODJE-HNNXBMFYSA-N 1 1 333.413 3.329 10 5 EGBEMO Cn1nccc1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172177517 455132801 /nfs/dbraw/zinc/13/28/01/455132801.db2.gz POMWBUUWLODCJH-UHFFFAOYSA-N 1 1 334.807 3.361 10 5 EGBEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184673110 455424583 /nfs/dbraw/zinc/42/45/83/455424583.db2.gz JSFXEPIQQPOEKE-DIOBLVDRSA-N 1 1 343.427 3.083 10 5 EGBEMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 ZINC000182285191 455480612 /nfs/dbraw/zinc/48/06/12/455480612.db2.gz DTDIOBAMOSVRKK-JTQLQIEISA-N 1 1 341.323 3.316 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235689 455576838 /nfs/dbraw/zinc/57/68/38/455576838.db2.gz SMPYPVLCMPJDRU-SWLSCSKDSA-N 1 1 325.840 3.410 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247275482 455581606 /nfs/dbraw/zinc/58/16/06/455581606.db2.gz FRMINEZHGVXYSO-XHDPSFHLSA-N 1 1 339.823 3.051 10 5 EGBEMO Cc1noc(C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277658061 455625989 /nfs/dbraw/zinc/62/59/89/455625989.db2.gz NODHYGQBMJJYFX-AWEZNQCLSA-N 1 1 344.396 3.421 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248832769 455733248 /nfs/dbraw/zinc/73/32/48/455733248.db2.gz MSEFHJACZFAZOS-QAPCUYQASA-N 1 1 339.395 3.078 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000248890737 455737402 /nfs/dbraw/zinc/73/74/02/455737402.db2.gz SPMSRFWLEPXQGL-DNVCBOLYSA-N 1 1 344.411 3.165 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000301455752 456119980 /nfs/dbraw/zinc/11/99/80/456119980.db2.gz BTFBQDHUXKYEPV-ZDUSSCGKSA-N 1 1 337.395 3.419 10 5 EGBEMO Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000301459517 456122185 /nfs/dbraw/zinc/12/21/85/456122185.db2.gz YNTJTMBBOXBPSF-UHFFFAOYSA-N 1 1 341.411 3.348 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301857061 456233478 /nfs/dbraw/zinc/23/34/78/456233478.db2.gz ZLUWTGOIQQFXBR-WBVHZDCISA-N 1 1 342.355 3.360 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000301927821 456253150 /nfs/dbraw/zinc/25/31/50/456253150.db2.gz KNMHYMJBVDBMKK-RYUDHWBXSA-N 1 1 325.384 3.275 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301967903 456260762 /nfs/dbraw/zinc/26/07/62/456260762.db2.gz XCQHBWXENIPALS-YPMHNXCESA-N 1 1 341.358 3.259 10 5 EGBEMO C[C@@H]1C[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000302028734 456271856 /nfs/dbraw/zinc/27/18/56/456271856.db2.gz JCGACFZYHDAAGJ-RHSMWYFYSA-N 1 1 341.411 3.162 10 5 EGBEMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352778449 456298971 /nfs/dbraw/zinc/29/89/71/456298971.db2.gz KYJSAXIEGNWLMK-GOSISDBHSA-N 1 1 341.411 3.092 10 5 EGBEMO C[C@@]1(CNc2ncccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000302414888 456340624 /nfs/dbraw/zinc/34/06/24/456340624.db2.gz LZTTYQMHYRXGKO-SFHVURJKSA-N 1 1 326.400 3.456 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]4COCC[C@@H]43)co2)cc1 ZINC000340691996 456629021 /nfs/dbraw/zinc/62/90/21/456629021.db2.gz PHIDOZFMDBQPKR-YOEHRIQHSA-N 1 1 343.383 3.251 10 5 EGBEMO Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301226210 456826595 /nfs/dbraw/zinc/82/65/95/456826595.db2.gz GPONNADGCAUPLB-CYBMUJFWSA-N 1 1 341.415 3.255 10 5 EGBEMO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000349344258 456947601 /nfs/dbraw/zinc/94/76/01/456947601.db2.gz RLYRBPJVZXIIEY-BXUZGUMPSA-N 1 1 336.413 3.439 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000361013226 457511818 /nfs/dbraw/zinc/51/18/18/457511818.db2.gz RRCQQCBUJZFBOU-LBPRGKRZSA-N 1 1 332.791 3.418 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000361013226 457511821 /nfs/dbraw/zinc/51/18/21/457511821.db2.gz RRCQQCBUJZFBOU-LBPRGKRZSA-N 1 1 332.791 3.418 10 5 EGBEMO Cc1c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)cccc1[N+](=O)[O-] ZINC000364775923 457691036 /nfs/dbraw/zinc/69/10/36/457691036.db2.gz YXGCMIXVGZCKDU-GFCCVEGCSA-N 1 1 342.399 3.493 10 5 EGBEMO CC[C@@H](NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358164041 457828083 /nfs/dbraw/zinc/82/80/83/457828083.db2.gz MMLGZUZJUHLYAU-CZUORRHYSA-N 1 1 336.436 3.074 10 5 EGBEMO Cc1cc(C)cc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000444690729 457940850 /nfs/dbraw/zinc/94/08/50/457940850.db2.gz AUIRMUFZKXPEKQ-UHFFFAOYSA-N 1 1 327.384 3.282 10 5 EGBEMO Cc1cc(C)cc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000444690729 457940864 /nfs/dbraw/zinc/94/08/64/457940864.db2.gz AUIRMUFZKXPEKQ-UHFFFAOYSA-N 1 1 327.384 3.282 10 5 EGBEMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC(C)(C)C1 ZINC000412045972 458063997 /nfs/dbraw/zinc/06/39/97/458063997.db2.gz ZWNAYMSVTYUDNF-UHFFFAOYSA-N 1 1 349.431 3.443 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000369368960 458192252 /nfs/dbraw/zinc/19/22/52/458192252.db2.gz DGXZYSNIKGJYMW-GFCCVEGCSA-N 1 1 332.791 3.418 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000369368960 458192257 /nfs/dbraw/zinc/19/22/57/458192257.db2.gz DGXZYSNIKGJYMW-GFCCVEGCSA-N 1 1 332.791 3.418 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000495261509 458821921 /nfs/dbraw/zinc/82/19/21/458821921.db2.gz YMHYBPQNLCFZNV-KSSFIOAISA-N 1 1 336.432 3.365 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457171039 458889066 /nfs/dbraw/zinc/88/90/66/458889066.db2.gz RJKJBWZJFNINDB-UHFFFAOYSA-N 1 1 339.823 3.161 10 5 EGBEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000590692434 459185146 /nfs/dbraw/zinc/18/51/46/459185146.db2.gz VLCKQSQZGHUYRE-OAHLLOKOSA-N 1 1 326.400 3.091 10 5 EGBEMO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000595685849 459396039 /nfs/dbraw/zinc/39/60/39/459396039.db2.gz IHERWGYLFNSTGO-KRWDZBQOSA-N 1 1 345.374 3.320 10 5 EGBEMO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F ZINC000595685850 459396176 /nfs/dbraw/zinc/39/61/76/459396176.db2.gz IHERWGYLFNSTGO-QGZVFWFLSA-N 1 1 345.374 3.320 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000595732732 459417487 /nfs/dbraw/zinc/41/74/87/459417487.db2.gz HXVFLBCGDAWTKV-BBWFWOEESA-N 1 1 332.400 3.149 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755734 459427638 /nfs/dbraw/zinc/42/76/38/459427638.db2.gz PDDABGTZFQRYIN-AWEZNQCLSA-N 1 1 337.395 3.303 10 5 EGBEMO CCOc1cc(C[NH+]2CCC(c3ccon3)CC2)ccc1[N+](=O)[O-] ZINC000595827146 459454808 /nfs/dbraw/zinc/45/48/08/459454808.db2.gz AYPFSVQGJPATLV-UHFFFAOYSA-N 1 1 331.372 3.361 10 5 EGBEMO O=[N+]([O-])c1cccc(CN(Cc2cccc3c2CC[NH2+]C3)C2CC2)c1 ZINC000595894180 459477869 /nfs/dbraw/zinc/47/78/69/459477869.db2.gz VFBHEQUOAVMPGC-UHFFFAOYSA-N 1 1 337.423 3.405 10 5 EGBEMO COCCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130332 459530120 /nfs/dbraw/zinc/53/01/20/459530120.db2.gz CFUQWGNUKHGCTB-QAQDUYKDSA-N 1 1 336.432 3.127 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000592197677 459547543 /nfs/dbraw/zinc/54/75/43/459547543.db2.gz HFDGSRXMWGWNRM-MRXNPFEDSA-N 1 1 347.415 3.197 10 5 EGBEMO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000596258195 459576900 /nfs/dbraw/zinc/57/69/00/459576900.db2.gz XABQAAUSFZJJKH-FGWVZKOKSA-N 1 1 325.796 3.294 10 5 EGBEMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CC=CCC1 ZINC000543173106 459630641 /nfs/dbraw/zinc/63/06/41/459630641.db2.gz MXLMLDJPFXJECC-ZDUSSCGKSA-N 1 1 328.372 3.433 10 5 EGBEMO Cc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c(F)cc1[N+](=O)[O-] ZINC000596513634 459663036 /nfs/dbraw/zinc/66/30/36/459663036.db2.gz AOJWUIUWTHWWGF-IAGOWNOFSA-N 1 1 349.406 3.098 10 5 EGBEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000592799252 459692105 /nfs/dbraw/zinc/69/21/05/459692105.db2.gz ZWFSPZCZWWHBCY-AWEZNQCLSA-N 1 1 344.415 3.006 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@H+](C)CC(C)C ZINC000593204073 459807886 /nfs/dbraw/zinc/80/78/86/459807886.db2.gz RNFNBSBRVVYKSZ-UHFFFAOYSA-N 1 1 335.448 3.228 10 5 EGBEMO Cn1ncc(C2CCC2)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000597122608 459844225 /nfs/dbraw/zinc/84/42/25/459844225.db2.gz ZYZRHLKIURVBEM-UHFFFAOYSA-N 1 1 328.416 3.270 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cnn4c3CCC4)C2)cc1 ZINC000597137347 459850526 /nfs/dbraw/zinc/85/05/26/459850526.db2.gz FWFHKUYCJPSNGM-HNNXBMFYSA-N 1 1 326.400 3.117 10 5 EGBEMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000597212617 459878814 /nfs/dbraw/zinc/87/88/14/459878814.db2.gz VXFQSFRKIACOAJ-RDTXWAMCSA-N 1 1 328.368 3.323 10 5 EGBEMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000597212614 459879651 /nfs/dbraw/zinc/87/96/51/459879651.db2.gz VXFQSFRKIACOAJ-KBXCAEBGSA-N 1 1 328.368 3.323 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)nccc2NCCc1cn2c([nH+]1)CCCC2 ZINC000593457208 459894215 /nfs/dbraw/zinc/89/42/15/459894215.db2.gz JBMJGFRUZFMMQO-UHFFFAOYSA-N 1 1 337.383 3.330 10 5 EGBEMO Cn1ncc2c1CC(C)(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597258780 459898576 /nfs/dbraw/zinc/89/85/76/459898576.db2.gz RQVCLQPFWLZYNP-VURMDHGXSA-N 1 1 340.427 3.426 10 5 EGBEMO COc1ccccc1CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000609194967 459921683 /nfs/dbraw/zinc/92/16/83/459921683.db2.gz VHLJDAVBKBWDCG-UHFFFAOYSA-N 1 1 330.384 3.157 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000589511192 460096572 /nfs/dbraw/zinc/09/65/72/460096572.db2.gz AKRSXUUKEBZWDB-LLVKDONJSA-N 1 1 349.412 3.073 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC4(CC4)CC3)n2)cc1 ZINC000599673489 460305201 /nfs/dbraw/zinc/30/52/01/460305201.db2.gz QPKHUPGNONJHNM-UHFFFAOYSA-N 1 1 328.372 3.411 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599772659 460331263 /nfs/dbraw/zinc/33/12/63/460331263.db2.gz CHMUWJXKCFKXGF-OAHLLOKOSA-N 1 1 346.431 3.350 10 5 EGBEMO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1c(C)nn(C)c1C ZINC000347912913 535806299 /nfs/dbraw/zinc/80/62/99/535806299.db2.gz MVRLOIGJUJWXJC-CYBMUJFWSA-N 1 1 343.387 3.327 10 5 EGBEMO CC[N@H+]1CCCC[C@H]1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000732050375 575234085 /nfs/dbraw/zinc/23/40/85/575234085.db2.gz OKFGRTALHDENHC-HQPKTYMTSA-N 1 1 347.415 3.067 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000732214377 575246082 /nfs/dbraw/zinc/24/60/82/575246082.db2.gz QFHNPOMJWDKDJI-OAHLLOKOSA-N 1 1 343.402 3.440 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)ccc1Oc1ccc(F)cc1 ZINC000895647702 1309447261 /nfs/dbraw/zinc/44/72/61/1309447261.db2.gz LHGVDDJROFNSGA-UGSOOPFHSA-N 1 1 344.342 3.093 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)ccc1Oc1ccc(F)cc1 ZINC000895647702 1309447263 /nfs/dbraw/zinc/44/72/63/1309447263.db2.gz LHGVDDJROFNSGA-UGSOOPFHSA-N 1 1 344.342 3.093 10 5 EGBEMO CC(C)c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000895848250 1309557972 /nfs/dbraw/zinc/55/79/72/1309557972.db2.gz YYLQWZCTXIZKIR-OAHLLOKOSA-N 1 1 346.349 3.465 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000895848250 1309557977 /nfs/dbraw/zinc/55/79/77/1309557977.db2.gz YYLQWZCTXIZKIR-OAHLLOKOSA-N 1 1 346.349 3.465 10 5 EGBEMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000859719455 1329062665 /nfs/dbraw/zinc/06/26/65/1329062665.db2.gz KMTSCXWGSCWGRR-CQSZACIVSA-N 1 1 341.411 3.162 10 5 EGBEMO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924840191 1323183811 /nfs/dbraw/zinc/18/38/11/1323183811.db2.gz BIKOUANSYQRVLA-ZDUSSCGKSA-N 1 1 331.372 3.248 10 5 EGBEMO C[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000927026788 1327826044 /nfs/dbraw/zinc/82/60/44/1327826044.db2.gz GRGVEDQMAXMISM-XNRPHZJLSA-N 1 1 346.456 3.291 10 5 EGBEMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861915231 1329450019 /nfs/dbraw/zinc/45/00/19/1329450019.db2.gz DQIWGFMKHDYEKF-HNNXBMFYSA-N 1 1 341.411 3.304 10 5 EGBEMO Cc1nn(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c2cc([N+](=O)[O-])ccc12 ZINC000863294462 1329544323 /nfs/dbraw/zinc/54/43/23/1329544323.db2.gz DEKBECOIKLPZRN-KGLIPLIRSA-N 1 1 332.429 3.180 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)c2)cc1 ZINC000863294451 1329544493 /nfs/dbraw/zinc/54/44/93/1329544493.db2.gz CUQQHLLJUFDJEK-SJORKVTESA-N 1 1 344.440 3.386 10 5 EGBEMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000866194310 1330076442 /nfs/dbraw/zinc/07/64/42/1330076442.db2.gz HUULTYHDSQZXJD-GOSISDBHSA-N 1 1 327.384 3.340 10 5 EGBEMO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000866194310 1330076445 /nfs/dbraw/zinc/07/64/45/1330076445.db2.gz HUULTYHDSQZXJD-GOSISDBHSA-N 1 1 327.384 3.340 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001118430971 1371181422 /nfs/dbraw/zinc/18/14/22/1371181422.db2.gz LDVUBVCMPQNAHJ-UGWHAMFMSA-N 1 1 348.353 3.195 10 5 EGBEMO C[NH+](C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001124341068 1372693097 /nfs/dbraw/zinc/69/30/97/1372693097.db2.gz ZSCPAUHFFYWNJH-HNNXBMFYSA-N 1 1 333.775 3.490 10 5 EGBEMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001134765556 1376708976 /nfs/dbraw/zinc/70/89/76/1376708976.db2.gz STWVWYYEUHLLKS-ZDUSSCGKSA-N 1 1 333.413 3.024 10 5 EGBEMO CC[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1)c1cccc([N+](=O)[O-])c1 ZINC001137927969 1377646584 /nfs/dbraw/zinc/64/65/84/1377646584.db2.gz ZFXJDHFZXGGUNR-DNMXQMFDSA-N 1 1 345.443 3.283 10 5 EGBEMO O=[N+]([O-])c1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cs1 ZINC001307864181 1384044845 /nfs/dbraw/zinc/04/48/45/1384044845.db2.gz QKIMXTMRAJOZGX-SJORKVTESA-N 1 1 343.452 3.363 10 5 EGBEMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001308155463 1384102172 /nfs/dbraw/zinc/10/21/72/1384102172.db2.gz DNAQMJCSPLVSKD-LDDOYCOJSA-N 1 1 348.443 3.435 10 5 EGBEMO C[N@H+]1C[C@@]23CN(Cc4ccc([N+](=O)[O-])c(F)c4)C[C@]2(C1)CCCC3 ZINC001308170293 1384105184 /nfs/dbraw/zinc/10/51/84/1384105184.db2.gz KROHUGYQSCBQMU-HDICACEKSA-N 1 1 333.407 3.042 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC001170425882 1384315842 /nfs/dbraw/zinc/31/58/42/1384315842.db2.gz UKABFSLORUJFHA-AWEZNQCLSA-N 1 1 342.355 3.278 10 5 EGBEMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC001175193390 1385216536 /nfs/dbraw/zinc/21/65/36/1385216536.db2.gz CIQNFAWGJYSIKO-RTBURBONSA-N 1 1 342.395 3.172 10 5 EGBEMO O=C(C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001175436558 1385288708 /nfs/dbraw/zinc/28/87/08/1385288708.db2.gz MEJAPLXBIQJAFF-TXEJJXNPSA-N 1 1 335.791 3.085 10 5 EGBEMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001319400826 1386104346 /nfs/dbraw/zinc/10/43/46/1386104346.db2.gz UYLRGHFJYUUFKK-KUHUBIRLSA-N 1 1 344.411 3.200 10 5 EGBEMO Cc1cc(C)c(CSCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC001330305804 1389383544 /nfs/dbraw/zinc/38/35/44/1389383544.db2.gz GWWXGJVDMODUBC-UHFFFAOYSA-N 1 1 345.424 3.447 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)o1 ZINC001347457065 1391078088 /nfs/dbraw/zinc/07/80/88/1391078088.db2.gz VRWRWOSCGOBDDF-APPDUMDISA-N 1 1 348.786 3.465 10 5 EGBEMO CC(C)C(=O)NCCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001495504756 1396540631 /nfs/dbraw/zinc/54/06/31/1396540631.db2.gz NHZOFWODIYQVOZ-UHFFFAOYSA-N 1 1 339.461 3.031 10 5 EGBEMO C[N@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690962820 1404869734 /nfs/dbraw/zinc/86/97/34/1404869734.db2.gz AQXIRWNBGSQZLM-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO C[N@@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690962820 1404869741 /nfs/dbraw/zinc/86/97/41/1404869741.db2.gz AQXIRWNBGSQZLM-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C)CCCC1 ZINC001732581266 1428788343 /nfs/dbraw/zinc/78/83/43/1428788343.db2.gz VKJJBQHONYVVPW-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C)CCCC1 ZINC001732581266 1428788348 /nfs/dbraw/zinc/78/83/48/1428788348.db2.gz VKJJBQHONYVVPW-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO O=C(NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC001714662163 1419448301 /nfs/dbraw/zinc/44/83/01/1419448301.db2.gz FGKJSRGONZIMRK-UHFFFAOYSA-N 1 1 345.424 3.051 10 5 EGBEMO O=C(NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC001714662163 1419448303 /nfs/dbraw/zinc/44/83/03/1419448303.db2.gz FGKJSRGONZIMRK-UHFFFAOYSA-N 1 1 345.424 3.051 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC(C)(C)C1 ZINC001724850357 1425212295 /nfs/dbraw/zinc/21/22/95/1425212295.db2.gz AFRMCEJORJULPF-UHFFFAOYSA-N 1 1 347.459 3.311 10 5 EGBEMO C[N@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1csc([N+](=O)[O-])c1 ZINC001731239564 1427196896 /nfs/dbraw/zinc/19/68/96/1427196896.db2.gz XYFREXGLIACYJB-UHFFFAOYSA-N 1 1 339.461 3.031 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1csc([N+](=O)[O-])c1 ZINC001731239564 1427196897 /nfs/dbraw/zinc/19/68/97/1427196897.db2.gz XYFREXGLIACYJB-UHFFFAOYSA-N 1 1 339.461 3.031 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC001731300133 1427243190 /nfs/dbraw/zinc/24/31/90/1427243190.db2.gz QFZIWJULOJFFTI-UHFFFAOYSA-N 1 1 341.411 3.237 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1=CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001731305141 1427246825 /nfs/dbraw/zinc/24/68/25/1427246825.db2.gz KDWYUSAUJKWONL-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO C[N@H+](CCNC(=O)C1(C)C(C)(C)C1(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001731796786 1427950703 /nfs/dbraw/zinc/95/07/03/1427950703.db2.gz QMMDDSXNSAMKTR-UHFFFAOYSA-N 1 1 347.459 3.215 10 5 EGBEMO C[N@@H+](CCNC(=O)C1(C)C(C)(C)C1(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001731796786 1427950705 /nfs/dbraw/zinc/95/07/05/1427950705.db2.gz QMMDDSXNSAMKTR-UHFFFAOYSA-N 1 1 347.459 3.215 10 5 EGBEMO CN(CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C1=CCCC1 ZINC001733772745 1430008846 /nfs/dbraw/zinc/00/88/46/1430008846.db2.gz XDMFGZGHXLBINR-UHFFFAOYSA-N 1 1 337.445 3.047 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C1=CCCC1 ZINC001733772745 1430008850 /nfs/dbraw/zinc/00/88/50/1430008850.db2.gz XDMFGZGHXLBINR-UHFFFAOYSA-N 1 1 337.445 3.047 10 5 EGBEMO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000174747593 231297747 /nfs/dbraw/zinc/29/77/47/231297747.db2.gz FADFIBVWDQQAOV-CVEARBPZSA-N 1 1 346.431 3.382 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000183348389 235021032 /nfs/dbraw/zinc/02/10/32/235021032.db2.gz FTKANXIYYAYFAN-MRXNPFEDSA-N 1 1 340.427 3.177 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247060449 243362668 /nfs/dbraw/zinc/36/26/68/243362668.db2.gz OAKDVZVVIQJQRR-GDBMZVCRSA-N 1 1 348.447 3.090 10 5 EGBEMO Cn1nccc1C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153671575 224139107 /nfs/dbraw/zinc/13/91/07/224139107.db2.gz FWRSEDJCXIUBHY-UHFFFAOYSA-N 1 1 334.807 3.361 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183833274 144080689 /nfs/dbraw/zinc/08/06/89/144080689.db2.gz LMDCLWRNJOWIRZ-UHFFFAOYSA-N 1 1 346.818 3.356 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183833274 144080691 /nfs/dbraw/zinc/08/06/91/144080691.db2.gz LMDCLWRNJOWIRZ-UHFFFAOYSA-N 1 1 346.818 3.356 10 5 EGBEMO COc1cc(C[N@@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184262461 144089628 /nfs/dbraw/zinc/08/96/28/144089628.db2.gz CVRGYUCDYZJRAW-UHFFFAOYSA-N 1 1 326.368 3.132 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000351767416 144303662 /nfs/dbraw/zinc/30/36/62/144303662.db2.gz VIKPGJWUJUXLRL-VXGBXAGGSA-N 1 1 326.343 3.122 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000351767416 144303664 /nfs/dbraw/zinc/30/36/64/144303664.db2.gz VIKPGJWUJUXLRL-VXGBXAGGSA-N 1 1 326.343 3.122 10 5 EGBEMO Cc1c(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000109814127 162111679 /nfs/dbraw/zinc/11/16/79/162111679.db2.gz SKTOCVZHGQQCIC-SFHVURJKSA-N 1 1 339.395 3.141 10 5 EGBEMO Cc1c(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000109814127 162111681 /nfs/dbraw/zinc/11/16/81/162111681.db2.gz SKTOCVZHGQQCIC-SFHVURJKSA-N 1 1 339.395 3.141 10 5 EGBEMO CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349870259 164963592 /nfs/dbraw/zinc/96/35/92/164963592.db2.gz BIUNCYQLCRBILO-INIZCTEOSA-N 1 1 331.441 3.363 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352108657 165240078 /nfs/dbraw/zinc/24/00/78/165240078.db2.gz YMAYDYMKKDUZII-PKOBYXMFSA-N 1 1 341.411 3.138 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352108657 165240082 /nfs/dbraw/zinc/24/00/82/165240082.db2.gz YMAYDYMKKDUZII-PKOBYXMFSA-N 1 1 341.411 3.138 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ncccc1O ZINC000355283292 166153490 /nfs/dbraw/zinc/15/34/90/166153490.db2.gz QWCYKMNJVARGBB-HIFRSBDPSA-N 1 1 327.384 3.196 10 5 EGBEMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000367572376 168243967 /nfs/dbraw/zinc/24/39/67/168243967.db2.gz DPIYWFKHDPQRKJ-QAPCUYQASA-N 1 1 341.411 3.230 10 5 EGBEMO COc1cc(C[N@@H+](C)CC2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000122915125 222182175 /nfs/dbraw/zinc/18/21/75/222182175.db2.gz PMZRINDWVFVFDA-UHFFFAOYSA-N 1 1 348.321 3.386 10 5 EGBEMO CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176191395 265161943 /nfs/dbraw/zinc/16/19/43/265161943.db2.gz OMVZUUDRRLNYGO-DLBZAZTESA-N 1 1 348.447 3.220 10 5 EGBEMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092588641 275154716 /nfs/dbraw/zinc/15/47/16/275154716.db2.gz SXIJCULYYVOJFX-ZDUSSCGKSA-N 1 1 343.383 3.085 10 5 EGBEMO CCOCC[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000255144655 308042268 /nfs/dbraw/zinc/04/22/68/308042268.db2.gz LRIXPKVNFYTEIE-YPLUBFQTSA-N 1 1 347.459 3.041 10 5 EGBEMO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245487 308113313 /nfs/dbraw/zinc/11/33/13/308113313.db2.gz BGIWPGRNDSUNFB-ZJUUUORDSA-N 1 1 330.331 3.088 10 5 EGBEMO COc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245487 308113315 /nfs/dbraw/zinc/11/33/15/308113315.db2.gz BGIWPGRNDSUNFB-ZJUUUORDSA-N 1 1 330.331 3.088 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000414543622 309087776 /nfs/dbraw/zinc/08/77/76/309087776.db2.gz BQXAMEXLUPKZRI-YBEGLDIGSA-N 1 1 338.407 3.244 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295742208 308355606 /nfs/dbraw/zinc/35/56/06/308355606.db2.gz WRFZKGIQXGJZFS-KGLIPLIRSA-N 1 1 333.432 3.269 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000449303611 310051905 /nfs/dbraw/zinc/05/19/05/310051905.db2.gz XHXBWZCRBYVELX-UKRRQHHQSA-N 1 1 342.399 3.356 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CCCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449349800 310055854 /nfs/dbraw/zinc/05/58/54/310055854.db2.gz HZWVDUKFHRIJGV-CQSZACIVSA-N 1 1 338.358 3.443 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449429297 310061422 /nfs/dbraw/zinc/06/14/22/310061422.db2.gz ASWXASQMDLAHAF-NUJGCVRESA-N 1 1 348.443 3.080 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000449742942 310083719 /nfs/dbraw/zinc/08/37/19/310083719.db2.gz SMVVKMOZCFYUDA-BHYGNILZSA-N 1 1 326.400 3.053 10 5 EGBEMO CN(c1nccc2c1cccc2[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450524880 310128201 /nfs/dbraw/zinc/12/82/01/310128201.db2.gz PUEHLQJUFPCGNT-PBWFPOADSA-N 1 1 326.400 3.204 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccccc1OC1CC1)CC2 ZINC000450696429 310137959 /nfs/dbraw/zinc/13/79/59/310137959.db2.gz SNQHDELNDGREMW-UHFFFAOYSA-N 1 1 325.368 3.089 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccccc1OC1CC1)CC2 ZINC000450696429 310137960 /nfs/dbraw/zinc/13/79/60/310137960.db2.gz SNQHDELNDGREMW-UHFFFAOYSA-N 1 1 325.368 3.089 10 5 EGBEMO CN(C(=O)C[N@H+]1CCC[C@@H]1CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000488765956 311079242 /nfs/dbraw/zinc/07/92/42/311079242.db2.gz MTNQADAWLOBRLP-MRXNPFEDSA-N 1 1 333.432 3.458 10 5 EGBEMO C[N@H+]1CCC[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000516230663 312315709 /nfs/dbraw/zinc/31/57/09/312315709.db2.gz FKHMYPUSTBCBEE-BBRMVZONSA-N 1 1 326.400 3.064 10 5 EGBEMO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000540425696 314379951 /nfs/dbraw/zinc/37/99/51/314379951.db2.gz CAQOIMGYIMNUKM-GFCCVEGCSA-N 1 1 347.802 3.215 10 5 EGBEMO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000548334293 314995598 /nfs/dbraw/zinc/99/55/98/314995598.db2.gz XJLDTYNJQCTRGW-CYBMUJFWSA-N 1 1 342.399 3.130 10 5 EGBEMO C[C@H](O)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000572984960 317421059 /nfs/dbraw/zinc/42/10/59/317421059.db2.gz UCVHAPYQYXACBU-PBQZTSCYSA-N 1 1 330.359 3.433 10 5 EGBEMO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000185650164 323706169 /nfs/dbraw/zinc/70/61/69/323706169.db2.gz CCQMOFFWXFIYFF-UHFFFAOYSA-N 1 1 334.759 3.325 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)cc1[N+](=O)[O-] ZINC000579002370 325049646 /nfs/dbraw/zinc/04/96/46/325049646.db2.gz ZEFDFNVSUJZLKH-HNNXBMFYSA-N 1 1 327.384 3.296 10 5 EGBEMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311095 455276543 /nfs/dbraw/zinc/27/65/43/455276543.db2.gz BLGCCFAEFUJXME-RDJZCZTQSA-N 1 1 347.459 3.420 10 5 EGBEMO Cc1cccc(C[NH+]2CCN(Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000054153068 453913866 /nfs/dbraw/zinc/91/38/66/453913866.db2.gz MFHVXXLZTCRFGW-UHFFFAOYSA-N 1 1 331.441 3.283 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000093970185 454182040 /nfs/dbraw/zinc/18/20/40/454182040.db2.gz AWBKCGDLKLMIHX-AWEZNQCLSA-N 1 1 333.432 3.124 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/CN1CCC(C[NH+]2CCCC2)CC1 ZINC000134193824 454513730 /nfs/dbraw/zinc/51/37/30/454513730.db2.gz KFMXJTCFBPFIGK-FNORWQNLSA-N 1 1 329.444 3.416 10 5 EGBEMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000122262339 454516645 /nfs/dbraw/zinc/51/66/45/454516645.db2.gz DDWUYQGDSQDESC-AWEZNQCLSA-N 1 1 344.367 3.240 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000123457013 454639764 /nfs/dbraw/zinc/63/97/64/454639764.db2.gz GIWPNAPKQRCTGZ-AWEZNQCLSA-N 1 1 343.374 3.112 10 5 EGBEMO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](C)O ZINC000093143384 454688037 /nfs/dbraw/zinc/68/80/37/454688037.db2.gz SWTLROWUAJKDIU-GFCCVEGCSA-N 1 1 335.429 3.310 10 5 EGBEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000176185719 454709272 /nfs/dbraw/zinc/70/92/72/454709272.db2.gz QTEPXBJAPQBJCC-LLVKDONJSA-N 1 1 340.339 3.173 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177960663 454922762 /nfs/dbraw/zinc/92/27/62/454922762.db2.gz WYUPOKGWQJZAJV-KRWDZBQOSA-N 1 1 343.383 3.042 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000177960663 454922766 /nfs/dbraw/zinc/92/27/66/454922766.db2.gz WYUPOKGWQJZAJV-KRWDZBQOSA-N 1 1 343.383 3.042 10 5 EGBEMO O=C(CC[N@H+]1CCC[C@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128659525 455075815 /nfs/dbraw/zinc/07/58/15/455075815.db2.gz GCPCRYBLBVDGKF-HNNXBMFYSA-N 1 1 347.346 3.493 10 5 EGBEMO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245392596 455284221 /nfs/dbraw/zinc/28/42/21/455284221.db2.gz UJTAUMFQYNODGL-HUUCEWRRSA-N 1 1 333.432 3.140 10 5 EGBEMO CCOc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000181282982 455312727 /nfs/dbraw/zinc/31/27/27/455312727.db2.gz WHEQKRIITWLYEE-DZKIICNBSA-N 1 1 335.448 3.373 10 5 EGBEMO CCOc1ccc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000181282982 455312731 /nfs/dbraw/zinc/31/27/31/455312731.db2.gz WHEQKRIITWLYEE-DZKIICNBSA-N 1 1 335.448 3.373 10 5 EGBEMO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181746951 455377854 /nfs/dbraw/zinc/37/78/54/455377854.db2.gz RCDAIQPTLNHWQB-LLVKDONJSA-N 1 1 332.331 3.356 10 5 EGBEMO Cc1sc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182090955 455433448 /nfs/dbraw/zinc/43/34/48/455433448.db2.gz WBRHIPZANLKYFA-GFCCVEGCSA-N 1 1 347.440 3.215 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000246223706 455452131 /nfs/dbraw/zinc/45/21/31/455452131.db2.gz DSAJYAYKVBYTBF-QZTJIDSGSA-N 1 1 344.436 3.418 10 5 EGBEMO C[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266799898 455454622 /nfs/dbraw/zinc/45/46/22/455454622.db2.gz CTPKSVNIOSLVPD-NSHDSACASA-N 1 1 346.412 3.141 10 5 EGBEMO C[C@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266799898 455454626 /nfs/dbraw/zinc/45/46/26/455454626.db2.gz CTPKSVNIOSLVPD-NSHDSACASA-N 1 1 346.412 3.141 10 5 EGBEMO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246900390 455534338 /nfs/dbraw/zinc/53/43/38/455534338.db2.gz FQCYQTSIGAXQPY-LXZKKBNFSA-N 1 1 348.447 3.170 10 5 EGBEMO Cc1noc(C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000277658064 455625968 /nfs/dbraw/zinc/62/59/68/455625968.db2.gz NODHYGQBMJJYFX-CQSZACIVSA-N 1 1 344.396 3.421 10 5 EGBEMO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272577391 456000259 /nfs/dbraw/zinc/00/02/59/456000259.db2.gz NTVGNZZFNNRCNE-UHFFFAOYSA-N 1 1 341.367 3.149 10 5 EGBEMO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000221949292 456045080 /nfs/dbraw/zinc/04/50/80/456045080.db2.gz OYUDLQAAKLVWSD-HZPDHXFCSA-N 1 1 348.424 3.320 10 5 EGBEMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000221949292 456045083 /nfs/dbraw/zinc/04/50/83/456045083.db2.gz OYUDLQAAKLVWSD-HZPDHXFCSA-N 1 1 348.424 3.320 10 5 EGBEMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908888 456248519 /nfs/dbraw/zinc/24/85/19/456248519.db2.gz RMWRYWPZRQBMMD-RHSMWYFYSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908888 456248523 /nfs/dbraw/zinc/24/85/23/456248523.db2.gz RMWRYWPZRQBMMD-RHSMWYFYSA-N 1 1 348.353 3.434 10 5 EGBEMO C[C@H]1C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000302028736 456271819 /nfs/dbraw/zinc/27/18/19/456271819.db2.gz JCGACFZYHDAAGJ-YOEHRIQHSA-N 1 1 341.411 3.162 10 5 EGBEMO COc1cc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000352771674 456291942 /nfs/dbraw/zinc/29/19/42/456291942.db2.gz ZOWPGNNKFXDLIN-UHFFFAOYSA-N 1 1 344.411 3.377 10 5 EGBEMO CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340274085 456354612 /nfs/dbraw/zinc/35/46/12/456354612.db2.gz ANUANRQTZYNQSD-GOSISDBHSA-N 1 1 325.412 3.301 10 5 EGBEMO Cc1nc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000302630265 456367286 /nfs/dbraw/zinc/36/72/86/456367286.db2.gz GLFJLXDYMUQCJS-UHFFFAOYSA-N 1 1 346.818 3.422 10 5 EGBEMO Cc1nc(NCC[N@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000302630265 456367292 /nfs/dbraw/zinc/36/72/92/456367292.db2.gz GLFJLXDYMUQCJS-UHFFFAOYSA-N 1 1 346.818 3.422 10 5 EGBEMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282473708 456526249 /nfs/dbraw/zinc/52/62/49/456526249.db2.gz KWKBHZLWQDGMTB-CAGXHZNZSA-N 1 1 336.407 3.495 10 5 EGBEMO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353179363 456542751 /nfs/dbraw/zinc/54/27/51/456542751.db2.gz ZUZCOPHLDJPAKU-HNNXBMFYSA-N 1 1 333.432 3.380 10 5 EGBEMO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353179363 456542757 /nfs/dbraw/zinc/54/27/57/456542757.db2.gz ZUZCOPHLDJPAKU-HNNXBMFYSA-N 1 1 333.432 3.380 10 5 EGBEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000348250601 456569951 /nfs/dbraw/zinc/56/99/51/456569951.db2.gz UFDPOLKTATUVRG-NOZJJQNGSA-N 1 1 346.305 3.234 10 5 EGBEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000348250601 456569956 /nfs/dbraw/zinc/56/99/56/456569956.db2.gz UFDPOLKTATUVRG-NOZJJQNGSA-N 1 1 346.305 3.234 10 5 EGBEMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000343643653 456762286 /nfs/dbraw/zinc/76/22/86/456762286.db2.gz RGHZZEVXKRHOLY-ZDUSSCGKSA-N 1 1 339.823 3.161 10 5 EGBEMO CCC[N@@H+](C)C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291892217 456790700 /nfs/dbraw/zinc/79/07/00/456790700.db2.gz JNWLXENMHBVVFY-CQSZACIVSA-N 1 1 328.416 3.311 10 5 EGBEMO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617217 456805896 /nfs/dbraw/zinc/80/58/96/456805896.db2.gz CNLWPPQZFFVMEB-PIGZYNQJSA-N 1 1 326.400 3.187 10 5 EGBEMO CC(C)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000291976102 456818260 /nfs/dbraw/zinc/81/82/60/456818260.db2.gz VXIBYWXKVGWOPK-INIZCTEOSA-N 1 1 331.372 3.249 10 5 EGBEMO CC(C)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000291976102 456818266 /nfs/dbraw/zinc/81/82/66/456818266.db2.gz VXIBYWXKVGWOPK-INIZCTEOSA-N 1 1 331.372 3.249 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341469150 456866865 /nfs/dbraw/zinc/86/68/65/456866865.db2.gz XEOQFRXKSREIPR-OKILXGFUSA-N 1 1 334.420 3.288 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342318903 457234792 /nfs/dbraw/zinc/23/47/92/457234792.db2.gz BDJQBSQJNJLZPC-INIZCTEOSA-N 1 1 332.404 3.214 10 5 EGBEMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425430425 457551972 /nfs/dbraw/zinc/55/19/72/457551972.db2.gz FMTOYJUUPSZOGQ-CYBMUJFWSA-N 1 1 345.237 3.196 10 5 EGBEMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651714 457927193 /nfs/dbraw/zinc/92/71/93/457927193.db2.gz RSRFNYCAMPMAOL-GFCCVEGCSA-N 1 1 340.383 3.240 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)C[C@H]1C ZINC000412045182 458064606 /nfs/dbraw/zinc/06/46/06/458064606.db2.gz PKPBTGJWYKCESG-GFCCVEGCSA-N 1 1 335.404 3.052 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412059402 458075466 /nfs/dbraw/zinc/07/54/66/458075466.db2.gz XEKFGQGUWMHNNU-HOCLYGCPSA-N 1 1 331.416 3.133 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)s1 ZINC000428378716 458131416 /nfs/dbraw/zinc/13/14/16/458131416.db2.gz VCXBBKIQGIQNEJ-MRXNPFEDSA-N 1 1 330.409 3.280 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362447546 458182545 /nfs/dbraw/zinc/18/25/45/458182545.db2.gz LIGHGPZDBVGPOQ-WMLDXEAASA-N 1 1 334.416 3.383 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000473517001 458832545 /nfs/dbraw/zinc/83/25/45/458832545.db2.gz FUNLHZGOUPKZPR-XJKSGUPXSA-N 1 1 328.416 3.310 10 5 EGBEMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000441015752 458876869 /nfs/dbraw/zinc/87/68/69/458876869.db2.gz KZPVABCDEHLFTK-KUHUBIRLSA-N 1 1 326.396 3.461 10 5 EGBEMO Cc1[nH+]cn(CCCCc2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000594534221 459081652 /nfs/dbraw/zinc/08/16/52/459081652.db2.gz IWFQQGNTETXAFO-UHFFFAOYSA-N 1 1 341.371 3.481 10 5 EGBEMO C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591774 459101031 /nfs/dbraw/zinc/10/10/31/459101031.db2.gz KCIQKXNGFJYNNP-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595296469 459270591 /nfs/dbraw/zinc/27/05/91/459270591.db2.gz DLRYJYHKAXDVEA-CQSZACIVSA-N 1 1 331.372 3.107 10 5 EGBEMO COc1ccc(CC2CC[NH+](Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595305016 459272412 /nfs/dbraw/zinc/27/24/12/459272412.db2.gz QPDYSUHQWKHZAY-UHFFFAOYSA-N 1 1 345.399 3.355 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503933 459327472 /nfs/dbraw/zinc/32/74/72/459327472.db2.gz ZEJSYTZPFHAVOM-AWEZNQCLSA-N 1 1 327.384 3.378 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595749258 459424404 /nfs/dbraw/zinc/42/44/04/459424404.db2.gz JIWKTVWFMYBIFE-OAHLLOKOSA-N 1 1 344.333 3.351 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595749258 459424407 /nfs/dbraw/zinc/42/44/07/459424407.db2.gz JIWKTVWFMYBIFE-OAHLLOKOSA-N 1 1 344.333 3.351 10 5 EGBEMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755708 459426671 /nfs/dbraw/zinc/42/66/71/459426671.db2.gz OSRJBDMGFUDUPQ-KGLIPLIRSA-N 1 1 337.395 3.302 10 5 EGBEMO CCCN(C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000591976295 459501864 /nfs/dbraw/zinc/50/18/64/459501864.db2.gz QFXRWSHBRLLPKN-DLBZAZTESA-N 1 1 348.447 3.172 10 5 EGBEMO C[C@@H](c1ccccc1)[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697064 459625632 /nfs/dbraw/zinc/62/56/32/459625632.db2.gz XBXSURACEQRKPN-IFXJQAMLSA-N 1 1 326.396 3.118 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000499255803 459629777 /nfs/dbraw/zinc/62/97/77/459629777.db2.gz ZLOOTIDIBCOAHD-HZPDHXFCSA-N 1 1 336.432 3.222 10 5 EGBEMO COc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000596571744 459681442 /nfs/dbraw/zinc/68/14/42/459681442.db2.gz ZONNANWBCOKQCY-ZDUSSCGKSA-N 1 1 337.395 3.276 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593073047 459765137 /nfs/dbraw/zinc/76/51/37/459765137.db2.gz OHBFCPCNBSZAMV-UHFFFAOYSA-N 1 1 340.326 3.003 10 5 EGBEMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585754492 459841346 /nfs/dbraw/zinc/84/13/46/459841346.db2.gz PQSZBCPIPFOOIL-MRXNPFEDSA-N 1 1 344.411 3.202 10 5 EGBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976035 459897524 /nfs/dbraw/zinc/89/75/24/459897524.db2.gz LCKCROLGONQEED-DNVCBOLYSA-N 1 1 342.395 3.436 10 5 EGBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976035 459897530 /nfs/dbraw/zinc/89/75/30/459897530.db2.gz LCKCROLGONQEED-DNVCBOLYSA-N 1 1 342.395 3.436 10 5 EGBEMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC1(F)F ZINC000588232681 459935568 /nfs/dbraw/zinc/93/55/68/459935568.db2.gz VUXMPHWCKDBQRB-ZWNOBZJWSA-N 1 1 327.331 3.089 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC000589510869 460096586 /nfs/dbraw/zinc/09/65/86/460096586.db2.gz RFOOQHOOJJLXKM-YLQAJVPDSA-N 1 1 332.400 3.392 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000589516709 460098356 /nfs/dbraw/zinc/09/83/56/460098356.db2.gz SKKISHMZECXXRH-UHFFFAOYSA-N 1 1 342.351 3.264 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000589516709 460098361 /nfs/dbraw/zinc/09/83/61/460098361.db2.gz SKKISHMZECXXRH-UHFFFAOYSA-N 1 1 342.351 3.264 10 5 EGBEMO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000599061140 460145789 /nfs/dbraw/zinc/14/57/89/460145789.db2.gz OENWGNNAIMYJTC-VIFPVBQESA-N 1 1 328.294 3.198 10 5 EGBEMO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000599086839 460158413 /nfs/dbraw/zinc/15/84/13/460158413.db2.gz SQLVOKOJSPSMAD-ZDUSSCGKSA-N 1 1 326.400 3.064 10 5 EGBEMO CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610529764 460178045 /nfs/dbraw/zinc/17/80/45/460178045.db2.gz OGEKMNYHMRQVMX-YOEHRIQHSA-N 1 1 348.447 3.075 10 5 EGBEMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000599674335 460305819 /nfs/dbraw/zinc/30/58/19/460305819.db2.gz CYKSDLXSIPGEDS-GUYCJALGSA-N 1 1 328.372 3.409 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599676071 460306538 /nfs/dbraw/zinc/30/65/38/460306538.db2.gz XPQPMHWFQZKIKX-KSSFIOAISA-N 1 1 331.416 3.496 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601972714 460966789 /nfs/dbraw/zinc/96/67/89/460966789.db2.gz NLCULUPWMDFSCU-LMRWQKIVSA-N 1 1 326.343 3.354 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000363826976 536766454 /nfs/dbraw/zinc/76/64/54/536766454.db2.gz TYHWTOOPWCUROT-CQSZACIVSA-N 1 1 345.374 3.202 10 5 EGBEMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000732050378 575234147 /nfs/dbraw/zinc/23/41/47/575234147.db2.gz OKFGRTALHDENHC-TUPIDYKKSA-N 1 1 347.415 3.067 10 5 EGBEMO CC(C)(C)C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000734829040 575561889 /nfs/dbraw/zinc/56/18/89/575561889.db2.gz GFZQWXPDZYYBBZ-UHFFFAOYSA-N 1 1 333.388 3.218 10 5 EGBEMO Cc1cc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352881491 576111802 /nfs/dbraw/zinc/11/18/02/576111802.db2.gz DHWHPZAEFQXMHB-OKILXGFUSA-N 1 1 334.420 3.288 10 5 EGBEMO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000743479672 576810075 /nfs/dbraw/zinc/81/00/75/576810075.db2.gz LFSPASNFGYRLLI-WMLDXEAASA-N 1 1 339.395 3.359 10 5 EGBEMO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031871 1296680240 /nfs/dbraw/zinc/68/02/40/1296680240.db2.gz UWOLGXSXOLCFPK-CYBMUJFWSA-N 1 1 345.374 3.091 10 5 EGBEMO CC(C)[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000872045034 1296694768 /nfs/dbraw/zinc/69/47/68/1296694768.db2.gz HTARVIADXUOGNO-WBMJQRKESA-N 1 1 337.395 3.032 10 5 EGBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000882120577 1301838354 /nfs/dbraw/zinc/83/83/54/1301838354.db2.gz XMEQTCJXMXWNCL-ZBFHGGJFSA-N 1 1 343.427 3.251 10 5 EGBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000882395711 1301946461 /nfs/dbraw/zinc/94/64/61/1301946461.db2.gz XRWZTDRCITURTH-ZDUSSCGKSA-N 1 1 331.416 3.108 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3CF)C2)nc1 ZINC000929985288 1328757198 /nfs/dbraw/zinc/75/71/98/1328757198.db2.gz BBNRXGYWNSLECB-HNNXBMFYSA-N 1 1 330.363 3.146 10 5 EGBEMO CCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CC[N@@H+](CC)C1 ZINC000862179754 1329464317 /nfs/dbraw/zinc/46/43/17/1329464317.db2.gz VCBJUCWSYHHTMI-OAHLLOKOSA-N 1 1 341.411 3.304 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)ccc1Cl ZINC000934213277 1329956222 /nfs/dbraw/zinc/95/62/22/1329956222.db2.gz AETSSTTYZCAVKA-SJKOYZFVSA-N 1 1 348.786 3.080 10 5 EGBEMO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001324958499 1387851388 /nfs/dbraw/zinc/85/13/88/1387851388.db2.gz PLDBVPZTRZIDAR-LLVKDONJSA-N 1 1 349.774 3.088 10 5 EGBEMO Cc1ccc(C[C@]2(C)CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001196595742 1368645033 /nfs/dbraw/zinc/64/50/33/1368645033.db2.gz WLEHDHVOTWBTLQ-SFHVURJKSA-N 1 1 328.416 3.197 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001198821540 1369121739 /nfs/dbraw/zinc/12/17/39/1369121739.db2.gz SQEFZPMJWKRLMD-ZYSHUDEJSA-N 1 1 329.444 3.464 10 5 EGBEMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC001187662436 1388138948 /nfs/dbraw/zinc/13/89/48/1388138948.db2.gz BPXXPSHANZJCPV-SMDDNHRTSA-N 1 1 330.363 3.300 10 5 EGBEMO O=C(c1csc([N+](=O)[O-])c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC001125229533 1372762375 /nfs/dbraw/zinc/76/23/75/1372762375.db2.gz GDFSUSCFSNXPFI-CQSZACIVSA-N 1 1 343.408 3.281 10 5 EGBEMO Cc1cc(N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001163663113 1383098148 /nfs/dbraw/zinc/09/81/48/1383098148.db2.gz TYMUSJCNBQPLFE-INIZCTEOSA-N 1 1 343.402 3.405 10 5 EGBEMO CC[N@@H+](CCNc1cccc(Br)c1[N+](=O)[O-])C(C)C ZINC001306957455 1383925589 /nfs/dbraw/zinc/92/55/89/1383925589.db2.gz XYJJEECVAQMALY-UHFFFAOYSA-N 1 1 330.226 3.500 10 5 EGBEMO CCc1[nH+]ccn1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001307206608 1383956882 /nfs/dbraw/zinc/95/68/82/1383956882.db2.gz BRBJQBHCDNTOMK-UHFFFAOYSA-N 1 1 326.303 3.067 10 5 EGBEMO Cc1cc(F)cc2c1C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001307720022 1384018338 /nfs/dbraw/zinc/01/83/38/1384018338.db2.gz WGOOYRFNOYZWEW-UHFFFAOYSA-N 1 1 330.359 3.479 10 5 EGBEMO Cc1cc(F)cc2c1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001307720022 1384018345 /nfs/dbraw/zinc/01/83/45/1384018345.db2.gz WGOOYRFNOYZWEW-UHFFFAOYSA-N 1 1 330.359 3.479 10 5 EGBEMO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001308071909 1384086679 /nfs/dbraw/zinc/08/66/79/1384086679.db2.gz HTOMRIDIPHEQGF-HNNXBMFYSA-N 1 1 349.431 3.330 10 5 EGBEMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC001308071909 1384086683 /nfs/dbraw/zinc/08/66/83/1384086683.db2.gz HTOMRIDIPHEQGF-HNNXBMFYSA-N 1 1 349.431 3.330 10 5 EGBEMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001354809143 1392170495 /nfs/dbraw/zinc/17/04/95/1392170495.db2.gz ZYCAFUZJCCAADS-PBHICJAKSA-N 1 1 345.443 3.079 10 5 EGBEMO Cc1coc(C)c1C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479768767 1392377003 /nfs/dbraw/zinc/37/70/03/1392377003.db2.gz LKVONRUCGSTINZ-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479831515 1392417997 /nfs/dbraw/zinc/41/79/97/1392417997.db2.gz PWEQBTOFRQVFBP-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO C[N@@H+](CCCNC(=O)/C=C/C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001707367633 1417296900 /nfs/dbraw/zinc/29/69/00/1417296900.db2.gz VKPUSXYRNOKSPR-MDZDMXLPSA-N 1 1 333.432 3.135 10 5 EGBEMO CC(C)=CC(=O)NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001707472384 1417372336 /nfs/dbraw/zinc/37/23/36/1417372336.db2.gz AKIWWFROYZSBII-UHFFFAOYSA-N 1 1 331.416 3.032 10 5 EGBEMO Cc1cccc(C)c1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001714563093 1419290686 /nfs/dbraw/zinc/29/06/86/1419290686.db2.gz PANPHWABVFWPCY-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO Cc1cccc(C)c1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001714563093 1419290687 /nfs/dbraw/zinc/29/06/87/1419290687.db2.gz PANPHWABVFWPCY-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO CCC[N@H+](CCNC(=O)c1ccoc1C)Cc1ccccc1[N+](=O)[O-] ZINC001714648455 1419424951 /nfs/dbraw/zinc/42/49/51/1419424951.db2.gz UFHZOUYZJHRBGO-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1ccoc1C)Cc1ccccc1[N+](=O)[O-] ZINC001714648455 1419424952 /nfs/dbraw/zinc/42/49/52/1419424952.db2.gz UFHZOUYZJHRBGO-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO C/C(=C/C(=O)N(C)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001724842319 1425191878 /nfs/dbraw/zinc/19/18/78/1425191878.db2.gz BBDJKEKQKYWAFY-SQFISAMPSA-N 1 1 345.443 3.231 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731300718 1427243221 /nfs/dbraw/zinc/24/32/21/1427243221.db2.gz AZKWINXRBWQPLY-UHFFFAOYSA-N 1 1 347.440 3.298 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC1 ZINC001734546906 1438142665 /nfs/dbraw/zinc/14/26/65/1438142665.db2.gz PNKMRZIMWHDKGP-UHFFFAOYSA-N 1 1 333.432 3.064 10 5 EGBEMO CC[C@H](NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000132287105 529521927 /nfs/dbraw/zinc/52/19/27/529521927.db2.gz HBRVAAFJFMIBPZ-RRQGHBQHSA-N 1 1 348.447 3.074 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003327011 210007849 /nfs/dbraw/zinc/00/78/49/210007849.db2.gz QPICZOUGTVPHPE-NSHDSACASA-N 1 1 342.852 3.019 10 5 EGBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183333466 235013995 /nfs/dbraw/zinc/01/39/95/235013995.db2.gz ZBTLAVZVVNPTQT-INIZCTEOSA-N 1 1 343.431 3.024 10 5 EGBEMO Cc1c(C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)cccc1[N+](=O)[O-] ZINC000352961337 141278061 /nfs/dbraw/zinc/27/80/61/141278061.db2.gz AXIDCQXVLDJZQI-QGZVFWFLSA-N 1 1 339.399 3.433 10 5 EGBEMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)cc1[N+](=O)[O-] ZINC000185056253 144103909 /nfs/dbraw/zinc/10/39/09/144103909.db2.gz JRAQIUMDKWJCKO-GFCCVEGCSA-N 1 1 341.371 3.143 10 5 EGBEMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000336699753 154210389 /nfs/dbraw/zinc/21/03/89/154210389.db2.gz DFZHEUSSURUYSE-CYBMUJFWSA-N 1 1 332.791 3.330 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248653523 163026700 /nfs/dbraw/zinc/02/67/00/163026700.db2.gz URUMJDPJMXVAFN-HIFRSBDPSA-N 1 1 334.420 3.062 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355220484 166138203 /nfs/dbraw/zinc/13/82/03/166138203.db2.gz LIMPEXOTIKILLO-CABCVRRESA-N 1 1 334.416 3.242 10 5 EGBEMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000355739889 166293839 /nfs/dbraw/zinc/29/38/39/166293839.db2.gz JMFDURFWGAKDOT-RDBSUJKOSA-N 1 1 347.415 3.259 10 5 EGBEMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561193 167194250 /nfs/dbraw/zinc/19/42/50/167194250.db2.gz QVANPTBQJIEHDI-SCLBCKFNSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561193 167194252 /nfs/dbraw/zinc/19/42/52/167194252.db2.gz QVANPTBQJIEHDI-SCLBCKFNSA-N 1 1 347.415 3.054 10 5 EGBEMO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000360202043 167269594 /nfs/dbraw/zinc/26/95/94/167269594.db2.gz DVYIXZDPRPNDIJ-RCQQVGEISA-N 1 1 341.415 3.277 10 5 EGBEMO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180175539 265397124 /nfs/dbraw/zinc/39/71/24/265397124.db2.gz FDOQRLDEEQDNMO-CZUORRHYSA-N 1 1 345.424 3.140 10 5 EGBEMO Cc1sc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180175539 265397128 /nfs/dbraw/zinc/39/71/28/265397128.db2.gz FDOQRLDEEQDNMO-CZUORRHYSA-N 1 1 345.424 3.140 10 5 EGBEMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000193637034 266050156 /nfs/dbraw/zinc/05/01/56/266050156.db2.gz GEEMVFXSTMBNSL-LBPRGKRZSA-N 1 1 347.371 3.184 10 5 EGBEMO COc1cccc2c1CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000193716819 266055538 /nfs/dbraw/zinc/05/55/38/266055538.db2.gz HWUQXPVQCHAEHJ-UHFFFAOYSA-N 1 1 326.396 3.247 10 5 EGBEMO CC[N@H+]1CCC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000048505783 275146571 /nfs/dbraw/zinc/14/65/71/275146571.db2.gz KIFSXBSZOAWAMD-LLVKDONJSA-N 1 1 328.210 3.254 10 5 EGBEMO O=[N+]([O-])c1cnc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000413290060 309025390 /nfs/dbraw/zinc/02/53/90/309025390.db2.gz ZJOXYPLYVQMNFA-LBPRGKRZSA-N 1 1 345.378 3.046 10 5 EGBEMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449429887 310061305 /nfs/dbraw/zinc/06/13/05/310061305.db2.gz VIEPXGVAWRRBMV-XJKSGUPXSA-N 1 1 347.440 3.311 10 5 EGBEMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451272910 310169169 /nfs/dbraw/zinc/16/91/69/310169169.db2.gz VKGSWQMMNJQWSV-HZMBPMFUSA-N 1 1 332.322 3.206 10 5 EGBEMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)nc2c1 ZINC000451340542 310172785 /nfs/dbraw/zinc/17/27/85/310172785.db2.gz JORMSSRVXLMJLZ-IMJJTQAJSA-N 1 1 345.399 3.252 10 5 EGBEMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)nc2c1 ZINC000451340540 310172857 /nfs/dbraw/zinc/17/28/57/310172857.db2.gz JORMSSRVXLMJLZ-BMFZPTHFSA-N 1 1 345.399 3.252 10 5 EGBEMO COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000489605745 311114059 /nfs/dbraw/zinc/11/40/59/311114059.db2.gz MHVUQLKSPWFYTM-UHFFFAOYSA-N 1 1 330.359 3.343 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000492751216 311287091 /nfs/dbraw/zinc/28/70/91/311287091.db2.gz RYRXPXRNJFQOMN-HZPDHXFCSA-N 1 1 334.416 3.242 10 5 EGBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000553888880 315286841 /nfs/dbraw/zinc/28/68/41/315286841.db2.gz MDFGVWLJDCFWDJ-INIZCTEOSA-N 1 1 346.814 3.210 10 5 EGBEMO O=[N+]([O-])c1cnccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000066812058 453876344 /nfs/dbraw/zinc/87/63/44/453876344.db2.gz TZUAGWMJMKKOEA-UHFFFAOYSA-N 1 1 340.427 3.135 10 5 EGBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000090010589 454262044 /nfs/dbraw/zinc/26/20/44/454262044.db2.gz JYAWJIWAGLLSLT-QGZVFWFLSA-N 1 1 328.416 3.279 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000120267431 454281093 /nfs/dbraw/zinc/28/10/93/454281093.db2.gz COFUIRLITHVMNE-ZIAGYGMSSA-N 1 1 334.420 3.158 10 5 EGBEMO COc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000093114935 454684549 /nfs/dbraw/zinc/68/45/49/454684549.db2.gz DUBDGBMKCRCDAW-AWEZNQCLSA-N 1 1 336.775 3.080 10 5 EGBEMO CC[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000176707629 454774148 /nfs/dbraw/zinc/77/41/48/454774148.db2.gz YUPCVAGZNSGIDB-RHSMWYFYSA-N 1 1 348.447 3.029 10 5 EGBEMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000246313431 455468961 /nfs/dbraw/zinc/46/89/61/455468961.db2.gz QYSYWMRKZZADGF-HZPDHXFCSA-N 1 1 347.440 3.403 10 5 EGBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000247038027 455548568 /nfs/dbraw/zinc/54/85/68/455548568.db2.gz GNHUWKSQDQGBTA-RISCZKNCSA-N 1 1 345.424 3.118 10 5 EGBEMO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000248123649 455683874 /nfs/dbraw/zinc/68/38/74/455683874.db2.gz UXOSDOSZEOQXDE-WMZOPIPTSA-N 1 1 339.395 3.078 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248138203 455687292 /nfs/dbraw/zinc/68/72/92/455687292.db2.gz XZIWBBREKSNVTC-ROUUACIJSA-N 1 1 339.395 3.078 10 5 EGBEMO 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ZINC000285568161 455871384 /nfs/dbraw/zinc/87/13/84/455871384.db2.gz NNVHWVAJWKBSBY-BXUZGUMPSA-N 1 1 332.322 3.435 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195352041 455948361 /nfs/dbraw/zinc/94/83/61/455948361.db2.gz GEXWXAQYDTXSPJ-GFCCVEGCSA-N 1 1 333.413 3.440 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH+]ccc(NCc3ccn(C4CCCC4)n3)c2c1 ZINC000601131038 460723250 /nfs/dbraw/zinc/72/32/50/460723250.db2.gz FDEQPBHKGOQHOY-UHFFFAOYSA-N 1 1 337.383 3.489 10 5 EGBEMO O=[N+]([O-])c1ccc(F)cc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000302818124 456408702 /nfs/dbraw/zinc/40/87/02/456408702.db2.gz MVTVVJCOUVIDHI-UHFFFAOYSA-N 1 1 345.374 3.178 10 5 EGBEMO CC(C)[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291240111 456575190 /nfs/dbraw/zinc/57/51/90/456575190.db2.gz LEKPWSJTTYEUBR-GFCCVEGCSA-N 1 1 343.221 3.357 10 5 EGBEMO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310279707 456581004 /nfs/dbraw/zinc/58/10/04/456581004.db2.gz VZFFLROGKSNOCC-ZBFHGGJFSA-N 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ZINC000361249359 457666132 /nfs/dbraw/zinc/66/61/32/457666132.db2.gz FRAZDVJBZIXRDQ-OAHLLOKOSA-N 1 1 333.413 3.329 10 5 EGBEMO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000361249359 457666134 /nfs/dbraw/zinc/66/61/34/457666134.db2.gz FRAZDVJBZIXRDQ-OAHLLOKOSA-N 1 1 333.413 3.329 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458222877 457976141 /nfs/dbraw/zinc/97/61/41/457976141.db2.gz QWOXNBWBNXPUPW-GFCCVEGCSA-N 1 1 339.823 3.018 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249184 458428396 /nfs/dbraw/zinc/42/83/96/458428396.db2.gz IBAWZDGNFJWOEZ-ZXFNITATSA-N 1 1 334.416 3.314 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249184 458428399 /nfs/dbraw/zinc/42/83/99/458428399.db2.gz IBAWZDGNFJWOEZ-ZXFNITATSA-N 1 1 334.416 3.314 10 5 EGBEMO C[C@@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438496893 458587252 /nfs/dbraw/zinc/58/72/52/458587252.db2.gz YZLSBIMVTYCGPN-LJQANCHMSA-N 1 1 339.395 3.197 10 5 EGBEMO C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438496893 458587254 /nfs/dbraw/zinc/58/72/54/458587254.db2.gz YZLSBIMVTYCGPN-LJQANCHMSA-N 1 1 339.395 3.197 10 5 EGBEMO COc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596082912 459513637 /nfs/dbraw/zinc/51/36/37/459513637.db2.gz PXHYGGVBMUMEFW-MNOVXSKESA-N 1 1 325.796 3.296 10 5 EGBEMO CC[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000592133594 459531674 /nfs/dbraw/zinc/53/16/74/459531674.db2.gz YHTDJJOELGOPLJ-ULQDDVLXSA-N 1 1 336.432 3.125 10 5 EGBEMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c([N+](=O)[O-])s1 ZINC000596425020 459633533 /nfs/dbraw/zinc/63/35/33/459633533.db2.gz XCDXJTMOSACBLB-HNNXBMFYSA-N 1 1 347.440 3.143 10 5 EGBEMO Cc1ccnc([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000584121140 459660931 /nfs/dbraw/zinc/66/09/31/459660931.db2.gz BMFGCNHVDYBWDM-ZDUSSCGKSA-N 1 1 337.383 3.164 10 5 EGBEMO Cc1ccnc([C@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000584121140 459660937 /nfs/dbraw/zinc/66/09/37/459660937.db2.gz BMFGCNHVDYBWDM-ZDUSSCGKSA-N 1 1 337.383 3.164 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(c3ccccc3C)CC2)c1 ZINC000593034062 459748625 /nfs/dbraw/zinc/74/86/25/459748625.db2.gz DBHDCUHZVLOMLE-UHFFFAOYSA-N 1 1 340.379 3.469 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000584760443 459796432 /nfs/dbraw/zinc/79/64/32/459796432.db2.gz ROPZZRXYHGHVCM-UHFFFAOYSA-N 1 1 338.367 3.079 10 5 EGBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976205 459897706 /nfs/dbraw/zinc/89/77/06/459897706.db2.gz XOTYTQAZILKYRB-DNVCBOLYSA-N 1 1 342.395 3.436 10 5 EGBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976205 459897707 /nfs/dbraw/zinc/89/77/07/459897707.db2.gz XOTYTQAZILKYRB-DNVCBOLYSA-N 1 1 342.395 3.436 10 5 EGBEMO COc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000589102917 460029963 /nfs/dbraw/zinc/02/99/63/460029963.db2.gz DTLLIQJTNUYYMP-HNNXBMFYSA-N 1 1 327.384 3.290 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000589496347 460095308 /nfs/dbraw/zinc/09/53/08/460095308.db2.gz RBXZGPNMCOEFCL-INIZCTEOSA-N 1 1 340.379 3.371 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610476541 460159705 /nfs/dbraw/zinc/15/97/05/460159705.db2.gz GLFGHGDBNRKFDV-MRXNPFEDSA-N 1 1 330.388 3.027 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610476541 460159712 /nfs/dbraw/zinc/15/97/12/460159712.db2.gz GLFGHGDBNRKFDV-MRXNPFEDSA-N 1 1 330.388 3.027 10 5 EGBEMO COc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599140259 460172738 /nfs/dbraw/zinc/17/27/38/460172738.db2.gz AOWGRHZWGVFCCU-NSHDSACASA-N 1 1 327.812 3.401 10 5 EGBEMO COC(=O)c1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000599166594 460184452 /nfs/dbraw/zinc/18/44/52/460184452.db2.gz YKHKJWPHPRZGDX-HNNXBMFYSA-N 1 1 347.415 3.119 10 5 EGBEMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599675139 460305068 /nfs/dbraw/zinc/30/50/68/460305068.db2.gz OXGAQMRTJKBWLP-GUYCJALGSA-N 1 1 328.372 3.409 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)o1 ZINC000600209043 460440358 /nfs/dbraw/zinc/44/03/58/460440358.db2.gz WPEBGWGGOGBYIV-IFXJQAMLSA-N 1 1 342.395 3.449 10 5 EGBEMO CN(C)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc[nH+]1 ZINC000601277156 460773101 /nfs/dbraw/zinc/77/31/01/460773101.db2.gz TYTGRLHVTOQDEL-UHFFFAOYSA-N 1 1 340.383 3.116 10 5 EGBEMO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872026973 1296672503 /nfs/dbraw/zinc/67/25/03/1296672503.db2.gz JGRYTHOILAHLDU-UONOGXRCSA-N 1 1 348.374 3.133 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872279984 1296889710 /nfs/dbraw/zinc/88/97/10/1296889710.db2.gz IFPCEOXRJUMTHW-ZWKOTPCHSA-N 1 1 334.416 3.052 10 5 EGBEMO CC(=O)c1c(N[C@H]2C[N@@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000882136110 1301844087 /nfs/dbraw/zinc/84/40/87/1301844087.db2.gz HYEWVYLDRRBCFL-INIZCTEOSA-N 1 1 325.368 3.396 10 5 EGBEMO CC(=O)c1c(N[C@H]2C[N@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000882136110 1301844093 /nfs/dbraw/zinc/84/40/93/1301844093.db2.gz HYEWVYLDRRBCFL-INIZCTEOSA-N 1 1 325.368 3.396 10 5 EGBEMO CC(=O)c1c(N[C@@H]2C[N@@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000882136112 1301844375 /nfs/dbraw/zinc/84/43/75/1301844375.db2.gz HYEWVYLDRRBCFL-MRXNPFEDSA-N 1 1 325.368 3.396 10 5 EGBEMO CC(=O)c1c(N[C@@H]2C[N@H+](C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000882136112 1301844383 /nfs/dbraw/zinc/84/43/83/1301844383.db2.gz HYEWVYLDRRBCFL-MRXNPFEDSA-N 1 1 325.368 3.396 10 5 EGBEMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858211897 1328712575 /nfs/dbraw/zinc/71/25/75/1328712575.db2.gz UQUHOOATOAIYBF-UHFFFAOYSA-N 1 1 348.712 3.290 10 5 EGBEMO Cn1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000930438828 1328854995 /nfs/dbraw/zinc/85/49/95/1328854995.db2.gz CXLIUUYYULDQBI-UHFFFAOYSA-N 1 1 342.321 3.022 10 5 EGBEMO Cn1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000930438828 1328854997 /nfs/dbraw/zinc/85/49/97/1328854997.db2.gz CXLIUUYYULDQBI-UHFFFAOYSA-N 1 1 342.321 3.022 10 5 EGBEMO Cc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000930811219 1328977132 /nfs/dbraw/zinc/97/71/32/1328977132.db2.gz VMULHMMGZRIPTG-WKILWMFISA-N 1 1 345.399 3.197 10 5 EGBEMO Cc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000930811219 1328977138 /nfs/dbraw/zinc/97/71/38/1328977138.db2.gz VMULHMMGZRIPTG-WKILWMFISA-N 1 1 345.399 3.197 10 5 EGBEMO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000860825747 1329359718 /nfs/dbraw/zinc/35/97/18/1329359718.db2.gz OUOHNHATFFWDMF-UHFFFAOYSA-N 1 1 339.395 3.130 10 5 EGBEMO O=C1N(C[N@H+]2CCCC3(CC3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000863331460 1329547195 /nfs/dbraw/zinc/54/71/95/1329547195.db2.gz MRUXCPYDCCZTMD-UHFFFAOYSA-N 1 1 344.415 3.060 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934217065 1329956792 /nfs/dbraw/zinc/95/67/92/1329956792.db2.gz ZODCZCMAHNSJBE-SJKOYZFVSA-N 1 1 348.786 3.080 10 5 EGBEMO C[N@H+]1CC[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208657 1330078395 /nfs/dbraw/zinc/07/83/95/1330078395.db2.gz WBWZYHCBCXAPHS-CMPLNLGQSA-N 1 1 329.322 3.144 10 5 EGBEMO CCO[C@H]1C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(CC)CC ZINC001191821518 1367602016 /nfs/dbraw/zinc/60/20/16/1367602016.db2.gz NZRGHQOQUGGVCL-GJZGRUSLSA-N 1 1 338.452 3.015 10 5 EGBEMO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1CC[N+](=O)[O-] ZINC001194665751 1368304785 /nfs/dbraw/zinc/30/47/85/1368304785.db2.gz OGRISVZJLNNYFZ-KRWDZBQOSA-N 1 1 339.867 3.149 10 5 EGBEMO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1CC[N+](=O)[O-] ZINC001194665751 1368304792 /nfs/dbraw/zinc/30/47/92/1368304792.db2.gz OGRISVZJLNNYFZ-KRWDZBQOSA-N 1 1 339.867 3.149 10 5 EGBEMO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@@H+]1CC[N+](=O)[O-] ZINC001194665751 1368304802 /nfs/dbraw/zinc/30/48/02/1368304802.db2.gz OGRISVZJLNNYFZ-KRWDZBQOSA-N 1 1 339.867 3.149 10 5 EGBEMO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1CC[N+](=O)[O-] ZINC001194665751 1368304808 /nfs/dbraw/zinc/30/48/08/1368304808.db2.gz OGRISVZJLNNYFZ-KRWDZBQOSA-N 1 1 339.867 3.149 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001196253408 1368577150 /nfs/dbraw/zinc/57/71/50/1368577150.db2.gz DJMHGJGGVFXVFU-OAHLLOKOSA-N 1 1 332.400 3.394 10 5 EGBEMO O=C(C[N@@H+]1CCC[C@H](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197201797 1368763225 /nfs/dbraw/zinc/76/32/25/1368763225.db2.gz IWAQMTIQHZBSGX-HNNXBMFYSA-N 1 1 331.416 3.436 10 5 EGBEMO O=C(C[N@H+]1CCC[C@H](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001197201797 1368763226 /nfs/dbraw/zinc/76/32/26/1368763226.db2.gz IWAQMTIQHZBSGX-HNNXBMFYSA-N 1 1 331.416 3.436 10 5 EGBEMO COC(=O)C(C)(C)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001197326185 1368788446 /nfs/dbraw/zinc/78/84/46/1368788446.db2.gz OBYIQNAIMNYOGO-UHFFFAOYSA-N 1 1 336.432 3.295 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC[C@@]34CCOC4)co2)cc1 ZINC001198767835 1369108653 /nfs/dbraw/zinc/10/86/53/1369108653.db2.gz DOGXMLVABJVFOB-SFHVURJKSA-N 1 1 343.383 3.395 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCC[C@@]34CCOC4)co2)cc1 ZINC001198767835 1369108657 /nfs/dbraw/zinc/10/86/57/1369108657.db2.gz DOGXMLVABJVFOB-SFHVURJKSA-N 1 1 343.383 3.395 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001266013678 1377175606 /nfs/dbraw/zinc/17/56/06/1377175606.db2.gz GJMXIEFEKVDOMD-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001136732737 1377418852 /nfs/dbraw/zinc/41/88/52/1377418852.db2.gz DXOKLIVYIJIJAT-NXHRZFHOSA-N 1 1 345.443 3.079 10 5 EGBEMO CC/C(C)=C/C(=O)N1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001283306794 1378795237 /nfs/dbraw/zinc/79/52/37/1378795237.db2.gz HDHCITCIBLLUDS-FYWRMAATSA-N 1 1 345.443 3.374 10 5 EGBEMO C[C@H]1CCC[N@H+](C(C)(C)CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC001162356114 1382739172 /nfs/dbraw/zinc/73/91/72/1382739172.db2.gz QWKBFWVBNNFXIQ-AWEZNQCLSA-N 1 1 342.443 3.487 10 5 EGBEMO C[N@H+]1C[C@@H]2CN(c3c4cccc(Cl)c4ncc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001164261646 1383172514 /nfs/dbraw/zinc/17/25/14/1383172514.db2.gz VVBUSDWPMUADDC-DIFFPNOSSA-N 1 1 346.818 3.184 10 5 EGBEMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC001176797693 1385703520 /nfs/dbraw/zinc/70/35/20/1385703520.db2.gz DCHNYKGJEKMTGF-JKSUJKDBSA-N 1 1 331.416 3.434 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001176871499 1385728111 /nfs/dbraw/zinc/72/81/11/1385728111.db2.gz MKYXGIAQVZVDGV-CRAIPNDOSA-N 1 1 346.814 3.284 10 5 EGBEMO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001338318565 1389633827 /nfs/dbraw/zinc/63/38/27/1389633827.db2.gz IDSGQFNBTNUIGW-CYBMUJFWSA-N 1 1 345.237 3.196 10 5 EGBEMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001338318565 1389633833 /nfs/dbraw/zinc/63/38/33/1389633833.db2.gz IDSGQFNBTNUIGW-CYBMUJFWSA-N 1 1 345.237 3.196 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1=CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001479767148 1392376460 /nfs/dbraw/zinc/37/64/60/1392376460.db2.gz HMLAXVFZVNDJHZ-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CCC1(C(=O)NCCC[N@H+](C)Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001479790437 1392391689 /nfs/dbraw/zinc/39/16/89/1392391689.db2.gz LAOWFDTUYDZNNL-UHFFFAOYSA-N 1 1 339.461 3.175 10 5 EGBEMO CCC1(C(=O)NCCC[N@@H+](C)Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001479790437 1392391695 /nfs/dbraw/zinc/39/16/95/1392391695.db2.gz LAOWFDTUYDZNNL-UHFFFAOYSA-N 1 1 339.461 3.175 10 5 EGBEMO C/C=C(\C)C(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001483964436 1395165472 /nfs/dbraw/zinc/16/54/72/1395165472.db2.gz VZWKJUHLTCXRTO-UUILKARUSA-N 1 1 337.445 3.093 10 5 EGBEMO O=C(CC1CCCCC1)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001732120732 1428372232 /nfs/dbraw/zinc/37/22/32/1428372232.db2.gz VSWSIBRMOMNBGU-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CC[N@H+](CCNC(=O)[C@H]1CC[C@H](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001714598140 1419352662 /nfs/dbraw/zinc/35/26/62/1419352662.db2.gz YGDGAIKSMHLHCJ-WKILWMFISA-N 1 1 347.459 3.359 10 5 EGBEMO CC[N@@H+](CCNC(=O)[C@H]1CC[C@H](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001714598140 1419352665 /nfs/dbraw/zinc/35/26/65/1419352665.db2.gz YGDGAIKSMHLHCJ-WKILWMFISA-N 1 1 347.459 3.359 10 5 EGBEMO CCC1(C(=O)N(C)CCC[N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001724854907 1425224204 /nfs/dbraw/zinc/22/42/04/1425224204.db2.gz DSFVWYZIRQSEEQ-UHFFFAOYSA-N 1 1 339.461 3.127 10 5 EGBEMO CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001724854907 1425224208 /nfs/dbraw/zinc/22/42/08/1425224208.db2.gz DSFVWYZIRQSEEQ-UHFFFAOYSA-N 1 1 339.461 3.127 10 5 EGBEMO CC(C)N(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CCCC1 ZINC001725727606 1426392753 /nfs/dbraw/zinc/39/27/53/1426392753.db2.gz HUUOASXWYQXYTC-UHFFFAOYSA-N 1 1 345.443 3.374 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CCCC1 ZINC001725727606 1426392755 /nfs/dbraw/zinc/39/27/55/1426392755.db2.gz HUUOASXWYQXYTC-UHFFFAOYSA-N 1 1 345.443 3.374 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCCC1 ZINC001733766480 1429989541 /nfs/dbraw/zinc/98/95/41/1429989541.db2.gz UYVQHFPRRCVUFQ-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092098200 218118975 /nfs/dbraw/zinc/11/89/75/218118975.db2.gz FICYVIHKZNPZMR-OAHLLOKOSA-N 1 1 345.424 3.034 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183840200 144080659 /nfs/dbraw/zinc/08/06/59/144080659.db2.gz ACEHCINLWFETKC-UHFFFAOYSA-N 1 1 346.818 3.356 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183840200 144080661 /nfs/dbraw/zinc/08/06/61/144080661.db2.gz ACEHCINLWFETKC-UHFFFAOYSA-N 1 1 346.818 3.356 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000341069659 155138989 /nfs/dbraw/zinc/13/89/89/155138989.db2.gz OPIZKPXPOXOYMR-TXEJJXNPSA-N 1 1 339.823 3.241 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118836518 152155796 /nfs/dbraw/zinc/15/57/96/152155796.db2.gz NNFXLVYUJKPBCH-CVEARBPZSA-N 1 1 340.427 3.430 10 5 EGBEMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000119664323 152221887 /nfs/dbraw/zinc/22/18/87/152221887.db2.gz CLHVVOHXFIMUFR-JTQLQIEISA-N 1 1 333.775 3.198 10 5 EGBEMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1cc(F)ccc1[N+](=O)[O-] ZINC000368817379 157298060 /nfs/dbraw/zinc/29/80/60/157298060.db2.gz MXDXPXLZUJEHFD-UHFFFAOYSA-N 1 1 341.342 3.464 10 5 EGBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2 ZINC000338347617 163218142 /nfs/dbraw/zinc/21/81/42/163218142.db2.gz IKXBCQCARAGBCZ-UHFFFAOYSA-N 1 1 328.368 3.041 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCSC[C@@H]3CCO)o2)c1 ZINC000355085739 166102360 /nfs/dbraw/zinc/10/23/60/166102360.db2.gz YKFLDFSKVOKZBH-HNNXBMFYSA-N 1 1 348.424 3.155 10 5 EGBEMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000408448881 274316506 /nfs/dbraw/zinc/31/65/06/274316506.db2.gz BSWZXCIIPADCFR-GUTXKFCHSA-N 1 1 343.431 3.313 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000194959517 302039683 /nfs/dbraw/zinc/03/96/83/302039683.db2.gz MSEFHJACZFAZOS-CRAIPNDOSA-N 1 1 339.395 3.078 10 5 EGBEMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCCO1 ZINC000072610700 307380629 /nfs/dbraw/zinc/38/06/29/307380629.db2.gz PSAQJFVFNWWOIV-INIZCTEOSA-N 1 1 349.431 3.123 10 5 EGBEMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCCO1 ZINC000072610700 307380630 /nfs/dbraw/zinc/38/06/30/307380630.db2.gz PSAQJFVFNWWOIV-INIZCTEOSA-N 1 1 349.431 3.123 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000294715987 308249219 /nfs/dbraw/zinc/24/92/19/308249219.db2.gz FCOFSESEPWBYSX-UHFFFAOYSA-N 1 1 339.395 3.167 10 5 EGBEMO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)s1 ZINC000301688036 308710934 /nfs/dbraw/zinc/71/09/34/308710934.db2.gz XPPWDTOLUDMCQX-UHFFFAOYSA-N 1 1 346.456 3.244 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000420994113 309306633 /nfs/dbraw/zinc/30/66/33/309306633.db2.gz BUYGYALKNXBFBM-CYBMUJFWSA-N 1 1 344.333 3.493 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000420994113 309306634 /nfs/dbraw/zinc/30/66/34/309306634.db2.gz BUYGYALKNXBFBM-CYBMUJFWSA-N 1 1 344.333 3.493 10 5 EGBEMO COc1cc(C[N@@H+]2CC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449426289 310061150 /nfs/dbraw/zinc/06/11/50/310061150.db2.gz KQUWHZJLDAAYIV-GFCCVEGCSA-N 1 1 342.342 3.232 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449426289 310061151 /nfs/dbraw/zinc/06/11/51/310061151.db2.gz 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ZINC000541718331 459481976 /nfs/dbraw/zinc/48/19/76/459481976.db2.gz IFBOTYCRIPDVJK-GOSISDBHSA-N 1 1 334.416 3.255 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000541718331 459481979 /nfs/dbraw/zinc/48/19/79/459481979.db2.gz IFBOTYCRIPDVJK-GOSISDBHSA-N 1 1 334.416 3.255 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccccc1 ZINC000485983762 459483314 /nfs/dbraw/zinc/48/33/14/459483314.db2.gz YCMBVLAHGRGEIZ-ICSRJNTNSA-N 1 1 348.406 3.422 10 5 EGBEMO CC(C)OCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130375 459529796 /nfs/dbraw/zinc/52/97/96/459529796.db2.gz FWQSKEPTJCLQMF-QAQDUYKDSA-N 1 1 336.432 3.125 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000542546517 459570644 /nfs/dbraw/zinc/57/06/44/459570644.db2.gz XWEUSCSFEIIKDE-UHFFFAOYSA-N 1 1 347.378 3.005 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000542546517 459570649 /nfs/dbraw/zinc/57/06/49/459570649.db2.gz XWEUSCSFEIIKDE-UHFFFAOYSA-N 1 1 347.378 3.005 10 5 EGBEMO C[N@H+]1C[C@@H](CNCc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000592376518 459584987 /nfs/dbraw/zinc/58/49/87/459584987.db2.gz XTMGEPYIDPIEHB-MSOLQXFVSA-N 1 1 325.412 3.030 10 5 EGBEMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CC=CCC1 ZINC000544114220 459728523 /nfs/dbraw/zinc/72/85/23/459728523.db2.gz GOVWDKFKRBKRDY-CYBMUJFWSA-N 1 1 328.372 3.433 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000593023898 459743690 /nfs/dbraw/zinc/74/36/90/459743690.db2.gz GFAQFVFIVCLFFO-GFCCVEGCSA-N 1 1 346.387 3.010 10 5 EGBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2Cc2ccccc2F)n1 ZINC000593080042 459766805 /nfs/dbraw/zinc/76/68/05/459766805.db2.gz CRMWITNHWSSDQV-HNNXBMFYSA-N 1 1 332.379 3.028 10 5 EGBEMO CCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000596865891 459782551 /nfs/dbraw/zinc/78/25/51/459782551.db2.gz KBZVQODJSVZQNF-AWEZNQCLSA-N 1 1 334.420 3.160 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c(F)c1 ZINC000586769529 459867739 /nfs/dbraw/zinc/86/77/39/459867739.db2.gz HYGLGEXZGPBRSW-ZDUSSCGKSA-N 1 1 333.338 3.333 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(F)c1 ZINC000586769529 459867743 /nfs/dbraw/zinc/86/77/43/459867743.db2.gz HYGLGEXZGPBRSW-ZDUSSCGKSA-N 1 1 333.338 3.333 10 5 EGBEMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000597211783 459878700 /nfs/dbraw/zinc/87/87/00/459878700.db2.gz OVZNYAPBSHZHLQ-KBXCAEBGSA-N 1 1 328.368 3.323 10 5 EGBEMO Cc1ccc(C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000597257393 459898741 /nfs/dbraw/zinc/89/87/41/459898741.db2.gz FLYWNZKPYSCRPS-UHFFFAOYSA-N 1 1 328.416 3.221 10 5 EGBEMO Cc1ccc(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000597257393 459898747 /nfs/dbraw/zinc/89/87/47/459898747.db2.gz FLYWNZKPYSCRPS-UHFFFAOYSA-N 1 1 328.416 3.221 10 5 EGBEMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC1(F)F ZINC000588232679 459934781 /nfs/dbraw/zinc/93/47/81/459934781.db2.gz VUXMPHWCKDBQRB-GXFFZTMASA-N 1 1 327.331 3.089 10 5 EGBEMO CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000597630544 460012825 /nfs/dbraw/zinc/01/28/25/460012825.db2.gz DJNHCKQLTRQONS-NSHDSACASA-N 1 1 342.399 3.359 10 5 EGBEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758021 460014419 /nfs/dbraw/zinc/01/44/19/460014419.db2.gz GWIMJIYGDLIVLQ-IUODEOHRSA-N 1 1 343.383 3.040 10 5 EGBEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758021 460014424 /nfs/dbraw/zinc/01/44/24/460014424.db2.gz GWIMJIYGDLIVLQ-IUODEOHRSA-N 1 1 343.383 3.040 10 5 EGBEMO COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000589102919 460030341 /nfs/dbraw/zinc/03/03/41/460030341.db2.gz DTLLIQJTNUYYMP-OAHLLOKOSA-N 1 1 327.384 3.290 10 5 EGBEMO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599062519 460147519 /nfs/dbraw/zinc/14/75/19/460147519.db2.gz XWRBZRYXCNFCLO-SECBINFHSA-N 1 1 328.294 3.198 10 5 EGBEMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2sccc2[N+](=O)[O-])cc1 ZINC000599138864 460172606 /nfs/dbraw/zinc/17/26/06/460172606.db2.gz HSJYTKYXCKGOPK-CYBMUJFWSA-N 1 1 333.413 3.351 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2sccc2[N+](=O)[O-])cc1 ZINC000599138864 460172611 /nfs/dbraw/zinc/17/26/11/460172611.db2.gz HSJYTKYXCKGOPK-CYBMUJFWSA-N 1 1 333.413 3.351 10 5 EGBEMO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCCC[C@@]32C)cccc1[N+](=O)[O-] ZINC000599675137 460305766 /nfs/dbraw/zinc/30/57/66/460305766.db2.gz OQTBEKTTWWURGX-KSSFIOAISA-N 1 1 331.416 3.496 10 5 EGBEMO Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599768876 460329888 /nfs/dbraw/zinc/32/98/88/460329888.db2.gz PTGNDEIRBGLBDZ-HNNXBMFYSA-N 1 1 332.404 3.042 10 5 EGBEMO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611521533 460386200 /nfs/dbraw/zinc/38/62/00/460386200.db2.gz QMHVPXFVDYJPPC-WBMJQRKESA-N 1 1 332.379 3.175 10 5 EGBEMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611521533 460386209 /nfs/dbraw/zinc/38/62/09/460386209.db2.gz QMHVPXFVDYJPPC-WBMJQRKESA-N 1 1 332.379 3.175 10 5 EGBEMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)n1c[nH+]c2c1CCCC2 ZINC000600179119 460423071 /nfs/dbraw/zinc/42/30/71/460423071.db2.gz ITUWYONEVMDALH-LBPRGKRZSA-N 1 1 328.372 3.260 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600214455 460444123 /nfs/dbraw/zinc/44/41/23/460444123.db2.gz QKIGKYQLXRGBOR-OAHLLOKOSA-N 1 1 328.368 3.299 10 5 EGBEMO C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600231003 460452144 /nfs/dbraw/zinc/45/21/44/460452144.db2.gz XZSRHVGULRYDLY-KDOFPFPSSA-N 1 1 345.443 3.222 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000611983775 460501428 /nfs/dbraw/zinc/50/14/28/460501428.db2.gz JKWYTNUQAJIIQK-MRXNPFEDSA-N 1 1 341.411 3.453 10 5 EGBEMO C[C@](CO)([NH2+]Cc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000601150550 460733777 /nfs/dbraw/zinc/73/37/77/460733777.db2.gz ZEYLSTHKJKCRKB-MRXNPFEDSA-N 1 1 338.766 3.385 10 5 EGBEMO Cc1ccncc1N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601159466 460736278 /nfs/dbraw/zinc/73/62/78/460736278.db2.gz IDRSARPDSIURHX-UHFFFAOYSA-N 1 1 349.394 3.173 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000601288859 460777602 /nfs/dbraw/zinc/77/76/02/460777602.db2.gz DMFXPFGJYFQERR-HZPDHXFCSA-N 1 1 326.400 3.340 10 5 EGBEMO CC(C)[N@H+]1CCC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601453158 460814702 /nfs/dbraw/zinc/81/47/02/460814702.db2.gz HCWXUEBHYZVEOH-MRXNPFEDSA-N 1 1 345.443 3.006 10 5 EGBEMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[nH+]c1 ZINC000736681771 576004649 /nfs/dbraw/zinc/00/46/49/576004649.db2.gz AWVIZZJELMQBCK-UHFFFAOYSA-N 1 1 348.790 3.184 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC000872235840 1296835904 /nfs/dbraw/zinc/83/59/04/1296835904.db2.gz KXHHCNNMCFJARO-MOPGFXCFSA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC000872235840 1296835927 /nfs/dbraw/zinc/83/59/27/1296835927.db2.gz KXHHCNNMCFJARO-MOPGFXCFSA-N 1 1 347.459 3.015 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930440496 1328854759 /nfs/dbraw/zinc/85/47/59/1328854759.db2.gz NPNUGJZZEQNIMH-JSGCOSHPSA-N 1 1 332.322 3.179 10 5 EGBEMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860131435 1329152509 /nfs/dbraw/zinc/15/25/09/1329152509.db2.gz LJRBPFZVKKPUBJ-REAQECSSSA-N 1 1 331.199 3.247 10 5 EGBEMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860131435 1329152515 /nfs/dbraw/zinc/15/25/15/1329152515.db2.gz LJRBPFZVKKPUBJ-REAQECSSSA-N 1 1 331.199 3.247 10 5 EGBEMO COC(=O)C1C[C@H](C)[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000860188553 1329169795 /nfs/dbraw/zinc/16/97/95/1329169795.db2.gz UZKSYHHONCGEAG-QWRGUYRKSA-N 1 1 340.807 3.410 10 5 EGBEMO CCc1[nH+]c(C)cn1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000865394546 1329691281 /nfs/dbraw/zinc/69/12/81/1329691281.db2.gz NIUNDRJJOHNOBS-UHFFFAOYSA-N 1 1 347.762 3.414 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@H]21 ZINC000866206431 1330078469 /nfs/dbraw/zinc/07/84/69/1330078469.db2.gz LAUCVFNHPAQHDI-ZWNOBZJWSA-N 1 1 329.322 3.144 10 5 EGBEMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC000866207736 1330078668 /nfs/dbraw/zinc/07/86/68/1330078668.db2.gz JNCVOSGJNDXINM-HOTGVXAUSA-N 1 1 338.411 3.187 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC[C@@H]21 ZINC000866207708 1330078730 /nfs/dbraw/zinc/07/87/30/1330078730.db2.gz JBQUVMZBTNMRPT-CJNGLKHVSA-N 1 1 344.440 3.249 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000866480882 1330117506 /nfs/dbraw/zinc/11/75/06/1330117506.db2.gz LWXZFIBYWORMRZ-JKSUJKDBSA-N 1 1 346.456 3.293 10 5 EGBEMO CCO[C@H]1C[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(CC)CC ZINC001191821517 1367601994 /nfs/dbraw/zinc/60/19/94/1367601994.db2.gz NZRGHQOQUGGVCL-CABCVRRESA-N 1 1 338.452 3.015 10 5 EGBEMO CCOC(=O)CC(C)(C)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743055 1368105313 /nfs/dbraw/zinc/10/53/13/1368105313.db2.gz IDJSOROHIXAFOI-UHFFFAOYSA-N 1 1 336.432 3.439 10 5 EGBEMO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001194116586 1368186351 /nfs/dbraw/zinc/18/63/51/1368186351.db2.gz SWIHESJPMFGGMB-QGZVFWFLSA-N 1 1 349.431 3.428 10 5 EGBEMO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC001194116586 1368186353 /nfs/dbraw/zinc/18/63/53/1368186353.db2.gz SWIHESJPMFGGMB-QGZVFWFLSA-N 1 1 349.431 3.428 10 5 EGBEMO CC[N@@H+]1CC[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001187430316 1388106833 /nfs/dbraw/zinc/10/68/33/1388106833.db2.gz HUHCRLNWQUFKEM-INIZCTEOSA-N 1 1 339.395 3.332 10 5 EGBEMO CC[N@H+]1CC[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001187430316 1388106835 /nfs/dbraw/zinc/10/68/35/1388106835.db2.gz HUHCRLNWQUFKEM-INIZCTEOSA-N 1 1 339.395 3.332 10 5 EGBEMO C[N@@H+](CCNC(=O)CC1(C)CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266272098 1377256479 /nfs/dbraw/zinc/25/64/79/1377256479.db2.gz QIBDDLUXEWCJGT-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156827607 1380657692 /nfs/dbraw/zinc/65/76/92/1380657692.db2.gz GRPNCHUALUATHI-MRXNPFEDSA-N 1 1 333.432 3.178 10 5 EGBEMO C[C@@H]1C[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001162799512 1382876351 /nfs/dbraw/zinc/87/63/51/1382876351.db2.gz AUJHOFVVKXIMFD-PWSUYJOCSA-N 1 1 346.818 3.255 10 5 EGBEMO CC[N@H+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@H]1C ZINC001162832954 1382889448 /nfs/dbraw/zinc/88/94/48/1382889448.db2.gz LRVLKIPZKNIDDQ-LLVKDONJSA-N 1 1 334.807 3.327 10 5 EGBEMO O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001163241963 1383003565 /nfs/dbraw/zinc/00/35/65/1383003565.db2.gz JTQMZRVFLJDUDH-AWEZNQCLSA-N 1 1 344.390 3.133 10 5 EGBEMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001307134395 1383943948 /nfs/dbraw/zinc/94/39/48/1383943948.db2.gz NHQXKCCOVNODQI-GDAGCXPBSA-N 1 1 349.431 3.313 10 5 EGBEMO COc1ccc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC001308148160 1384101237 /nfs/dbraw/zinc/10/12/37/1384101237.db2.gz GTXLVLVIRQBANE-GOSISDBHSA-N 1 1 343.383 3.214 10 5 EGBEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001335885986 1388958902 /nfs/dbraw/zinc/95/89/02/1388958902.db2.gz UVNJVHZFDUWUSK-NXEZZACHSA-N 1 1 343.221 3.091 10 5 EGBEMO CC[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C(C)(C)C1 ZINC001178861363 1386332305 /nfs/dbraw/zinc/33/23/05/1386332305.db2.gz WGTJVWMCDJKYMB-CQSZACIVSA-N 1 1 339.823 3.017 10 5 EGBEMO COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]c(C)c2)cc1SC ZINC001319974383 1386428700 /nfs/dbraw/zinc/42/87/00/1386428700.db2.gz PSTYOHGMISZSIP-UHFFFAOYSA-N 1 1 347.396 3.011 10 5 EGBEMO CC(C)=C(C)CC(=O)NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001321190557 1386836285 /nfs/dbraw/zinc/83/62/85/1386836285.db2.gz VMGCPYBZFIDHDA-PLNGDYQASA-N 1 1 337.445 3.165 10 5 EGBEMO CCCC(=O)N1CCC(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001482499559 1395051910 /nfs/dbraw/zinc/05/19/10/1395051910.db2.gz QAFXAYTXMTVCHR-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CC1(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC001732134047 1428380780 /nfs/dbraw/zinc/38/07/80/1428380780.db2.gz OUWKVUXGCJPYGP-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CC(C)=C(C)CC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001707397515 1417313171 /nfs/dbraw/zinc/31/31/71/1417313171.db2.gz PVMFMOLLGLTZKI-UHFFFAOYSA-N 1 1 333.432 3.279 10 5 EGBEMO Cc1cscc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001715794460 1420346323 /nfs/dbraw/zinc/34/63/23/1420346323.db2.gz UNCRWLDRDCXCIZ-UHFFFAOYSA-N 1 1 347.440 3.169 10 5 EGBEMO Cc1cscc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001715794460 1420346325 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3.040 10 5 EGBEMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000599448909 460256274 /nfs/dbraw/zinc/25/62/74/460256274.db2.gz CZZTUFCKNKVNSA-ZDUSSCGKSA-N 1 1 343.383 3.278 10 5 EGBEMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000599448909 460256277 /nfs/dbraw/zinc/25/62/77/460256277.db2.gz CZZTUFCKNKVNSA-ZDUSSCGKSA-N 1 1 343.383 3.278 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)n2)c1 ZINC000599553023 460274035 /nfs/dbraw/zinc/27/40/35/460274035.db2.gz QPAKHUXDAGMJJP-KGLIPLIRSA-N 1 1 346.412 3.115 10 5 EGBEMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611372712 460347013 /nfs/dbraw/zinc/34/70/13/460347013.db2.gz BSDSPXVXQOOGHW-CYBMUJFWSA-N 1 1 330.363 3.012 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000611712918 460436319 /nfs/dbraw/zinc/43/63/19/460436319.db2.gz STBUTAOKNHBKRS-QZTJIDSGSA-N 1 1 349.394 3.395 10 5 EGBEMO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000604539066 460443752 /nfs/dbraw/zinc/44/37/52/460443752.db2.gz DVYIXZDPRPNDIJ-LEJCZOIISA-N 1 1 341.415 3.277 10 5 EGBEMO C[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611973691 460498789 /nfs/dbraw/zinc/49/87/89/460498789.db2.gz YTDASXFIZXHCIT-LLVKDONJSA-N 1 1 343.412 3.303 10 5 EGBEMO C[C@@](CO)([NH2+]Cc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000601150548 460733690 /nfs/dbraw/zinc/73/36/90/460733690.db2.gz ZEYLSTHKJKCRKB-INIZCTEOSA-N 1 1 338.766 3.385 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000613178526 460853286 /nfs/dbraw/zinc/85/32/86/460853286.db2.gz MQLKAPJOFFRSSH-MRXNPFEDSA-N 1 1 327.384 3.063 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601665169 460863302 /nfs/dbraw/zinc/86/33/02/460863302.db2.gz DZWANPCIBNJXMY-HNNXBMFYSA-N 1 1 345.443 3.006 10 5 EGBEMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000174451036 533890357 /nfs/dbraw/zinc/89/03/57/533890357.db2.gz MBTDPCCHPPNYIC-ZYHUDNBSSA-N 1 1 340.811 3.195 10 5 EGBEMO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000174187689 534184843 /nfs/dbraw/zinc/18/48/43/534184843.db2.gz PILRQPYPALHQQD-GOOCMWNKSA-N 1 1 332.404 3.040 10 5 EGBEMO Cc1cn(C[N@H+]2CCCCC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738225525 576302015 /nfs/dbraw/zinc/30/20/15/576302015.db2.gz FXNHCPZLWSYRQG-CQSZACIVSA-N 1 1 344.415 3.078 10 5 EGBEMO Cc1cn(C[N@@H+]2CCCCC[C@H]2C)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738225525 576302016 /nfs/dbraw/zinc/30/20/16/576302016.db2.gz FXNHCPZLWSYRQG-CQSZACIVSA-N 1 1 344.415 3.078 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871154403 1296243812 /nfs/dbraw/zinc/24/38/12/1296243812.db2.gz HDRUZEUITRIBFS-UHFFFAOYSA-N 1 1 333.432 3.076 10 5 EGBEMO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000872018370 1296659904 /nfs/dbraw/zinc/65/99/04/1296659904.db2.gz KTKMIAAIVKJZJI-NSHDSACASA-N 1 1 332.331 3.356 10 5 EGBEMO COc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000858781531 1328859737 /nfs/dbraw/zinc/85/97/37/1328859737.db2.gz WSQAKXHYNQFTLV-CYBMUJFWSA-N 1 1 335.404 3.041 10 5 EGBEMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371741 1329105645 /nfs/dbraw/zinc/10/56/45/1329105645.db2.gz FKDUIHQMGMVZMT-CYBMUJFWSA-N 1 1 337.383 3.246 10 5 EGBEMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861938536 1329451737 /nfs/dbraw/zinc/45/17/37/1329451737.db2.gz KDLFILKADJXDIU-HNNXBMFYSA-N 1 1 341.411 3.303 10 5 EGBEMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000863032613 1329524903 /nfs/dbraw/zinc/52/49/03/1329524903.db2.gz QBCZOJCEBRSCSR-RXXLQFRUSA-N 1 1 343.427 3.131 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000863339920 1329548311 /nfs/dbraw/zinc/54/83/11/1329548311.db2.gz GSSSACRRRIFNOV-XYBNCVKDSA-N 1 1 341.415 3.489 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000863339920 1329548313 /nfs/dbraw/zinc/54/83/13/1329548313.db2.gz GSSSACRRRIFNOV-XYBNCVKDSA-N 1 1 341.415 3.489 10 5 EGBEMO CC(C)c1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000865704855 1329730995 /nfs/dbraw/zinc/73/09/95/1329730995.db2.gz AYDOBNJBYUFTHE-INIZCTEOSA-N 1 1 335.429 3.172 10 5 EGBEMO C[C@H]1CCC[N@H+](C(C)(C)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001185158073 1387628936 /nfs/dbraw/zinc/62/89/36/1387628936.db2.gz KZCKXNXLXYYNFF-LBPRGKRZSA-N 1 1 331.420 3.394 10 5 EGBEMO CC(C)C[N@@H+](C)CCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001186914909 1388028275 /nfs/dbraw/zinc/02/82/75/1388028275.db2.gz RZGAQUOCORFVEJ-UHFFFAOYSA-N 1 1 334.395 3.094 10 5 EGBEMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC001127595164 1373144750 /nfs/dbraw/zinc/14/47/50/1373144750.db2.gz OWHHFSLATMFJRG-RYUDHWBXSA-N 1 1 339.823 3.111 10 5 EGBEMO CCC[N@H+]1CC[C@H](CNc2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])C1 ZINC001162258765 1382709577 /nfs/dbraw/zinc/70/95/77/1382709577.db2.gz ROMLPGNPXRGRPI-CQSZACIVSA-N 1 1 349.431 3.224 10 5 EGBEMO CC[N@H+]1CCC[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001164243282 1383170444 /nfs/dbraw/zinc/17/04/44/1383170444.db2.gz JYDZHXFNIDMXFQ-LBPRGKRZSA-N 1 1 334.807 3.115 10 5 EGBEMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001299398732 1383525630 /nfs/dbraw/zinc/52/56/30/1383525630.db2.gz NPOVCPBYDGDHCG-AWEZNQCLSA-N 1 1 345.786 3.035 10 5 EGBEMO CC[C@H](C)[N@H+](CCc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC001307439194 1383991087 /nfs/dbraw/zinc/99/10/87/1383991087.db2.gz RGAVKQVHXNJEQS-AWEZNQCLSA-N 1 1 334.395 3.274 10 5 EGBEMO C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670343 1384010447 /nfs/dbraw/zinc/01/04/47/1384010447.db2.gz RAHOISPNNNOVNE-DZGCQCFKSA-N 1 1 335.423 3.477 10 5 EGBEMO CCOc1cc(CN2CC[N@@H+](C3CCCC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001308080022 1384087366 /nfs/dbraw/zinc/08/73/66/1384087366.db2.gz SIRLQBJVVDDUMU-OAHLLOKOSA-N 1 1 347.459 3.442 10 5 EGBEMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001308084757 1384089636 /nfs/dbraw/zinc/08/96/36/1384089636.db2.gz ZWTVQEWVWLZCQJ-UHFFFAOYSA-N 1 1 332.331 3.137 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]2(CO)c2ccccc2)c(F)c1 ZINC001308161420 1384103311 /nfs/dbraw/zinc/10/33/11/1384103311.db2.gz SJXQHNQELBHHJV-SFHVURJKSA-N 1 1 330.359 3.218 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]2(CO)c2ccccc2)c(F)c1 ZINC001308161420 1384103313 /nfs/dbraw/zinc/10/33/13/1384103313.db2.gz SJXQHNQELBHHJV-SFHVURJKSA-N 1 1 330.359 3.218 10 5 EGBEMO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001312313697 1384339133 /nfs/dbraw/zinc/33/91/33/1384339133.db2.gz WXKZYEWNLCYTFB-KBRIMQKVSA-N 1 1 348.447 3.028 10 5 EGBEMO Cc1ccccc1CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001170592714 1384346568 /nfs/dbraw/zinc/34/65/68/1384346568.db2.gz GOJRRAUXZBUXPU-OAHLLOKOSA-N 1 1 341.411 3.405 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001329591175 1389170014 /nfs/dbraw/zinc/17/00/14/1389170014.db2.gz ZGGBOBCBGBVSAD-FAAHXZRKSA-N 1 1 348.353 3.051 10 5 EGBEMO Cc1cnc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111880 1390441884 /nfs/dbraw/zinc/44/18/84/1390441884.db2.gz NHWSRTCGQHSBOM-ZBFHGGJFSA-N 1 1 330.363 3.295 10 5 EGBEMO CCCC1(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001480902939 1393008693 /nfs/dbraw/zinc/00/86/93/1393008693.db2.gz NRWGBBXYQKQCBJ-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CCCC1(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001480902939 1393008700 /nfs/dbraw/zinc/00/87/00/1393008700.db2.gz NRWGBBXYQKQCBJ-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@@H+](CCNC(=O)C(C)(C)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001492963494 1396329954 /nfs/dbraw/zinc/32/99/54/1396329954.db2.gz UMXSFWBQNNHFQA-UHFFFAOYSA-N 1 1 335.448 3.215 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1cc(C)oc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713480686 1418166061 /nfs/dbraw/zinc/16/60/61/1418166061.db2.gz HFZAHKGIZWBEGQ-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO O=C(CC1CCCC1)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001713552571 1418337895 /nfs/dbraw/zinc/33/78/95/1418337895.db2.gz FLHMGSQDUNYJQE-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO O=C(CC1CCCC1)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001713552571 1418337903 /nfs/dbraw/zinc/33/79/03/1418337903.db2.gz FLHMGSQDUNYJQE-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO CC[N@H+](CCNC(=O)/C=C/C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001714577334 1419314673 /nfs/dbraw/zinc/31/46/73/1419314673.db2.gz BLSDGXHQGKALPH-ZHACJKMWSA-N 1 1 333.432 3.135 10 5 EGBEMO CC[N@@H+](CCNC(=O)/C=C/C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001714577334 1419314675 /nfs/dbraw/zinc/31/46/75/1419314675.db2.gz BLSDGXHQGKALPH-ZHACJKMWSA-N 1 1 333.432 3.135 10 5 EGBEMO CC(C)(C)CC(=O)NCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001725806579 1426485167 /nfs/dbraw/zinc/48/51/67/1426485167.db2.gz CYJXGKYBOQZDQO-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CC(C)(C)CC(=O)NCC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001725806579 1426485169 /nfs/dbraw/zinc/48/51/69/1426485169.db2.gz CYJXGKYBOQZDQO-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CCC(C)(C)C(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001734631802 1438194048 /nfs/dbraw/zinc/19/40/48/1438194048.db2.gz WLXRSCRGCRHVCF-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CCC(C)(C)C(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001734631802 1438194049 /nfs/dbraw/zinc/19/40/49/1438194049.db2.gz WLXRSCRGCRHVCF-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000174757285 231300595 /nfs/dbraw/zinc/30/05/95/231300595.db2.gz PASPPPMJBPYCOB-CABCVRRESA-N 1 1 346.431 3.382 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245979673 243177971 /nfs/dbraw/zinc/17/79/71/243177971.db2.gz GTXUGHGGJUOIKE-WFASDCNBSA-N 1 1 334.420 3.097 10 5 EGBEMO COc1cc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000305820064 154132115 /nfs/dbraw/zinc/13/21/15/154132115.db2.gz KZZMGRBFGFKIOS-INIZCTEOSA-N 1 1 330.384 3.159 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000349071662 156342336 /nfs/dbraw/zinc/34/23/36/156342336.db2.gz GOJLDECCTBYNOK-INIZCTEOSA-N 1 1 328.368 3.175 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110347973 162124436 /nfs/dbraw/zinc/12/44/36/162124436.db2.gz DYNNSPNGFORRLU-HNNXBMFYSA-N 1 1 341.411 3.154 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c(F)c1 ZINC000352047183 165208650 /nfs/dbraw/zinc/20/86/50/165208650.db2.gz KSEDFHVHLNBHHP-MRXNPFEDSA-N 1 1 326.343 3.266 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(F)c1 ZINC000352047183 165208652 /nfs/dbraw/zinc/20/86/52/165208652.db2.gz KSEDFHVHLNBHHP-MRXNPFEDSA-N 1 1 326.343 3.266 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000355114258 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330.409 3.280 10 5 EGBEMO CCC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000441658720 458969221 /nfs/dbraw/zinc/96/92/21/458969221.db2.gz WROHEGPONZYAEU-DOTOQJQBSA-N 1 1 336.432 3.235 10 5 EGBEMO CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000590052774 459072359 /nfs/dbraw/zinc/07/23/59/459072359.db2.gz LFOFBXNEKGVLIB-YOEHRIQHSA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000590052774 459072365 /nfs/dbraw/zinc/07/23/65/459072365.db2.gz LFOFBXNEKGVLIB-YOEHRIQHSA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000590052774 459072370 /nfs/dbraw/zinc/07/23/70/459072370.db2.gz LFOFBXNEKGVLIB-YOEHRIQHSA-N 1 1 343.452 3.459 10 5 EGBEMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595296468 459270891 /nfs/dbraw/zinc/27/08/91/459270891.db2.gz DLRYJYHKAXDVEA-AWEZNQCLSA-N 1 1 331.372 3.107 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000595501364 459326114 /nfs/dbraw/zinc/32/61/14/459326114.db2.gz OMQBRERMJRSXDG-HNNXBMFYSA-N 1 1 327.384 3.378 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000595732762 459418408 /nfs/dbraw/zinc/41/84/08/459418408.db2.gz KFIXVEANDRDNOY-BFYDXBDKSA-N 1 1 332.400 3.149 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CCF)C1 ZINC000595755962 459427592 /nfs/dbraw/zinc/42/75/92/459427592.db2.gz RXAPIAWHVBRZGI-CQSZACIVSA-N 1 1 337.395 3.303 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596423679 459632363 /nfs/dbraw/zinc/63/23/63/459632363.db2.gz OGLZGHRBANCBRG-QGZVFWFLSA-N 1 1 341.411 3.082 10 5 EGBEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000592797616 459692387 /nfs/dbraw/zinc/69/23/87/459692387.db2.gz HBADIEOCHBNZCI-AWEZNQCLSA-N 1 1 344.415 3.006 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cccc(OC)c2)c1 ZINC000593020561 459742567 /nfs/dbraw/zinc/74/25/67/459742567.db2.gz OQAYHYRMEAGBJO-GFCCVEGCSA-N 1 1 344.367 3.241 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596838153 459775422 /nfs/dbraw/zinc/77/54/22/459775422.db2.gz KDEAGOMPNWIJBG-ZDUSSCGKSA-N 1 1 334.420 3.206 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@H+](C)CC(C)C ZINC000593168627 459794264 /nfs/dbraw/zinc/79/42/64/459794264.db2.gz NXWOZTOVDBPHCG-UHFFFAOYSA-N 1 1 336.436 3.311 10 5 EGBEMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC1(F)F ZINC000588232680 459934669 /nfs/dbraw/zinc/93/46/69/459934669.db2.gz VUXMPHWCKDBQRB-MFKMUULPSA-N 1 1 327.331 3.089 10 5 EGBEMO CC[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598943373 460098201 /nfs/dbraw/zinc/09/82/01/460098201.db2.gz SOCJYAFAHRERNH-ZWKOTPCHSA-N 1 1 339.395 3.349 10 5 EGBEMO CN1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000598971822 460109500 /nfs/dbraw/zinc/10/95/00/460109500.db2.gz GGTUJUWEFGYIOA-CQSZACIVSA-N 1 1 325.840 3.253 10 5 EGBEMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2sccc2[N+](=O)[O-])cc1 ZINC000599138865 460172842 /nfs/dbraw/zinc/17/28/42/460172842.db2.gz HSJYTKYXCKGOPK-ZDUSSCGKSA-N 1 1 333.413 3.351 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@H]2CNc2sccc2[N+](=O)[O-])cc1 ZINC000599138865 460172849 /nfs/dbraw/zinc/17/28/49/460172849.db2.gz HSJYTKYXCKGOPK-ZDUSSCGKSA-N 1 1 333.413 3.351 10 5 EGBEMO Cc1cn2c([nH+]1)C[C@H](c1nc(-c3cc(C)cc([N+](=O)[O-])c3)no1)CC2 ZINC000599163585 460181935 /nfs/dbraw/zinc/18/19/35/460181935.db2.gz DXZJXPHTESZAGL-GFCCVEGCSA-N 1 1 339.355 3.188 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599676072 460306720 /nfs/dbraw/zinc/30/67/20/460306720.db2.gz XQEDNVDKOZVRNY-UGSOOPFHSA-N 1 1 347.415 3.197 10 5 EGBEMO CCOc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000617219542 460776754 /nfs/dbraw/zinc/77/67/54/460776754.db2.gz OIRCNOSNMBWUOR-LBPRGKRZSA-N 1 1 330.331 3.197 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000617219542 460776756 /nfs/dbraw/zinc/77/67/56/460776756.db2.gz OIRCNOSNMBWUOR-LBPRGKRZSA-N 1 1 330.331 3.197 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000191392689 534054725 /nfs/dbraw/zinc/05/47/25/534054725.db2.gz KLWFZQCEOUXFII-CQSZACIVSA-N 1 1 334.420 3.208 10 5 EGBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCc1ccc(F)cc1 ZINC000055022839 546556403 /nfs/dbraw/zinc/55/64/03/546556403.db2.gz BQJYIRCUWDQNTJ-ZDUSSCGKSA-N 1 1 345.374 3.235 10 5 EGBEMO Cc1noc2ncc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cc12 ZINC000894739845 1309046184 /nfs/dbraw/zinc/04/61/84/1309046184.db2.gz UFQZSHJNFNMDSX-UHFFFAOYSA-N 1 1 326.356 3.114 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000858035987 1328666492 /nfs/dbraw/zinc/66/64/92/1328666492.db2.gz CGZDFTDGMHZBEK-ZDUSSCGKSA-N 1 1 331.347 3.091 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nc1 ZINC000858035987 1328666496 /nfs/dbraw/zinc/66/64/96/1328666496.db2.gz CGZDFTDGMHZBEK-ZDUSSCGKSA-N 1 1 331.347 3.091 10 5 EGBEMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859556231 1329017247 /nfs/dbraw/zinc/01/72/47/1329017247.db2.gz IMMFOSBXQNLDNC-UGSOOPFHSA-N 1 1 341.411 3.160 10 5 EGBEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931660279 1329160000 /nfs/dbraw/zinc/16/00/00/1329160000.db2.gz DTUIDHVWGPOYIK-GFCCVEGCSA-N 1 1 341.839 3.027 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000925235756 1325090164 /nfs/dbraw/zinc/09/01/64/1325090164.db2.gz IHQMVGOQPZLXKF-VBQJREDUSA-N 1 1 348.447 3.028 10 5 EGBEMO C[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000927031248 1327825429 /nfs/dbraw/zinc/82/54/29/1327825429.db2.gz WVBPJNHJUVZVOA-INWMFGNUSA-N 1 1 346.456 3.291 10 5 EGBEMO CCCC[N@@H+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC001185312833 1387679008 /nfs/dbraw/zinc/67/90/08/1387679008.db2.gz IJNGPUKIDSODTA-UHFFFAOYSA-N 1 1 343.811 3.179 10 5 EGBEMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001185565332 1387750880 /nfs/dbraw/zinc/75/08/80/1387750880.db2.gz NWTMBTOVHKRIBS-ZDUSSCGKSA-N 1 1 334.376 3.179 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001196771836 1368680650 /nfs/dbraw/zinc/68/06/50/1368680650.db2.gz HDXLIIRIVPXXCL-HKUYNNGSSA-N 1 1 342.395 3.301 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001197798087 1368900619 /nfs/dbraw/zinc/90/06/19/1368900619.db2.gz LKJSUCVJIWPFOI-AWEZNQCLSA-N 1 1 333.432 3.052 10 5 EGBEMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC001186905450 1388027243 /nfs/dbraw/zinc/02/72/43/1388027243.db2.gz GEIWPPAECVAVSC-HRCADAONSA-N 1 1 340.427 3.478 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001287941652 1381431841 /nfs/dbraw/zinc/43/18/41/1381431841.db2.gz AANQKGCOMKNLTQ-KRWDZBQOSA-N 1 1 345.443 3.430 10 5 EGBEMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001162258359 1382708699 /nfs/dbraw/zinc/70/86/99/1382708699.db2.gz JYTOTQNBTDXZQM-OCCSQVGLSA-N 1 1 349.431 3.222 10 5 EGBEMO C[C@H]1C[C@H](Nc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001162799511 1382876078 /nfs/dbraw/zinc/87/60/78/1382876078.db2.gz AUJHOFVVKXIMFD-JQWIXIFHSA-N 1 1 346.818 3.255 10 5 EGBEMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1(C)C ZINC001163629687 1383091938 /nfs/dbraw/zinc/09/19/38/1383091938.db2.gz NZQJXOHGQKNDLY-UHFFFAOYSA-N 1 1 344.390 3.326 10 5 EGBEMO Cc1ccc(NCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[nH+]c1 ZINC001164200699 1383165443 /nfs/dbraw/zinc/16/54/43/1383165443.db2.gz FSIQQCASGUMLFI-UHFFFAOYSA-N 1 1 341.293 3.236 10 5 EGBEMO Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001306914127 1383919744 /nfs/dbraw/zinc/91/97/44/1383919744.db2.gz MZHCNWLXAJATQB-UHFFFAOYSA-N 1 1 347.440 3.166 10 5 EGBEMO CCc1[nH+]ccn1CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001307206688 1383957244 /nfs/dbraw/zinc/95/72/44/1383957244.db2.gz DCLFIKCAEXYPNA-UHFFFAOYSA-N 1 1 345.790 3.089 10 5 EGBEMO CC[C@](O)(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC001307538034 1383998198 /nfs/dbraw/zinc/99/81/98/1383998198.db2.gz QEPOOOOANIDCSW-AWEZNQCLSA-N 1 1 332.322 3.263 10 5 EGBEMO CC[C@](O)(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC001307538034 1383998200 /nfs/dbraw/zinc/99/82/00/1383998200.db2.gz QEPOOOOANIDCSW-AWEZNQCLSA-N 1 1 332.322 3.263 10 5 EGBEMO COc1ccc(OCC[N@H+]2CC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001307856374 1384044212 /nfs/dbraw/zinc/04/42/12/1384044212.db2.gz KAQVWFAJQWHJAP-OAHLLOKOSA-N 1 1 334.416 3.494 10 5 EGBEMO COC(=O)[C@H]1CCCC[C@H]1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169665706 1384170555 /nfs/dbraw/zinc/17/05/55/1384170555.db2.gz FIJABZKZZMDRJV-RDJZCZTQSA-N 1 1 334.416 3.049 10 5 EGBEMO O=C(NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC=CC1 ZINC001316914704 1384685174 /nfs/dbraw/zinc/68/51/74/1384685174.db2.gz QZIHQVUFFBTVDE-UHFFFAOYSA-N 1 1 343.427 3.032 10 5 EGBEMO C/C=C\C[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001175054184 1385186730 /nfs/dbraw/zinc/18/67/30/1385186730.db2.gz RKPLNUMDQXSQIZ-GWQWAINWSA-N 1 1 343.427 3.162 10 5 EGBEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001321117445 1386814243 /nfs/dbraw/zinc/81/42/43/1386814243.db2.gz HASRGEZSBLUSKR-NXEZZACHSA-N 1 1 343.221 3.091 10 5 EGBEMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001322466176 1387191154 /nfs/dbraw/zinc/19/11/54/1387191154.db2.gz ONWVASLJCJQZMO-CXAGYDPISA-N 1 1 346.456 3.277 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cc(C)oc2C)c1 ZINC001346118696 1390909046 /nfs/dbraw/zinc/90/90/46/1390909046.db2.gz WGGIGJUPMMJWDY-NSHDSACASA-N 1 1 332.356 3.442 10 5 EGBEMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4ccccc4c4cccnc34)[C@@H]2C1 ZINC001350915938 1391557830 /nfs/dbraw/zinc/55/78/30/1391557830.db2.gz OBBMOIPXVXOBDZ-BEVDRBHNSA-N 1 1 345.446 3.458 10 5 EGBEMO CC(C)=CC(=O)NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001481345226 1393169616 /nfs/dbraw/zinc/16/96/16/1393169616.db2.gz LGZAADLHOYVYSM-UHFFFAOYSA-N 1 1 333.432 3.278 10 5 EGBEMO CC1(CC(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CCCC1 ZINC001494545638 1396465023 /nfs/dbraw/zinc/46/50/23/1396465023.db2.gz FEMFMCKBAZUOOK-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CC(C)CC(C)(C)C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001494610949 1396486666 /nfs/dbraw/zinc/48/66/66/1396486666.db2.gz DRMDAQSUOFCLMP-UHFFFAOYSA-N 1 1 347.459 3.215 10 5 EGBEMO CC(C)[N@@H+](CCCNC(=O)C(C)(C)F)Cc1ccccc1[N+](=O)[O-] ZINC001713684086 1418436887 /nfs/dbraw/zinc/43/68/87/1418436887.db2.gz JFFBMNQQINQKDS-UHFFFAOYSA-N 1 1 339.411 3.060 10 5 EGBEMO CC(C)=C(C)CC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001715917818 1420396648 /nfs/dbraw/zinc/39/66/48/1420396648.db2.gz CYCOFPBVQJGJCK-UHFFFAOYSA-N 1 1 333.432 3.231 10 5 EGBEMO CC(C)=C(C)CC(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001715917818 1420396649 /nfs/dbraw/zinc/39/66/49/1420396649.db2.gz CYCOFPBVQJGJCK-UHFFFAOYSA-N 1 1 333.432 3.231 10 5 EGBEMO Cc1ccoc1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001717203779 1421172875 /nfs/dbraw/zinc/17/28/75/1421172875.db2.gz DYVMGEIJPLUBDL-UHFFFAOYSA-N 1 1 345.399 3.090 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247167694 243386018 /nfs/dbraw/zinc/38/60/18/243386018.db2.gz VBNWDIWLRUOPQD-OFQRWUPVSA-N 1 1 348.447 3.088 10 5 EGBEMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000173759559 144048370 /nfs/dbraw/zinc/04/83/70/144048370.db2.gz RFDMNAMPTVUTBB-AWEZNQCLSA-N 1 1 332.356 3.412 10 5 EGBEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275407 152054842 /nfs/dbraw/zinc/05/48/42/152054842.db2.gz OLBJUKYAVSHQEA-ZDUSSCGKSA-N 1 1 349.822 3.239 10 5 EGBEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275407 152054846 /nfs/dbraw/zinc/05/48/46/152054846.db2.gz OLBJUKYAVSHQEA-ZDUSSCGKSA-N 1 1 349.822 3.239 10 5 EGBEMO COc1cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000305787001 154121224 /nfs/dbraw/zinc/12/12/24/154121224.db2.gz AATFXIQJILMFCT-KRWDZBQOSA-N 1 1 342.395 3.085 10 5 EGBEMO Cc1sc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110356463 162125096 /nfs/dbraw/zinc/12/50/96/162125096.db2.gz HKNXZDNYXNWEJM-GFCCVEGCSA-N 1 1 347.440 3.215 10 5 EGBEMO CC[N@H+]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113326585 162208887 /nfs/dbraw/zinc/20/88/87/162208887.db2.gz VNBQZLFOAUUZMY-AWEZNQCLSA-N 1 1 346.456 3.292 10 5 EGBEMO CCN1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113326585 162208889 /nfs/dbraw/zinc/20/88/89/162208889.db2.gz VNBQZLFOAUUZMY-AWEZNQCLSA-N 1 1 346.456 3.292 10 5 EGBEMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960094 164073063 /nfs/dbraw/zinc/07/30/63/164073063.db2.gz HTSMDJBEMPLUHC-TZMCWYRMSA-N 1 1 347.415 3.052 10 5 EGBEMO C[N@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000352094366 165232240 /nfs/dbraw/zinc/23/22/40/165232240.db2.gz ZNEWZOCXXRFYSH-QZTJIDSGSA-N 1 1 329.375 3.269 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000359096910 167065255 /nfs/dbraw/zinc/06/52/55/167065255.db2.gz LEGCGGVHCPIJLU-WBVHZDCISA-N 1 1 326.400 3.464 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000359095917 167065456 /nfs/dbraw/zinc/06/54/56/167065456.db2.gz KWLUOVYIHHEVSI-QGZVFWFLSA-N 1 1 340.427 3.317 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359557213 167191777 /nfs/dbraw/zinc/19/17/77/167191777.db2.gz MYMHYWAPLJIPQV-ACJLOTCBSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359557213 167191779 /nfs/dbraw/zinc/19/17/79/167191779.db2.gz MYMHYWAPLJIPQV-ACJLOTCBSA-N 1 1 347.415 3.054 10 5 EGBEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000160223884 225365871 /nfs/dbraw/zinc/36/58/71/225365871.db2.gz RKEOFOFVWDBCOZ-KSSFIOAISA-N 1 1 341.411 3.020 10 5 EGBEMO C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000342286238 274245391 /nfs/dbraw/zinc/24/53/91/274245391.db2.gz VQWYDZYNMIXIFO-SNVBAGLBSA-N 1 1 335.310 3.162 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000245519658 281021480 /nfs/dbraw/zinc/02/14/80/281021480.db2.gz ITZRNNQMBVHQPB-HOTGVXAUSA-N 1 1 347.459 3.149 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000245519658 281021482 /nfs/dbraw/zinc/02/14/82/281021482.db2.gz ITZRNNQMBVHQPB-HOTGVXAUSA-N 1 1 347.459 3.149 10 5 EGBEMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCCO1 ZINC000072610702 307380475 /nfs/dbraw/zinc/38/04/75/307380475.db2.gz PSAQJFVFNWWOIV-MRXNPFEDSA-N 1 1 349.431 3.123 10 5 EGBEMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCCO1 ZINC000072610702 307380477 /nfs/dbraw/zinc/38/04/77/307380477.db2.gz PSAQJFVFNWWOIV-MRXNPFEDSA-N 1 1 349.431 3.123 10 5 EGBEMO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C ZINC000249148934 308020311 /nfs/dbraw/zinc/02/03/11/308020311.db2.gz GWNDBJGIXHEQOP-QMTHXVAHSA-N 1 1 330.331 3.053 10 5 EGBEMO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1C ZINC000249148934 308020313 /nfs/dbraw/zinc/02/03/13/308020313.db2.gz GWNDBJGIXHEQOP-QMTHXVAHSA-N 1 1 330.331 3.053 10 5 EGBEMO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414933861 309110054 /nfs/dbraw/zinc/11/00/54/309110054.db2.gz DTIRINZGDASDLS-WFASDCNBSA-N 1 1 331.441 3.411 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](O)CC34CCC4)co2)cc1 ZINC000420988916 309306257 /nfs/dbraw/zinc/30/62/57/309306257.db2.gz BETPSVPVRXXFNH-MRXNPFEDSA-N 1 1 343.383 3.129 10 5 EGBEMO COc1ccc(CN[C@@H](CC(C)C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000449382440 310057864 /nfs/dbraw/zinc/05/78/64/310057864.db2.gz COCFFTIPDPUVLT-INIZCTEOSA-N 1 1 335.448 3.204 10 5 EGBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449421998 310060698 /nfs/dbraw/zinc/06/06/98/310060698.db2.gz MHSGEYAKJBEUSZ-RHSMWYFYSA-N 1 1 330.384 3.448 10 5 EGBEMO COc1cc(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000449447866 310062705 /nfs/dbraw/zinc/06/27/05/310062705.db2.gz CHYMJBLBDNYPKF-MOMAJJCNSA-N 1 1 344.411 3.256 10 5 EGBEMO Cc1c(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271622 310169023 /nfs/dbraw/zinc/16/90/23/310169023.db2.gz VFQULMBQYVGANM-IEBWSBKVSA-N 1 1 344.386 3.203 10 5 EGBEMO Cc1c(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271622 310169024 /nfs/dbraw/zinc/16/90/24/310169024.db2.gz VFQULMBQYVGANM-IEBWSBKVSA-N 1 1 344.386 3.203 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451351285 310173687 /nfs/dbraw/zinc/17/36/87/310173687.db2.gz ITTDDCIWPIGHKE-BBWFWOEESA-N 1 1 334.416 3.119 10 5 EGBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376938 310175049 /nfs/dbraw/zinc/17/50/49/310175049.db2.gz WNHLRYMMMLMJAE-JRWXATFMSA-N 1 1 341.411 3.066 10 5 EGBEMO C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000538228293 314233317 /nfs/dbraw/zinc/23/33/17/314233317.db2.gz SGXATDVEFOUTMN-CQSZACIVSA-N 1 1 333.432 3.284 10 5 EGBEMO Cc1[nH+]ccn1CCCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000563039344 315947873 /nfs/dbraw/zinc/94/78/73/315947873.db2.gz VGLKMWFJJYXQBB-UHFFFAOYSA-N 1 1 329.404 3.266 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000578771018 325016622 /nfs/dbraw/zinc/01/66/22/325016622.db2.gz CGJBTHGWVIAKRN-ZGUWOUCSSA-N 1 1 334.441 3.206 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000579805335 325160988 /nfs/dbraw/zinc/16/09/88/325160988.db2.gz KNNQSNKGOYLUSV-KRWDZBQOSA-N 1 1 334.416 3.261 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cs1 ZINC000084133575 453971137 /nfs/dbraw/zinc/97/11/37/453971137.db2.gz FSCLRRIJKUUJAT-INIZCTEOSA-N 1 1 332.425 3.490 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cs1 ZINC000084133575 453971140 /nfs/dbraw/zinc/97/11/40/453971140.db2.gz FSCLRRIJKUUJAT-INIZCTEOSA-N 1 1 332.425 3.490 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952161 454245799 /nfs/dbraw/zinc/24/57/99/454245799.db2.gz MGTHXJFCGQXCMC-OLZOCXBDSA-N 1 1 340.420 3.220 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952161 454245803 /nfs/dbraw/zinc/24/58/03/454245803.db2.gz MGTHXJFCGQXCMC-OLZOCXBDSA-N 1 1 340.420 3.220 10 5 EGBEMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551283 454320209 /nfs/dbraw/zinc/32/02/09/454320209.db2.gz RHEBNGXLOYIRBV-CZUORRHYSA-N 1 1 345.399 3.131 10 5 EGBEMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120651009 454330490 /nfs/dbraw/zinc/33/04/90/454330490.db2.gz YFGOVLIEGVHXDN-HNNXBMFYSA-N 1 1 343.383 3.085 10 5 EGBEMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000079923339 454500414 /nfs/dbraw/zinc/50/04/14/454500414.db2.gz JPUYZKNFLMAPNY-NHYWBVRUSA-N 1 1 334.397 3.296 10 5 EGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000105896210 454664731 /nfs/dbraw/zinc/66/47/31/454664731.db2.gz SQIULBHAIBMFER-INIZCTEOSA-N 1 1 332.379 3.421 10 5 EGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000105896210 454664735 /nfs/dbraw/zinc/66/47/35/454664735.db2.gz SQIULBHAIBMFER-INIZCTEOSA-N 1 1 332.379 3.421 10 5 EGBEMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000105895859 454665387 /nfs/dbraw/zinc/66/53/87/454665387.db2.gz FQOPWQOWUWRDEH-OAHLLOKOSA-N 1 1 344.415 3.291 10 5 EGBEMO COc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000105895859 454665389 /nfs/dbraw/zinc/66/53/89/454665389.db2.gz FQOPWQOWUWRDEH-OAHLLOKOSA-N 1 1 344.415 3.291 10 5 EGBEMO Cc1cnn([C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000106219851 454685427 /nfs/dbraw/zinc/68/54/27/454685427.db2.gz NJTOGCCMWVAMAL-QGZVFWFLSA-N 1 1 344.415 3.206 10 5 EGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000135680830 454697556 /nfs/dbraw/zinc/69/75/56/454697556.db2.gz CBLBABRQJYEYAR-AWEZNQCLSA-N 1 1 349.456 3.017 10 5 EGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000135680830 454697558 /nfs/dbraw/zinc/69/75/58/454697558.db2.gz CBLBABRQJYEYAR-AWEZNQCLSA-N 1 1 349.456 3.017 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000141513364 454829595 /nfs/dbraw/zinc/82/95/95/454829595.db2.gz KXGTVBMDGJSQQI-CQSZACIVSA-N 1 1 349.431 3.443 10 5 EGBEMO COCc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000154952124 454946788 /nfs/dbraw/zinc/94/67/88/454946788.db2.gz BWENQRIHQCRVSJ-AWEZNQCLSA-N 1 1 333.432 3.194 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000178869069 454985972 /nfs/dbraw/zinc/98/59/72/454985972.db2.gz QKILVPXVTMIGGB-IBGZPJMESA-N 1 1 337.379 3.168 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000178869069 454985977 /nfs/dbraw/zinc/98/59/77/454985977.db2.gz QKILVPXVTMIGGB-IBGZPJMESA-N 1 1 337.379 3.168 10 5 EGBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172055162 455114494 /nfs/dbraw/zinc/11/44/94/455114494.db2.gz GNHUWKSQDQGBTA-SMDDNHRTSA-N 1 1 345.424 3.118 10 5 EGBEMO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000180155275 455141147 /nfs/dbraw/zinc/14/11/47/455141147.db2.gz UXOSDOSZEOQXDE-FUHWJXTLSA-N 1 1 339.395 3.078 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000175895875 455512575 /nfs/dbraw/zinc/51/25/75/455512575.db2.gz GWDNUYXZSFHKHA-RISCZKNCSA-N 1 1 339.823 3.051 10 5 EGBEMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000284833498 455750438 /nfs/dbraw/zinc/75/04/38/455750438.db2.gz QNRGBFGWAHFOGP-CYBMUJFWSA-N 1 1 339.823 3.129 10 5 EGBEMO Cc1cccc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285433963 455845053 /nfs/dbraw/zinc/84/50/53/455845053.db2.gz WXTMBHPGTOMGSH-UHFFFAOYSA-N 1 1 327.384 3.016 10 5 EGBEMO Cc1cccc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285433963 455845054 /nfs/dbraw/zinc/84/50/54/455845054.db2.gz WXTMBHPGTOMGSH-UHFFFAOYSA-N 1 1 327.384 3.016 10 5 EGBEMO C[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000270800795 456042165 /nfs/dbraw/zinc/04/21/65/456042165.db2.gz UGIUXMTYQHPJRH-ZFWWWQNUSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000270800795 456042167 /nfs/dbraw/zinc/04/21/67/456042167.db2.gz UGIUXMTYQHPJRH-ZFWWWQNUSA-N 1 1 334.326 3.125 10 5 EGBEMO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903504 456247314 /nfs/dbraw/zinc/24/73/14/456247314.db2.gz OYBMHBZWTSVIBX-PBHICJAKSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903504 456247321 /nfs/dbraw/zinc/24/73/21/456247321.db2.gz OYBMHBZWTSVIBX-PBHICJAKSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000290143310 456251499 /nfs/dbraw/zinc/25/14/99/456251499.db2.gz OFSATSCJUBDSPO-GOSISDBHSA-N 1 1 331.391 3.435 10 5 EGBEMO COc1cc(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000352776270 456296932 /nfs/dbraw/zinc/29/69/32/456296932.db2.gz BFNMQZDONHVMQH-HNNXBMFYSA-N 1 1 344.411 3.377 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000353433671 456695801 /nfs/dbraw/zinc/69/58/01/456695801.db2.gz HIAUJCXEXIJPTD-SFHVURJKSA-N 1 1 336.395 3.250 10 5 EGBEMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000326741597 456699732 /nfs/dbraw/zinc/69/97/32/456699732.db2.gz VANWISBXCQXEFP-INMHGKMJSA-N 1 1 334.416 3.119 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000330407890 457040294 /nfs/dbraw/zinc/04/02/94/457040294.db2.gz ZYVIIIMMIBNTKU-UHFFFAOYSA-N 1 1 333.432 3.240 10 5 EGBEMO COc1cc(CN2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000352541348 457451066 /nfs/dbraw/zinc/45/10/66/457451066.db2.gz WWLZRHSHIYUDLS-UHFFFAOYSA-N 1 1 333.432 3.054 10 5 EGBEMO COCC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342722885 457478988 /nfs/dbraw/zinc/47/89/88/457478988.db2.gz DQWIVUFIZQYWDJ-HUUCEWRRSA-N 1 1 349.431 3.060 10 5 EGBEMO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000443334141 457749717 /nfs/dbraw/zinc/74/97/17/457749717.db2.gz PXRIAFBNIMGMFD-UHFFFAOYSA-N 1 1 334.416 3.397 10 5 EGBEMO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000426373706 457814416 /nfs/dbraw/zinc/81/44/16/457814416.db2.gz UFQAJTZPLYEANF-UKTHLTGXSA-N 1 1 325.368 3.157 10 5 EGBEMO COCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCOC1 ZINC000426527360 457849448 /nfs/dbraw/zinc/84/94/48/457849448.db2.gz XZGSUXKDGQEEKU-CQSZACIVSA-N 1 1 346.383 3.092 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000411292203 457851826 /nfs/dbraw/zinc/85/18/26/457851826.db2.gz DPMJFEJWUUOONY-OLZOCXBDSA-N 1 1 335.404 3.052 10 5 EGBEMO CCC[N@@H+](C[C@H]1CCCCO1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366335 457866169 /nfs/dbraw/zinc/86/61/69/457866169.db2.gz JHVRAPQMOYNLIM-LSDHHAIUSA-N 1 1 349.431 3.203 10 5 EGBEMO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458122216 457938443 /nfs/dbraw/zinc/93/84/43/457938443.db2.gz HHPASVMGJFNGGZ-AWEZNQCLSA-N 1 1 348.447 3.220 10 5 EGBEMO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000434958545 458070138 /nfs/dbraw/zinc/07/01/38/458070138.db2.gz NQHWMCSWSHKEQW-OAHLLOKOSA-N 1 1 346.818 3.354 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000428453201 458145695 /nfs/dbraw/zinc/14/56/95/458145695.db2.gz ARKOQBOKNGMMCK-YVEFUNNKSA-N 1 1 346.383 3.066 10 5 EGBEMO CC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000429285555 458307097 /nfs/dbraw/zinc/30/70/97/458307097.db2.gz OLMRUOGZIFWPPI-LLVKDONJSA-N 1 1 330.331 3.232 10 5 EGBEMO CC[C@@H]1CC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000429285555 458307103 /nfs/dbraw/zinc/30/71/03/458307103.db2.gz OLMRUOGZIFWPPI-LLVKDONJSA-N 1 1 330.331 3.232 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000430211492 458422449 /nfs/dbraw/zinc/42/24/49/458422449.db2.gz ALGSQDKGGYAQHA-LLVKDONJSA-N 1 1 330.340 3.183 10 5 EGBEMO CO[C@@H]1CC[C@@H]2OCC[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000470172685 458621358 /nfs/dbraw/zinc/62/13/58/458621358.db2.gz AEPIEGHIXQVSDU-JVMYSYBCSA-N 1 1 346.427 3.266 10 5 EGBEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000470172685 458621364 /nfs/dbraw/zinc/62/13/64/458621364.db2.gz AEPIEGHIXQVSDU-JVMYSYBCSA-N 1 1 346.427 3.266 10 5 EGBEMO C[N@H+]1CCCC[C@H]1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000431859792 458635023 /nfs/dbraw/zinc/63/50/23/458635023.db2.gz SIEVEWLWUPEIPU-INIZCTEOSA-N 1 1 345.443 3.350 10 5 EGBEMO COc1ccc(NC(=O)C[NH+]2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000530466514 458774180 /nfs/dbraw/zinc/77/41/80/458774180.db2.gz LCQUNGDNGOEEML-UHFFFAOYSA-N 1 1 349.431 3.300 10 5 EGBEMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548126341 458841928 /nfs/dbraw/zinc/84/19/28/458841928.db2.gz AKADDBGENXSORQ-CYBMUJFWSA-N 1 1 339.823 3.195 10 5 EGBEMO CCOC(=O)c1cc(NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000467745887 458985008 /nfs/dbraw/zinc/98/50/08/458985008.db2.gz GVYJZUHWWUQTTQ-ZDUSSCGKSA-N 1 1 335.404 3.058 10 5 EGBEMO CN1C[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000590052772 459071533 /nfs/dbraw/zinc/07/15/33/459071533.db2.gz LFOFBXNEKGVLIB-RHSMWYFYSA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000590052772 459071539 /nfs/dbraw/zinc/07/15/39/459071539.db2.gz LFOFBXNEKGVLIB-RHSMWYFYSA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@H+]1C[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000590052772 459071545 /nfs/dbraw/zinc/07/15/45/459071545.db2.gz LFOFBXNEKGVLIB-RHSMWYFYSA-N 1 1 343.452 3.459 10 5 EGBEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000532478363 459097418 /nfs/dbraw/zinc/09/74/18/459097418.db2.gz QYDWUMLUQZIMPI-JQFCIGGWSA-N 1 1 332.400 3.209 10 5 EGBEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000532478363 459097423 /nfs/dbraw/zinc/09/74/23/459097423.db2.gz QYDWUMLUQZIMPI-JQFCIGGWSA-N 1 1 332.400 3.209 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590602836 459159543 /nfs/dbraw/zinc/15/95/43/459159543.db2.gz YTNOSFPLSPQMIP-CQSZACIVSA-N 1 1 327.384 3.378 10 5 EGBEMO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594959282 459193658 /nfs/dbraw/zinc/19/36/58/459193658.db2.gz BECHHHABMWPHCR-CYBMUJFWSA-N 1 1 343.374 3.159 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594959282 459193664 /nfs/dbraw/zinc/19/36/64/459193664.db2.gz BECHHHABMWPHCR-CYBMUJFWSA-N 1 1 343.374 3.159 10 5 EGBEMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000522886813 459269293 /nfs/dbraw/zinc/26/92/93/459269293.db2.gz OHRPXVYASOFJGF-CYBMUJFWSA-N 1 1 339.461 3.349 10 5 EGBEMO COc1cccc([C@@]2(C)CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)c1 ZINC000595770422 459433882 /nfs/dbraw/zinc/43/38/82/459433882.db2.gz VKUPRPKVUFTBGJ-KRWDZBQOSA-N 1 1 331.372 3.063 10 5 EGBEMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)c1 ZINC000595770422 459433884 /nfs/dbraw/zinc/43/38/84/459433884.db2.gz VKUPRPKVUFTBGJ-KRWDZBQOSA-N 1 1 331.372 3.063 10 5 EGBEMO CN(C(=O)C[N@@H+](CCC1CC1)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595871876 459468396 /nfs/dbraw/zinc/46/83/96/459468396.db2.gz SMAGFJIZOWDXLI-UHFFFAOYSA-N 1 1 331.416 3.070 10 5 EGBEMO O=C(C[N@@H+]1CC2CC1(c1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000595911910 459483072 /nfs/dbraw/zinc/48/30/72/459483072.db2.gz UJGUJMQMIPNZNK-UHFFFAOYSA-N 1 1 337.379 3.154 10 5 EGBEMO O=C(C[N@H+]1CC2CC1(c1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] ZINC000595911910 459483075 /nfs/dbraw/zinc/48/30/75/459483075.db2.gz UJGUJMQMIPNZNK-UHFFFAOYSA-N 1 1 337.379 3.154 10 5 EGBEMO CCc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000541771407 459489451 /nfs/dbraw/zinc/48/94/51/459489451.db2.gz ZRDSZLWQSQTEDE-UHFFFAOYSA-N 1 1 346.456 3.244 10 5 EGBEMO Cc1ccnc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000591985356 459504334 /nfs/dbraw/zinc/50/43/34/459504334.db2.gz GZVROSNJGPTAFI-CVEARBPZSA-N 1 1 326.400 3.056 10 5 EGBEMO Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])s1 ZINC000596060590 459505498 /nfs/dbraw/zinc/50/54/98/459505498.db2.gz BUBJHXFWTNQJHK-UHFFFAOYSA-N 1 1 347.440 3.409 10 5 EGBEMO COc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596109274 459524583 /nfs/dbraw/zinc/52/45/83/459524583.db2.gz USBUZLRDRCAACY-SNVBAGLBSA-N 1 1 336.779 3.364 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000498320952 459581286 /nfs/dbraw/zinc/58/12/86/459581286.db2.gz BSZYMWKMZLSEEW-AWEZNQCLSA-N 1 1 347.459 3.497 10 5 EGBEMO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CC=CCC1 ZINC000544114227 459727888 /nfs/dbraw/zinc/72/78/88/459727888.db2.gz GOVWDKFKRBKRDY-ZDUSSCGKSA-N 1 1 328.372 3.433 10 5 EGBEMO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593022753 459743776 /nfs/dbraw/zinc/74/37/76/459743776.db2.gz JSVJJFNRGIGNOZ-GFCCVEGCSA-N 1 1 343.383 3.190 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ccc(OC)cc2)c1 ZINC000593021948 459743844 /nfs/dbraw/zinc/74/38/44/459743844.db2.gz ZSARJYPLPUBBCJ-GFCCVEGCSA-N 1 1 344.367 3.241 10 5 EGBEMO Cn1nc(C(F)(F)F)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000597128877 459845128 /nfs/dbraw/zinc/84/51/28/459845128.db2.gz NDMPRIOYQCHEGF-UHFFFAOYSA-N 1 1 342.321 3.022 10 5 EGBEMO Cn1nc(C(F)(F)F)cc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000597128877 459845130 /nfs/dbraw/zinc/84/51/30/459845130.db2.gz NDMPRIOYQCHEGF-UHFFFAOYSA-N 1 1 342.321 3.022 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000597233093 459886770 /nfs/dbraw/zinc/88/67/70/459886770.db2.gz WZOJUHURINFHBB-OBHPCNEJSA-N 1 1 345.443 3.235 10 5 EGBEMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465971 459897899 /nfs/dbraw/zinc/89/78/99/459897899.db2.gz DJIDNHGMSJGJRE-SUMWQHHRSA-N 1 1 326.400 3.064 10 5 EGBEMO C[C@@H]1c2ccccc2OCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609145701 459912298 /nfs/dbraw/zinc/91/22/98/459912298.db2.gz LJHRCTSGSYHHFN-CQSZACIVSA-N 1 1 328.368 3.429 10 5 EGBEMO COc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc1[N+](=O)[O-] ZINC000609599045 459992353 /nfs/dbraw/zinc/99/23/53/459992353.db2.gz COXXFCMVMQFXCD-AWEZNQCLSA-N 1 1 344.367 3.225 10 5 EGBEMO C[N@@H+](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000609874488 460032323 /nfs/dbraw/zinc/03/23/23/460032323.db2.gz DAQAPXKLTCRIKK-UHFFFAOYSA-N 1 1 339.823 3.243 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC000589511048 460097335 /nfs/dbraw/zinc/09/73/35/460097335.db2.gz YJPKQDWLGMIWKN-ZDUSSCGKSA-N 1 1 332.400 3.394 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599779756 460332646 /nfs/dbraw/zinc/33/26/46/460332646.db2.gz JTIKZSMPYKATDH-OAHLLOKOSA-N 1 1 332.404 3.042 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178308746 528611813 /nfs/dbraw/zinc/61/18/13/528611813.db2.gz AXDRSOLNKLNJKN-QGZVFWFLSA-N 1 1 344.415 3.163 10 5 EGBEMO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084957 1296725491 /nfs/dbraw/zinc/72/54/91/1296725491.db2.gz MCUASYXWACRXDR-GFCCVEGCSA-N 1 1 346.358 3.300 10 5 EGBEMO C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872090505 1296728338 /nfs/dbraw/zinc/72/83/38/1296728338.db2.gz QHIZFTZRRBFYBJ-BZNIZROVSA-N 1 1 343.358 3.211 10 5 EGBEMO CC(C)[N@H+]1CCc2nc(/C=C\c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000885644793 1303215847 /nfs/dbraw/zinc/21/58/47/1303215847.db2.gz OIISVPXDIQQTJN-XQRVVYSFSA-N 1 1 330.413 3.383 10 5 EGBEMO Cc1ccnc(N)c1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000894904272 1309122730 /nfs/dbraw/zinc/12/27/30/1309122730.db2.gz NZMYJQUCZZBHBG-HNNXBMFYSA-N 1 1 326.400 3.260 10 5 EGBEMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859556229 1329016193 /nfs/dbraw/zinc/01/61/93/1329016193.db2.gz IMMFOSBXQNLDNC-FZKQIMNGSA-N 1 1 341.411 3.160 10 5 EGBEMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862797308 1329510623 /nfs/dbraw/zinc/51/06/23/1329510623.db2.gz WCCMDFHEBZDMML-CQSZACIVSA-N 1 1 341.411 3.210 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000866403491 1330107480 /nfs/dbraw/zinc/10/74/80/1330107480.db2.gz QNYOCXBUQMWZAU-CJNGLKHVSA-N 1 1 346.456 3.151 10 5 EGBEMO Cc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC001116361604 1370894916 /nfs/dbraw/zinc/89/49/16/1370894916.db2.gz DAPIEGMIGDFGCP-UHFFFAOYSA-N 1 1 328.372 3.085 10 5 EGBEMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141609300 1378350815 /nfs/dbraw/zinc/35/08/15/1378350815.db2.gz DJKIFHTUYUXDTL-SNVBAGLBSA-N 1 1 345.802 3.238 10 5 EGBEMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001148165460 1379127297 /nfs/dbraw/zinc/12/72/97/1379127297.db2.gz PIAZTRNVNHLASR-ZDUSSCGKSA-N 1 1 339.823 3.195 10 5 EGBEMO COC(=O)Cc1ccc(Nc2ccc3[nH+]c(C)cn3c2)c([N+](=O)[O-])c1 ZINC001162567894 1382793644 /nfs/dbraw/zinc/79/36/44/1382793644.db2.gz KLQCETICUBCIBX-UHFFFAOYSA-N 1 1 340.339 3.010 10 5 EGBEMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001163941868 1383138014 /nfs/dbraw/zinc/13/80/14/1383138014.db2.gz BSHPFRZSLAGVSD-OAHLLOKOSA-N 1 1 335.452 3.329 10 5 EGBEMO CCc1[nH+]ccn1CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001164138164 1383160168 /nfs/dbraw/zinc/16/01/68/1383160168.db2.gz MXLKHTNKJIELBR-UHFFFAOYSA-N 1 1 346.778 3.062 10 5 EGBEMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001307208175 1383957322 /nfs/dbraw/zinc/95/73/22/1383957322.db2.gz GWMLMXZEHQNKNI-GOEBONIOSA-N 1 1 344.440 3.135 10 5 EGBEMO CC(C)(C)C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001307848333 1384040908 /nfs/dbraw/zinc/04/09/08/1384040908.db2.gz XRPBNDKGYQHVNJ-RHSMWYFYSA-N 1 1 345.443 3.458 10 5 EGBEMO CC[C@H](CO)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001308016960 1384075026 /nfs/dbraw/zinc/07/50/26/1384075026.db2.gz RYYQAFOCOZYKPL-QGZVFWFLSA-N 1 1 344.411 3.247 10 5 EGBEMO O=C(CC[NH2+][C@H](CF)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001308018149 1384075257 /nfs/dbraw/zinc/07/52/57/1384075257.db2.gz ATQCNZAYDDDJLD-MRXNPFEDSA-N 1 1 349.337 3.363 10 5 EGBEMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1(Cc2ccccc2)CCCC1 ZINC001308056226 1384082388 /nfs/dbraw/zinc/08/23/88/1384082388.db2.gz HSDTWBZYDKFRTK-UHFFFAOYSA-N 1 1 328.416 3.279 10 5 EGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC001308121934 1384096359 /nfs/dbraw/zinc/09/63/59/1384096359.db2.gz RKZFVQKNQDKDAG-INIZCTEOSA-N 1 1 328.416 3.368 10 5 EGBEMO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ncccc12 ZINC001176030201 1385465806 /nfs/dbraw/zinc/46/58/06/1385465806.db2.gz ZORBCUDSXWFFJB-VXGBXAGGSA-N 1 1 338.367 3.393 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001330320865 1389387670 /nfs/dbraw/zinc/38/76/70/1389387670.db2.gz XKRUIOISVKKPBE-FAAHXZRKSA-N 1 1 348.353 3.051 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1C ZINC001332242828 1390062503 /nfs/dbraw/zinc/06/25/03/1390062503.db2.gz WEKQRDJKQHLYMS-INIZCTEOSA-N 1 1 345.443 3.348 10 5 EGBEMO CCCC1(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001494584781 1396477268 /nfs/dbraw/zinc/47/72/68/1396477268.db2.gz NFWKRVHRECDIDL-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CCC[N@H+](CCNC(=O)c1ccc(C)o1)Cc1ccccc1[N+](=O)[O-] ZINC001691175663 1405112075 /nfs/dbraw/zinc/11/20/75/1405112075.db2.gz KNZOPFJDVMWQQT-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1ccc(C)o1)Cc1ccccc1[N+](=O)[O-] ZINC001691175663 1405112077 /nfs/dbraw/zinc/11/20/77/1405112077.db2.gz KNZOPFJDVMWQQT-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1coc(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC001731306399 1427248757 /nfs/dbraw/zinc/24/87/57/1427248757.db2.gz UGFZSOXXTPYLPL-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO Cc1ccoc1C(=O)N(C)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001700188066 1413612492 /nfs/dbraw/zinc/61/24/92/1413612492.db2.gz PUGZMNILJVCIRC-UHFFFAOYSA-N 1 1 345.399 3.090 10 5 EGBEMO CC(C)[N@@H+](CCCNC(=O)C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001713695922 1418450201 /nfs/dbraw/zinc/45/02/01/1418450201.db2.gz OTKHXWIDUZGTMQ-UHFFFAOYSA-N 1 1 335.448 3.358 10 5 EGBEMO O=C(NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccsc1 ZINC001714662210 1419447877 /nfs/dbraw/zinc/44/78/77/1419447877.db2.gz GUIBKQGARNOJNY-UHFFFAOYSA-N 1 1 345.424 3.051 10 5 EGBEMO Cn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182108275 234455658 /nfs/dbraw/zinc/45/56/58/234455658.db2.gz MLVMGHHPESGOIJ-UHFFFAOYSA-N 1 1 334.807 3.361 10 5 EGBEMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346250659 141186366 /nfs/dbraw/zinc/18/63/66/141186366.db2.gz YMLTXYRRVHQCLO-NSHDSACASA-N 1 1 348.790 3.498 10 5 EGBEMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346250659 141186367 /nfs/dbraw/zinc/18/63/67/141186367.db2.gz YMLTXYRRVHQCLO-NSHDSACASA-N 1 1 348.790 3.498 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000351767414 144303752 /nfs/dbraw/zinc/30/37/52/144303752.db2.gz VIKPGJWUJUXLRL-RYUDHWBXSA-N 1 1 326.343 3.122 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000351767414 144303753 /nfs/dbraw/zinc/30/37/53/144303753.db2.gz VIKPGJWUJUXLRL-RYUDHWBXSA-N 1 1 326.343 3.122 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118836521 152156710 /nfs/dbraw/zinc/15/67/10/152156710.db2.gz NNFXLVYUJKPBCH-HZPDHXFCSA-N 1 1 340.427 3.430 10 5 EGBEMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000122268141 152399739 /nfs/dbraw/zinc/39/97/39/152399739.db2.gz CXNXHBIOGISSIL-AWEZNQCLSA-N 1 1 344.367 3.240 10 5 EGBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000303586076 154048542 /nfs/dbraw/zinc/04/85/42/154048542.db2.gz QNEUGBYZPMQVSW-PKOBYXMFSA-N 1 1 346.427 3.157 10 5 EGBEMO C[C@@H]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000337321483 154282872 /nfs/dbraw/zinc/28/28/72/154282872.db2.gz QEGSNPZUESOWMS-KDOFPFPSSA-N 1 1 331.416 3.436 10 5 EGBEMO COCC[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000368653944 157253096 /nfs/dbraw/zinc/25/30/96/157253096.db2.gz WKUYMRINXQKUOL-HNNXBMFYSA-N 1 1 349.431 3.062 10 5 EGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247801064 162974972 /nfs/dbraw/zinc/97/49/72/162974972.db2.gz VFKMCJGDYZTCRR-TZMCWYRMSA-N 1 1 349.456 3.016 10 5 EGBEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960082 164072950 /nfs/dbraw/zinc/07/29/50/164072950.db2.gz HTSMDJBEMPLUHC-GXTWGEPZSA-N 1 1 347.415 3.052 10 5 EGBEMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344079404 164098805 /nfs/dbraw/zinc/09/88/05/164098805.db2.gz YFESRDFAOHXVRZ-CQSZACIVSA-N 1 1 347.415 3.220 10 5 EGBEMO CC1(C)CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000344422631 164175344 /nfs/dbraw/zinc/17/53/44/164175344.db2.gz QMUWPARUVMZXDC-UHFFFAOYSA-N 1 1 326.400 3.091 10 5 EGBEMO CC[C@@H]([NH2+]Cc1nc2ccc(OC)nc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000355004896 166084658 /nfs/dbraw/zinc/08/46/58/166084658.db2.gz KQCIEOJBTRFWIO-CYBMUJFWSA-N 1 1 341.371 3.116 10 5 EGBEMO COc1ccc(NC(=O)C[NH+]2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000352201336 165280417 /nfs/dbraw/zinc/28/04/17/165280417.db2.gz RQMNCCOBNFIKSL-UHFFFAOYSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422880 165394502 /nfs/dbraw/zinc/39/45/02/165394502.db2.gz LMRYXGPYCDCDHI-RDJZCZTQSA-N 1 1 332.400 3.137 10 5 EGBEMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000352422880 165394507 /nfs/dbraw/zinc/39/45/07/165394507.db2.gz LMRYXGPYCDCDHI-RDJZCZTQSA-N 1 1 332.400 3.137 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000355114264 166110321 /nfs/dbraw/zinc/11/03/21/166110321.db2.gz OSHFDOBKXDMTDX-FZMZJTMJSA-N 1 1 342.342 3.197 10 5 EGBEMO C[N@H+]1CCCC[C@@H]1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355155182 166119760 /nfs/dbraw/zinc/11/97/60/166119760.db2.gz WKMSOQXWEOOZSW-MRXNPFEDSA-N 1 1 345.443 3.350 10 5 EGBEMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000355739885 166293623 /nfs/dbraw/zinc/29/36/23/166293623.db2.gz JMFDURFWGAKDOT-MGPQQGTHSA-N 1 1 347.415 3.259 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000359082818 167062546 /nfs/dbraw/zinc/06/25/46/167062546.db2.gz MYKKRRGYMHLQDU-UHFFFAOYSA-N 1 1 348.447 3.054 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000359095916 167065668 /nfs/dbraw/zinc/06/56/68/167065668.db2.gz KWLUOVYIHHEVSI-KRWDZBQOSA-N 1 1 340.427 3.317 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359556512 167191730 /nfs/dbraw/zinc/19/17/30/167191730.db2.gz MAIUPKUFWPASEB-UGSOOPFHSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359556512 167191732 /nfs/dbraw/zinc/19/17/32/167191732.db2.gz MAIUPKUFWPASEB-UGSOOPFHSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000366812322 168144068 /nfs/dbraw/zinc/14/40/68/168144068.db2.gz UGGJYOJOEXLADJ-MPGHIAIKSA-N 1 1 334.416 3.062 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367453130 168227902 /nfs/dbraw/zinc/22/79/02/168227902.db2.gz YHSVOCQVQXLMRF-SFHVURJKSA-N 1 1 334.416 3.385 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124039714 222368691 /nfs/dbraw/zinc/36/86/91/222368691.db2.gz WWWZFZROVNPJKI-GOEBONIOSA-N 1 1 335.448 3.297 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000376742237 274828757 /nfs/dbraw/zinc/82/87/57/274828757.db2.gz MUQSMFVUVKKBFS-UHFFFAOYSA-N 1 1 337.383 3.489 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278915147 275287192 /nfs/dbraw/zinc/28/71/92/275287192.db2.gz WETKIEDRTCHBIM-MNOVXSKESA-N 1 1 345.321 3.196 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278915147 275287193 /nfs/dbraw/zinc/28/71/93/275287193.db2.gz WETKIEDRTCHBIM-MNOVXSKESA-N 1 1 345.321 3.196 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289681515 276377300 /nfs/dbraw/zinc/37/73/00/276377300.db2.gz NXZDIKQORXBADV-AWEZNQCLSA-N 1 1 332.322 3.183 10 5 EGBEMO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000352929919 278021750 /nfs/dbraw/zinc/02/17/50/278021750.db2.gz JELRWIPXSVFREX-HNNXBMFYSA-N 1 1 331.416 3.027 10 5 EGBEMO CCc1ccc([C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414133074 309062735 /nfs/dbraw/zinc/06/27/35/309062735.db2.gz ATCJAJNRYOYNAL-NUJGCVRESA-N 1 1 330.384 3.343 10 5 EGBEMO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)C[NH3+] ZINC000415059498 309117441 /nfs/dbraw/zinc/11/74/41/309117441.db2.gz YFWNKVZDMDXYAY-FZKQIMNGSA-N 1 1 329.400 3.272 10 5 EGBEMO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000418135355 309237193 /nfs/dbraw/zinc/23/71/93/309237193.db2.gz AMTATCJNKFEQGJ-CQSZACIVSA-N 1 1 333.413 3.403 10 5 EGBEMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000418135355 309237194 /nfs/dbraw/zinc/23/71/94/309237194.db2.gz AMTATCJNKFEQGJ-CQSZACIVSA-N 1 1 333.413 3.403 10 5 EGBEMO Cn1cc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C)cn1 ZINC000444672158 309925241 /nfs/dbraw/zinc/92/52/41/309925241.db2.gz FMPPSLZWNQQQOE-INIZCTEOSA-N 1 1 342.403 3.082 10 5 EGBEMO C[C@@]12C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368841 310174561 /nfs/dbraw/zinc/17/45/61/310174561.db2.gz MKDMWLSPALYSRU-QZNHQWIBSA-N 1 1 341.411 3.067 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](NCc2n[nH]c(C3CC3)n2)c2ccccc2)c1 ZINC000453272234 310268338 /nfs/dbraw/zinc/26/83/38/310268338.db2.gz HWFJHUXZCSEPJM-GOSISDBHSA-N 1 1 349.394 3.470 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3C[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000554873172 315354148 /nfs/dbraw/zinc/35/41/48/315354148.db2.gz TWRSQTJZUSBEJE-JNSHFYNHSA-N 1 1 346.383 3.473 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000564329685 316137865 /nfs/dbraw/zinc/13/78/65/316137865.db2.gz DAVUYIMSLXELDX-UHFFFAOYSA-N 1 1 326.352 3.277 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000564329685 316137868 /nfs/dbraw/zinc/13/78/68/316137868.db2.gz DAVUYIMSLXELDX-UHFFFAOYSA-N 1 1 326.352 3.277 10 5 EGBEMO O=C(Nc1ccccc1)C1([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475309 316483468 /nfs/dbraw/zinc/48/34/68/316483468.db2.gz XWDYXVKSRQFCAZ-INIZCTEOSA-N 1 1 337.379 3.343 10 5 EGBEMO C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+](C2CCC2)C1 ZINC000580188384 325215347 /nfs/dbraw/zinc/21/53/47/325215347.db2.gz KQIJGWAADGETAC-CQSZACIVSA-N 1 1 344.459 3.179 10 5 EGBEMO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464813122 458776848 /nfs/dbraw/zinc/77/68/48/458776848.db2.gz HCIROOPGUXRSMW-WDEREUQCSA-N 1 1 325.796 3.307 10 5 EGBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464813122 458776853 /nfs/dbraw/zinc/77/68/53/458776853.db2.gz HCIROOPGUXRSMW-WDEREUQCSA-N 1 1 325.796 3.307 10 5 EGBEMO Cc1sc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000028837782 453825041 /nfs/dbraw/zinc/82/50/41/453825041.db2.gz AHCCUSPXMVZPBT-ZDUSSCGKSA-N 1 1 349.412 3.125 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399487 453997154 /nfs/dbraw/zinc/99/71/54/453997154.db2.gz LZZVJQQABOFKKS-GFCCVEGCSA-N 1 1 331.338 3.226 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399487 453997155 /nfs/dbraw/zinc/99/71/55/453997155.db2.gz LZZVJQQABOFKKS-GFCCVEGCSA-N 1 1 331.338 3.226 10 5 EGBEMO COC(=O)c1cc(Nc2ccc3c(c2)[nH+]c(C)n3C)ccc1[N+](=O)[O-] ZINC000092658935 454604083 /nfs/dbraw/zinc/60/40/83/454604083.db2.gz JLRBFDQIGLGEIZ-UHFFFAOYSA-N 1 1 340.339 3.320 10 5 EGBEMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050480 454606611 /nfs/dbraw/zinc/60/66/11/454606611.db2.gz COKCLKNUFBKODL-GXTWGEPZSA-N 1 1 339.461 3.173 10 5 EGBEMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050480 454606616 /nfs/dbraw/zinc/60/66/16/454606616.db2.gz COKCLKNUFBKODL-GXTWGEPZSA-N 1 1 339.461 3.173 10 5 EGBEMO CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176690585 454772034 /nfs/dbraw/zinc/77/20/34/454772034.db2.gz NMMUTMWSPIDJGX-DLBZAZTESA-N 1 1 348.447 3.172 10 5 EGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000160513947 455467894 /nfs/dbraw/zinc/46/78/94/455467894.db2.gz OKMLJGKZCIVWJM-CYBMUJFWSA-N 1 1 339.823 3.098 10 5 EGBEMO CN(C(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000114495065 454957864 /nfs/dbraw/zinc/95/78/64/454957864.db2.gz RSRYXYOKZNKCML-IBGZPJMESA-N 1 1 343.427 3.380 10 5 EGBEMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000156968946 455159117 /nfs/dbraw/zinc/15/91/17/455159117.db2.gz QJCTUFLXWYOMND-MRXNPFEDSA-N 1 1 349.431 3.443 10 5 EGBEMO Cc1cc(N2CCC[N@H+](C3CC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000182925013 455192651 /nfs/dbraw/zinc/19/26/51/455192651.db2.gz RCOPDGWBOFHOCQ-UHFFFAOYSA-N 1 1 326.400 3.126 10 5 EGBEMO C[C@H]([NH2+][C@H](C[S@@](C)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245923101 455400638 /nfs/dbraw/zinc/40/06/38/455400638.db2.gz YEQVWRVNFBZKDC-OLJPZDALSA-N 1 1 332.425 3.365 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246468325 455495205 /nfs/dbraw/zinc/49/52/05/455495205.db2.gz GQEZBEDMVCYSBJ-YOEHRIQHSA-N 1 1 335.448 3.156 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277782575 455664661 /nfs/dbraw/zinc/66/46/61/455664661.db2.gz NWNZXLSWLHHIMZ-MPKXVKKWSA-N 1 1 332.322 3.291 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000271618466 455702293 /nfs/dbraw/zinc/70/22/93/455702293.db2.gz DOHBFFYVSQGOPA-KBPBESRZSA-N 1 1 341.415 3.462 10 5 EGBEMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000284833502 455750391 /nfs/dbraw/zinc/75/03/91/455750391.db2.gz QNRGBFGWAHFOGP-ZDUSSCGKSA-N 1 1 339.823 3.129 10 5 EGBEMO CO[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C ZINC000252005474 455802443 /nfs/dbraw/zinc/80/24/43/455802443.db2.gz WYZHLMZHRJDZAQ-TYNCELHUSA-N 1 1 346.387 3.063 10 5 EGBEMO CO[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1C ZINC000252005474 455802448 /nfs/dbraw/zinc/80/24/48/455802448.db2.gz WYZHLMZHRJDZAQ-TYNCELHUSA-N 1 1 346.387 3.063 10 5 EGBEMO C[C@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301577129 456150739 /nfs/dbraw/zinc/15/07/39/456150739.db2.gz ZFBHCXNBAPRMMH-JTQLQIEISA-N 1 1 343.225 3.039 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301577129 456150746 /nfs/dbraw/zinc/15/07/46/456150746.db2.gz ZFBHCXNBAPRMMH-JTQLQIEISA-N 1 1 343.225 3.039 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302160833 456304100 /nfs/dbraw/zinc/30/41/00/456304100.db2.gz PCUZXJKZODGJFC-LLVKDONJSA-N 1 1 329.347 3.483 10 5 EGBEMO C[C@@](CO)([NH2+]Cc1cnc(C2CCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000601148929 460731949 /nfs/dbraw/zinc/73/19/49/460731949.db2.gz HQNBACUGPCDJMU-KRWDZBQOSA-N 1 1 347.440 3.316 10 5 EGBEMO CSCCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353529845 456738887 /nfs/dbraw/zinc/73/88/87/456738887.db2.gz RJEMGWMIKURLDD-HNNXBMFYSA-N 1 1 334.445 3.151 10 5 EGBEMO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)nc1 ZINC000301127108 456803432 /nfs/dbraw/zinc/80/34/32/456803432.db2.gz ZXLJBJGGBBBHAE-MRXNPFEDSA-N 1 1 326.400 3.456 10 5 EGBEMO CCOCc1nc([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000353615121 456804854 /nfs/dbraw/zinc/80/48/54/456804854.db2.gz YAMOPHYVZGVDPQ-OLZOCXBDSA-N 1 1 348.403 3.186 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH]c2ccc(F)cc2[nH+]1 ZINC000362647883 457025819 /nfs/dbraw/zinc/02/58/19/457025819.db2.gz FSZBFUFNJOUZHP-UHFFFAOYSA-N 1 1 330.319 3.043 10 5 EGBEMO Cc1cnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000354431699 457217196 /nfs/dbraw/zinc/21/71/96/457217196.db2.gz SBHLIEKHXRJTIM-MRXNPFEDSA-N 1 1 326.400 3.009 10 5 EGBEMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975192 457423462 /nfs/dbraw/zinc/42/34/62/457423462.db2.gz GYIKEXKZJVIZNE-RVKKMQEKSA-N 1 1 334.416 3.062 10 5 EGBEMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975192 457423469 /nfs/dbraw/zinc/42/34/69/457423469.db2.gz GYIKEXKZJVIZNE-RVKKMQEKSA-N 1 1 334.416 3.062 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](O)C(F)(F)F)c2ccccc2)c1 ZINC000352556197 457464629 /nfs/dbraw/zinc/46/46/29/457464629.db2.gz WPDLLEUDNSLKBK-GJZGRUSLSA-N 1 1 340.301 3.197 10 5 EGBEMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000425277166 457478916 /nfs/dbraw/zinc/47/89/16/457478916.db2.gz CHURNRTXPYWMDJ-DOTOQJQBSA-N 1 1 338.411 3.187 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000361066124 457560124 /nfs/dbraw/zinc/56/01/24/457560124.db2.gz NOVKMDVZCQECSE-QGZVFWFLSA-N 1 1 346.383 3.209 10 5 EGBEMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000370743158 457711178 /nfs/dbraw/zinc/71/11/78/457711178.db2.gz XWKNIWNTXIMSFC-KRWDZBQOSA-N 1 1 345.399 3.299 10 5 EGBEMO COCC[N@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])cc1C ZINC000426566092 457855278 /nfs/dbraw/zinc/85/52/78/457855278.db2.gz DTMFBIFPFFLTIM-UHFFFAOYSA-N 1 1 335.429 3.317 10 5 EGBEMO COCC[N@@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])cc1C ZINC000426566092 457855285 /nfs/dbraw/zinc/85/52/85/457855285.db2.gz DTMFBIFPFFLTIM-UHFFFAOYSA-N 1 1 335.429 3.317 10 5 EGBEMO COCC[C@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680067 457937266 /nfs/dbraw/zinc/93/72/66/457937266.db2.gz DEORCFFPRJUUJU-CYBMUJFWSA-N 1 1 332.404 3.110 10 5 EGBEMO C[C@H]1CC(C)(C)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000412049872 458068273 /nfs/dbraw/zinc/06/82/73/458068273.db2.gz XDEYRZJJJIFTIU-LBPRGKRZSA-N 1 1 333.388 3.013 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000373476146 458502864 /nfs/dbraw/zinc/50/28/64/458502864.db2.gz PHVXPPFPWQSXFL-UHFFFAOYSA-N 1 1 348.790 3.230 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000502357689 458646674 /nfs/dbraw/zinc/64/66/74/458646674.db2.gz BLAVGUYTXCGVOL-UHFFFAOYSA-N 1 1 334.420 3.289 10 5 EGBEMO COC(=O)c1cc(N(C)CC[C@H]2CCCC[N@H+]2C)cc(C)c1[N+](=O)[O-] ZINC000474782787 458901073 /nfs/dbraw/zinc/90/10/73/458901073.db2.gz ZSHDFHRHKCEUCR-CQSZACIVSA-N 1 1 349.431 3.000 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000477173287 459034039 /nfs/dbraw/zinc/03/40/39/459034039.db2.gz XNCTZMGMIFLCIO-OAHLLOKOSA-N 1 1 332.448 3.471 10 5 EGBEMO O=[N+]([O-])c1cc2c(cc1CNc1cccc(C3CC3)[nH+]1)OCCO2 ZINC000590190265 459099617 /nfs/dbraw/zinc/09/96/17/459099617.db2.gz IHFLSJABXOGQBY-UHFFFAOYSA-N 1 1 327.340 3.251 10 5 EGBEMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000590692433 459185383 /nfs/dbraw/zinc/18/53/83/459185383.db2.gz VLCKQSQZGHUYRE-HNNXBMFYSA-N 1 1 326.400 3.091 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000595020709 459218436 /nfs/dbraw/zinc/21/84/36/459218436.db2.gz ZJYGNAHWUJCCEA-LLVKDONJSA-N 1 1 334.347 3.086 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595549597 459343125 /nfs/dbraw/zinc/34/31/25/459343125.db2.gz UHSUIMXKXRVECR-ZFWWWQNUSA-N 1 1 348.447 3.136 10 5 EGBEMO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCc2sccc2C1 ZINC000582617765 459396136 /nfs/dbraw/zinc/39/61/36/459396136.db2.gz YMTSUMNKWXWICQ-UHFFFAOYSA-N 1 1 333.413 3.135 10 5 EGBEMO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCc2sccc2C1 ZINC000582617765 459396139 /nfs/dbraw/zinc/39/61/39/459396139.db2.gz YMTSUMNKWXWICQ-UHFFFAOYSA-N 1 1 333.413 3.135 10 5 EGBEMO COc1ccc(OCC[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595755156 459426845 /nfs/dbraw/zinc/42/68/45/459426845.db2.gz HHIPVBVXUALVOT-ZDUSSCGKSA-N 1 1 326.368 3.054 10 5 EGBEMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000541618849 459474616 /nfs/dbraw/zinc/47/46/16/459474616.db2.gz PVPPHFFEAZJRBV-ZFWWWQNUSA-N 1 1 326.824 3.477 10 5 EGBEMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000541618849 459474617 /nfs/dbraw/zinc/47/46/17/459474617.db2.gz PVPPHFFEAZJRBV-ZFWWWQNUSA-N 1 1 326.824 3.477 10 5 EGBEMO COc1cc(C[N@@H+]2CC3CC2(C)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000595920829 459487770 /nfs/dbraw/zinc/48/77/70/459487770.db2.gz XNUZXFLIQRJGSC-UHFFFAOYSA-N 1 1 342.342 3.232 10 5 EGBEMO COc1cc(C[N@H+]2CC3CC2(C)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000595920829 459487777 /nfs/dbraw/zinc/48/77/77/459487777.db2.gz XNUZXFLIQRJGSC-UHFFFAOYSA-N 1 1 342.342 3.232 10 5 EGBEMO COc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596091622 459517934 /nfs/dbraw/zinc/51/79/34/459517934.db2.gz AULVOMMBUWQCAA-LLVKDONJSA-N 1 1 327.812 3.399 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccncc1)[C@H]1CC[C@H](O)CC1 ZINC000592130681 459530878 /nfs/dbraw/zinc/53/08/78/459530878.db2.gz IMJVJAMYHVSDOL-IYARVYRRSA-N 1 1 341.411 3.296 10 5 EGBEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592752550 459683986 /nfs/dbraw/zinc/68/39/86/459683986.db2.gz OQTOBLXVLFPMMP-QWHCGFSZSA-N 1 1 330.388 3.182 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC34CCOCC4)co2)cc1 ZINC000618318226 459965199 /nfs/dbraw/zinc/96/51/99/459965199.db2.gz JQBRHKVNFWULAF-UHFFFAOYSA-N 1 1 329.356 3.005 10 5 EGBEMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn2cccc(F)c2n1 ZINC000589183647 460047527 /nfs/dbraw/zinc/04/75/27/460047527.db2.gz BOEBORHXNQEGTN-UHFFFAOYSA-N 1 1 328.347 3.056 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn2cccc(F)c2n1 ZINC000589183647 460047531 /nfs/dbraw/zinc/04/75/31/460047531.db2.gz BOEBORHXNQEGTN-UHFFFAOYSA-N 1 1 328.347 3.056 10 5 EGBEMO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000589196670 460050549 /nfs/dbraw/zinc/05/05/49/460050549.db2.gz RHIRTQUUNMBOQK-UHFFFAOYSA-N 1 1 343.427 3.384 10 5 EGBEMO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000589196670 460050551 /nfs/dbraw/zinc/05/05/51/460050551.db2.gz RHIRTQUUNMBOQK-UHFFFAOYSA-N 1 1 343.427 3.384 10 5 EGBEMO O=[N+]([O-])c1c(NCCc2cn3c([nH+]2)CCCC3)ccc2cnccc21 ZINC000599020339 460128664 /nfs/dbraw/zinc/12/86/64/460128664.db2.gz NUHYQJNWCVWLLV-UHFFFAOYSA-N 1 1 337.383 3.330 10 5 EGBEMO CC(C)[N@@H+](C)CC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000576819055 460219501 /nfs/dbraw/zinc/21/95/01/460219501.db2.gz GEKMQBBTGHMIDO-UHFFFAOYSA-N 1 1 346.475 3.425 10 5 EGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599777249 460332135 /nfs/dbraw/zinc/33/21/35/460332135.db2.gz ANLJUJNANCJVRF-INIZCTEOSA-N 1 1 332.404 3.123 10 5 EGBEMO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)Cc2ccccc21 ZINC000600214033 460444912 /nfs/dbraw/zinc/44/49/12/460444912.db2.gz CVYCEDWSPJZIFZ-SFHVURJKSA-N 1 1 340.379 3.176 10 5 EGBEMO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)Cc2ccccc21 ZINC000600214033 460444917 /nfs/dbraw/zinc/44/49/17/460444917.db2.gz CVYCEDWSPJZIFZ-SFHVURJKSA-N 1 1 340.379 3.176 10 5 EGBEMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600469382 460499271 /nfs/dbraw/zinc/49/92/71/460499271.db2.gz AKEZZWNCGHNPTQ-CYBMUJFWSA-N 1 1 349.456 3.063 10 5 EGBEMO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000601162363 460735688 /nfs/dbraw/zinc/73/56/88/460735688.db2.gz MGZSVTMXSSCLOI-GFCCVEGCSA-N 1 1 345.378 3.046 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953868 534094254 /nfs/dbraw/zinc/09/42/54/534094254.db2.gz KLQPZBOXFDFOFE-INIZCTEOSA-N 1 1 347.459 3.233 10 5 EGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163129285 534776738 /nfs/dbraw/zinc/77/67/38/534776738.db2.gz PIWSVKGJSFBNGY-HNNXBMFYSA-N 1 1 343.387 3.105 10 5 EGBEMO Cc1sc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000735221756 575618598 /nfs/dbraw/zinc/61/85/98/575618598.db2.gz SHJXUGQGVDSFTO-AWEZNQCLSA-N 1 1 346.408 3.396 10 5 EGBEMO Cc1sc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000735221756 575618600 /nfs/dbraw/zinc/61/86/00/575618600.db2.gz SHJXUGQGVDSFTO-AWEZNQCLSA-N 1 1 346.408 3.396 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000744151617 576821551 /nfs/dbraw/zinc/82/15/51/576821551.db2.gz MKWNUEDGEGLBCI-INIZCTEOSA-N 1 1 340.379 3.335 10 5 EGBEMO O=[N+]([O-])c1cn(C[N@H+]2CCC3(C2)CCCCC3)nc1-c1ccncc1 ZINC000172938348 1294450710 /nfs/dbraw/zinc/45/07/10/1294450710.db2.gz PGSYNPOUNSRVKX-UHFFFAOYSA-N 1 1 341.415 3.467 10 5 EGBEMO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872083215 1296724411 /nfs/dbraw/zinc/72/44/11/1296724411.db2.gz IXLAUMMLDKQIPW-IAQYHMDHSA-N 1 1 343.358 3.338 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872279982 1296889156 /nfs/dbraw/zinc/88/91/56/1296889156.db2.gz IFPCEOXRJUMTHW-ROUUACIJSA-N 1 1 334.416 3.052 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000895582060 1309412434 /nfs/dbraw/zinc/41/24/34/1309412434.db2.gz DXOVZVOJOBZQKQ-LLVKDONJSA-N 1 1 349.412 3.058 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000924954877 1323226621 /nfs/dbraw/zinc/22/66/21/1323226621.db2.gz LMINLOLRHWCODH-LBPRGKRZSA-N 1 1 330.388 3.376 10 5 EGBEMO O=C(CC[N@H+]1CCCC2(CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000860072731 1329140886 /nfs/dbraw/zinc/14/08/86/1329140886.db2.gz GDBGTEZPUJUMRW-UHFFFAOYSA-N 1 1 335.379 3.329 10 5 EGBEMO C/C(=C\C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863033483 1329524734 /nfs/dbraw/zinc/52/47/34/1329524734.db2.gz VOPCFSQEFFSOPQ-QIXNEVBVSA-N 1 1 343.427 3.131 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934212844 1329956244 /nfs/dbraw/zinc/95/62/44/1329956244.db2.gz XVMXDBBXESQXKY-SJKOYZFVSA-N 1 1 348.786 3.080 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@H]21 ZINC000866207737 1330078377 /nfs/dbraw/zinc/07/83/77/1330078377.db2.gz 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CCOC(=O)c1cc([N+](=O)[O-])c(Nc2ccc3[nH+]ccn3c2)cc1C ZINC001187116338 1388055593 /nfs/dbraw/zinc/05/55/93/1388055593.db2.gz BLOACVIETJMMDK-UHFFFAOYSA-N 1 1 340.339 3.471 10 5 EGBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1F ZINC001126597891 1372980498 /nfs/dbraw/zinc/98/04/98/1372980498.db2.gz RYWZXRNSXNOSEW-AWEZNQCLSA-N 1 1 349.406 3.037 10 5 EGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001132619097 1375486655 /nfs/dbraw/zinc/48/66/55/1375486655.db2.gz LZJQACGAZNNCSO-MRXNPFEDSA-N 1 1 349.406 3.261 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001132618576 1375486884 /nfs/dbraw/zinc/48/68/84/1375486884.db2.gz CBTSQVXIQGOFFJ-QGZVFWFLSA-N 1 1 345.443 3.430 10 5 EGBEMO C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC001300098046 1383644445 /nfs/dbraw/zinc/64/44/45/1383644445.db2.gz STYWGXXDJIFVBS-AWEZNQCLSA-N 1 1 339.823 3.051 10 5 EGBEMO C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC001300098046 1383644448 /nfs/dbraw/zinc/64/44/48/1383644448.db2.gz STYWGXXDJIFVBS-AWEZNQCLSA-N 1 1 339.823 3.051 10 5 EGBEMO COCC[N@@H+]1CC[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001306967498 1383927096 /nfs/dbraw/zinc/92/70/96/1383927096.db2.gz BVLGREOSDGOGHS-SECBINFHSA-N 1 1 334.203 3.034 10 5 EGBEMO COCC[N@H+]1CC[C@@H](Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001306967498 1383927097 /nfs/dbraw/zinc/92/70/97/1383927097.db2.gz BVLGREOSDGOGHS-SECBINFHSA-N 1 1 334.203 3.034 10 5 EGBEMO O=C(CC[N@@H+](CCC1CC1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001307954252 1384063982 /nfs/dbraw/zinc/06/39/82/1384063982.db2.gz RQQMXCFXPBPPLV-UHFFFAOYSA-N 1 1 331.416 3.436 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001308159928 1384103287 /nfs/dbraw/zinc/10/32/87/1384103287.db2.gz LTWQHSNMAQISAH-ZWKOTPCHSA-N 1 1 334.416 3.397 10 5 EGBEMO COC(=O)c1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1C ZINC001170193065 1384260123 /nfs/dbraw/zinc/26/01/23/1384260123.db2.gz DCDYUGHONXYYGY-UHFFFAOYSA-N 1 1 342.395 3.364 10 5 EGBEMO CC[N@@H+](CCNC(=O)C1CCC=CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317489664 1385189476 /nfs/dbraw/zinc/18/94/76/1385189476.db2.gz BOQIHXCKDVQKIM-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CCC[N@@H+](CCNC(=O)C1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317541952 1385281664 /nfs/dbraw/zinc/28/16/64/1385281664.db2.gz ILWYVZMKAAGEJH-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC001175533030 1385323781 /nfs/dbraw/zinc/32/37/81/1385323781.db2.gz UHJRPPXZWZUMQL-QGZVFWFLSA-N 1 1 344.411 3.377 10 5 EGBEMO CCC(=CC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)CC ZINC001319988894 1386437093 /nfs/dbraw/zinc/43/70/93/1386437093.db2.gz AHNXAEJEIHIBGG-UHFFFAOYSA-N 1 1 333.432 3.231 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC001321504540 1386918997 /nfs/dbraw/zinc/91/89/97/1386918997.db2.gz ICWANWGEWPUURF-MRXNPFEDSA-N 1 1 348.786 3.465 10 5 EGBEMO CC(C)(C)c1ccc2c(c1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC001330962440 1389578660 /nfs/dbraw/zinc/57/86/60/1389578660.db2.gz GBTBUYCAWYZDGP-UHFFFAOYSA-N 1 1 328.416 3.147 10 5 EGBEMO CC(C)(C)CC(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001333290712 1390277052 /nfs/dbraw/zinc/27/70/52/1390277052.db2.gz IUCCLVOAONOBAG-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CC(C)(C)CC(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001333290712 1390277054 /nfs/dbraw/zinc/27/70/54/1390277054.db2.gz IUCCLVOAONOBAG-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001351482293 1391643681 /nfs/dbraw/zinc/64/36/81/1391643681.db2.gz MYMSMGNGDVMGCE-QGZVFWFLSA-N 1 1 333.432 3.205 10 5 EGBEMO C[N@H+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CCC1(C)C ZINC001351791619 1391690457 /nfs/dbraw/zinc/69/04/57/1391690457.db2.gz VTBANURLHHHAQD-UHFFFAOYSA-N 1 1 349.822 3.112 10 5 EGBEMO CCc1ccsc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713476347 1418157801 /nfs/dbraw/zinc/15/78/01/1418157801.db2.gz BDRAWCUGVGMVDL-UHFFFAOYSA-N 1 1 347.440 3.081 10 5 EGBEMO C[N@@H+](CCC1CCN(C(=O)C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001715442562 1420127340 /nfs/dbraw/zinc/12/73/40/1420127340.db2.gz PHQYISBCTSMJFM-UHFFFAOYSA-N 1 1 345.443 3.065 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\C(C)(C)C ZINC001715516785 1420202650 /nfs/dbraw/zinc/20/26/50/1420202650.db2.gz XTQWVDIOKMRMTR-KHPPLWFESA-N 1 1 333.432 3.087 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\C(C)(C)C ZINC001715516785 1420202651 /nfs/dbraw/zinc/20/26/51/1420202651.db2.gz XTQWVDIOKMRMTR-KHPPLWFESA-N 1 1 333.432 3.087 10 5 EGBEMO COC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184306987 235362240 /nfs/dbraw/zinc/36/22/40/235362240.db2.gz FUVKMSLDODAVRM-OAHLLOKOSA-N 1 1 334.347 3.220 10 5 EGBEMO CC(C)[N@H+]1CCc2nc(/C=C/c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000378638138 169151283 /nfs/dbraw/zinc/15/12/83/169151283.db2.gz OIISVPXDIQQTJN-GQCTYLIASA-N 1 1 330.413 3.383 10 5 EGBEMO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118836519 152156208 /nfs/dbraw/zinc/15/62/08/152156208.db2.gz NNFXLVYUJKPBCH-JKSUJKDBSA-N 1 1 340.427 3.430 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120177473 152256010 /nfs/dbraw/zinc/25/60/10/152256010.db2.gz RQNPHDTVMSTWOU-CQSZACIVSA-N 1 1 334.420 3.160 10 5 EGBEMO CCc1n[nH]c(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190661493 153153418 /nfs/dbraw/zinc/15/34/18/153153418.db2.gz PLCKLRBWNOCLJM-LBPRGKRZSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190661493 153153423 /nfs/dbraw/zinc/15/34/23/153153423.db2.gz PLCKLRBWNOCLJM-LBPRGKRZSA-N 1 1 329.404 3.216 10 5 EGBEMO CC[C@H]([NH2+]Cc1nccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000191061747 153173240 /nfs/dbraw/zinc/17/32/40/153173240.db2.gz HLBNVKBULCASGJ-AWEZNQCLSA-N 1 1 331.372 3.248 10 5 EGBEMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344433925 164178069 /nfs/dbraw/zinc/17/80/69/164178069.db2.gz NSZFVWRWRVCUBB-UHFFFAOYSA-N 1 1 340.427 3.338 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355739912 166293967 /nfs/dbraw/zinc/29/39/67/166293967.db2.gz JPZAZTKBINZAOT-RDBSUJKOSA-N 1 1 349.431 3.298 10 5 EGBEMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000269659437 266336300 /nfs/dbraw/zinc/33/63/00/266336300.db2.gz PSWHASQTEACDDE-MDASCCDHSA-N 1 1 342.395 3.090 10 5 EGBEMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000269659437 266336304 /nfs/dbraw/zinc/33/63/04/266336304.db2.gz PSWHASQTEACDDE-MDASCCDHSA-N 1 1 342.395 3.090 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278412149 268006821 /nfs/dbraw/zinc/00/68/21/268006821.db2.gz QDZSMNNBFHKUPY-OCCSQVGLSA-N 1 1 332.322 3.038 10 5 EGBEMO Cc1ccnc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000282002898 275595464 /nfs/dbraw/zinc/59/54/64/275595464.db2.gz ULCDEOSNTRRVFM-CQSZACIVSA-N 1 1 341.415 3.215 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289043196 276282945 /nfs/dbraw/zinc/28/29/45/276282945.db2.gz BPOXJNSJXVPNMN-UHFFFAOYSA-N 1 1 345.374 3.459 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000289723531 276383721 /nfs/dbraw/zinc/38/37/21/276383721.db2.gz IJYQFVUXLLVAIY-CXAGYDPISA-N 1 1 348.447 3.351 10 5 EGBEMO CC(C)([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000296179813 308401803 /nfs/dbraw/zinc/40/18/03/308401803.db2.gz XTSHEGUHCURUOE-UHFFFAOYSA-N 1 1 348.424 3.023 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc3ccccn31)CCCC2 ZINC000417346225 309202450 /nfs/dbraw/zinc/20/24/50/309202450.db2.gz UAIVTMCGFSHYHR-MRXNPFEDSA-N 1 1 337.383 3.195 10 5 EGBEMO CC[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423192506 309389920 /nfs/dbraw/zinc/38/99/20/309389920.db2.gz VOBOCINREWCIFW-GOSISDBHSA-N 1 1 328.416 3.210 10 5 EGBEMO C[C@@]12C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357444 310173904 /nfs/dbraw/zinc/17/39/04/310173904.db2.gz AAHJQRXALMMFJL-MCTLKSGKSA-N 1 1 325.368 3.380 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000508582197 312097233 /nfs/dbraw/zinc/09/72/33/312097233.db2.gz MBIYXKQQJARWLP-GFCCVEGCSA-N 1 1 346.408 3.318 10 5 EGBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000553888888 315287123 /nfs/dbraw/zinc/28/71/23/315287123.db2.gz MDFGVWLJDCFWDJ-MRXNPFEDSA-N 1 1 346.814 3.210 10 5 EGBEMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000379683018 324241203 /nfs/dbraw/zinc/24/12/03/324241203.db2.gz ZNVVETGJEYHKTJ-GDBMZVCRSA-N 1 1 326.400 3.455 10 5 EGBEMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cscn1 ZINC000581081673 325328782 /nfs/dbraw/zinc/32/87/82/325328782.db2.gz CLGMXPMNLAIKLC-MNOVXSKESA-N 1 1 334.401 3.119 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055023043 453956737 /nfs/dbraw/zinc/95/67/37/453956737.db2.gz HFVYVIVSRYHTPX-UHFFFAOYSA-N 1 1 345.374 3.155 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000055023043 453956739 /nfs/dbraw/zinc/95/67/39/453956739.db2.gz HFVYVIVSRYHTPX-UHFFFAOYSA-N 1 1 345.374 3.155 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccco1)C1CC1 ZINC000058226062 454172854 /nfs/dbraw/zinc/17/28/54/454172854.db2.gz MWZCJUQINTXFNP-UHFFFAOYSA-N 1 1 343.383 3.489 10 5 EGBEMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120661537 454331595 /nfs/dbraw/zinc/33/15/95/454331595.db2.gz RZOISLLEHDIHTK-AWEZNQCLSA-N 1 1 343.383 3.085 10 5 EGBEMO CN(C(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000121544855 454449834 /nfs/dbraw/zinc/44/98/34/454449834.db2.gz VMNMELDSTFPCHL-PBHICJAKSA-N 1 1 331.416 3.212 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000092105380 454525578 /nfs/dbraw/zinc/52/55/78/454525578.db2.gz QLDLBLFGZKCZNT-WBVHZDCISA-N 1 1 345.443 3.209 10 5 EGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000105897978 454666291 /nfs/dbraw/zinc/66/62/91/454666291.db2.gz DDKURIYSXKMMJR-CYBMUJFWSA-N 1 1 332.379 3.330 10 5 EGBEMO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176690874 454771985 /nfs/dbraw/zinc/77/19/85/454771985.db2.gz FQCYQTSIGAXQPY-FRFSOERESA-N 1 1 348.447 3.170 10 5 EGBEMO CC[N@H+]1CC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113323918 454923256 /nfs/dbraw/zinc/92/32/56/454923256.db2.gz VZNANTRHXJSTNN-ZDUSSCGKSA-N 1 1 346.456 3.150 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000177967814 454923464 /nfs/dbraw/zinc/92/34/64/454923464.db2.gz MQFPHYGSRXORGB-OAHLLOKOSA-N 1 1 333.775 3.297 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000177967814 454923468 /nfs/dbraw/zinc/92/34/68/454923468.db2.gz MQFPHYGSRXORGB-OAHLLOKOSA-N 1 1 333.775 3.297 10 5 EGBEMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000180158886 455141691 /nfs/dbraw/zinc/14/16/91/455141691.db2.gz SAZHFAFTOFTTFD-SJLPKXTDSA-N 1 1 339.395 3.078 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000156751043 455148439 /nfs/dbraw/zinc/14/84/39/455148439.db2.gz QACAJPIKWLHIMG-ZDUSSCGKSA-N 1 1 338.379 3.288 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000156751043 455148442 /nfs/dbraw/zinc/14/84/42/455148442.db2.gz QACAJPIKWLHIMG-ZDUSSCGKSA-N 1 1 338.379 3.288 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000174012623 455351279 /nfs/dbraw/zinc/35/12/79/455351279.db2.gz HCXMBSIGOJIZAQ-QWHCGFSZSA-N 1 1 335.404 3.052 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600997987 460670299 /nfs/dbraw/zinc/67/02/99/460670299.db2.gz PWUZUUCKHSWBJW-OAHLLOKOSA-N 1 1 345.443 3.007 10 5 EGBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000246771005 455523686 /nfs/dbraw/zinc/52/36/86/455523686.db2.gz AWZYODFVRNDCLI-HIFRSBDPSA-N 1 1 345.443 3.201 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247344593 455590457 /nfs/dbraw/zinc/59/04/57/455590457.db2.gz JIBMCQITKGOEJH-NHYWBVRUSA-N 1 1 339.823 3.051 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249538212 455761618 /nfs/dbraw/zinc/76/16/18/455761618.db2.gz DBVJXEYZADCVPP-ISTRZQFTSA-N 1 1 332.425 3.425 10 5 EGBEMO CO[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000251436007 455790598 /nfs/dbraw/zinc/79/05/98/455790598.db2.gz AVDYPZLVFIXKGJ-MLGOLLRUSA-N 1 1 331.372 3.107 10 5 EGBEMO CO[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000251436007 455790601 /nfs/dbraw/zinc/79/06/01/455790601.db2.gz AVDYPZLVFIXKGJ-MLGOLLRUSA-N 1 1 331.372 3.107 10 5 EGBEMO Cc1cnn([C@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)c1 ZINC000255336908 455865250 /nfs/dbraw/zinc/86/52/50/455865250.db2.gz QJMKQKITKURHMB-IMXKFXGHSA-N 1 1 326.400 3.450 10 5 EGBEMO C[C@H]1C[C@H](N(C)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000301411794 456110066 /nfs/dbraw/zinc/11/00/66/456110066.db2.gz KJXWKHSMLMCVCY-CMPLNLGQSA-N 1 1 342.237 3.276 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000340153642 456284271 /nfs/dbraw/zinc/28/42/71/456284271.db2.gz TWRGAOCUXTVGML-OAHLLOKOSA-N 1 1 340.427 3.398 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000302190865 456312697 /nfs/dbraw/zinc/31/26/97/456312697.db2.gz VNYBOLVSQFGKAZ-BPQIPLTHSA-N 1 1 338.411 3.312 10 5 EGBEMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310076915 456579572 /nfs/dbraw/zinc/57/95/72/456579572.db2.gz GXNLKFLZXPIPDB-INIZCTEOSA-N 1 1 326.400 3.314 10 5 EGBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000310891801 456584771 /nfs/dbraw/zinc/58/47/71/456584771.db2.gz ZENARDGNMOQOHN-IXDOHACOSA-N 1 1 338.411 3.312 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000291718782 456731813 /nfs/dbraw/zinc/73/18/13/456731813.db2.gz IYQYXKGPSQLWGO-KRWDZBQOSA-N 1 1 337.395 3.363 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000348819248 456870135 /nfs/dbraw/zinc/87/01/35/456870135.db2.gz WCCZKQQRQTYBFA-UHFFFAOYSA-N 1 1 331.416 3.450 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000348819248 456870136 /nfs/dbraw/zinc/87/01/36/456870136.db2.gz WCCZKQQRQTYBFA-UHFFFAOYSA-N 1 1 331.416 3.450 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CN(C)CCC[N@@H+](C)Cc1ccco1 ZINC000348819248 456870138 /nfs/dbraw/zinc/87/01/38/456870138.db2.gz WCCZKQQRQTYBFA-UHFFFAOYSA-N 1 1 331.416 3.450 10 5 EGBEMO C[N@@H+](CCNc1ncnc2sc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000341801229 456949955 /nfs/dbraw/zinc/94/99/55/456949955.db2.gz UBPRNCLNDLGQMD-UHFFFAOYSA-N 1 1 335.433 3.276 10 5 EGBEMO CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349840627 457073000 /nfs/dbraw/zinc/07/30/00/457073000.db2.gz RPTJISRFPHIYSE-LJQANCHMSA-N 1 1 325.412 3.301 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000354533860 457274232 /nfs/dbraw/zinc/27/42/32/457274232.db2.gz LKXDKLULHRFXND-HOCLYGCPSA-N 1 1 333.432 3.345 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375399552 457914561 /nfs/dbraw/zinc/91/45/61/457914561.db2.gz CCRFVZRHCWOWGB-UJAVWCLSSA-N 1 1 340.383 3.358 10 5 EGBEMO Cc1ccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1[N+](=O)[O-] ZINC000375406504 457919120 /nfs/dbraw/zinc/91/91/20/457919120.db2.gz UKESIOIKKNEZSQ-AWEZNQCLSA-N 1 1 328.372 3.153 10 5 EGBEMO Cc1c(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000375467268 457940441 /nfs/dbraw/zinc/94/04/41/457940441.db2.gz YAHQPAKOGNAOFS-AWEZNQCLSA-N 1 1 328.372 3.153 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCCC[C@H]1C ZINC000358398286 457978510 /nfs/dbraw/zinc/97/85/10/457978510.db2.gz MGTZHCXGIZGZIC-CYBMUJFWSA-N 1 1 335.404 3.197 10 5 EGBEMO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526878 458081912 /nfs/dbraw/zinc/08/19/12/458081912.db2.gz YIQKDHZYMRZNAH-IRXDYDNUSA-N 1 1 348.447 3.170 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000430199690 458419457 /nfs/dbraw/zinc/41/94/57/458419457.db2.gz DKDRBACJPDWPJH-FZKQIMNGSA-N 1 1 342.395 3.427 10 5 EGBEMO CCOc1cc(N2CCC(n3c[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC000439126494 458659267 /nfs/dbraw/zinc/65/92/67/458659267.db2.gz BGWBTPYWPYYHET-UHFFFAOYSA-N 1 1 330.388 3.340 10 5 EGBEMO CCn1c2cc(F)ccc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1C ZINC000463508661 458708162 /nfs/dbraw/zinc/70/81/62/458708162.db2.gz XHMIOLPSFSBVPQ-UHFFFAOYSA-N 1 1 328.347 3.446 10 5 EGBEMO Cc1ccnc([C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000566429614 458929809 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EGBEMO O=C(C[N@H+]1CCCC[C@@H]1C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171751748 1384626084 /nfs/dbraw/zinc/62/60/84/1384626084.db2.gz OEJXKTHPBMIMQA-QGZVFWFLSA-N 1 1 343.427 3.139 10 5 EGBEMO CCn1nc(C)c(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC001175128056 1385199367 /nfs/dbraw/zinc/19/93/67/1385199367.db2.gz HVKGLQSWHZMZAM-UHFFFAOYSA-N 1 1 346.431 3.329 10 5 EGBEMO C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001175613174 1385351120 /nfs/dbraw/zinc/35/11/20/1385351120.db2.gz WBWAAMZBFVSIMU-SFHVURJKSA-N 1 1 325.368 3.242 10 5 EGBEMO C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001175613173 1385351138 /nfs/dbraw/zinc/35/11/38/1385351138.db2.gz WBWAAMZBFVSIMU-GOSISDBHSA-N 1 1 325.368 3.242 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001332022300 1389949531 /nfs/dbraw/zinc/94/95/31/1389949531.db2.gz WNBWENDZXUPPFO-UHFFFAOYSA-N 1 1 334.416 3.242 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001350450641 1391466477 /nfs/dbraw/zinc/46/64/77/1391466477.db2.gz CBGGNKUPFRRBPY-UONOGXRCSA-N 1 1 333.432 3.204 10 5 EGBEMO CC(C)CC(C)(C)C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001481653055 1394433175 /nfs/dbraw/zinc/43/31/75/1394433175.db2.gz BJQSGYYIIYNCCG-UHFFFAOYSA-N 1 1 347.459 3.215 10 5 EGBEMO CC[N@@H+](CCNC(=O)C1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001492906302 1396328777 /nfs/dbraw/zinc/32/87/77/1396328777.db2.gz CORBEQPXCZILBP-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1cccc(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001713479778 1418165017 /nfs/dbraw/zinc/16/50/17/1418165017.db2.gz AZARAHRRCMXCEP-UHFFFAOYSA-N 1 1 341.411 3.155 10 5 EGBEMO CCC[N@H+](CCNC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001713546039 1418315831 /nfs/dbraw/zinc/31/58/31/1418315831.db2.gz VRSACNFHRLFVBP-UHFFFAOYSA-N 1 1 341.411 3.237 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC001713546039 1418315834 /nfs/dbraw/zinc/31/58/34/1418315834.db2.gz VRSACNFHRLFVBP-UHFFFAOYSA-N 1 1 341.411 3.237 10 5 EGBEMO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001714853476 1419566429 /nfs/dbraw/zinc/56/64/29/1419566429.db2.gz XBPUTIRRTFVSMX-HDICACEKSA-N 1 1 345.443 3.350 10 5 EGBEMO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001714853476 1419566431 /nfs/dbraw/zinc/56/64/31/1419566431.db2.gz XBPUTIRRTFVSMX-HDICACEKSA-N 1 1 345.443 3.350 10 5 EGBEMO CC(C(=O)NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1)=C1CCCC1 ZINC001715806625 1420351288 /nfs/dbraw/zinc/35/12/88/1420351288.db2.gz LNELZJLXSQPZAO-PLNGDYQASA-N 1 1 349.456 3.309 10 5 EGBEMO Cc1cc(C(=O)N(C)CCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)co1 ZINC001717206348 1421177178 /nfs/dbraw/zinc/17/71/78/1421177178.db2.gz HKTPDPPVXBIOTM-UHFFFAOYSA-N 1 1 345.399 3.090 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(C)C ZINC001724847594 1425202620 /nfs/dbraw/zinc/20/26/20/1425202620.db2.gz WKXOLUSJDRVELV-UHFFFAOYSA-N 1 1 335.448 3.311 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/C(C)(C)C ZINC001724848787 1425207632 /nfs/dbraw/zinc/20/76/32/1425207632.db2.gz RRWRNISRKRVQQJ-ZHACJKMWSA-N 1 1 347.459 3.477 10 5 EGBEMO O=C(CC1CCC1)NCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001725811290 1426488965 /nfs/dbraw/zinc/48/89/65/1426488965.db2.gz CLIJJLQBFPQLEC-UHFFFAOYSA-N 1 1 343.427 3.033 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1occc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001731299895 1427242352 /nfs/dbraw/zinc/24/23/52/1427242352.db2.gz JWUGOGYMRRCCTM-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C2 ZINC000092634639 218155978 /nfs/dbraw/zinc/15/59/78/218155978.db2.gz MOIXOBDRPGDACZ-LLVKDONJSA-N 1 1 338.314 3.128 10 5 EGBEMO C[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000093645063 218238417 /nfs/dbraw/zinc/23/84/17/218238417.db2.gz KIJXKTNRIOVRMC-DGCLKSJQSA-N 1 1 343.374 3.111 10 5 EGBEMO CCOC(=O)[C@H]1CCC[C@@H]1[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000095457020 218399829 /nfs/dbraw/zinc/39/98/29/218399829.db2.gz QFRVEVKHKCAMSG-IRXDYDNUSA-N 1 1 332.400 3.291 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246961736 141046208 /nfs/dbraw/zinc/04/62/08/141046208.db2.gz JTLJYHWIJDJPLN-DOMZBBRYSA-N 1 1 329.356 3.352 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246961736 141046210 /nfs/dbraw/zinc/04/62/10/141046210.db2.gz JTLJYHWIJDJPLN-DOMZBBRYSA-N 1 1 329.356 3.352 10 5 EGBEMO CC[C@H](NC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346268283 141188440 /nfs/dbraw/zinc/18/84/40/141188440.db2.gz FBRAEPMJUCTCPU-ZQIUZPCESA-N 1 1 348.447 3.170 10 5 EGBEMO COc1cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925197 141218238 /nfs/dbraw/zinc/21/82/38/141218238.db2.gz GSLDTBJJIAQUNC-GDBMZVCRSA-N 1 1 347.459 3.346 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363776687 144364966 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3.135 10 5 EGBEMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000269659439 266335584 /nfs/dbraw/zinc/33/55/84/266335584.db2.gz PSWHASQTEACDDE-NIKGAXFTSA-N 1 1 342.395 3.090 10 5 EGBEMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000269659439 266335587 /nfs/dbraw/zinc/33/55/87/266335587.db2.gz PSWHASQTEACDDE-NIKGAXFTSA-N 1 1 342.395 3.090 10 5 EGBEMO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000269389684 274096982 /nfs/dbraw/zinc/09/69/82/274096982.db2.gz CEMPRYVVFQZFBH-SWLSCSKDSA-N 1 1 349.406 3.196 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000156824952 275035468 /nfs/dbraw/zinc/03/54/68/275035468.db2.gz AXXZVUGDXINGKE-CQSZACIVSA-N 1 1 330.306 3.226 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368099887 275040113 /nfs/dbraw/zinc/04/01/13/275040113.db2.gz GLLZTABQGDMERI-NUEKZKHPSA-N 1 1 340.427 3.176 10 5 EGBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278915162 275287251 /nfs/dbraw/zinc/28/72/51/275287251.db2.gz WETKIEDRTCHBIM-WDEREUQCSA-N 1 1 345.321 3.196 10 5 EGBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278915162 275287252 /nfs/dbraw/zinc/28/72/52/275287252.db2.gz WETKIEDRTCHBIM-WDEREUQCSA-N 1 1 345.321 3.196 10 5 EGBEMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000266493588 278268513 /nfs/dbraw/zinc/26/85/13/278268513.db2.gz TYNMOEMPXGREPR-STQMWFEESA-N 1 1 348.424 3.410 10 5 EGBEMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000060333645 307350845 /nfs/dbraw/zinc/35/08/45/307350845.db2.gz BNCAEOIBPBOWJX-HNNXBMFYSA-N 1 1 342.395 3.406 10 5 EGBEMO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C ZINC000249148932 308020229 /nfs/dbraw/zinc/02/02/29/308020229.db2.gz GWNDBJGIXHEQOP-IINYFYTJSA-N 1 1 330.331 3.053 10 5 EGBEMO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@@H]1C ZINC000249148932 308020231 /nfs/dbraw/zinc/02/02/31/308020231.db2.gz GWNDBJGIXHEQOP-IINYFYTJSA-N 1 1 330.331 3.053 10 5 EGBEMO Cc1[nH+]ccn1Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C)c1 ZINC000301546760 308704687 /nfs/dbraw/zinc/70/46/87/308704687.db2.gz UGRXEFDUZKINNW-UHFFFAOYSA-N 1 1 337.383 3.464 10 5 EGBEMO O=[N+]([O-])c1cnc(N2CCC(c3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000413095863 309015833 /nfs/dbraw/zinc/01/58/33/309015833.db2.gz AJTOWNTXWPUXSO-UHFFFAOYSA-N 1 1 341.293 3.116 10 5 EGBEMO Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419476 310060472 /nfs/dbraw/zinc/06/04/72/310060472.db2.gz HNCNFMWJZHSEFT-PKOBYXMFSA-N 1 1 344.386 3.203 10 5 EGBEMO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419476 310060473 /nfs/dbraw/zinc/06/04/73/310060473.db2.gz HNCNFMWJZHSEFT-PKOBYXMFSA-N 1 1 344.386 3.203 10 5 EGBEMO C[C@@]12C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448566 310062748 /nfs/dbraw/zinc/06/27/48/310062748.db2.gz IFLQXCYFPAABKQ-VWRIWDLUSA-N 1 1 342.395 3.105 10 5 EGBEMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000450361526 310117782 /nfs/dbraw/zinc/11/77/82/310117782.db2.gz FQSVPJXWKZYXMK-QGZVFWFLSA-N 1 1 340.427 3.338 10 5 EGBEMO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000487718756 311035209 /nfs/dbraw/zinc/03/52/09/311035209.db2.gz FPWCMGUGUHEQAR-LSDHHAIUSA-N 1 1 348.447 3.138 10 5 EGBEMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000428503457 458159120 /nfs/dbraw/zinc/15/91/20/458159120.db2.gz MFTIPBOQPJIXQX-LBPRGKRZSA-N 1 1 341.839 3.407 10 5 EGBEMO C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025501102 453774627 /nfs/dbraw/zinc/77/46/27/453774627.db2.gz DTORSLMVAAOCQQ-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000089908027 454231945 /nfs/dbraw/zinc/23/19/45/454231945.db2.gz QKPOGSJDFQUVAQ-DYVFJYSZSA-N 1 1 344.415 3.164 10 5 EGBEMO CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090687984 454336265 /nfs/dbraw/zinc/33/62/65/454336265.db2.gz FQCYQTSIGAXQPY-KMFMINBZSA-N 1 1 348.447 3.170 10 5 EGBEMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050486 454606638 /nfs/dbraw/zinc/60/66/38/454606638.db2.gz COKCLKNUFBKODL-JSGCOSHPSA-N 1 1 339.461 3.173 10 5 EGBEMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050486 454606643 /nfs/dbraw/zinc/60/66/43/454606643.db2.gz COKCLKNUFBKODL-JSGCOSHPSA-N 1 1 339.461 3.173 10 5 EGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000106206371 454684075 /nfs/dbraw/zinc/68/40/75/454684075.db2.gz UKDZKEYNDNYRSD-QGZVFWFLSA-N 1 1 344.415 3.161 10 5 EGBEMO CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176690603 454772070 /nfs/dbraw/zinc/77/20/70/454772070.db2.gz NMMUTMWSPIDJGX-SJORKVTESA-N 1 1 348.447 3.172 10 5 EGBEMO COc1ccc(-c2ccc(C[N@@H+](C)C[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000128058144 455021894 /nfs/dbraw/zinc/02/18/94/455021894.db2.gz WNRBDURNZOWNEC-AWEZNQCLSA-N 1 1 346.383 3.474 10 5 EGBEMO Cc1c(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000245917730 455398138 /nfs/dbraw/zinc/39/81/38/455398138.db2.gz SDIATDYJUZHUFX-JKSUJKDBSA-N 1 1 336.457 3.390 10 5 EGBEMO Cc1sc(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000182090936 455433108 /nfs/dbraw/zinc/43/31/08/455433108.db2.gz WBRHIPZANLKYFA-LBPRGKRZSA-N 1 1 347.440 3.215 10 5 EGBEMO CC(C)C[C@H](CO)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185350948 455546920 /nfs/dbraw/zinc/54/69/20/455546920.db2.gz DLRIAHWIZACKHA-MRXNPFEDSA-N 1 1 333.388 3.089 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000278147537 455770014 /nfs/dbraw/zinc/77/00/14/455770014.db2.gz RENMZXSGUDSINL-LBPRGKRZSA-N 1 1 339.823 3.161 10 5 EGBEMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1c1ccccc1[N+](=O)[O-] ZINC000252484570 455809893 /nfs/dbraw/zinc/80/98/93/455809893.db2.gz FZNKKYXOZHCMJN-GJZGRUSLSA-N 1 1 335.448 3.045 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285568164 455871511 /nfs/dbraw/zinc/87/15/11/455871511.db2.gz NNVHWVAJWKBSBY-FZMZJTMJSA-N 1 1 332.322 3.435 10 5 EGBEMO C[C@@H]1C[N@H+](CCC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000301532350 456139578 /nfs/dbraw/zinc/13/95/78/456139578.db2.gz HZXPCYRXBYXKIU-IYBDPMFKSA-N 1 1 347.459 3.311 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601115850 460716129 /nfs/dbraw/zinc/71/61/29/460716129.db2.gz DHSHFLYSOGDFIA-KGLIPLIRSA-N 1 1 336.411 3.220 10 5 EGBEMO CCOc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000301810339 456220667 /nfs/dbraw/zinc/22/06/67/456220667.db2.gz ZCTNXYHTDXBMQW-CQSZACIVSA-N 1 1 333.432 3.447 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301967901 456260548 /nfs/dbraw/zinc/26/05/48/456260548.db2.gz XCQHBWXENIPALS-DGCLKSJQSA-N 1 1 341.358 3.259 10 5 EGBEMO C[N@@H+]1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000340285870 456362294 /nfs/dbraw/zinc/36/22/94/456362294.db2.gz MFSIWVIHIFFWDT-AEFFLSMTSA-N 1 1 329.375 3.269 10 5 EGBEMO C[N@H+]1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000340285870 456362302 /nfs/dbraw/zinc/36/23/02/456362302.db2.gz MFSIWVIHIFFWDT-AEFFLSMTSA-N 1 1 329.375 3.269 10 5 EGBEMO C[N@@H+]1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000340285876 456362510 /nfs/dbraw/zinc/36/25/10/456362510.db2.gz MFSIWVIHIFFWDT-WMZOPIPTSA-N 1 1 329.375 3.269 10 5 EGBEMO C[N@H+]1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000340285876 456362518 /nfs/dbraw/zinc/36/25/18/456362518.db2.gz MFSIWVIHIFFWDT-WMZOPIPTSA-N 1 1 329.375 3.269 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccccc1OC(F)F)CC2 ZINC000352997994 456437229 /nfs/dbraw/zinc/43/72/29/456437229.db2.gz BGBAHYFERUMKKP-UHFFFAOYSA-N 1 1 335.310 3.150 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccccc1OC(F)F)CC2 ZINC000352997994 456437234 /nfs/dbraw/zinc/43/72/34/456437234.db2.gz BGBAHYFERUMKKP-UHFFFAOYSA-N 1 1 335.310 3.150 10 5 EGBEMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H](CC)CN1C(C)=O ZINC000349974455 457129114 /nfs/dbraw/zinc/12/91/14/457129114.db2.gz MSJRPUYBSUFYKT-IAGOWNOFSA-N 1 1 333.432 3.125 10 5 EGBEMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351977533 457326640 /nfs/dbraw/zinc/32/66/40/457326640.db2.gz ITIKASLZLCLOLA-UHFFFAOYSA-N 1 1 344.367 3.354 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355221385 457348206 /nfs/dbraw/zinc/34/82/06/457348206.db2.gz LIMPEXOTIKILLO-HUUCEWRRSA-N 1 1 334.416 3.242 10 5 EGBEMO COCC[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697979 457462114 /nfs/dbraw/zinc/46/21/14/457462114.db2.gz FAVHLTRPEJIPTH-LSDHHAIUSA-N 1 1 349.431 3.060 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000364520735 457631112 /nfs/dbraw/zinc/63/11/12/457631112.db2.gz WRJIGWGLTSILRT-UHFFFAOYSA-N 1 1 343.387 3.346 10 5 EGBEMO CCC[N@@H+](C[C@H]1CCCCO1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366333 457865835 /nfs/dbraw/zinc/86/58/35/457865835.db2.gz JHVRAPQMOYNLIM-HUUCEWRRSA-N 1 1 349.431 3.203 10 5 EGBEMO Cc1ccc2ncc(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)cc2c1 ZINC000411474620 457897075 /nfs/dbraw/zinc/89/70/75/457897075.db2.gz CJHIPKYKLVESAF-UHFFFAOYSA-N 1 1 334.379 3.405 10 5 EGBEMO Cc1ccc2ncc(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)cc2c1 ZINC000411474620 457897083 /nfs/dbraw/zinc/89/70/83/457897083.db2.gz CJHIPKYKLVESAF-UHFFFAOYSA-N 1 1 334.379 3.405 10 5 EGBEMO CC[C@@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458493397 458069689 /nfs/dbraw/zinc/06/96/89/458069689.db2.gz GSCICTIWNKUSCG-WMLDXEAASA-N 1 1 348.447 3.077 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000446241349 458166854 /nfs/dbraw/zinc/16/68/54/458166854.db2.gz NJWLRFUSAIJKDK-UHFFFAOYSA-N 1 1 348.790 3.300 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000595825164 459453711 /nfs/dbraw/zinc/45/37/11/459453711.db2.gz CHYSSMYRTXZDBA-KRWDZBQOSA-N 1 1 341.411 3.314 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccccc1 ZINC000485983757 459482530 /nfs/dbraw/zinc/48/25/30/459482530.db2.gz YCMBVLAHGRGEIZ-AZUAARDMSA-N 1 1 348.406 3.422 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000541769448 459490118 /nfs/dbraw/zinc/49/01/18/459490118.db2.gz XXTYSTYKCDIGAO-IBGZPJMESA-N 1 1 325.412 3.392 10 5 EGBEMO CCCN(C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000591976298 459501783 /nfs/dbraw/zinc/50/17/83/459501783.db2.gz QFXRWSHBRLLPKN-SJORKVTESA-N 1 1 348.447 3.172 10 5 EGBEMO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542210134 459535391 /nfs/dbraw/zinc/53/53/91/459535391.db2.gz NWZJQQJOJDAGED-HZPDHXFCSA-N 1 1 344.411 3.336 10 5 EGBEMO COc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Cl)cc1[N+](=O)[O-] ZINC000596243037 459573250 /nfs/dbraw/zinc/57/32/50/459573250.db2.gz FBTHJSZENFPRTG-INIZCTEOSA-N 1 1 339.823 3.179 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596308814 459592100 /nfs/dbraw/zinc/59/21/00/459592100.db2.gz VYLORGYZDFSGRO-JTQLQIEISA-N 1 1 343.225 3.037 10 5 EGBEMO Cc1ccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596425519 459633761 /nfs/dbraw/zinc/63/37/61/459633761.db2.gz ZMRAGZXPSVEZLG-QGZVFWFLSA-N 1 1 341.411 3.082 10 5 EGBEMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000543631911 459678006 /nfs/dbraw/zinc/67/80/06/459678006.db2.gz OQUYZTOHXRLNHG-WBVHZDCISA-N 1 1 347.459 3.420 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000544106278 459726866 /nfs/dbraw/zinc/72/68/66/459726866.db2.gz DDNMPXTYOWLNSJ-GFCCVEGCSA-N 1 1 337.807 3.475 10 5 EGBEMO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593071915 459763998 /nfs/dbraw/zinc/76/39/98/459763998.db2.gz WNSZDKRCTOGWLM-ZDUSSCGKSA-N 1 1 343.221 3.358 10 5 EGBEMO O=[N+]([O-])c1ccc(CN(Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)cc1 ZINC000566351779 459846440 /nfs/dbraw/zinc/84/64/40/459846440.db2.gz CDLYUAJTUCQLNP-UHFFFAOYSA-N 1 1 337.423 3.405 10 5 EGBEMO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@H+](C2CCC2)C1 ZINC000593472723 459899923 /nfs/dbraw/zinc/89/99/23/459899923.db2.gz IZCBWXXBYSPESQ-CQSZACIVSA-N 1 1 340.427 3.454 10 5 EGBEMO CC[N@@H+](CCc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494951 460095497 /nfs/dbraw/zinc/09/54/97/460095497.db2.gz CDIJLNCWJIFTEI-UHFFFAOYSA-N 1 1 342.395 3.446 10 5 EGBEMO Cc1cc[nH+]c(N2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)c1 ZINC000599057625 460144117 /nfs/dbraw/zinc/14/41/17/460144117.db2.gz QNTGOPYWWOCNIN-UHFFFAOYSA-N 1 1 349.394 3.173 10 5 EGBEMO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@@H+](CC)C1 ZINC000598040926 460150924 /nfs/dbraw/zinc/15/09/24/460150924.db2.gz JJKDGBMWYBUTDM-AWEZNQCLSA-N 1 1 347.440 3.366 10 5 EGBEMO C[C@@H]1C[N@@H+](CCCNc2ccc3cnccc3c2[N+](=O)[O-])CCCO1 ZINC000599072342 460151493 /nfs/dbraw/zinc/15/14/93/460151493.db2.gz CHGZWRJUCYXMLI-CQSZACIVSA-N 1 1 344.415 3.056 10 5 EGBEMO CC[C@H](NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610529761 460177299 /nfs/dbraw/zinc/17/72/99/460177299.db2.gz OGEKMNYHMRQVMX-PBHICJAKSA-N 1 1 348.447 3.075 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000610678047 460213035 /nfs/dbraw/zinc/21/30/35/460213035.db2.gz PPCAALUEXGOXIN-UHFFFAOYSA-N 1 1 336.395 3.324 10 5 EGBEMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599630580 460293058 /nfs/dbraw/zinc/29/30/58/460293058.db2.gz SNURXQRWILZDJS-INIZCTEOSA-N 1 1 332.379 3.199 10 5 EGBEMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000600229102 460450887 /nfs/dbraw/zinc/45/08/87/460450887.db2.gz PHJJPVZISUMLST-INIZCTEOSA-N 1 1 331.416 3.040 10 5 EGBEMO CSc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600472464 460500541 /nfs/dbraw/zinc/50/05/41/460500541.db2.gz ZFSVHTSTDGTNCQ-ZDUSSCGKSA-N 1 1 349.456 3.063 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000611983774 460501037 /nfs/dbraw/zinc/50/10/37/460501037.db2.gz JKWYTNUQAJIIQK-INIZCTEOSA-N 1 1 341.411 3.453 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000191392667 534055822 /nfs/dbraw/zinc/05/58/22/534055822.db2.gz KLWFZQCEOUXFII-AWEZNQCLSA-N 1 1 334.420 3.208 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000246559086 536167903 /nfs/dbraw/zinc/16/79/03/536167903.db2.gz MAMFJYYIYRUZCN-STQMWFEESA-N 1 1 349.456 3.016 10 5 EGBEMO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043406 1296692639 /nfs/dbraw/zinc/69/26/39/1296692639.db2.gz HWBQNRGBKATXIG-JSGCOSHPSA-N 1 1 349.406 3.176 10 5 EGBEMO C[C@@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872067030 1296713792 /nfs/dbraw/zinc/71/37/92/1296713792.db2.gz UBOGCEZVRPIHGV-WDEREUQCSA-N 1 1 341.383 3.298 10 5 EGBEMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000872091546 1296730314 /nfs/dbraw/zinc/73/03/14/1296730314.db2.gz JHASIMQAFYBDHQ-IAQYHMDHSA-N 1 1 349.456 3.121 10 5 EGBEMO CCOc1cccc(N2CCC[C@H](n3cc[nH+]c3C)C2)c1[N+](=O)[O-] ZINC000762802597 1301752530 /nfs/dbraw/zinc/75/25/30/1301752530.db2.gz ZBZWDALNZXETFA-AWEZNQCLSA-N 1 1 330.388 3.340 10 5 EGBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000882120575 1301838314 /nfs/dbraw/zinc/83/83/14/1301838314.db2.gz XMEQTCJXMXWNCL-GOEBONIOSA-N 1 1 343.427 3.251 10 5 EGBEMO CC(C)c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000895848249 1309557139 /nfs/dbraw/zinc/55/71/39/1309557139.db2.gz YYLQWZCTXIZKIR-HNNXBMFYSA-N 1 1 346.349 3.465 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000895848249 1309557145 /nfs/dbraw/zinc/55/71/45/1309557145.db2.gz YYLQWZCTXIZKIR-HNNXBMFYSA-N 1 1 346.349 3.465 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3CF)C2)nc1 ZINC000929985289 1328757440 /nfs/dbraw/zinc/75/74/40/1328757440.db2.gz BBNRXGYWNSLECB-OAHLLOKOSA-N 1 1 330.363 3.146 10 5 EGBEMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000930126684 1328791435 /nfs/dbraw/zinc/79/14/35/1328791435.db2.gz PIYJTJQSDHHPIE-MRVPVSSYSA-N 1 1 335.148 3.444 10 5 EGBEMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000930126684 1328791438 /nfs/dbraw/zinc/79/14/38/1328791438.db2.gz PIYJTJQSDHHPIE-MRVPVSSYSA-N 1 1 335.148 3.444 10 5 EGBEMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CC[C@H](O)CC1 ZINC000930248100 1328819837 /nfs/dbraw/zinc/81/98/37/1328819837.db2.gz JPUUHGZCILUMEO-AULYBMBSSA-N 1 1 343.221 3.093 10 5 EGBEMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CC[C@H](O)CC1 ZINC000930248100 1328819841 /nfs/dbraw/zinc/81/98/41/1328819841.db2.gz JPUUHGZCILUMEO-AULYBMBSSA-N 1 1 343.221 3.093 10 5 EGBEMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859556230 1329016473 /nfs/dbraw/zinc/01/64/73/1329016473.db2.gz IMMFOSBXQNLDNC-SCLBCKFNSA-N 1 1 341.411 3.160 10 5 EGBEMO COc1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1[N+](=O)[O-] ZINC000924841623 1323184362 /nfs/dbraw/zinc/18/43/62/1323184362.db2.gz KQVDNWJHFUBPIA-CYBMUJFWSA-N 1 1 333.775 3.429 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000859927625 1329112476 /nfs/dbraw/zinc/11/24/76/1329112476.db2.gz NBHUQZHLULJMFY-IJXRJRJASA-N 1 1 338.407 3.364 10 5 EGBEMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[N@H+]1C1CC1 ZINC000859964930 1329120344 /nfs/dbraw/zinc/12/03/44/1329120344.db2.gz MJFFROZXUGQKAL-TZMCWYRMSA-N 1 1 339.395 3.103 10 5 EGBEMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861938537 1329451770 /nfs/dbraw/zinc/45/17/70/1329451770.db2.gz KDLFILKADJXDIU-OAHLLOKOSA-N 1 1 341.411 3.303 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862482994 1329489910 /nfs/dbraw/zinc/48/99/10/1329489910.db2.gz NFGNTQDAMAPOEA-IBGZPJMESA-N 1 1 326.396 3.387 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC[C@@H]21 ZINC000866207744 1330078689 /nfs/dbraw/zinc/07/86/89/1330078689.db2.gz JOMNWQWQJPQFRH-HIFRSBDPSA-N 1 1 333.432 3.303 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000866480883 1330117486 /nfs/dbraw/zinc/11/74/86/1330117486.db2.gz MAPKFXWBOXHUPZ-CVEARBPZSA-N 1 1 346.456 3.293 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866690036 1330141603 /nfs/dbraw/zinc/14/16/03/1330141603.db2.gz ULVSOFIYHPASGV-CYBMUJFWSA-N 1 1 327.384 3.441 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866690036 1330141605 /nfs/dbraw/zinc/14/16/05/1330141605.db2.gz ULVSOFIYHPASGV-CYBMUJFWSA-N 1 1 327.384 3.441 10 5 EGBEMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001141184510 1378262041 /nfs/dbraw/zinc/26/20/41/1378262041.db2.gz ZPRDNYCOLMZTPA-UHFFFAOYSA-N 1 1 345.403 3.374 10 5 EGBEMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001148165459 1379127318 /nfs/dbraw/zinc/12/73/18/1379127318.db2.gz PIAZTRNVNHLASR-CYBMUJFWSA-N 1 1 339.823 3.195 10 5 EGBEMO CC(C)(C)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001307848334 1384041183 /nfs/dbraw/zinc/04/11/83/1384041183.db2.gz XRPBNDKGYQHVNJ-WMLDXEAASA-N 1 1 345.443 3.458 10 5 EGBEMO C[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC001307886843 1384050740 /nfs/dbraw/zinc/05/07/40/1384050740.db2.gz CVBXIEUJZVCURP-OAHLLOKOSA-N 1 1 325.840 3.410 10 5 EGBEMO C[C@@H](C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC001307994393 1384069812 /nfs/dbraw/zinc/06/98/12/1384069812.db2.gz ZEGNHJAPVNJINZ-ZDUSSCGKSA-N 1 1 333.432 3.342 10 5 EGBEMO COC(=O)[C@H]1CCCC[C@@H]1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169665707 1384170644 /nfs/dbraw/zinc/17/06/44/1384170644.db2.gz FIJABZKZZMDRJV-WBVHZDCISA-N 1 1 334.416 3.049 10 5 EGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC001171017542 1384430397 /nfs/dbraw/zinc/43/03/97/1384430397.db2.gz FEXOQJAZYSWKKM-IRXDYDNUSA-N 1 1 328.416 3.368 10 5 EGBEMO COc1cc(C[N@H+]2CCCSC[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC001176649783 1385646697 /nfs/dbraw/zinc/64/66/97/1385646697.db2.gz LVUIRKQRGAGPAT-OAHLLOKOSA-N 1 1 340.420 3.460 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c1 ZINC001329581094 1389166270 /nfs/dbraw/zinc/16/62/70/1389166270.db2.gz CUGRHCIGQGMMJI-KGLIPLIRSA-N 1 1 338.429 3.097 10 5 EGBEMO CCCCCC(=O)NCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001333290896 1390277090 /nfs/dbraw/zinc/27/70/90/1390277090.db2.gz KYXDZVIMLFUTSC-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc4ccccc4c4cccnc34)[C@H]2C1 ZINC001350915940 1391557858 /nfs/dbraw/zinc/55/78/58/1391557858.db2.gz OBBMOIPXVXOBDZ-RYGJVYDSSA-N 1 1 345.446 3.458 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC001707439382 1417343731 /nfs/dbraw/zinc/34/37/31/1417343731.db2.gz PDHQZYSENOAABJ-UHFFFAOYSA-N 1 1 347.440 3.298 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1(C2CC2)CC1 ZINC001717207749 1421179055 /nfs/dbraw/zinc/17/90/55/1421179055.db2.gz NPWWZHHZHNZDGW-UHFFFAOYSA-N 1 1 345.443 3.065 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC=CC1 ZINC001733776573 1430024111 /nfs/dbraw/zinc/02/41/11/1430024111.db2.gz ORHMZJNPKZWOOZ-UHFFFAOYSA-N 1 1 345.443 3.231 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368099884 168310849 /nfs/dbraw/zinc/31/08/49/168310849.db2.gz GLLZTABQGDMERI-BPUTZDHNSA-N 1 1 340.427 3.176 10 5 EGBEMO COc1cc(OC)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000119706937 221383308 /nfs/dbraw/zinc/38/33/08/221383308.db2.gz WOKYOZBPOPXAKT-LBPRGKRZSA-N 1 1 346.383 3.471 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191241777 153182640 /nfs/dbraw/zinc/18/26/40/153182640.db2.gz MZUJJRDRRAOEPY-UHFFFAOYSA-N 1 1 342.321 3.246 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000191241777 153182646 /nfs/dbraw/zinc/18/26/46/153182646.db2.gz MZUJJRDRRAOEPY-UHFFFAOYSA-N 1 1 342.321 3.246 10 5 EGBEMO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194852482 153362319 /nfs/dbraw/zinc/36/23/19/153362319.db2.gz KYXIRNKEMVAZLC-OAHLLOKOSA-N 1 1 343.339 3.425 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000341051331 155129921 /nfs/dbraw/zinc/12/99/21/155129921.db2.gz DTEFJUWZOFFRBT-BETUJISGSA-N 1 1 344.415 3.069 10 5 EGBEMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960090 164073126 /nfs/dbraw/zinc/07/31/26/164073126.db2.gz HTSMDJBEMPLUHC-OCCSQVGLSA-N 1 1 347.415 3.052 10 5 EGBEMO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367495 165036876 /nfs/dbraw/zinc/03/68/76/165036876.db2.gz OMJNZGGIZYIFSW-YJBOKZPZSA-N 1 1 335.448 3.089 10 5 EGBEMO COc1cc(C[N@@H+](C)CCOc2ccccc2F)ccc1[N+](=O)[O-] ZINC000351970682 165173929 /nfs/dbraw/zinc/17/39/29/165173929.db2.gz HGGKJXIHPPVMCW-UHFFFAOYSA-N 1 1 334.347 3.253 10 5 EGBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359567085 167196750 /nfs/dbraw/zinc/19/67/50/167196750.db2.gz WKNWDJVETLCTDM-GLJUWKHASA-N 1 1 331.416 3.434 10 5 EGBEMO CCC[N@@H+](CC)CCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176403983 265176237 /nfs/dbraw/zinc/17/62/37/265176237.db2.gz AJQRVACDYPMEOJ-MRXNPFEDSA-N 1 1 336.436 3.077 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCN2CCCC2)c2ccccc2)c1 ZINC000180003843 265393492 /nfs/dbraw/zinc/39/34/92/265393492.db2.gz PTBMXDPLBQSQGA-IBGZPJMESA-N 1 1 325.412 3.370 10 5 EGBEMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570716 276017918 /nfs/dbraw/zinc/01/79/18/276017918.db2.gz POPWHXZFOKIQQU-QMTHXVAHSA-N 1 1 346.305 3.083 10 5 EGBEMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570716 276017920 /nfs/dbraw/zinc/01/79/20/276017920.db2.gz POPWHXZFOKIQQU-QMTHXVAHSA-N 1 1 346.305 3.083 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000288565969 276228630 /nfs/dbraw/zinc/22/86/30/276228630.db2.gz AJKFAGBDFTUTTM-AWEZNQCLSA-N 1 1 347.415 3.054 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000245519662 281019810 /nfs/dbraw/zinc/01/98/10/281019810.db2.gz ITZRNNQMBVHQPB-JKSUJKDBSA-N 1 1 347.459 3.149 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000245519662 281019811 /nfs/dbraw/zinc/01/98/11/281019811.db2.gz ITZRNNQMBVHQPB-JKSUJKDBSA-N 1 1 347.459 3.149 10 5 EGBEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294631015 308239864 /nfs/dbraw/zinc/23/98/64/308239864.db2.gz PGYGGONYLABKNI-NXEZZACHSA-N 1 1 332.322 3.347 10 5 EGBEMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000418140894 309237358 /nfs/dbraw/zinc/23/73/58/309237358.db2.gz KGRXEUFMCQDLID-QGZVFWFLSA-N 1 1 327.384 3.342 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000449303612 310051922 /nfs/dbraw/zinc/05/19/22/310051922.db2.gz XHXBWZCRBYVELX-ZFWWWQNUSA-N 1 1 342.399 3.356 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000449758635 310085008 /nfs/dbraw/zinc/08/50/08/310085008.db2.gz HECVXOFOBNQLRG-UHFFFAOYSA-N 1 1 345.365 3.362 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451351289 310173654 /nfs/dbraw/zinc/17/36/54/310173654.db2.gz ITTDDCIWPIGHKE-GVDBMIGSSA-N 1 1 334.416 3.119 10 5 EGBEMO Cc1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C1CC1 ZINC000451548850 310185416 /nfs/dbraw/zinc/18/54/16/310185416.db2.gz OQXRRXQTFZGDBB-OAHLLOKOSA-N 1 1 341.415 3.209 10 5 EGBEMO Cc1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C1CC1 ZINC000451548850 310185417 /nfs/dbraw/zinc/18/54/17/310185417.db2.gz OQXRRXQTFZGDBB-OAHLLOKOSA-N 1 1 341.415 3.209 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451895445 310202415 /nfs/dbraw/zinc/20/24/15/310202415.db2.gz DWVANBMDMJPLHN-GOSISDBHSA-N 1 1 334.416 3.385 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000492751217 311287085 /nfs/dbraw/zinc/28/70/85/311287085.db2.gz RYRXPXRNJFQOMN-JKSUJKDBSA-N 1 1 334.416 3.242 10 5 EGBEMO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000538275388 314236605 /nfs/dbraw/zinc/23/66/05/314236605.db2.gz FSNCWEXLHLZZSU-GFCCVEGCSA-N 1 1 331.347 3.332 10 5 EGBEMO COc1cc(C[NH+]2[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000547769119 314936635 /nfs/dbraw/zinc/93/66/35/314936635.db2.gz VPVNKJXVAGHJEL-NXEZZACHSA-N 1 1 330.331 3.230 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000565174594 316282593 /nfs/dbraw/zinc/28/25/93/316282593.db2.gz SIAWVCBFTDPHJR-CQSZACIVSA-N 1 1 327.384 3.296 10 5 EGBEMO COc1ccccc1N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020963947 453670703 /nfs/dbraw/zinc/67/07/03/453670703.db2.gz IYOPCCNEOIESKM-HNNXBMFYSA-N 1 1 341.411 3.487 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cs1 ZINC000084133573 453971403 /nfs/dbraw/zinc/97/14/03/453971403.db2.gz FSCLRRIJKUUJAT-MRXNPFEDSA-N 1 1 332.425 3.490 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cs1 ZINC000084133573 453971407 /nfs/dbraw/zinc/97/14/07/453971407.db2.gz FSCLRRIJKUUJAT-MRXNPFEDSA-N 1 1 332.425 3.490 10 5 EGBEMO Cc1sc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000057222596 454113590 /nfs/dbraw/zinc/11/35/90/454113590.db2.gz MJNJWPDYTUZIKI-UHFFFAOYSA-N 1 1 343.368 3.106 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000120371023 454293210 /nfs/dbraw/zinc/29/32/10/454293210.db2.gz QGDLOKDGTJVWBO-HIFRSBDPSA-N 1 1 334.420 3.097 10 5 EGBEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120650834 454330762 /nfs/dbraw/zinc/33/07/62/454330762.db2.gz YFGOVLIEGVHXDN-OAHLLOKOSA-N 1 1 343.383 3.085 10 5 EGBEMO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074775154 454633467 /nfs/dbraw/zinc/63/34/67/454633467.db2.gz NQBDIUNIFFCJFB-KRWDZBQOSA-N 1 1 326.400 3.091 10 5 EGBEMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179014152 454999072 /nfs/dbraw/zinc/99/90/72/454999072.db2.gz RKKSIBLTKGNKSF-SJORKVTESA-N 1 1 340.383 3.162 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116313726 455052291 /nfs/dbraw/zinc/05/22/91/455052291.db2.gz OAKYQQJAFDARJC-CQSZACIVSA-N 1 1 344.415 3.105 10 5 EGBEMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2C1 ZINC000171308419 455060427 /nfs/dbraw/zinc/06/04/27/455060427.db2.gz ZWDZZEVSDAEBDA-UHFFFAOYSA-N 1 1 340.383 3.276 10 5 EGBEMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2C1 ZINC000171308419 455060431 /nfs/dbraw/zinc/06/04/31/455060431.db2.gz ZWDZZEVSDAEBDA-UHFFFAOYSA-N 1 1 340.383 3.276 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152417936 455116150 /nfs/dbraw/zinc/11/61/50/455116150.db2.gz CGEMQYVWUBFESC-GFCCVEGCSA-N 1 1 345.378 3.040 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152417936 455116153 /nfs/dbraw/zinc/11/61/53/455116153.db2.gz CGEMQYVWUBFESC-GFCCVEGCSA-N 1 1 345.378 3.040 10 5 EGBEMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000156867089 455153971 /nfs/dbraw/zinc/15/39/71/455153971.db2.gz NDZWSIRAFIAPGY-CQSZACIVSA-N 1 1 341.411 3.065 10 5 EGBEMO CC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000266709754 455439894 /nfs/dbraw/zinc/43/98/94/455439894.db2.gz JCUKKOBWDQICSR-CVEARBPZSA-N 1 1 331.416 3.249 10 5 EGBEMO CC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000301792163 456214610 /nfs/dbraw/zinc/21/46/10/456214610.db2.gz RDTZHZDPGHFCHQ-ZDUSSCGKSA-N 1 1 331.416 3.251 10 5 EGBEMO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000189094118 456224748 /nfs/dbraw/zinc/22/47/48/456224748.db2.gz SIDCFVKRZZXVAG-GFCCVEGCSA-N 1 1 345.424 3.034 10 5 EGBEMO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000189094118 456224751 /nfs/dbraw/zinc/22/47/51/456224751.db2.gz SIDCFVKRZZXVAG-GFCCVEGCSA-N 1 1 345.424 3.034 10 5 EGBEMO Cn1nc2c(c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])CCCC2 ZINC000601123852 460720044 /nfs/dbraw/zinc/72/00/44/460720044.db2.gz MAXNNERSCDTOEK-UHFFFAOYSA-N 1 1 328.416 3.232 10 5 EGBEMO COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783300 456303691 /nfs/dbraw/zinc/30/36/91/456303691.db2.gz JESIROPQXCHWLJ-WBVHZDCISA-N 1 1 345.443 3.052 10 5 EGBEMO CCc1cc(NC[C@@H]2CCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301073648 456790053 /nfs/dbraw/zinc/79/00/53/456790053.db2.gz AXSDBQCZJMITJC-INIZCTEOSA-N 1 1 341.415 3.120 10 5 EGBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000339046467 456915114 /nfs/dbraw/zinc/91/51/14/456915114.db2.gz AARXRVSRYMSKGN-QGZVFWFLSA-N 1 1 341.411 3.007 10 5 EGBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000339046467 456915117 /nfs/dbraw/zinc/91/51/17/456915117.db2.gz AARXRVSRYMSKGN-QGZVFWFLSA-N 1 1 341.411 3.007 10 5 EGBEMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349974460 457129031 /nfs/dbraw/zinc/12/90/31/457129031.db2.gz MSJRPUYBSUFYKT-SJORKVTESA-N 1 1 333.432 3.125 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342226478 457179438 /nfs/dbraw/zinc/17/94/38/457179438.db2.gz QOVNFZMVOVTPMA-PHIMTYICSA-N 1 1 335.433 3.274 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000364432968 457602526 /nfs/dbraw/zinc/60/25/26/457602526.db2.gz DUOKAMFFTIQTEP-YJYMSZOUSA-N 1 1 337.379 3.252 10 5 EGBEMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000374423325 457623863 /nfs/dbraw/zinc/62/38/63/457623863.db2.gz MTUJRBUZIZLFLV-ZDUSSCGKSA-N 1 1 332.429 3.152 10 5 EGBEMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCCn2cc[nH+]c21 ZINC000364971903 457720627 /nfs/dbraw/zinc/72/06/27/457720627.db2.gz ABEYUXOKAFKEEC-VIFPVBQESA-N 1 1 341.293 3.195 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411303120 457854551 /nfs/dbraw/zinc/85/45/51/457854551.db2.gz UPHMYQMNEVNKFZ-CHWSQXEVSA-N 1 1 335.404 3.052 10 5 EGBEMO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000411464250 457894986 /nfs/dbraw/zinc/89/49/86/457894986.db2.gz XUOZDBDSSGOADJ-LBPRGKRZSA-N 1 1 329.356 3.017 10 5 EGBEMO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000427982574 458060513 /nfs/dbraw/zinc/06/05/13/458060513.db2.gz HBUNTKLKZBCTBF-ZDUSSCGKSA-N 1 1 325.368 3.417 10 5 EGBEMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000446881786 458240243 /nfs/dbraw/zinc/24/02/43/458240243.db2.gz VNBDTJWFMTUCGN-GOSISDBHSA-N 1 1 334.416 3.314 10 5 EGBEMO CC1=C[C@H](C)C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000430874727 458499849 /nfs/dbraw/zinc/49/98/49/458499849.db2.gz GTGHSZKEOLKZMG-ZDUSSCGKSA-N 1 1 326.400 3.393 10 5 EGBEMO Cc1ccc(NC(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000502362928 458646406 /nfs/dbraw/zinc/64/64/06/458646406.db2.gz VBJSFBPTTCKZQJ-UHFFFAOYSA-N 1 1 334.420 3.289 10 5 EGBEMO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464813120 458777184 /nfs/dbraw/zinc/77/71/84/458777184.db2.gz HCIROOPGUXRSMW-QWRGUYRKSA-N 1 1 325.796 3.307 10 5 EGBEMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464813120 458777190 /nfs/dbraw/zinc/77/71/90/458777190.db2.gz HCIROOPGUXRSMW-QWRGUYRKSA-N 1 1 325.796 3.307 10 5 EGBEMO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464813118 458777410 /nfs/dbraw/zinc/77/74/10/458777410.db2.gz HCIROOPGUXRSMW-GHMZBOCLSA-N 1 1 325.796 3.307 10 5 EGBEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464813118 458777416 /nfs/dbraw/zinc/77/74/16/458777416.db2.gz HCIROOPGUXRSMW-GHMZBOCLSA-N 1 1 325.796 3.307 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000475747169 458963776 /nfs/dbraw/zinc/96/37/76/458963776.db2.gz JRZOKUSYFMBLEZ-MGPQQGTHSA-N 1 1 349.431 3.298 10 5 EGBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)n1 ZINC000478016220 459072158 /nfs/dbraw/zinc/07/21/58/459072158.db2.gz KWHKOBBBQPHNFJ-HXUWFJFHSA-N 1 1 348.406 3.439 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000595025888 459220921 /nfs/dbraw/zinc/22/09/21/459220921.db2.gz JVGDBPSJKMBXMR-SMDDNHRTSA-N 1 1 336.413 3.358 10 5 EGBEMO CSc1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000595376701 459286945 /nfs/dbraw/zinc/28/69/45/459286945.db2.gz SETCZMVCHVZJKL-AWEZNQCLSA-N 1 1 344.440 3.398 10 5 EGBEMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 ZINC000534344400 459319798 /nfs/dbraw/zinc/31/97/98/459319798.db2.gz BOHOCGHJAIOANC-UHFFFAOYSA-N 1 1 333.413 3.329 10 5 EGBEMO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000595667336 459388759 /nfs/dbraw/zinc/38/87/59/459388759.db2.gz GRZMKDSHDGVVIN-LLVKDONJSA-N 1 1 334.401 3.039 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000595786240 459440393 /nfs/dbraw/zinc/44/03/93/459440393.db2.gz HAQRUAUTVDWFES-WBVHZDCISA-N 1 1 334.416 3.385 10 5 EGBEMO O=C(CC[N@H+]1CCC[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595838291 459459498 /nfs/dbraw/zinc/45/94/98/459459498.db2.gz UUEGVTKDCAJIMZ-HNNXBMFYSA-N 1 1 331.416 3.436 10 5 EGBEMO CC(C)N1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000561782005 459483486 /nfs/dbraw/zinc/48/34/86/459483486.db2.gz KAVLOBRAIZBJJQ-UHFFFAOYSA-N 1 1 330.432 3.081 10 5 EGBEMO COc1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1[N+](=O)[O-] ZINC000596075189 459510036 /nfs/dbraw/zinc/51/00/36/459510036.db2.gz FLPYZJFCLNMWBU-AAEUAGOBSA-N 1 1 325.796 3.296 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198679 459547032 /nfs/dbraw/zinc/54/70/32/459547032.db2.gz PUVXGZZDIGLVBY-MRXNPFEDSA-N 1 1 347.415 3.197 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000542698512 459583700 /nfs/dbraw/zinc/58/37/00/459583700.db2.gz UVNSOGQSOFSDGR-UHFFFAOYSA-N 1 1 329.375 3.365 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592376416 459584280 /nfs/dbraw/zinc/58/42/80/459584280.db2.gz JYIJDLZKIFKADF-QUCCMNQESA-N 1 1 339.439 3.338 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592376416 459584284 /nfs/dbraw/zinc/58/42/84/459584284.db2.gz JYIJDLZKIFKADF-QUCCMNQESA-N 1 1 339.439 3.338 10 5 EGBEMO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697066 459625285 /nfs/dbraw/zinc/62/52/85/459625285.db2.gz XBXSURACEQRKPN-LIRRHRJNSA-N 1 1 326.396 3.118 10 5 EGBEMO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CC=CCC1 ZINC000543173104 459630691 /nfs/dbraw/zinc/63/06/91/459630691.db2.gz MXLMLDJPFXJECC-CYBMUJFWSA-N 1 1 328.372 3.433 10 5 EGBEMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])s1 ZINC000596425021 459633855 /nfs/dbraw/zinc/63/38/55/459633855.db2.gz XCDXJTMOSACBLB-OAHLLOKOSA-N 1 1 347.440 3.143 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598622 459692332 /nfs/dbraw/zinc/69/23/32/459692332.db2.gz JBOYSMZQVIRUJJ-ZDUSSCGKSA-N 1 1 328.416 3.474 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598622 459692336 /nfs/dbraw/zinc/69/23/36/459692336.db2.gz JBOYSMZQVIRUJJ-ZDUSSCGKSA-N 1 1 328.416 3.474 10 5 EGBEMO CCC[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000501806120 459746194 /nfs/dbraw/zinc/74/61/94/459746194.db2.gz QZJAWNMPSLMOQB-QAPCUYQASA-N 1 1 335.448 3.089 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593050808 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NSHJMBILHYMJEE-UHFFFAOYSA-N 1 1 338.367 3.341 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nc1 ZINC000858038446 1328667924 /nfs/dbraw/zinc/66/79/24/1328667924.db2.gz MFTKSJKDXJDZNJ-INIZCTEOSA-N 1 1 327.384 3.260 10 5 EGBEMO CC(C)c1ccc(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913280582 1318994050 /nfs/dbraw/zinc/99/40/50/1318994050.db2.gz FMESXABHKKNLDY-KDURUIRLSA-N 1 1 345.443 3.132 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925250735 1325097336 /nfs/dbraw/zinc/09/73/36/1325097336.db2.gz UNGIVGQWYAPBEO-CYBMUJFWSA-N 1 1 336.436 3.075 10 5 EGBEMO C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000866099145 1330065511 /nfs/dbraw/zinc/06/55/11/1330065511.db2.gz ZROCXIQKPPEBNY-UHFFFAOYSA-N 1 1 340.811 3.196 10 5 EGBEMO COc1cc(NC[C@H]2c3ccccc3C[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000866194071 1330076737 /nfs/dbraw/zinc/07/67/37/1330076737.db2.gz GJEXTAVJUCXSJS-INIZCTEOSA-N 1 1 343.383 3.211 10 5 EGBEMO 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/nfs/dbraw/zinc/22/44/34/1420224434.db2.gz WSSPXKQFMPHWOQ-XNTDXEJSSA-N 1 1 331.416 3.007 10 5 EGBEMO C=C/C(C)=C/CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001715532745 1420224435 /nfs/dbraw/zinc/22/44/35/1420224435.db2.gz WSSPXKQFMPHWOQ-XNTDXEJSSA-N 1 1 331.416 3.007 10 5 EGBEMO CCC[N@@H+](CCNC(=O)C1=CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731863831 1428107606 /nfs/dbraw/zinc/10/76/06/1428107606.db2.gz OTKYTUQURNNIKM-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO CN(CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C=C1CCC1 ZINC001733772392 1430007439 /nfs/dbraw/zinc/00/74/39/1430007439.db2.gz QVXLYPIKYWZMCK-UHFFFAOYSA-N 1 1 337.445 3.047 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C=C1CCC1 ZINC001733772392 1430007442 /nfs/dbraw/zinc/00/74/42/1430007442.db2.gz QVXLYPIKYWZMCK-UHFFFAOYSA-N 1 1 337.445 3.047 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191410778 529405938 /nfs/dbraw/zinc/40/59/38/529405938.db2.gz PSYQVRNUVUQCKV-HUUCEWRRSA-N 1 1 346.431 3.302 10 5 EGBEMO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000178647223 232335062 /nfs/dbraw/zinc/33/50/62/232335062.db2.gz MRLMDVQOXNLGIY-GFCCVEGCSA-N 1 1 346.383 3.471 10 5 EGBEMO COc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000095432541 218375066 /nfs/dbraw/zinc/37/50/66/218375066.db2.gz PZBRCUUCGLBWSR-DYVFJYSZSA-N 1 1 330.384 3.330 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000184735188 144098418 /nfs/dbraw/zinc/09/84/18/144098418.db2.gz SBHLQEVBNZQHLV-OAHLLOKOSA-N 1 1 328.416 3.091 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120167071 152257176 /nfs/dbraw/zinc/25/71/76/152257176.db2.gz URUMJDPJMXVAFN-DZGCQCFKSA-N 1 1 334.420 3.062 10 5 EGBEMO COCC[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000368653951 157253884 /nfs/dbraw/zinc/25/38/84/157253884.db2.gz WKUYMRINXQKUOL-OAHLLOKOSA-N 1 1 349.431 3.062 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000093690743 162022807 /nfs/dbraw/zinc/02/28/07/162022807.db2.gz TVSWVFFSPHDGNS-UKINESCASA-N 1 1 325.368 3.156 10 5 EGBEMO Cc1c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000109814124 162112823 /nfs/dbraw/zinc/11/28/23/162112823.db2.gz SKTOCVZHGQQCIC-GOSISDBHSA-N 1 1 339.395 3.141 10 5 EGBEMO Cc1c(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000109814124 162112825 /nfs/dbraw/zinc/11/28/25/162112825.db2.gz SKTOCVZHGQQCIC-GOSISDBHSA-N 1 1 339.395 3.141 10 5 EGBEMO COCc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000248620229 163022520 /nfs/dbraw/zinc/02/25/20/163022520.db2.gz MIZZHGRDTQOUKJ-IAGOWNOFSA-N 1 1 346.383 3.205 10 5 EGBEMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350111987 165006160 /nfs/dbraw/zinc/00/61/60/165006160.db2.gz CNLYAXMVUZLLES-KRWDZBQOSA-N 1 1 334.395 3.130 10 5 EGBEMO Cc1ccnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000366977049 168164802 /nfs/dbraw/zinc/16/48/02/168164802.db2.gz QXQLTZICDAZHHD-UHFFFAOYSA-N 1 1 330.363 3.212 10 5 EGBEMO CCOc1ccc([C@@H](C)NCc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000414186728 309065553 /nfs/dbraw/zinc/06/55/53/309065553.db2.gz PHDQHVFYUVKSHX-CYBMUJFWSA-N 1 1 340.383 3.492 10 5 EGBEMO CC(C)c1ccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1[N+](=O)[O-] ZINC000414562809 309089634 /nfs/dbraw/zinc/08/96/34/309089634.db2.gz VOQKFQRINQGMBC-OAHLLOKOSA-N 1 1 333.432 3.207 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413270208 309024317 /nfs/dbraw/zinc/02/43/17/309024317.db2.gz QLQGZZKECQMEFS-UHFFFAOYSA-N 1 1 337.383 3.489 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000449303610 310051797 /nfs/dbraw/zinc/05/17/97/310051797.db2.gz XHXBWZCRBYVELX-HIFRSBDPSA-N 1 1 342.399 3.356 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449419011 310060445 /nfs/dbraw/zinc/06/04/45/310060445.db2.gz GKSCSXZOLAEASY-RBUKOAKNSA-N 1 1 344.386 3.203 10 5 EGBEMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449429885 310061213 /nfs/dbraw/zinc/06/12/13/310061213.db2.gz VIEPXGVAWRRBMV-CJNGLKHVSA-N 1 1 347.440 3.311 10 5 EGBEMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000473504264 310775771 /nfs/dbraw/zinc/77/57/71/310775771.db2.gz BEFOOCHUOAYMDL-UHFFFAOYSA-N 1 1 348.406 3.465 10 5 EGBEMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000489831250 311122221 /nfs/dbraw/zinc/12/22/21/311122221.db2.gz LRNJCMWGVGPQPM-UHFFFAOYSA-N 1 1 331.338 3.053 10 5 EGBEMO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000511174343 312156366 /nfs/dbraw/zinc/15/63/66/312156366.db2.gz ODOLIGQWOSRYRZ-NSHDSACASA-N 1 1 332.331 3.371 10 5 EGBEMO C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000564700331 316189372 /nfs/dbraw/zinc/18/93/72/316189372.db2.gz XXNGMKYYIPFPMT-AWEZNQCLSA-N 1 1 333.432 3.079 10 5 EGBEMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000026760253 453805291 /nfs/dbraw/zinc/80/52/91/453805291.db2.gz IMOIGLLVGISWNE-UHFFFAOYSA-N 1 1 327.384 3.039 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000029483664 453829225 /nfs/dbraw/zinc/82/92/25/453829225.db2.gz KEQAPRNLCMPMKQ-MRXNPFEDSA-N 1 1 343.358 3.292 10 5 EGBEMO C[N@@H+](CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000029483664 453829226 /nfs/dbraw/zinc/82/92/26/453829226.db2.gz KEQAPRNLCMPMKQ-MRXNPFEDSA-N 1 1 343.358 3.292 10 5 EGBEMO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000066810952 453875671 /nfs/dbraw/zinc/87/56/71/453875671.db2.gz HDIBNBCANQHZIE-INIZCTEOSA-N 1 1 326.400 3.314 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000181884649 455394166 /nfs/dbraw/zinc/39/41/66/455394166.db2.gz JBYBGKVHQQZZLY-LPHOPBHVSA-N 1 1 346.427 3.157 10 5 EGBEMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000072059018 454270446 /nfs/dbraw/zinc/27/04/46/454270446.db2.gz UCKWDXMUCZFMBF-HNNXBMFYSA-N 1 1 342.395 3.406 10 5 EGBEMO CCC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000090223193 454295791 /nfs/dbraw/zinc/29/57/91/454295791.db2.gz XKXIFDOHWSTMJE-HOTGVXAUSA-N 1 1 329.404 3.461 10 5 EGBEMO CC[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684694 454335485 /nfs/dbraw/zinc/33/54/85/454335485.db2.gz YUPCVAGZNSGIDB-YOEHRIQHSA-N 1 1 348.447 3.029 10 5 EGBEMO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c(Cl)c1 ZINC000182146333 455446747 /nfs/dbraw/zinc/44/67/47/455446747.db2.gz BJQVGZFDDCKQFF-UHFFFAOYSA-N 1 1 334.807 3.357 10 5 EGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212462 454685938 /nfs/dbraw/zinc/68/59/38/454685938.db2.gz GKVXOCYQXVNHRQ-MRXNPFEDSA-N 1 1 344.415 3.070 10 5 EGBEMO CC(C)c1csc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176263018 454719164 /nfs/dbraw/zinc/71/91/64/454719164.db2.gz KNEJQJHVPKORKL-ZDUSSCGKSA-N 1 1 349.460 3.251 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176725071 454776203 /nfs/dbraw/zinc/77/62/03/454776203.db2.gz VBNWDIWLRUOPQD-YCPHGPKFSA-N 1 1 348.447 3.088 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H]1CCCO ZINC000162453325 454776496 /nfs/dbraw/zinc/77/64/96/454776496.db2.gz ZAIFJRFBUBECAN-CYBMUJFWSA-N 1 1 343.221 3.094 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000162453325 454776499 /nfs/dbraw/zinc/77/64/99/454776499.db2.gz ZAIFJRFBUBECAN-CYBMUJFWSA-N 1 1 343.221 3.094 10 5 EGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177140806 454827447 /nfs/dbraw/zinc/82/74/47/454827447.db2.gz QFIHJRFOXWGEBK-ZDUSSCGKSA-N 1 1 348.790 3.058 10 5 EGBEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000167841902 454924214 /nfs/dbraw/zinc/92/42/14/454924214.db2.gz UMJQIFIZIWMEGJ-LSDHHAIUSA-N 1 1 329.404 3.325 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000128462009 455058834 /nfs/dbraw/zinc/05/88/34/455058834.db2.gz GYOIDVNEKXFSNP-HNNXBMFYSA-N 1 1 328.416 3.441 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246073580 455421732 /nfs/dbraw/zinc/42/17/32/455421732.db2.gz IUFYQUSJYJQXMN-DZGCQCFKSA-N 1 1 341.415 3.462 10 5 EGBEMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248062678 455677513 /nfs/dbraw/zinc/67/75/13/455677513.db2.gz PJEUIEBXSRCTIV-AEFFLSMTSA-N 1 1 339.395 3.078 10 5 EGBEMO CCOc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268981280 455752334 /nfs/dbraw/zinc/75/23/34/455752334.db2.gz OVLIWUTVKALRHZ-ZDUSSCGKSA-N 1 1 343.383 3.283 10 5 EGBEMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859319 455789812 /nfs/dbraw/zinc/78/98/12/455789812.db2.gz YICNAPWMONUXRB-KGLIPLIRSA-N 1 1 348.424 3.108 10 5 EGBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000252675244 455828104 /nfs/dbraw/zinc/82/81/04/455828104.db2.gz YVYNKRPZQSRGKN-PWSUYJOCSA-N 1 1 340.221 3.030 10 5 EGBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255764846 455873831 /nfs/dbraw/zinc/87/38/31/455873831.db2.gz AIICQQSRKUISSK-IMXKFXGHSA-N 1 1 326.400 3.278 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000301411798 456109672 /nfs/dbraw/zinc/10/96/72/456109672.db2.gz KJXWKHSMLMCVCY-PWSUYJOCSA-N 1 1 342.237 3.276 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000301451511 456119197 /nfs/dbraw/zinc/11/91/97/456119197.db2.gz XLVNDQNDLGWRHR-BBRMVZONSA-N 1 1 328.416 3.310 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301857060 456233464 /nfs/dbraw/zinc/23/34/64/456233464.db2.gz ZLUWTGOIQQFXBR-RDJZCZTQSA-N 1 1 342.355 3.360 10 5 EGBEMO O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000302078466 456281702 /nfs/dbraw/zinc/28/17/02/456281702.db2.gz ZGWYXMCMRQANPT-HNNXBMFYSA-N 1 1 333.432 3.296 10 5 EGBEMO CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000302115426 456291574 /nfs/dbraw/zinc/29/15/74/456291574.db2.gz BULIZAVZZADMAE-UHFFFAOYSA-N 1 1 341.411 3.467 10 5 EGBEMO CSCCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353529846 456738930 /nfs/dbraw/zinc/73/89/30/456738930.db2.gz RJEMGWMIKURLDD-OAHLLOKOSA-N 1 1 334.445 3.151 10 5 EGBEMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299654272 456754715 /nfs/dbraw/zinc/75/47/15/456754715.db2.gz PGKBHQAQFSJXJA-UHFFFAOYSA-N 1 1 347.459 3.487 10 5 EGBEMO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000342280085 457209511 /nfs/dbraw/zinc/20/95/11/457209511.db2.gz LCHWMZJMYDXKMO-SNVBAGLBSA-N 1 1 335.310 3.162 10 5 EGBEMO Cc1ccc([C@@H](C)NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000354533862 457274989 /nfs/dbraw/zinc/27/49/89/457274989.db2.gz LKXDKLULHRFXND-ZBFHGGJFSA-N 1 1 333.432 3.345 10 5 EGBEMO Cc1c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026244 457446264 /nfs/dbraw/zinc/44/62/64/457446264.db2.gz JBFOQYBSGUKTMW-QWQRMKEZSA-N 1 1 334.416 3.062 10 5 EGBEMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026244 457446269 /nfs/dbraw/zinc/44/62/69/457446269.db2.gz JBFOQYBSGUKTMW-QWQRMKEZSA-N 1 1 334.416 3.062 10 5 EGBEMO COc1ccc(OC)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352549639 457459423 /nfs/dbraw/zinc/45/94/23/457459423.db2.gz FBLDHESCTUSTAN-UHFFFAOYSA-N 1 1 330.384 3.287 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412049841 458067623 /nfs/dbraw/zinc/06/76/23/458067623.db2.gz XARGCIHSEHEBAH-NWDGAFQWSA-N 1 1 335.404 3.051 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412059401 458075165 /nfs/dbraw/zinc/07/51/65/458075165.db2.gz XEKFGQGUWMHNNU-GOEBONIOSA-N 1 1 331.416 3.133 10 5 EGBEMO Nc1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000376475443 458311537 /nfs/dbraw/zinc/31/15/37/458311537.db2.gz UJUMVSIOUWZELH-CYBMUJFWSA-N 1 1 341.415 3.094 10 5 EGBEMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548126344 458841742 /nfs/dbraw/zinc/84/17/42/458841742.db2.gz AKADDBGENXSORQ-ZDUSSCGKSA-N 1 1 339.823 3.195 10 5 EGBEMO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630706 458956743 /nfs/dbraw/zinc/95/67/43/458956743.db2.gz IIYLBFJKWOVMHM-MJIJOELWSA-N 1 1 346.427 3.268 10 5 EGBEMO CC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000475630706 458956744 /nfs/dbraw/zinc/95/67/44/458956744.db2.gz IIYLBFJKWOVMHM-MJIJOELWSA-N 1 1 346.427 3.268 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595078491 459239932 /nfs/dbraw/zinc/23/99/32/459239932.db2.gz CQLKLNXVTBSSAY-HIFRSBDPSA-N 1 1 336.342 3.053 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000595101353 459245413 /nfs/dbraw/zinc/24/54/13/459245413.db2.gz DPMUZNJDOLOVHK-LXIYXOSZSA-N 1 1 330.384 3.376 10 5 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COTYLCMDENWERC-UHFFFAOYSA-N 1 1 336.823 3.362 10 5 EGBEMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccnc1[N+](=O)[O-] ZINC001307199141 1383955169 /nfs/dbraw/zinc/95/51/69/1383955169.db2.gz BZJKVEPRSXOYEQ-KRWDZBQOSA-N 1 1 340.427 3.481 10 5 EGBEMO CCC1(CC)[C@H]([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001307545791 1384000154 /nfs/dbraw/zinc/00/01/54/1384000154.db2.gz YJEASHMRIAMPKZ-SJORKVTESA-N 1 1 336.432 3.499 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1occc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317541859 1385281537 /nfs/dbraw/zinc/28/15/37/1385281537.db2.gz XGLHTXKESORKAM-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001336804758 1389172869 /nfs/dbraw/zinc/17/28/69/1389172869.db2.gz USLLKZBSVCWNIQ-KDURUIRLSA-N 1 1 343.427 3.110 10 5 EGBEMO C[NH+](C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001354563967 1392152815 /nfs/dbraw/zinc/15/28/15/1392152815.db2.gz LZHOFKSNEKOFNZ-INIZCTEOSA-N 1 1 347.802 3.167 10 5 EGBEMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001354809146 1392170476 /nfs/dbraw/zinc/17/04/76/1392170476.db2.gz ZYCAFUZJCCAADS-RHSMWYFYSA-N 1 1 345.443 3.079 10 5 EGBEMO CC[N@H+](CCNC(=O)CC1CC(C)(C)C1)Cc1ccccc1[N+](=O)[O-] ZINC001480995412 1393075118 /nfs/dbraw/zinc/07/51/18/1393075118.db2.gz PQBBXTIWSYIWEX-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CC[N@@H+](CCNC(=O)CC1CC(C)(C)C1)Cc1ccccc1[N+](=O)[O-] ZINC001480995412 1393075119 /nfs/dbraw/zinc/07/51/19/1393075119.db2.gz PQBBXTIWSYIWEX-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CC(C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)=C1CCCC1 ZINC001732124237 1428374279 /nfs/dbraw/zinc/37/42/79/1428374279.db2.gz ULCNOZYJFWWTIC-UHFFFAOYSA-N 1 1 343.427 3.033 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001707448059 1417352309 /nfs/dbraw/zinc/35/23/09/1417352309.db2.gz MWTVCHVTEIYUGT-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC001713007365 1417561487 /nfs/dbraw/zinc/56/14/87/1417561487.db2.gz NTQQNORNFXHMPH-UHFFFAOYSA-N 1 1 347.440 3.298 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C(C)=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001713012762 1417566721 /nfs/dbraw/zinc/56/67/21/1417566721.db2.gz XOCDUSSRBLBKEH-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CCC1(C(=O)NCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC001713560586 1418359617 /nfs/dbraw/zinc/35/96/17/1418359617.db2.gz MWQRHSSIGOJZCE-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO CC[N@H+](CCNC(=O)/C=C\C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001714577331 1419314009 /nfs/dbraw/zinc/31/40/09/1419314009.db2.gz BLSDGXHQGKALPH-KHPPLWFESA-N 1 1 333.432 3.135 10 5 EGBEMO CC[N@@H+](CCNC(=O)/C=C\C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001714577331 1419314011 /nfs/dbraw/zinc/31/40/11/1419314011.db2.gz BLSDGXHQGKALPH-KHPPLWFESA-N 1 1 333.432 3.135 10 5 EGBEMO CC[N@@H+](CCNC(=O)C(C)=C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001714586056 1419328089 /nfs/dbraw/zinc/32/80/89/1419328089.db2.gz YHGARKGVVCLRST-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO CC/C(C)=C\C(=O)N(C)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001717206132 1421176546 /nfs/dbraw/zinc/17/65/46/1421176546.db2.gz CCFWWMJBCWZXRC-SQFISAMPSA-N 1 1 333.432 3.231 10 5 EGBEMO CC/C(C)=C\C(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001725814300 1426490550 /nfs/dbraw/zinc/49/05/50/1426490550.db2.gz SGOPMCTXCNRFIX-PTNGSMBKSA-N 1 1 343.427 3.199 10 5 EGBEMO CC/C(C)=C\C(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001725814300 1426490553 /nfs/dbraw/zinc/49/05/53/1426490553.db2.gz SGOPMCTXCNRFIX-PTNGSMBKSA-N 1 1 343.427 3.199 10 5 EGBEMO CC(C)CC1(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001731777900 1427898273 /nfs/dbraw/zinc/89/82/73/1427898273.db2.gz UCDKTHTYMCJLGD-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129387950 223051154 /nfs/dbraw/zinc/05/11/54/223051154.db2.gz CIUHOVIOGRUQBH-YJBOKZPZSA-N 1 1 344.415 3.143 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246052833 243185550 /nfs/dbraw/zinc/18/55/50/243185550.db2.gz QGDLOKDGTJVWBO-DZGCQCFKSA-N 1 1 334.420 3.097 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000079462157 217226926 /nfs/dbraw/zinc/22/69/26/217226926.db2.gz GQEZBEDMVCYSBJ-RHSMWYFYSA-N 1 1 335.448 3.156 10 5 EGBEMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000408401257 169175109 /nfs/dbraw/zinc/17/51/09/169175109.db2.gz BURVMVGLGQYTSC-SCRDCRAPSA-N 1 1 338.839 3.485 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812489 218171007 /nfs/dbraw/zinc/17/10/07/218171007.db2.gz OQDDKICIXYDBLH-BIENSFFJSA-N 1 1 338.411 3.437 10 5 EGBEMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268574211 252034707 /nfs/dbraw/zinc/03/47/07/252034707.db2.gz POQJAWHYDIADFK-OAHLLOKOSA-N 1 1 345.424 3.003 10 5 EGBEMO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311076460 154147339 /nfs/dbraw/zinc/14/73/39/154147339.db2.gz FASXIAIRXBIOLL-GOSISDBHSA-N 1 1 343.402 3.440 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093690741 162023698 /nfs/dbraw/zinc/02/36/98/162023698.db2.gz TVSWVFFSPHDGNS-YXMMZVCTSA-N 1 1 325.368 3.156 10 5 EGBEMO C[C@@H]1CC[C@]2(CC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359541412 167185808 /nfs/dbraw/zinc/18/58/08/167185808.db2.gz DITJWBLLNKDQRQ-KDOFPFPSSA-N 1 1 331.416 3.070 10 5 EGBEMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561192 167194509 /nfs/dbraw/zinc/19/45/09/167194509.db2.gz QVANPTBQJIEHDI-FZKQIMNGSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561192 167194511 /nfs/dbraw/zinc/19/45/11/167194511.db2.gz QVANPTBQJIEHDI-FZKQIMNGSA-N 1 1 347.415 3.054 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124039895 222368559 /nfs/dbraw/zinc/36/85/59/222368559.db2.gz WWWZFZROVNPJKI-ZBFHGGJFSA-N 1 1 335.448 3.297 10 5 EGBEMO COc1ccccc1CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177050011 265225919 /nfs/dbraw/zinc/22/59/19/265225919.db2.gz JGSULGKSRXAQLY-UHFFFAOYSA-N 1 1 341.367 3.419 10 5 EGBEMO C[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000342284105 274245379 /nfs/dbraw/zinc/24/53/79/274245379.db2.gz QXASAYQFSXXERY-SNVBAGLBSA-N 1 1 335.310 3.162 10 5 EGBEMO O=C1[C@@H]([N@@H+]2CCC[C@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246858623 275027598 /nfs/dbraw/zinc/02/75/98/275027598.db2.gz DVQCGHQEHKHDLJ-HOTGVXAUSA-N 1 1 341.367 3.130 10 5 EGBEMO O=C1[C@@H]([N@H+]2CCC[C@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246858623 275027599 /nfs/dbraw/zinc/02/75/99/275027599.db2.gz DVQCGHQEHKHDLJ-HOTGVXAUSA-N 1 1 341.367 3.130 10 5 EGBEMO Cc1cnc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000281751602 275573258 /nfs/dbraw/zinc/57/32/58/275573258.db2.gz BZQKTRKSKWZQDT-CQSZACIVSA-N 1 1 341.415 3.215 10 5 EGBEMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570718 276017884 /nfs/dbraw/zinc/01/78/84/276017884.db2.gz POPWHXZFOKIQQU-YGRLFVJLSA-N 1 1 346.305 3.083 10 5 EGBEMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570718 276017885 /nfs/dbraw/zinc/01/78/85/276017885.db2.gz POPWHXZFOKIQQU-YGRLFVJLSA-N 1 1 346.305 3.083 10 5 EGBEMO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184306969 277262824 /nfs/dbraw/zinc/26/28/24/277262824.db2.gz FUVKMSLDODAVRM-HNNXBMFYSA-N 1 1 334.347 3.220 10 5 EGBEMO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000294878186 308266943 /nfs/dbraw/zinc/26/69/43/308266943.db2.gz PVOPDTSLOJGQGC-LBPRGKRZSA-N 1 1 339.823 3.161 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000301342832 308697121 /nfs/dbraw/zinc/69/71/21/308697121.db2.gz JFWKVZJIEDLDEP-UHFFFAOYSA-N 1 1 345.374 3.065 10 5 EGBEMO 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ZINC000455627041 310370237 /nfs/dbraw/zinc/37/02/37/310370237.db2.gz ZDXMQOOVTDUOAU-QGZVFWFLSA-N 1 1 348.447 3.220 10 5 EGBEMO C[C@H]1C[C@H](CCNc2ccncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511641469 312165186 /nfs/dbraw/zinc/16/51/86/312165186.db2.gz BQZITDJMGZMJMP-RDJZCZTQSA-N 1 1 340.427 3.124 10 5 EGBEMO COc1ccccc1CC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000517136396 312365165 /nfs/dbraw/zinc/36/51/65/312365165.db2.gz ZZYBOSIFDCOVCK-UHFFFAOYSA-N 1 1 330.384 3.157 10 5 EGBEMO CC(C)c1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000189802121 455241889 /nfs/dbraw/zinc/24/18/89/455241889.db2.gz LDQUKSWJPRPNHJ-UKRRQHHQSA-N 1 1 331.416 3.027 10 5 EGBEMO Cc1[nH]c(C[N@H+](C)[C@@H]2CCCC[C@H]2O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000239760926 455262591 /nfs/dbraw/zinc/26/25/91/455262591.db2.gz CILABTHQFNHAID-HZPDHXFCSA-N 1 1 344.415 3.029 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000245396870 455286040 /nfs/dbraw/zinc/28/60/40/455286040.db2.gz MYWXLZRLDVHHSV-XJKSGUPXSA-N 1 1 347.415 3.197 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000085635963 454035937 /nfs/dbraw/zinc/03/59/37/454035937.db2.gz BAMUMVQCGGNHJN-GOOCMWNKSA-N 1 1 346.431 3.348 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000089952505 454245724 /nfs/dbraw/zinc/24/57/24/454245724.db2.gz SPYZLPXESJNBSH-HUUCEWRRSA-N 1 1 340.420 3.220 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(F)c1 ZINC000089952505 454245731 /nfs/dbraw/zinc/24/57/31/454245731.db2.gz SPYZLPXESJNBSH-HUUCEWRRSA-N 1 1 340.420 3.220 10 5 EGBEMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090551094 454320386 /nfs/dbraw/zinc/32/03/86/454320386.db2.gz HDQKPHUPFYOUOD-YOEHRIQHSA-N 1 1 348.447 3.077 10 5 EGBEMO CC[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000090564005 454323003 /nfs/dbraw/zinc/32/30/03/454323003.db2.gz OMVZUUDRRLNYGO-SJORKVTESA-N 1 1 348.447 3.220 10 5 EGBEMO Cc1nc(CN2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000105866445 454662050 /nfs/dbraw/zinc/66/20/50/454662050.db2.gz CZNCTEZRPPAXJU-UHFFFAOYSA-N 1 1 346.456 3.068 10 5 EGBEMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC000153274826 454777538 /nfs/dbraw/zinc/77/75/38/454777538.db2.gz XPVPVNXPXBSOJL-UHFFFAOYSA-N 1 1 345.443 3.040 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176989960 454808590 /nfs/dbraw/zinc/80/85/90/454808590.db2.gz FCTREVUUHBKUNO-AWEZNQCLSA-N 1 1 347.440 3.366 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c(Cl)c1 ZINC000182243827 455471259 /nfs/dbraw/zinc/47/12/59/455471259.db2.gz JKLPWDDEDOWUNL-OAHLLOKOSA-N 1 1 333.775 3.297 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c(Cl)c1 ZINC000182243827 455471264 /nfs/dbraw/zinc/47/12/64/455471264.db2.gz JKLPWDDEDOWUNL-OAHLLOKOSA-N 1 1 333.775 3.297 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114481999 454957061 /nfs/dbraw/zinc/95/70/61/454957061.db2.gz MFQOAERPBXOKJO-KRWDZBQOSA-N 1 1 330.388 3.314 10 5 EGBEMO O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000114495166 454958345 /nfs/dbraw/zinc/95/83/45/454958345.db2.gz KCHMELJKPRTPBE-SFHVURJKSA-N 1 1 329.400 3.356 10 5 EGBEMO O=C(C[N@H+]1CCC[C@@]2(CC=CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000114495166 454958346 /nfs/dbraw/zinc/95/83/46/454958346.db2.gz KCHMELJKPRTPBE-SFHVURJKSA-N 1 1 329.400 3.356 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](C4CC4)CC3)o2)cc1 ZINC000127902349 455007598 /nfs/dbraw/zinc/00/75/98/455007598.db2.gz WUOKYVCPFVGXGW-UHFFFAOYSA-N 1 1 327.384 3.135 10 5 EGBEMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245667859 455351564 /nfs/dbraw/zinc/35/15/64/455351564.db2.gz RKKSIBLTKGNKSF-IAGOWNOFSA-N 1 1 340.383 3.162 10 5 EGBEMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000612582023 460669175 /nfs/dbraw/zinc/66/91/75/460669175.db2.gz LDVCCRAILWRMHB-OAHLLOKOSA-N 1 1 334.416 3.314 10 5 EGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000182283199 455479629 /nfs/dbraw/zinc/47/96/29/455479629.db2.gz KHHALACDROBJNY-SICOMBFOSA-N 1 1 343.383 3.010 10 5 EGBEMO Cc1nn(C)c(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000160805931 455500996 /nfs/dbraw/zinc/50/09/96/455500996.db2.gz GSZUXTBJBSUAKB-GOSISDBHSA-N 1 1 343.431 3.103 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000278147535 455770332 /nfs/dbraw/zinc/77/03/32/455770332.db2.gz RENMZXSGUDSINL-GFCCVEGCSA-N 1 1 339.823 3.161 10 5 EGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000194606899 455864331 /nfs/dbraw/zinc/86/43/31/455864331.db2.gz FEQFDPSUXVNJRO-CQSZACIVSA-N 1 1 342.399 3.139 10 5 EGBEMO C[C@@H]1C[C@H](N(C)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000301411800 456109806 /nfs/dbraw/zinc/10/98/06/456109806.db2.gz KJXWKHSMLMCVCY-ZYHUDNBSSA-N 1 1 342.237 3.276 10 5 EGBEMO C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189097229 456226252 /nfs/dbraw/zinc/22/62/52/456226252.db2.gz CGZCAPJMYUFVLM-GFCCVEGCSA-N 1 1 345.424 3.034 10 5 EGBEMO C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189097229 456226253 /nfs/dbraw/zinc/22/62/53/456226253.db2.gz CGZCAPJMYUFVLM-GFCCVEGCSA-N 1 1 345.424 3.034 10 5 EGBEMO C[C@]1(CNc2ccc([N+](=O)[O-])cn2)CCC[N@H+]1Cc1ccccc1 ZINC000302377783 456337338 /nfs/dbraw/zinc/33/73/38/456337338.db2.gz GBBPSMWQWPJTFC-GOSISDBHSA-N 1 1 326.400 3.456 10 5 EGBEMO C[C@@](CO)([NH2+]Cc1sccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601148645 460732010 /nfs/dbraw/zinc/73/20/10/460732010.db2.gz GDXPSMVXFUGHHW-AWEZNQCLSA-N 1 1 326.805 3.307 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000338186847 456692164 /nfs/dbraw/zinc/69/21/64/456692164.db2.gz TUGNKBDEUNUSIM-BVPBIZIASA-N 1 1 348.443 3.365 10 5 EGBEMO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000299462313 456699849 /nfs/dbraw/zinc/69/98/49/456699849.db2.gz FPGVZMDULHTFTH-GDBMZVCRSA-N 1 1 333.432 3.284 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000330389248 457037855 /nfs/dbraw/zinc/03/78/55/457037855.db2.gz DVTBZRZNDOQKFY-CYBMUJFWSA-N 1 1 333.432 3.144 10 5 EGBEMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000342283301 457211559 /nfs/dbraw/zinc/21/15/59/457211559.db2.gz QKJVGDYXKVPWGM-JTQLQIEISA-N 1 1 335.310 3.162 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000342318907 457234641 /nfs/dbraw/zinc/23/46/41/457234641.db2.gz BDJQBSQJNJLZPC-MRXNPFEDSA-N 1 1 332.404 3.214 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374858369 457720741 /nfs/dbraw/zinc/72/07/41/457720741.db2.gz QLYJUPFYHRHKOR-SCLBCKFNSA-N 1 1 330.359 3.388 10 5 EGBEMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000411051374 457785845 /nfs/dbraw/zinc/78/58/45/457785845.db2.gz HTQBUXYXHWWUGS-ZDUSSCGKSA-N 1 1 339.823 3.113 10 5 EGBEMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000411051374 457785851 /nfs/dbraw/zinc/78/58/51/457785851.db2.gz HTQBUXYXHWWUGS-ZDUSSCGKSA-N 1 1 339.823 3.113 10 5 EGBEMO COc1ccc(NC(=O)CC[N@@H+](C)C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000411685035 457949585 /nfs/dbraw/zinc/94/95/85/457949585.db2.gz JNDSDAGARFWCGA-UHFFFAOYSA-N 1 1 335.404 3.197 10 5 EGBEMO CN(C(=O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430326446 458439409 /nfs/dbraw/zinc/43/94/09/458439409.db2.gz JWWSKOPVKKUVTH-AWEZNQCLSA-N 1 1 345.424 3.141 10 5 EGBEMO CN(C(=O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430326446 458439414 /nfs/dbraw/zinc/43/94/14/458439414.db2.gz JWWSKOPVKKUVTH-AWEZNQCLSA-N 1 1 345.424 3.141 10 5 EGBEMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000518800502 458894218 /nfs/dbraw/zinc/89/42/18/458894218.db2.gz ZUWJPZGETQXPAT-ZDUSSCGKSA-N 1 1 334.338 3.452 10 5 EGBEMO O=[N+]([O-])c1ccc(OCC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000441458566 458948329 /nfs/dbraw/zinc/94/83/29/458948329.db2.gz OXWFVMPXWLNGOF-SFHVURJKSA-N 1 1 334.416 3.397 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475613138 458954832 /nfs/dbraw/zinc/95/48/32/458954832.db2.gz AIVHMUCSTRMLMD-QLTJYVKOSA-N 1 1 346.427 3.268 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475613138 458954835 /nfs/dbraw/zinc/95/48/35/458954835.db2.gz AIVHMUCSTRMLMD-QLTJYVKOSA-N 1 1 346.427 3.268 10 5 EGBEMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)C[C@H](C)O1 ZINC000558409046 459155247 /nfs/dbraw/zinc/15/52/47/459155247.db2.gz MOOZYKXAYASITM-OKILXGFUSA-N 1 1 342.399 3.343 10 5 EGBEMO CSc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000595288686 459267908 /nfs/dbraw/zinc/26/79/08/459267908.db2.gz RSFRKZRKZWCKPO-UHFFFAOYSA-N 1 1 344.440 3.034 10 5 EGBEMO COc1cccc(SCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000595422652 459295679 /nfs/dbraw/zinc/29/56/79/459295679.db2.gz ISZMTIJUFNZRFQ-UHFFFAOYSA-N 1 1 345.424 3.149 10 5 EGBEMO Cc1noc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000595547868 459342555 /nfs/dbraw/zinc/34/25/55/459342555.db2.gz QEFKJYFFSMVNLE-ZDUSSCGKSA-N 1 1 337.326 3.377 10 5 EGBEMO Cc1noc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000595547868 459342561 /nfs/dbraw/zinc/34/25/61/459342561.db2.gz QEFKJYFFSMVNLE-ZDUSSCGKSA-N 1 1 337.326 3.377 10 5 EGBEMO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595549327 459342761 /nfs/dbraw/zinc/34/27/61/459342761.db2.gz CNBZBAFSGGOTMH-INIZCTEOSA-N 1 1 345.374 3.481 10 5 EGBEMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595549327 459342765 /nfs/dbraw/zinc/34/27/65/459342765.db2.gz CNBZBAFSGGOTMH-INIZCTEOSA-N 1 1 345.374 3.481 10 5 EGBEMO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000595667337 459389396 /nfs/dbraw/zinc/38/93/96/459389396.db2.gz GRZMKDSHDGVVIN-NSHDSACASA-N 1 1 334.401 3.039 10 5 EGBEMO C[C@@H]1CC[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)O1 ZINC000592132860 459532357 /nfs/dbraw/zinc/53/23/57/459532357.db2.gz OFEXYPPLVOCVIF-VDHUWJSZSA-N 1 1 348.443 3.268 10 5 EGBEMO CC(C)[C@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592446541 459601386 /nfs/dbraw/zinc/60/13/86/459601386.db2.gz FQTRSNQEJKQIFX-MAUKXSAKSA-N 1 1 346.427 3.011 10 5 EGBEMO CCOc1cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596596713 459690649 /nfs/dbraw/zinc/69/06/49/459690649.db2.gz DJTXIQLPWMKZMY-UHFFFAOYSA-N 1 1 344.415 3.301 10 5 EGBEMO CCOc1cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000596596713 459690653 /nfs/dbraw/zinc/69/06/53/459690653.db2.gz DJTXIQLPWMKZMY-UHFFFAOYSA-N 1 1 344.415 3.301 10 5 EGBEMO CSc1ccc(C(=O)NCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593210955 459809335 /nfs/dbraw/zinc/80/93/35/459809335.db2.gz YREPSGDINKSDJR-UHFFFAOYSA-N 1 1 339.461 3.024 10 5 EGBEMO CN(C(=O)C[N@@H+](C)C(C)(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000585754288 459841646 /nfs/dbraw/zinc/84/16/46/459841646.db2.gz FLBZQTWWTGYBAU-UHFFFAOYSA-N 1 1 341.411 3.425 10 5 EGBEMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585754222 459842409 /nfs/dbraw/zinc/84/24/09/459842409.db2.gz AAECHKXALWFYAD-UHFFFAOYSA-N 1 1 327.384 3.400 10 5 EGBEMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[C@H]1O ZINC000597204393 459876764 /nfs/dbraw/zinc/87/67/64/459876764.db2.gz IPPXCZQBBIYAOH-MCBXIFIFSA-N 1 1 330.384 3.304 10 5 EGBEMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000597212616 459879082 /nfs/dbraw/zinc/87/90/82/459879082.db2.gz VXFQSFRKIACOAJ-KSSFIOAISA-N 1 1 328.368 3.323 10 5 EGBEMO C[C@@H]1C[N@H+](CCCNc2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000593459102 459895433 /nfs/dbraw/zinc/89/54/33/459895433.db2.gz XGPFFCGANKURQT-OKILXGFUSA-N 1 1 344.415 3.054 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598677218 459988283 /nfs/dbraw/zinc/98/82/83/459988283.db2.gz NGDDOYIYPUVMLS-JSGCOSHPSA-N 1 1 336.342 3.053 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC000589510866 460096600 /nfs/dbraw/zinc/09/66/00/460096600.db2.gz RFOOQHOOJJLXKM-XGWLTEMNSA-N 1 1 332.400 3.392 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000589510949 460097266 /nfs/dbraw/zinc/09/72/66/460097266.db2.gz XRWZKRAIYVSZTD-SCLBCKFNSA-N 1 1 332.400 3.394 10 5 EGBEMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610400091 460142766 /nfs/dbraw/zinc/14/27/66/460142766.db2.gz YTBXHSHFTOIIQO-SNVBAGLBSA-N 1 1 335.310 3.162 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599621554 460289247 /nfs/dbraw/zinc/28/92/47/460289247.db2.gz FJRMFESWLLKSIE-INIZCTEOSA-N 1 1 347.459 3.151 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000741747635 576716460 /nfs/dbraw/zinc/71/64/60/576716460.db2.gz WESFDAYEJLOYHG-CQSZACIVSA-N 1 1 345.374 3.429 10 5 EGBEMO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031872 1296679581 /nfs/dbraw/zinc/67/95/81/1296679581.db2.gz UWOLGXSXOLCFPK-ZDUSSCGKSA-N 1 1 345.374 3.091 10 5 EGBEMO CC(C)[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000872092975 1296730132 /nfs/dbraw/zinc/73/01/32/1296730132.db2.gz RZYZKBGOBSSQAF-JCOFBHIZSA-N 1 1 338.301 3.332 10 5 EGBEMO CCOc1cccc(N2CCC[C@@H](n3cc[nH+]c3C)C2)c1[N+](=O)[O-] ZINC000762802600 1301752885 /nfs/dbraw/zinc/75/28/85/1301752885.db2.gz ZBZWDALNZXETFA-CQSZACIVSA-N 1 1 330.388 3.340 10 5 EGBEMO Cc1[nH]c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)[nH+]c1C ZINC000899506751 1317061445 /nfs/dbraw/zinc/06/14/45/1317061445.db2.gz YLZZGFDJFDXKTP-UHFFFAOYSA-N 1 1 342.399 3.263 10 5 EGBEMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@H+]1C ZINC000859560481 1329017863 /nfs/dbraw/zinc/01/78/63/1329017863.db2.gz HKKSXCWAXTZUOK-UKRRQHHQSA-N 1 1 341.411 3.303 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000924954509 1323226640 /nfs/dbraw/zinc/22/66/40/1323226640.db2.gz IVQMAAXQVQPPCK-GFCCVEGCSA-N 1 1 330.388 3.376 10 5 EGBEMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000860700983 1329345956 /nfs/dbraw/zinc/34/59/56/1329345956.db2.gz WONYSTQIVCNMJF-CYBMUJFWSA-N 1 1 339.395 3.128 10 5 EGBEMO C/C(=C/C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863033486 1329524797 /nfs/dbraw/zinc/52/47/97/1329524797.db2.gz VOPCFSQEFFSOPQ-RXXLQFRUSA-N 1 1 343.427 3.131 10 5 EGBEMO C[N@H+]1CC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC[C@@H]21 ZINC000866207707 1330078593 /nfs/dbraw/zinc/07/85/93/1330078593.db2.gz JBQUVMZBTNMRPT-BBRMVZONSA-N 1 1 344.440 3.249 10 5 EGBEMO CN(CC[C@H]1CCCC[N@H+]1C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001185528081 1387739905 /nfs/dbraw/zinc/73/99/05/1387739905.db2.gz SKQHZCBHSCCDKH-OAHLLOKOSA-N 1 1 332.448 3.179 10 5 EGBEMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001195111499 1368380334 /nfs/dbraw/zinc/38/03/34/1368380334.db2.gz DACXPIIBNSPDKS-MRXNPFEDSA-N 1 1 325.412 3.301 10 5 EGBEMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](Cc2ccccc2)C1 ZINC001195798109 1368492962 /nfs/dbraw/zinc/49/29/62/1368492962.db2.gz MYGGAVKWIJVFSM-INIZCTEOSA-N 1 1 331.441 3.015 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001132618575 1375486933 /nfs/dbraw/zinc/48/69/33/1375486933.db2.gz CBTSQVXIQGOFFJ-KRWDZBQOSA-N 1 1 345.443 3.430 10 5 EGBEMO COc1cccc(C[NH+]2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC001163952333 1383139111 /nfs/dbraw/zinc/13/91/11/1383139111.db2.gz DWLIUDVUBXAVGS-UHFFFAOYSA-N 1 1 341.411 3.234 10 5 EGBEMO CC[N@@H+]1[C@H](C)CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC001300085538 1383642167 /nfs/dbraw/zinc/64/21/67/1383642167.db2.gz AOWQYHDLLQSMGG-OKILXGFUSA-N 1 1 333.432 3.075 10 5 EGBEMO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001307428275 1383988398 /nfs/dbraw/zinc/98/83/98/1383988398.db2.gz DZRSNVYGQCIMKK-KRWDZBQOSA-N 1 1 328.416 3.098 10 5 EGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC001308010353 1384073912 /nfs/dbraw/zinc/07/39/12/1384073912.db2.gz MCMHFWPVTVZQPV-SFHVURJKSA-N 1 1 346.358 3.266 10 5 EGBEMO CCCCC(=O)N1CCC2(C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001319393268 1386100869 /nfs/dbraw/zinc/10/08/69/1386100869.db2.gz QOWLQTAQZRLMCE-UHFFFAOYSA-N 1 1 345.443 3.209 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001346868999 1390983402 /nfs/dbraw/zinc/98/34/02/1390983402.db2.gz PQMQLJWISJTGTE-CXOJTPOUSA-N 1 1 348.353 3.195 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@@H](CCF)C3)c2)cc1 ZINC001350480449 1391469593 /nfs/dbraw/zinc/46/95/93/1391469593.db2.gz RVUJSECEOQVZHS-AWEZNQCLSA-N 1 1 332.379 3.487 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1ccc(C)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001481013743 1393090992 /nfs/dbraw/zinc/09/09/92/1393090992.db2.gz KXVBBZRRBUMMST-UHFFFAOYSA-N 1 1 341.411 3.155 10 5 EGBEMO CC[N@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001492994774 1396331084 /nfs/dbraw/zinc/33/10/84/1396331084.db2.gz AODQLGKEXQBXAU-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CC[N@@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001492994774 1396331085 /nfs/dbraw/zinc/33/10/85/1396331085.db2.gz AODQLGKEXQBXAU-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO O=C(NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC=CCC1 ZINC001497761114 1396830688 /nfs/dbraw/zinc/83/06/88/1396830688.db2.gz FYYGTFKZVPPKMZ-AATRIKPKSA-N 1 1 349.456 3.165 10 5 EGBEMO C[N@H+](CCNC(=O)C(C)(C)C1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690947229 1404855380 /nfs/dbraw/zinc/85/53/80/1404855380.db2.gz GZIWPSFDCIIVAI-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO C[N@@H+](CCNC(=O)C(C)(C)C1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690947229 1404855392 /nfs/dbraw/zinc/85/53/92/1404855392.db2.gz GZIWPSFDCIIVAI-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CC[N@H+](CCNC(=O)C(C)=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001731802270 1427967455 /nfs/dbraw/zinc/96/74/55/1427967455.db2.gz YZDPUIJWVYJYRF-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO CC[N@@H+](CCNC(=O)C(C)=C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001731802270 1427967460 /nfs/dbraw/zinc/96/74/60/1427967460.db2.gz YZDPUIJWVYJYRF-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001700182047 1413596952 /nfs/dbraw/zinc/59/69/52/1413596952.db2.gz LUGVAWUOVHLZLL-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO C[N@@H+](CCCNC(=O)C(F)=C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001707369515 1417297907 /nfs/dbraw/zinc/29/79/07/1417297907.db2.gz TTWCPDSHHHFJNW-UHFFFAOYSA-N 1 1 349.406 3.331 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1cscc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001714580878 1419320102 /nfs/dbraw/zinc/32/01/02/1419320102.db2.gz LRTFMVPJSJPGHR-UHFFFAOYSA-N 1 1 347.440 3.217 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/C(C)(C)C ZINC001715516788 1420202860 /nfs/dbraw/zinc/20/28/60/1420202860.db2.gz XTQWVDIOKMRMTR-ZHACJKMWSA-N 1 1 333.432 3.087 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/C(C)(C)C ZINC001715516788 1420202863 /nfs/dbraw/zinc/20/28/63/1420202863.db2.gz XTQWVDIOKMRMTR-ZHACJKMWSA-N 1 1 333.432 3.087 10 5 EGBEMO CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001724598318 1424930074 /nfs/dbraw/zinc/93/00/74/1424930074.db2.gz WOPRJLJVDFBWLB-ACHSLPGTSA-N 1 1 345.443 3.254 10 5 EGBEMO CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001733775745 1430018926 /nfs/dbraw/zinc/01/89/26/1430018926.db2.gz KJBJVUAEMBRRCY-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO Cn1cc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000155275199 529933402 /nfs/dbraw/zinc/93/34/02/529933402.db2.gz HJRWUGIFICKVSY-UHFFFAOYSA-N 1 1 342.321 3.022 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000183646027 235181170 /nfs/dbraw/zinc/18/11/70/235181170.db2.gz KFHIDBZGIWBZKE-UHFFFAOYSA-N 1 1 347.459 3.028 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290138 152055735 /nfs/dbraw/zinc/05/57/35/152055735.db2.gz JTLJYHWIJDJPLN-IUODEOHRSA-N 1 1 329.356 3.352 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290138 152055742 /nfs/dbraw/zinc/05/57/42/152055742.db2.gz JTLJYHWIJDJPLN-IUODEOHRSA-N 1 1 329.356 3.352 10 5 EGBEMO CCN(CC)C(=O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000118847321 152156642 /nfs/dbraw/zinc/15/66/42/152156642.db2.gz UTAKBMGAKGMXSK-UHFFFAOYSA-N 1 1 339.461 3.317 10 5 EGBEMO CC[C@@H]([NH2+]Cc1nccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000191061761 153172600 /nfs/dbraw/zinc/17/26/00/153172600.db2.gz HLBNVKBULCASGJ-CQSZACIVSA-N 1 1 331.372 3.248 10 5 EGBEMO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194853933 153363230 /nfs/dbraw/zinc/36/32/30/153363230.db2.gz KYXIRNKEMVAZLC-HNNXBMFYSA-N 1 1 343.339 3.425 10 5 EGBEMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000303586073 154047327 /nfs/dbraw/zinc/04/73/27/154047327.db2.gz QNEUGBYZPMQVSW-HKUYNNGSSA-N 1 1 346.427 3.157 10 5 EGBEMO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311076463 154147264 /nfs/dbraw/zinc/14/72/64/154147264.db2.gz FASXIAIRXBIOLL-SFHVURJKSA-N 1 1 343.402 3.440 10 5 EGBEMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368864788 157310289 /nfs/dbraw/zinc/31/02/89/157310289.db2.gz BIHUSRWBDQLPEF-KRWDZBQOSA-N 1 1 345.399 3.033 10 5 EGBEMO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCCC[C@H]1C ZINC000338873843 163369290 /nfs/dbraw/zinc/36/92/90/163369290.db2.gz WHTKOAPLDCYYQO-CHWSQXEVSA-N 1 1 344.415 3.069 10 5 EGBEMO C[C@H]1CC[C@]2(CC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359541413 167185496 /nfs/dbraw/zinc/18/54/96/167185496.db2.gz DITJWBLLNKDQRQ-KSSFIOAISA-N 1 1 331.416 3.070 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359554688 167190456 /nfs/dbraw/zinc/19/04/56/167190456.db2.gz JJQWPRJXOFATNB-ACJLOTCBSA-N 1 1 331.416 3.354 10 5 EGBEMO COc1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000278372033 267998222 /nfs/dbraw/zinc/99/82/22/267998222.db2.gz KRCDKYKSZDKSAI-JTQLQIEISA-N 1 1 348.321 3.386 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000278372033 267998223 /nfs/dbraw/zinc/99/82/23/267998223.db2.gz KRCDKYKSZDKSAI-JTQLQIEISA-N 1 1 348.321 3.386 10 5 EGBEMO C[C@@H]1CC[C@]2(CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000359555308 274319442 /nfs/dbraw/zinc/31/94/42/274319442.db2.gz KENKIBNXMYOIQT-BJZITVGISA-N 1 1 343.427 3.212 10 5 EGBEMO O=C1[C@@H]([N@@H+]2CCC[C@@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000116297768 275189417 /nfs/dbraw/zinc/18/94/17/275189417.db2.gz DVQCGHQEHKHDLJ-CVEARBPZSA-N 1 1 341.367 3.130 10 5 EGBEMO O=C1[C@@H]([N@H+]2CCC[C@@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000116297768 275189418 /nfs/dbraw/zinc/18/94/18/275189418.db2.gz DVQCGHQEHKHDLJ-CVEARBPZSA-N 1 1 341.367 3.130 10 5 EGBEMO COc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245440 308113327 /nfs/dbraw/zinc/11/33/27/308113327.db2.gz BGIWPGRNDSUNFB-NXEZZACHSA-N 1 1 330.331 3.088 10 5 EGBEMO COc1cc(C[N@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245440 308113328 /nfs/dbraw/zinc/11/33/28/308113328.db2.gz BGIWPGRNDSUNFB-NXEZZACHSA-N 1 1 330.331 3.088 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000448945676 310025171 /nfs/dbraw/zinc/02/51/71/310025171.db2.gz XLBQINXHQQWQAY-UHFFFAOYSA-N 1 1 330.413 3.003 10 5 EGBEMO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419474 310060423 /nfs/dbraw/zinc/06/04/23/310060423.db2.gz HNCNFMWJZHSEFT-IEBWSBKVSA-N 1 1 344.386 3.203 10 5 EGBEMO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419474 310060424 /nfs/dbraw/zinc/06/04/24/310060424.db2.gz HNCNFMWJZHSEFT-IEBWSBKVSA-N 1 1 344.386 3.203 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449665806 310079063 /nfs/dbraw/zinc/07/90/63/310079063.db2.gz DCTSXJGNGOYAAC-FZOXRXHISA-N 1 1 344.333 3.243 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000449680533 310080505 /nfs/dbraw/zinc/08/05/05/310080505.db2.gz CEEXZZIIHUJWIM-MRXNPFEDSA-N 1 1 342.342 3.199 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000449680533 310080506 /nfs/dbraw/zinc/08/05/06/310080506.db2.gz CEEXZZIIHUJWIM-MRXNPFEDSA-N 1 1 342.342 3.199 10 5 EGBEMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451357326 310173955 /nfs/dbraw/zinc/17/39/55/310173955.db2.gz YPXVPFPWLRFQER-ZMSDIMECSA-N 1 1 334.416 3.119 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)CC(F)(F)F)C2)cc1 ZINC000451544720 310184441 /nfs/dbraw/zinc/18/44/41/310184441.db2.gz FMXYCUJQXHCBCA-OCCSQVGLSA-N 1 1 332.322 3.088 10 5 EGBEMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456153082 310390858 /nfs/dbraw/zinc/39/08/58/310390858.db2.gz WMZOBTHKSIHGHV-SJLPKXTDSA-N 1 1 345.443 3.175 10 5 EGBEMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000504567732 312008143 /nfs/dbraw/zinc/00/81/43/312008143.db2.gz HKQNBJWAIZUZTR-MRXNPFEDSA-N 1 1 333.432 3.288 10 5 EGBEMO COc1nc(C)cc(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000554241473 315304422 /nfs/dbraw/zinc/30/44/22/315304422.db2.gz KMCTZDODAWDKQI-UHFFFAOYSA-N 1 1 327.384 3.174 10 5 EGBEMO COc1nc(C)cc(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000554241473 315304424 /nfs/dbraw/zinc/30/44/24/315304424.db2.gz KMCTZDODAWDKQI-UHFFFAOYSA-N 1 1 327.384 3.174 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000565174593 316282512 /nfs/dbraw/zinc/28/25/12/316282512.db2.gz SIAWVCBFTDPHJR-AWEZNQCLSA-N 1 1 327.384 3.296 10 5 EGBEMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000572056715 317284279 /nfs/dbraw/zinc/28/42/79/317284279.db2.gz YNCLXYJHUAJHSB-CYBMUJFWSA-N 1 1 338.367 3.429 10 5 EGBEMO C[C@H]1C[C@@H](N(C)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000301411796 456110220 /nfs/dbraw/zinc/11/02/20/456110220.db2.gz KJXWKHSMLMCVCY-JQWIXIFHSA-N 1 1 342.237 3.276 10 5 EGBEMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000379683021 324241339 /nfs/dbraw/zinc/24/13/39/324241339.db2.gz ZNVVETGJEYHKTJ-ZBFHGGJFSA-N 1 1 326.400 3.455 10 5 EGBEMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000578708221 325005677 /nfs/dbraw/zinc/00/56/77/325005677.db2.gz OPHFJALCWYUIAQ-LESCRADOSA-N 1 1 345.443 3.172 10 5 EGBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000083550671 453950810 /nfs/dbraw/zinc/95/08/10/453950810.db2.gz YVYNKRPZQSRGKN-CMPLNLGQSA-N 1 1 340.221 3.030 10 5 EGBEMO Cc1sc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055758388 454012607 /nfs/dbraw/zinc/01/26/07/454012607.db2.gz YRKLDQVGSMEKAH-GRYCIOLGSA-N 1 1 339.461 3.061 10 5 EGBEMO Cc1[nH]c(C[N@H+](C)[C@H]2CCCC[C@@H]2O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000095976604 454247047 /nfs/dbraw/zinc/24/70/47/454247047.db2.gz CILABTHQFNHAID-HOTGVXAUSA-N 1 1 344.415 3.029 10 5 EGBEMO CC(C)c1ccc(C[NH+]2CCN(c3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000060375233 454283813 /nfs/dbraw/zinc/28/38/13/454283813.db2.gz KMNFJWQZUPVEGM-UHFFFAOYSA-N 1 1 340.427 3.435 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120312684 454285274 /nfs/dbraw/zinc/28/52/74/454285274.db2.gz SLSDAIXDWBRRAQ-CYBMUJFWSA-N 1 1 344.415 3.070 10 5 EGBEMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000090551093 454319731 /nfs/dbraw/zinc/31/97/31/454319731.db2.gz HDQKPHUPFYOUOD-PBHICJAKSA-N 1 1 348.447 3.077 10 5 EGBEMO Cc1sc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000079262659 454388274 /nfs/dbraw/zinc/38/82/74/454388274.db2.gz LOMHZSPTKGFGMD-UHFFFAOYSA-N 1 1 339.461 3.159 10 5 EGBEMO COc1cc(C[N@@H+](C)CCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000092150197 454529121 /nfs/dbraw/zinc/52/91/21/454529121.db2.gz KGLJWXWBVQPJHT-UHFFFAOYSA-N 1 1 348.374 3.426 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000143397564 454842616 /nfs/dbraw/zinc/84/26/16/454842616.db2.gz NUZKZMKICJAFJT-UHFFFAOYSA-N 1 1 342.399 3.075 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000143397564 454842618 /nfs/dbraw/zinc/84/26/18/454842618.db2.gz NUZKZMKICJAFJT-UHFFFAOYSA-N 1 1 342.399 3.075 10 5 EGBEMO Cc1ccnc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000166043403 454907570 /nfs/dbraw/zinc/90/75/70/454907570.db2.gz DONCTPREOZWAEG-HNNXBMFYSA-N 1 1 326.400 3.181 10 5 EGBEMO O=C(C[N@@H+]1CCC[C@]2(CC=CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000114495168 454957796 /nfs/dbraw/zinc/95/77/96/454957796.db2.gz KCHMELJKPRTPBE-GOSISDBHSA-N 1 1 329.400 3.356 10 5 EGBEMO O=C(C[N@H+]1CCC[C@]2(CC=CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000114495168 454957800 /nfs/dbraw/zinc/95/78/00/454957800.db2.gz KCHMELJKPRTPBE-GOSISDBHSA-N 1 1 329.400 3.356 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000128588652 455070646 /nfs/dbraw/zinc/07/06/46/455070646.db2.gz MWVYXGQUQITGLU-INIZCTEOSA-N 1 1 343.431 3.222 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000245729688 455366901 /nfs/dbraw/zinc/36/69/01/455366901.db2.gz JLMWCFPXHWCZFZ-AWEZNQCLSA-N 1 1 327.384 3.135 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000267961126 455570917 /nfs/dbraw/zinc/57/09/17/455570917.db2.gz LBCNUEIKKPTGJW-OCCSQVGLSA-N 1 1 334.420 3.158 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247235699 455576806 /nfs/dbraw/zinc/57/68/06/455576806.db2.gz SMPYPVLCMPJDRU-WFASDCNBSA-N 1 1 325.840 3.410 10 5 EGBEMO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000249441262 455755598 /nfs/dbraw/zinc/75/55/98/455755598.db2.gz KBBJSCNPLNGMBP-HZPDHXFCSA-N 1 1 333.413 3.230 10 5 EGBEMO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000249441262 455755606 /nfs/dbraw/zinc/75/56/06/455755606.db2.gz KBBJSCNPLNGMBP-HZPDHXFCSA-N 1 1 333.413 3.230 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000249875398 455781412 /nfs/dbraw/zinc/78/14/12/455781412.db2.gz LLIKLLWBCCWDDZ-UKRRQHHQSA-N 1 1 341.415 3.073 10 5 EGBEMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859324 455790511 /nfs/dbraw/zinc/79/05/11/455790511.db2.gz YICNAPWMONUXRB-ZIAGYGMSSA-N 1 1 348.424 3.108 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000255493803 455868002 /nfs/dbraw/zinc/86/80/02/455868002.db2.gz OQDDKICIXYDBLH-WRLNGNIRSA-N 1 1 338.411 3.437 10 5 EGBEMO COc1cc(NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000301616553 456163546 /nfs/dbraw/zinc/16/35/46/456163546.db2.gz JUMZPUIWMKYMPN-GFCCVEGCSA-N 1 1 325.384 3.419 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000297532225 456245024 /nfs/dbraw/zinc/24/50/24/456245024.db2.gz IHQMVGOQPZLXKF-JKIFEVAISA-N 1 1 348.447 3.028 10 5 EGBEMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)C1 ZINC000340153070 456283929 /nfs/dbraw/zinc/28/39/29/456283929.db2.gz XLVYCJBAEKDNNM-HNNXBMFYSA-N 1 1 340.427 3.256 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000601133052 460725396 /nfs/dbraw/zinc/72/53/96/460725396.db2.gz SJMIRAHCVPOBAU-KGLIPLIRSA-N 1 1 327.384 3.396 10 5 EGBEMO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783298 456303055 /nfs/dbraw/zinc/30/30/55/456303055.db2.gz JESIROPQXCHWLJ-NVXWUHKLSA-N 1 1 345.443 3.052 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302160835 456303323 /nfs/dbraw/zinc/30/33/23/456303323.db2.gz PCUZXJKZODGJFC-NSHDSACASA-N 1 1 329.347 3.483 10 5 EGBEMO C[C@@H]([NH2+][C@@H](C)C(=O)c1c[nH]c2ncccc12)c1ccccc1[N+](=O)[O-] ZINC000342282317 457210492 /nfs/dbraw/zinc/21/04/92/457210492.db2.gz PCJJWNHRFODCMR-NEPJUHHUSA-N 1 1 338.367 3.393 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361075064 457565717 /nfs/dbraw/zinc/56/57/17/457565717.db2.gz RPXCGBINSBZKJP-OAHLLOKOSA-N 1 1 332.448 3.471 10 5 EGBEMO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358164042 457828187 /nfs/dbraw/zinc/82/81/87/457828187.db2.gz MMLGZUZJUHLYAU-XJKSGUPXSA-N 1 1 336.436 3.074 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412041421 458061880 /nfs/dbraw/zinc/06/18/80/458061880.db2.gz LGXPWZNOSFVJEA-LBPRGKRZSA-N 1 1 335.404 3.052 10 5 EGBEMO COc1ccc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000533536671 459248815 /nfs/dbraw/zinc/24/88/15/459248815.db2.gz MYICEDZEEKCNIC-YJYMSZOUSA-N 1 1 342.395 3.427 10 5 EGBEMO CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595384961 459288082 /nfs/dbraw/zinc/28/80/82/459288082.db2.gz TWWYKYWYFAYHOB-SFHVURJKSA-N 1 1 343.402 3.440 10 5 EGBEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591150943 459323319 /nfs/dbraw/zinc/32/33/19/459323319.db2.gz XRTCWVAMNDUGEY-CQSZACIVSA-N 1 1 344.390 3.230 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595852263 459464773 /nfs/dbraw/zinc/46/47/73/459464773.db2.gz YWVRIQQDHUGMGG-LSDHHAIUSA-N 1 1 333.432 3.201 10 5 EGBEMO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542210128 459534431 /nfs/dbraw/zinc/53/44/31/459534431.db2.gz NWZJQQJOJDAGED-CVEARBPZSA-N 1 1 344.411 3.336 10 5 EGBEMO COc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596155424 459541588 /nfs/dbraw/zinc/54/15/88/459541588.db2.gz JXPSQJCQEOEUNY-NXEZZACHSA-N 1 1 325.796 3.294 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)cc1[N+](=O)[O-] ZINC000592516968 459622125 /nfs/dbraw/zinc/62/21/25/459622125.db2.gz LVPFKOACHQIUBT-OAHLLOKOSA-N 1 1 341.415 3.195 10 5 EGBEMO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593020458 459742589 /nfs/dbraw/zinc/74/25/89/459742589.db2.gz ZYMITFKVQWUOKQ-MRXNPFEDSA-N 1 1 343.383 3.360 10 5 EGBEMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593020458 459742591 /nfs/dbraw/zinc/74/25/91/459742591.db2.gz ZYMITFKVQWUOKQ-MRXNPFEDSA-N 1 1 343.383 3.360 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccc(OC)cc2)c1 ZINC000593021951 459743021 /nfs/dbraw/zinc/74/30/21/459743021.db2.gz ZSARJYPLPUBBCJ-LBPRGKRZSA-N 1 1 344.367 3.241 10 5 EGBEMO C[C@]12COC[C@@H]1C[N@@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000597211067 459879151 /nfs/dbraw/zinc/87/91/51/459879151.db2.gz KVSRAXJSQVQFRI-GUYCJALGSA-N 1 1 345.424 3.187 10 5 EGBEMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465348 459897035 /nfs/dbraw/zinc/89/70/35/459897035.db2.gz NXORKPAUMXPITJ-AWEZNQCLSA-N 1 1 328.416 3.311 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(CC4CC4)CC3)c2c1 ZINC000588959480 460011704 /nfs/dbraw/zinc/01/17/04/460011704.db2.gz CJNVIYUZXYVTSN-UHFFFAOYSA-N 1 1 342.443 3.083 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC000589510863 460096833 /nfs/dbraw/zinc/09/68/33/460096833.db2.gz RFOOQHOOJJLXKM-MJEQTWJJSA-N 1 1 332.400 3.392 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCc2cccs2)c1 ZINC000589503465 460097236 /nfs/dbraw/zinc/09/72/36/460097236.db2.gz RNCYIGAYXDVTIQ-UHFFFAOYSA-N 1 1 334.397 3.117 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000598999984 460123589 /nfs/dbraw/zinc/12/35/89/460123589.db2.gz PSSFVGMAWKFEBK-QGZVFWFLSA-N 1 1 333.432 3.100 10 5 EGBEMO C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000576410596 460137042 /nfs/dbraw/zinc/13/70/42/460137042.db2.gz MYKCNXRMHIHCPM-LLVKDONJSA-N 1 1 330.388 3.433 10 5 EGBEMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610400090 460142795 /nfs/dbraw/zinc/14/27/95/460142795.db2.gz YTBXHSHFTOIIQO-JTQLQIEISA-N 1 1 335.310 3.162 10 5 EGBEMO 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ZINC000611262605 460322097 /nfs/dbraw/zinc/32/20/97/460322097.db2.gz LQUHWWNBZOBUHQ-UHFFFAOYSA-N 1 1 346.358 3.180 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000611616766 460415034 /nfs/dbraw/zinc/41/50/34/460415034.db2.gz DOGNOVNGQANFHU-QGZVFWFLSA-N 1 1 340.427 3.317 10 5 EGBEMO CC(C)[N@H+]1CCC[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601453157 460814077 /nfs/dbraw/zinc/81/40/77/460814077.db2.gz HCWXUEBHYZVEOH-INIZCTEOSA-N 1 1 345.443 3.006 10 5 EGBEMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000732050381 575234155 /nfs/dbraw/zinc/23/41/55/575234155.db2.gz OKFGRTALHDENHC-WKTRQSJXSA-N 1 1 347.415 3.067 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735215290 575617202 /nfs/dbraw/zinc/61/72/02/575617202.db2.gz XCUQHKBQCULZFO-QGZVFWFLSA-N 1 1 340.379 3.335 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000742411323 576781275 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333.775 3.429 10 5 EGBEMO NC(=O)C[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000862534427 1329493453 /nfs/dbraw/zinc/49/34/53/1329493453.db2.gz BHIXMTGMZHRMBG-QGZVFWFLSA-N 1 1 334.419 3.069 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000866402166 1330107113 /nfs/dbraw/zinc/10/71/13/1330107113.db2.gz ICCSLSUEPNKWMG-BBRMVZONSA-N 1 1 346.456 3.151 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000866480878 1330117340 /nfs/dbraw/zinc/11/73/40/1330117340.db2.gz LWXZFIBYWORMRZ-CVEARBPZSA-N 1 1 346.456 3.293 10 5 EGBEMO CC[C@@](O)(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC001192928566 1367905484 /nfs/dbraw/zinc/90/54/84/1367905484.db2.gz LFDKUAWNRXGWKZ-CQSZACIVSA-N 1 1 332.322 3.263 10 5 EGBEMO CC[C@@](O)(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC001192928566 1367905485 /nfs/dbraw/zinc/90/54/85/1367905485.db2.gz LFDKUAWNRXGWKZ-CQSZACIVSA-N 1 1 332.322 3.263 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001195639709 1368463078 /nfs/dbraw/zinc/46/30/78/1368463078.db2.gz WPAUGEMHTSTPDR-DLBZAZTESA-N 1 1 348.443 3.379 10 5 EGBEMO COC(=O)C(C)(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC001197326048 1368788569 /nfs/dbraw/zinc/78/85/69/1368788569.db2.gz NBLQAGIHQVGAMC-UHFFFAOYSA-N 1 1 340.395 3.391 10 5 EGBEMO Cc1cc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C)[nH+]1 ZINC001116362507 1370894927 /nfs/dbraw/zinc/89/49/27/1370894927.db2.gz TUUPIECZZTWQGD-UHFFFAOYSA-N 1 1 342.399 3.471 10 5 EGBEMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC001187662430 1388138626 /nfs/dbraw/zinc/13/86/26/1388138626.db2.gz BPXXPSHANZJCPV-BXUZGUMPSA-N 1 1 330.363 3.300 10 5 EGBEMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001154889466 1380373650 /nfs/dbraw/zinc/37/36/50/1380373650.db2.gz NUOPVCAILCHWFN-GFCCVEGCSA-N 1 1 349.406 3.131 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ccc([N+](=O)[O-])cc1F ZINC001163643530 1383094088 /nfs/dbraw/zinc/09/40/88/1383094088.db2.gz SUQAOQUPWHYAFS-UHFFFAOYSA-N 1 1 332.379 3.087 10 5 EGBEMO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC001167686762 1383709789 /nfs/dbraw/zinc/70/97/89/1383709789.db2.gz XZFYSCAAMZVACB-QGZVFWFLSA-N 1 1 340.358 3.462 10 5 EGBEMO CC1(C)CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC001306958709 1383926407 /nfs/dbraw/zinc/92/64/07/1383926407.db2.gz DSILYPUBWXQYCI-UHFFFAOYSA-N 1 1 344.390 3.230 10 5 EGBEMO CC1(C)CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+]1Cc1ccccc1 ZINC001306958709 1383926410 /nfs/dbraw/zinc/92/64/10/1383926410.db2.gz DSILYPUBWXQYCI-UHFFFAOYSA-N 1 1 344.390 3.230 10 5 EGBEMO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001169665705 1384170601 /nfs/dbraw/zinc/17/06/01/1384170601.db2.gz FIJABZKZZMDRJV-NVXWUHKLSA-N 1 1 334.416 3.049 10 5 EGBEMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171267254 1384482311 /nfs/dbraw/zinc/48/23/11/1384482311.db2.gz OCKLEUMKOUXWOS-GDBMZVCRSA-N 1 1 348.443 3.437 10 5 EGBEMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001320080691 1386498545 /nfs/dbraw/zinc/49/85/45/1386498545.db2.gz KKPIVQNWZKEJOM-KUHUBIRLSA-N 1 1 344.411 3.200 10 5 EGBEMO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001322466178 1387191488 /nfs/dbraw/zinc/19/14/88/1387191488.db2.gz ONWVASLJCJQZMO-DYVFJYSZSA-N 1 1 346.456 3.277 10 5 EGBEMO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001332233426 1390058350 /nfs/dbraw/zinc/05/83/50/1390058350.db2.gz XGCPNQAQTLKOPK-OLZOCXBDSA-N 1 1 337.395 3.033 10 5 EGBEMO Cc1cnc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111877 1390441833 /nfs/dbraw/zinc/44/18/33/1390441833.db2.gz NHWSRTCGQHSBOM-HOCLYGCPSA-N 1 1 330.363 3.295 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001346869002 1390983474 /nfs/dbraw/zinc/98/34/74/1390983474.db2.gz PQMQLJWISJTGTE-UGWHAMFMSA-N 1 1 348.353 3.195 10 5 EGBEMO CC[N@@H+](CCNC(=O)C=C1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480966130 1393053141 /nfs/dbraw/zinc/05/31/41/1393053141.db2.gz XADKJLDXMOHKQE-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO Cc1cscc1C(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001707370889 1417298831 /nfs/dbraw/zinc/29/88/31/1417298831.db2.gz FMJLKGQEQGAWSV-UHFFFAOYSA-N 1 1 347.440 3.217 10 5 EGBEMO CC/C(C)=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001713708416 1418467635 /nfs/dbraw/zinc/46/76/35/1418467635.db2.gz YAFZCMMVEMIULA-CDSGDHGGSA-N 1 1 343.427 3.126 10 5 EGBEMO CC/C(C)=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001713708416 1418467637 /nfs/dbraw/zinc/46/76/37/1418467637.db2.gz YAFZCMMVEMIULA-CDSGDHGGSA-N 1 1 343.427 3.126 10 5 EGBEMO CC(C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)=C1CCCC1 ZINC001733240807 1429383116 /nfs/dbraw/zinc/38/31/16/1429383116.db2.gz KUOPSAOALUQKPP-UHFFFAOYSA-N 1 1 349.456 3.285 10 5 EGBEMO CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001716996559 1421066004 /nfs/dbraw/zinc/06/60/04/1421066004.db2.gz BBFHEVFYORWKON-BJWYYQGGSA-N 1 1 345.443 3.254 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCCC1 ZINC001717209821 1421182521 /nfs/dbraw/zinc/18/25/21/1421182521.db2.gz MOVWPUBNVSUJIK-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000344565542 141174057 /nfs/dbraw/zinc/17/40/57/141174057.db2.gz MMEFUHWPWFHGFV-CQSZACIVSA-N 1 1 349.456 3.016 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CCc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000353451688 141298513 /nfs/dbraw/zinc/29/85/13/141298513.db2.gz WUKKEDHORBVONE-MRXNPFEDSA-N 1 1 342.424 3.312 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351770535 144304128 /nfs/dbraw/zinc/30/41/28/144304128.db2.gz HHNCVIKTQCACFA-TXEJJXNPSA-N 1 1 338.383 3.118 10 5 EGBEMO Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000112496188 162179415 /nfs/dbraw/zinc/17/94/15/162179415.db2.gz NAMMXQKDGZJPFX-UHFFFAOYSA-N 1 1 341.776 3.061 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000248657428 163026498 /nfs/dbraw/zinc/02/64/98/163026498.db2.gz XHXJTLZMKIONIP-HOCLYGCPSA-N 1 1 348.447 3.406 10 5 EGBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C2CC2)CC1 ZINC000352192390 165276882 /nfs/dbraw/zinc/27/68/82/165276882.db2.gz USXADWDMYAAZMJ-CYBMUJFWSA-N 1 1 331.416 3.434 10 5 EGBEMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355407161 166187135 /nfs/dbraw/zinc/18/71/35/166187135.db2.gz UMGNQZQDPKDLSZ-AWEZNQCLSA-N 1 1 345.424 3.003 10 5 EGBEMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355407161 166187138 /nfs/dbraw/zinc/18/71/38/166187138.db2.gz UMGNQZQDPKDLSZ-AWEZNQCLSA-N 1 1 345.424 3.003 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000359096907 167065943 /nfs/dbraw/zinc/06/59/43/167065943.db2.gz LEGCGGVHCPIJLU-NVXWUHKLSA-N 1 1 326.400 3.464 10 5 EGBEMO CN1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180013571 265393256 /nfs/dbraw/zinc/39/32/56/265393256.db2.gz XUPUKFLXENTMNY-LJQANCHMSA-N 1 1 325.412 3.368 10 5 EGBEMO C[N@@H+]1CCC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180239251 265399012 /nfs/dbraw/zinc/39/90/12/265399012.db2.gz PQVPGGIALCLWPA-OALUTQOASA-N 1 1 325.412 3.368 10 5 EGBEMO C[N@H+]1CCC[C@H]1CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180239251 265399016 /nfs/dbraw/zinc/39/90/16/265399016.db2.gz PQVPGGIALCLWPA-OALUTQOASA-N 1 1 325.412 3.368 10 5 EGBEMO CC(C)(C)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195068810 266159115 /nfs/dbraw/zinc/15/91/15/266159115.db2.gz UCEFLQAQKURJIB-HNNXBMFYSA-N 1 1 345.443 3.203 10 5 EGBEMO CC(C)(C)c1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195068810 266159118 /nfs/dbraw/zinc/15/91/18/266159118.db2.gz UCEFLQAQKURJIB-HNNXBMFYSA-N 1 1 345.443 3.203 10 5 EGBEMO CO[C@@H](C)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000340850272 274056082 /nfs/dbraw/zinc/05/60/82/274056082.db2.gz OLNBOLKXJYVMJS-ZDUSSCGKSA-N 1 1 333.388 3.495 10 5 EGBEMO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266799896 274293147 /nfs/dbraw/zinc/29/31/47/274293147.db2.gz CTPKSVNIOSLVPD-LLVKDONJSA-N 1 1 346.412 3.141 10 5 EGBEMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266799896 274293148 /nfs/dbraw/zinc/29/31/48/274293148.db2.gz CTPKSVNIOSLVPD-LLVKDONJSA-N 1 1 346.412 3.141 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cs1 ZINC000377733837 275033132 /nfs/dbraw/zinc/03/31/32/275033132.db2.gz YUNFCJZVLRCTFC-HNNXBMFYSA-N 1 1 329.425 3.293 10 5 EGBEMO Cc1[nH+]ccn1-c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000302818828 308746878 /nfs/dbraw/zinc/74/68/78/308746878.db2.gz NLGDJVOFKZKZEY-UHFFFAOYSA-N 1 1 327.319 3.235 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451351291 310173667 /nfs/dbraw/zinc/17/36/67/310173667.db2.gz ITTDDCIWPIGHKE-ZACQAIPSSA-N 1 1 334.416 3.119 10 5 EGBEMO COc1cc(CN2CC[N@@H+](C)CC23CCCCC3)ccc1[N+](=O)[O-] ZINC000490011309 311129621 /nfs/dbraw/zinc/12/96/21/311129621.db2.gz DXSZKEZIFPMUIM-UHFFFAOYSA-N 1 1 333.432 3.054 10 5 EGBEMO C[C@@H]1C[C@@H](CCNc2ccncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511641466 312165127 /nfs/dbraw/zinc/16/51/27/312165127.db2.gz BQZITDJMGZMJMP-NVXWUHKLSA-N 1 1 340.427 3.124 10 5 EGBEMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000379683019 324241547 /nfs/dbraw/zinc/24/15/47/324241547.db2.gz ZNVVETGJEYHKTJ-GOEBONIOSA-N 1 1 326.400 3.455 10 5 EGBEMO CO[C@H](Cc1ccccc1)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000580992664 325318302 /nfs/dbraw/zinc/31/83/02/325318302.db2.gz MTZYGUYZXYBKDB-QGZVFWFLSA-N 1 1 326.396 3.211 10 5 EGBEMO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000183122960 455233400 /nfs/dbraw/zinc/23/34/00/455233400.db2.gz YEQVWRVNFBZKDC-DYALPIRYSA-N 1 1 332.425 3.365 10 5 EGBEMO COc1cccc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000030964042 453842314 /nfs/dbraw/zinc/84/23/14/453842314.db2.gz KVPSMVUCLCGHKA-OAHLLOKOSA-N 1 1 341.411 3.487 10 5 EGBEMO CN(C(=O)C[N@H+]1CCC[C@H]1CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000060877268 454318431 /nfs/dbraw/zinc/31/84/31/454318431.db2.gz MTNQADAWLOBRLP-INIZCTEOSA-N 1 1 333.432 3.458 10 5 EGBEMO CC[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000090684690 454335384 /nfs/dbraw/zinc/33/53/84/454335384.db2.gz YUPCVAGZNSGIDB-PBHICJAKSA-N 1 1 348.447 3.029 10 5 EGBEMO Cc1cnn([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000122988893 454590104 /nfs/dbraw/zinc/59/01/04/454590104.db2.gz QJMKQKITKURHMB-BBOMDTFKSA-N 1 1 326.400 3.450 10 5 EGBEMO COc1ccccc1CC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000104711526 454598422 /nfs/dbraw/zinc/59/84/22/454598422.db2.gz KAROISGLHKNRHM-UHFFFAOYSA-N 1 1 330.384 3.157 10 5 EGBEMO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074763970 454631349 /nfs/dbraw/zinc/63/13/49/454631349.db2.gz RIHOCNPLDRXEJR-GOEBONIOSA-N 1 1 341.415 3.016 10 5 EGBEMO Cc1ccc(N2CCC(Nc3cc(C)c([N+](=O)[O-])cn3)CC2)[nH+]c1 ZINC000074765767 454631506 /nfs/dbraw/zinc/63/15/06/454631506.db2.gz CJYTVDFAWJUIIW-UHFFFAOYSA-N 1 1 327.388 3.083 10 5 EGBEMO O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1F ZINC000153182971 454767580 /nfs/dbraw/zinc/76/75/80/454767580.db2.gz VFMZXUVBSBIQTK-UHFFFAOYSA-N 1 1 343.358 3.121 10 5 EGBEMO O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1F ZINC000153182971 454767585 /nfs/dbraw/zinc/76/75/85/454767585.db2.gz VFMZXUVBSBIQTK-UHFFFAOYSA-N 1 1 343.358 3.121 10 5 EGBEMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000125822440 454849876 /nfs/dbraw/zinc/84/98/76/454849876.db2.gz MRKQISUWXFZRCJ-CQSZACIVSA-N 1 1 330.384 3.242 10 5 EGBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000150856405 454903104 /nfs/dbraw/zinc/90/31/04/454903104.db2.gz MAGZRZZHVPQJOI-YGRLFVJLSA-N 1 1 340.811 3.098 10 5 EGBEMO COc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000154910785 454941888 /nfs/dbraw/zinc/94/18/88/454941888.db2.gz KJNRDZBQRBGKCI-LBPRGKRZSA-N 1 1 337.395 3.196 10 5 EGBEMO C[C@H]1C[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@H+]1C ZINC000172616790 455164926 /nfs/dbraw/zinc/16/49/26/455164926.db2.gz GCWTVPJWFCNQJU-AAEUAGOBSA-N 1 1 347.440 3.364 10 5 EGBEMO CO[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000189342356 455181100 /nfs/dbraw/zinc/18/11/00/455181100.db2.gz AVDYPZLVFIXKGJ-WBMJQRKESA-N 1 1 331.372 3.107 10 5 EGBEMO CO[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000189342356 455181102 /nfs/dbraw/zinc/18/11/02/455181102.db2.gz AVDYPZLVFIXKGJ-WBMJQRKESA-N 1 1 331.372 3.107 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246466887 455495457 /nfs/dbraw/zinc/49/54/57/455495457.db2.gz PUDKIDKWGBRLKG-OCCSQVGLSA-N 1 1 334.420 3.062 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000182763313 455582562 /nfs/dbraw/zinc/58/25/62/455582562.db2.gz TYKIBAWYZJNVQD-UKRRQHHQSA-N 1 1 334.420 3.097 10 5 EGBEMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1c1ccccc1[N+](=O)[O-] ZINC000252484571 455809411 /nfs/dbraw/zinc/80/94/11/455809411.db2.gz FZNKKYXOZHCMJN-HUUCEWRRSA-N 1 1 335.448 3.045 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2cccc(Nc3ncccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000301382381 456103937 /nfs/dbraw/zinc/10/39/37/456103937.db2.gz SUMGYAKWNSDTOI-OKILXGFUSA-N 1 1 342.399 3.343 10 5 EGBEMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ncccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000301382381 456103941 /nfs/dbraw/zinc/10/39/41/456103941.db2.gz SUMGYAKWNSDTOI-OKILXGFUSA-N 1 1 342.399 3.343 10 5 EGBEMO CCc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)s1 ZINC000301390787 456105483 /nfs/dbraw/zinc/10/54/83/456105483.db2.gz ZIBBFTRHROKKRU-UHFFFAOYSA-N 1 1 346.456 3.244 10 5 EGBEMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301469224 456123309 /nfs/dbraw/zinc/12/33/09/456123309.db2.gz HUULCAKWGIUZHH-KCQAQPDRSA-N 1 1 335.835 3.477 10 5 EGBEMO O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000302039287 456274342 /nfs/dbraw/zinc/27/43/42/456274342.db2.gz NBKVOWAJGOTVQF-QGZVFWFLSA-N 1 1 341.411 3.164 10 5 EGBEMO Cc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000601140139 460727431 /nfs/dbraw/zinc/72/74/31/460727431.db2.gz TUAAHSMPWJEAKQ-UHFFFAOYSA-N 1 1 331.351 3.045 10 5 EGBEMO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[C@H](O)CC1 ZINC000276010710 456369148 /nfs/dbraw/zinc/36/91/48/456369148.db2.gz OLWNEEINOAJRAU-KOMQPUFPSA-N 1 1 347.440 3.454 10 5 EGBEMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310279704 456581500 /nfs/dbraw/zinc/58/15/00/456581500.db2.gz VZFFLROGKSNOCC-HOCLYGCPSA-N 1 1 326.400 3.312 10 5 EGBEMO CCOc1cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850080 456597469 /nfs/dbraw/zinc/59/74/69/456597469.db2.gz DNBUMOUWGHKKKC-GDBMZVCRSA-N 1 1 335.448 3.156 10 5 EGBEMO O=C(c1cc2ccccc2c2cccnc12)N1CC[NH+](C2CC2)CC1 ZINC000299357126 456668259 /nfs/dbraw/zinc/66/82/59/456668259.db2.gz NYMRGORVNDETFC-UHFFFAOYSA-N 1 1 331.419 3.308 10 5 EGBEMO Cc1cc(N[C@H]2CC[N@H+](C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301127419 456803932 /nfs/dbraw/zinc/80/39/32/456803932.db2.gz VHBQSGVUHSAGCM-HNNXBMFYSA-N 1 1 341.415 3.255 10 5 EGBEMO C[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000342284100 457211617 /nfs/dbraw/zinc/21/16/17/457211617.db2.gz QXASAYQFSXXERY-JTQLQIEISA-N 1 1 335.310 3.162 10 5 EGBEMO Cc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)cc1[N+](=O)[O-] ZINC000369886335 457445079 /nfs/dbraw/zinc/44/50/79/457445079.db2.gz FSPHVFRVBDHQIJ-GFCCVEGCSA-N 1 1 342.399 3.493 10 5 EGBEMO COCC[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342722887 457479587 /nfs/dbraw/zinc/47/95/87/457479587.db2.gz DQWIVUFIZQYWDJ-LSDHHAIUSA-N 1 1 349.431 3.060 10 5 EGBEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000398012518 457493500 /nfs/dbraw/zinc/49/35/00/457493500.db2.gz DNAXGAIZADQECV-WMLDXEAASA-N 1 1 326.400 3.312 10 5 EGBEMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000374776358 457705341 /nfs/dbraw/zinc/70/53/41/457705341.db2.gz JNVNJTPZPRRTFE-GOOCMWNKSA-N 1 1 344.390 3.378 10 5 EGBEMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1csc([N+](=O)[O-])c1 ZINC000375234962 457842413 /nfs/dbraw/zinc/84/24/13/457842413.db2.gz VROOVZATPRYMKQ-UHFFFAOYSA-N 1 1 329.381 3.387 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCCOC4)co2)cc1 ZINC000375297356 457868466 /nfs/dbraw/zinc/86/84/66/457868466.db2.gz UMLQPFQOVNJEMX-SFHVURJKSA-N 1 1 343.383 3.252 10 5 EGBEMO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1c(C)nn(C)c1C ZINC000444690805 457942219 /nfs/dbraw/zinc/94/22/19/457942219.db2.gz VOKHCOTUPWWRFZ-ZDUSSCGKSA-N 1 1 342.403 3.062 10 5 EGBEMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000367934263 457999991 /nfs/dbraw/zinc/99/99/91/457999991.db2.gz GNEGFDTUHCSIJX-ZBFHGGJFSA-N 1 1 331.416 3.249 10 5 EGBEMO COc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435748581 458195168 /nfs/dbraw/zinc/19/51/68/458195168.db2.gz FVUJXFVHYVKZQR-KRWDZBQOSA-N 1 1 347.459 3.490 10 5 EGBEMO CC[C@H]1CC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000429285557 458307575 /nfs/dbraw/zinc/30/75/75/458307575.db2.gz OLMRUOGZIFWPPI-NSHDSACASA-N 1 1 330.331 3.232 10 5 EGBEMO CC[C@H]1CC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000429285557 458307580 /nfs/dbraw/zinc/30/75/80/458307580.db2.gz OLMRUOGZIFWPPI-NSHDSACASA-N 1 1 330.331 3.232 10 5 EGBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000372946389 458356357 /nfs/dbraw/zinc/35/63/57/458356357.db2.gz NQFUFOWCCVSXRO-UHFFFAOYSA-N 1 1 338.367 3.029 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249183 458428691 /nfs/dbraw/zinc/42/86/91/458428691.db2.gz IBAWZDGNFJWOEZ-LDDOYCOJSA-N 1 1 334.416 3.314 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249183 458428692 /nfs/dbraw/zinc/42/86/92/458428692.db2.gz IBAWZDGNFJWOEZ-LDDOYCOJSA-N 1 1 334.416 3.314 10 5 EGBEMO CC(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000438475741 458582697 /nfs/dbraw/zinc/58/26/97/458582697.db2.gz DCPWMNQXIURNTE-LLVKDONJSA-N 1 1 325.796 3.165 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000424294499 458606910 /nfs/dbraw/zinc/60/69/10/458606910.db2.gz OYFLQURDCBFUMJ-RYQLBKOJSA-N 1 1 340.427 3.444 10 5 EGBEMO CC[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000431863073 458636872 /nfs/dbraw/zinc/63/68/72/458636872.db2.gz CLXSBLRKWYUMMS-NVXWUHKLSA-N 1 1 333.432 3.427 10 5 EGBEMO O=[N+]([O-])c1cccc(OCC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000441439235 458943729 /nfs/dbraw/zinc/94/37/29/458943729.db2.gz SSLMDLOOOZNZGX-SFHVURJKSA-N 1 1 334.416 3.397 10 5 EGBEMO Cc1noc(CN[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000595421769 459296134 /nfs/dbraw/zinc/29/61/34/459296134.db2.gz UROTZDAGOHWLAC-LLVKDONJSA-N 1 1 341.371 3.236 10 5 EGBEMO COc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000595503265 459327299 /nfs/dbraw/zinc/32/72/99/459327299.db2.gz ZKGAOWPNMJNNDN-HNNXBMFYSA-N 1 1 327.384 3.378 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3(O)CCSCC3)C2)cc1 ZINC000595524733 459334206 /nfs/dbraw/zinc/33/42/06/459334206.db2.gz OHEZWGCUFQMGCZ-OAHLLOKOSA-N 1 1 336.457 3.032 10 5 EGBEMO CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485394950 459452848 /nfs/dbraw/zinc/45/28/48/459452848.db2.gz YZJQLGWCRMXOGK-HNNXBMFYSA-N 1 1 344.390 3.112 10 5 EGBEMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485978479 459482804 /nfs/dbraw/zinc/48/28/04/459482804.db2.gz JMFFOGVFZFMWDT-GDBMZVCRSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485978479 459482810 /nfs/dbraw/zinc/48/28/10/459482810.db2.gz JMFFOGVFZFMWDT-GDBMZVCRSA-N 1 1 334.326 3.125 10 5 EGBEMO COc1cc(C[N@@H+]2CCC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000541845408 459497629 /nfs/dbraw/zinc/49/76/29/459497629.db2.gz WKKRWNZVXJPLGB-UHFFFAOYSA-N 1 1 330.331 3.232 10 5 EGBEMO COc1cc(C[N@H+]2CCC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000541845408 459497634 /nfs/dbraw/zinc/49/76/34/459497634.db2.gz WKKRWNZVXJPLGB-UHFFFAOYSA-N 1 1 330.331 3.232 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+](CCOC1CCC1)[C@H]1CC[C@H](O)CC1 ZINC000592132269 459530614 /nfs/dbraw/zinc/53/06/14/459530614.db2.gz FXZULHJFSLKIKV-QAQDUYKDSA-N 1 1 348.443 3.269 10 5 EGBEMO O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000596238623 459571185 /nfs/dbraw/zinc/57/11/85/459571185.db2.gz PTXMBUIDVWICIR-MRVPVSSYSA-N 1 1 337.177 3.050 10 5 EGBEMO O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000596238623 459571190 /nfs/dbraw/zinc/57/11/90/459571190.db2.gz PTXMBUIDVWICIR-MRVPVSSYSA-N 1 1 337.177 3.050 10 5 EGBEMO CC(C)[C@@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CC=CC2 ZINC000592446543 459601011 /nfs/dbraw/zinc/60/10/11/459601011.db2.gz FQTRSNQEJKQIFX-YJBOKZPZSA-N 1 1 346.427 3.011 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000499255805 459629660 /nfs/dbraw/zinc/62/96/60/459629660.db2.gz ZLOOTIDIBCOAHD-JKSUJKDBSA-N 1 1 336.432 3.222 10 5 EGBEMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422163 459632066 /nfs/dbraw/zinc/63/20/66/459632066.db2.gz BPPPZIVLZTUDLV-SFHVURJKSA-N 1 1 341.411 3.082 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598621 459692664 /nfs/dbraw/zinc/69/26/64/459692664.db2.gz JBOYSMZQVIRUJJ-CYBMUJFWSA-N 1 1 328.416 3.474 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598621 459692672 /nfs/dbraw/zinc/69/26/72/459692672.db2.gz JBOYSMZQVIRUJJ-CYBMUJFWSA-N 1 1 328.416 3.474 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000544609232 459771983 /nfs/dbraw/zinc/77/19/83/459771983.db2.gz NEBMJZISKXREAM-UHFFFAOYSA-N 1 1 331.441 3.283 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596838152 459775300 /nfs/dbraw/zinc/77/53/00/459775300.db2.gz KDEAGOMPNWIJBG-CYBMUJFWSA-N 1 1 334.420 3.206 10 5 EGBEMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC1(F)F ZINC000588232678 459934489 /nfs/dbraw/zinc/93/44/89/459934489.db2.gz VUXMPHWCKDBQRB-GWCFXTLKSA-N 1 1 327.331 3.089 10 5 EGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597857594 460081747 /nfs/dbraw/zinc/08/17/47/460081747.db2.gz GHZKWXQEWMJCSX-RDJZCZTQSA-N 1 1 347.459 3.153 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCCc2ccccc2)c1 ZINC000589496488 460094895 /nfs/dbraw/zinc/09/48/95/460094895.db2.gz YIELEDRXYBXNHO-UHFFFAOYSA-N 1 1 342.395 3.446 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[N@H+]1CCc2n[nH]cc2C1 ZINC000598937974 460096447 /nfs/dbraw/zinc/09/64/47/460096447.db2.gz ARAFHWPUXLKPHV-GUYCJALGSA-N 1 1 326.400 3.087 10 5 EGBEMO CN(c1ccc2cnccc2c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000599081815 460155329 /nfs/dbraw/zinc/15/53/29/460155329.db2.gz NBWAPYRIQMUHSZ-YIONKMFJSA-N 1 1 326.400 3.204 10 5 EGBEMO C[N@H+]1CCC[C@@]2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)C1 ZINC000599085907 460155978 /nfs/dbraw/zinc/15/59/78/460155978.db2.gz HKVVXDXRNJRGIL-GOSISDBHSA-N 1 1 326.400 3.065 10 5 EGBEMO Cc1cn2c([nH+]1)C[C@H](c1nc(-c3ccc(C)c([N+](=O)[O-])c3)no1)CC2 ZINC000599123911 460167875 /nfs/dbraw/zinc/16/78/75/460167875.db2.gz PZNHZPIVNZCYGF-CYBMUJFWSA-N 1 1 339.355 3.188 10 5 EGBEMO O=[N+]([O-])c1c(NC[C@H]2CC[N@H+]2C2CCCCC2)nc2sccn21 ZINC000599127005 460169315 /nfs/dbraw/zinc/16/93/15/460169315.db2.gz LQNQADIPZWDLSK-GFCCVEGCSA-N 1 1 335.433 3.123 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC2)CC1 ZINC000599673559 460304934 /nfs/dbraw/zinc/30/49/34/460304934.db2.gz UNYXENGUUHMRNH-CYBMUJFWSA-N 1 1 347.415 3.197 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC2(CC2)CC1 ZINC000599673752 460305087 /nfs/dbraw/zinc/30/50/87/460305087.db2.gz XXYUDVPCDOXCSR-UHFFFAOYSA-N 1 1 331.416 3.498 10 5 EGBEMO Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599768877 460329703 /nfs/dbraw/zinc/32/97/03/460329703.db2.gz PTGNDEIRBGLBDZ-OAHLLOKOSA-N 1 1 332.404 3.042 10 5 EGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616264 460415134 /nfs/dbraw/zinc/41/51/34/460415134.db2.gz DKTDGFRFILMUBC-CQSZACIVSA-N 1 1 329.404 3.207 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600228332 460450911 /nfs/dbraw/zinc/45/09/11/460450911.db2.gz JYIUXOFLSVAOJS-MRXNPFEDSA-N 1 1 331.416 3.040 10 5 EGBEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059648 460461674 /nfs/dbraw/zinc/46/16/74/460461674.db2.gz BRDVYTIBVKHBSB-HIFRSBDPSA-N 1 1 326.400 3.206 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601972715 460967599 /nfs/dbraw/zinc/96/75/99/460967599.db2.gz NLCULUPWMDFSCU-RZXPCSSPSA-N 1 1 326.343 3.354 10 5 EGBEMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000735220143 575617594 /nfs/dbraw/zinc/61/75/94/575617594.db2.gz FSHWAKKUVPWAQD-AWEZNQCLSA-N 1 1 332.381 3.088 10 5 EGBEMO C[C@@H](ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC000871786067 1296531735 /nfs/dbraw/zinc/53/17/35/1296531735.db2.gz YDMSSABWXGXCBL-JZIBPQBNSA-N 1 1 332.404 3.027 10 5 EGBEMO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872110595 1296735922 /nfs/dbraw/zinc/73/59/22/1296735922.db2.gz ZXYUFRMOCYWEBK-SECBINFHSA-N 1 1 346.284 3.300 10 5 EGBEMO CO[C@@]1(C(F)(F)F)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895577612 1309411273 /nfs/dbraw/zinc/41/12/73/1309411273.db2.gz OJQQGDSBEKZDMQ-YVZNUBBCSA-N 1 1 330.306 3.261 10 5 EGBEMO CO[C@@]1(C(F)(F)F)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895577612 1309411280 /nfs/dbraw/zinc/41/12/80/1309411280.db2.gz OJQQGDSBEKZDMQ-YVZNUBBCSA-N 1 1 330.306 3.261 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)ccc1Oc1ccc(F)cc1 ZINC000895647700 1309446962 /nfs/dbraw/zinc/44/69/62/1309446962.db2.gz LHGVDDJROFNSGA-FZKQIMNGSA-N 1 1 344.342 3.093 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)ccc1Oc1ccc(F)cc1 ZINC000895647700 1309446967 /nfs/dbraw/zinc/44/69/67/1309446967.db2.gz LHGVDDJROFNSGA-FZKQIMNGSA-N 1 1 344.342 3.093 10 5 EGBEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859124109 1328928110 /nfs/dbraw/zinc/92/81/10/1328928110.db2.gz ZEBFIHSNASLVHR-CYBMUJFWSA-N 1 1 329.400 3.208 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922960322 1322662406 /nfs/dbraw/zinc/66/24/06/1322662406.db2.gz MXQGVQZKJMNHJM-UHFFFAOYSA-N 1 1 333.413 3.031 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287532 1329085509 /nfs/dbraw/zinc/08/55/09/1329085509.db2.gz ZZTCPLICRZJKQR-INIZCTEOSA-N 1 1 347.459 3.151 10 5 EGBEMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[N@H+]1C1CC1 ZINC000859964929 1329120455 /nfs/dbraw/zinc/12/04/55/1329120455.db2.gz MJFFROZXUGQKAL-OCCSQVGLSA-N 1 1 339.395 3.103 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926949160 1327791249 /nfs/dbraw/zinc/79/12/49/1327791249.db2.gz JBIDKQYSDCSEDF-KRWDZBQOSA-N 1 1 326.400 3.364 10 5 EGBEMO C/C=C\C[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000863340403 1329548434 /nfs/dbraw/zinc/54/84/34/1329548434.db2.gz KKYZSDAXYVKVID-GWQWAINWSA-N 1 1 341.415 3.489 10 5 EGBEMO C/C=C\C[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000863340403 1329548436 /nfs/dbraw/zinc/54/84/36/1329548436.db2.gz KKYZSDAXYVKVID-GWQWAINWSA-N 1 1 341.415 3.489 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000863340568 1329548527 /nfs/dbraw/zinc/54/85/27/1329548527.db2.gz LMRNVCVYBYTREF-XGACYXMMSA-N 1 1 329.404 3.284 10 5 EGBEMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001185565331 1387751097 /nfs/dbraw/zinc/75/10/97/1387751097.db2.gz NWTMBTOVHKRIBS-CYBMUJFWSA-N 1 1 334.376 3.179 10 5 EGBEMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001198621039 1369075511 /nfs/dbraw/zinc/07/55/11/1369075511.db2.gz HDKPRCJEHLYTOB-WMZOPIPTSA-N 1 1 347.459 3.168 10 5 EGBEMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001198621039 1369075518 /nfs/dbraw/zinc/07/55/18/1369075518.db2.gz HDKPRCJEHLYTOB-WMZOPIPTSA-N 1 1 347.459 3.168 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(N2CC3(C2)C[NH+](Cc2ccccc2)C3)c(F)c1 ZINC001187297687 1388090507 /nfs/dbraw/zinc/09/05/07/1388090507.db2.gz RWPHDYQQMLYDJQ-UHFFFAOYSA-N 1 1 345.349 3.195 10 5 EGBEMO C[N@H+]1C[C@@H]2CN(c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001187765660 1388158092 /nfs/dbraw/zinc/15/80/92/1388158092.db2.gz NANMMYFWVUQDEO-RISCZKNCSA-N 1 1 329.322 3.002 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC001327660285 1388574795 /nfs/dbraw/zinc/57/47/95/1388574795.db2.gz GTSJILMXATYYEV-AWEZNQCLSA-N 1 1 332.379 3.487 10 5 EGBEMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)cc1[N+](=O)[O-] ZINC001287941741 1381430979 /nfs/dbraw/zinc/43/09/79/1381430979.db2.gz BTNKVSHTUDTZBU-KRWDZBQOSA-N 1 1 345.443 3.430 10 5 EGBEMO C[N@@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001294217879 1382428114 /nfs/dbraw/zinc/42/81/14/1382428114.db2.gz GBSBLBXFHQLRBQ-UHFFFAOYSA-N 1 1 335.448 3.012 10 5 EGBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001164572245 1383199867 /nfs/dbraw/zinc/19/98/67/1383199867.db2.gz CROGDJFFHYSIGE-UHFFFAOYSA-N 1 1 345.802 3.095 10 5 EGBEMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC001300086642 1383642147 /nfs/dbraw/zinc/64/21/47/1383642147.db2.gz IVXNVHKYJWJBQZ-TXEJJXNPSA-N 1 1 339.823 3.111 10 5 EGBEMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307161512 1383948192 /nfs/dbraw/zinc/94/81/92/1383948192.db2.gz WWHOQLABENVLLZ-QGZVFWFLSA-N 1 1 343.402 3.487 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975173 1384067254 /nfs/dbraw/zinc/06/72/54/1384067254.db2.gz VCHBTFUJRMYVMX-XGACYXMMSA-N 1 1 347.415 3.220 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975173 1384067259 /nfs/dbraw/zinc/06/72/59/1384067259.db2.gz VCHBTFUJRMYVMX-XGACYXMMSA-N 1 1 347.415 3.220 10 5 EGBEMO Cn1cc(C[N@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)c([N+](=O)[O-])n1 ZINC001170862124 1384400970 /nfs/dbraw/zinc/40/09/70/1384400970.db2.gz QHZZWDVDAHNMBG-HOTGVXAUSA-N 1 1 344.415 3.006 10 5 EGBEMO Cn1cc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)c([N+](=O)[O-])n1 ZINC001170862124 1384400971 /nfs/dbraw/zinc/40/09/71/1384400971.db2.gz QHZZWDVDAHNMBG-HOTGVXAUSA-N 1 1 344.415 3.006 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001177016121 1385772913 /nfs/dbraw/zinc/77/29/13/1385772913.db2.gz VNPDDTDRAJJSPK-UHFFFAOYSA-N 1 1 328.368 3.128 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC001321504539 1386918564 /nfs/dbraw/zinc/91/85/64/1386918564.db2.gz ICWANWGEWPUURF-INIZCTEOSA-N 1 1 348.786 3.465 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC001330029438 1389288128 /nfs/dbraw/zinc/28/81/28/1389288128.db2.gz KFXOEVCQLKEQMQ-MNOVXSKESA-N 1 1 349.822 3.110 10 5 EGBEMO O=C(C=C1CCC1)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001479867989 1392444813 /nfs/dbraw/zinc/44/48/13/1392444813.db2.gz UWLMLQNFUODYSE-UHFFFAOYSA-N 1 1 343.427 3.176 10 5 EGBEMO C[N@H+](CCNC(=O)C1=CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690936854 1404845174 /nfs/dbraw/zinc/84/51/74/1404845174.db2.gz RQNXHNAOZLJOLL-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO C[N@@H+](CCNC(=O)C1=CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690936854 1404845179 /nfs/dbraw/zinc/84/51/79/1404845179.db2.gz RQNXHNAOZLJOLL-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1cc(C)co1)Cc1cccc([N+](=O)[O-])c1 ZINC001691188710 1405126621 /nfs/dbraw/zinc/12/66/21/1405126621.db2.gz FQPOSWUSLPEFTL-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1CC(C)(C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001707449261 1417353115 /nfs/dbraw/zinc/35/31/15/1417353115.db2.gz VOKOZGZAZTZFMB-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CC[N@@H+](CCNC(=O)C(C)(C)C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001713489262 1418186790 /nfs/dbraw/zinc/18/67/90/1418186790.db2.gz NTJOBHNJYPPNLN-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CCC(C)(C)CC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001715841707 1420364455 /nfs/dbraw/zinc/36/44/55/1420364455.db2.gz PAECPVBCHBPGSV-UHFFFAOYSA-N 1 1 335.448 3.311 10 5 EGBEMO CCC(C)(C)CC(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001715841707 1420364457 /nfs/dbraw/zinc/36/44/57/1420364457.db2.gz PAECPVBCHBPGSV-UHFFFAOYSA-N 1 1 335.448 3.311 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1ccc(C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731815887 1428010232 /nfs/dbraw/zinc/01/02/32/1428010232.db2.gz ZXHFGBONSUCVBW-UHFFFAOYSA-N 1 1 341.411 3.155 10 5 EGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000105851454 204170182 /nfs/dbraw/zinc/17/01/82/204170182.db2.gz TYVZYZPEGONRBD-AWEZNQCLSA-N 1 1 342.399 3.139 10 5 EGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000160479937 206299581 /nfs/dbraw/zinc/29/95/81/206299581.db2.gz NXJTUMRQCGEOLG-CYBMUJFWSA-N 1 1 339.823 3.098 10 5 EGBEMO CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176690892 207249740 /nfs/dbraw/zinc/24/97/40/207249740.db2.gz FQCYQTSIGAXQPY-UKPHBRMFSA-N 1 1 348.447 3.170 10 5 EGBEMO CC(C)(C)O[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000225423998 258072617 /nfs/dbraw/zinc/07/26/17/258072617.db2.gz BKKJTNWQBCSMIL-AWEZNQCLSA-N 1 1 346.387 3.034 10 5 EGBEMO CC(C)(C)O[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000225423998 258072619 /nfs/dbraw/zinc/07/26/19/258072619.db2.gz BKKJTNWQBCSMIL-AWEZNQCLSA-N 1 1 346.387 3.034 10 5 EGBEMO Cc1ccc(N2CCC(Nc3nc(C)ccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000178236195 144066759 /nfs/dbraw/zinc/06/67/59/144066759.db2.gz MHVHFWQRQDKZAD-UHFFFAOYSA-N 1 1 327.388 3.083 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000364083665 144391084 /nfs/dbraw/zinc/39/10/84/144391084.db2.gz UCEXIUPVVCSDTQ-MRXNPFEDSA-N 1 1 347.459 3.090 10 5 EGBEMO C[C@H](NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341108268 155163252 /nfs/dbraw/zinc/16/32/52/155163252.db2.gz HZMYLOZUOOEAOS-ZNMIVQPWSA-N 1 1 348.447 3.218 10 5 EGBEMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccncc2[N+](=O)[O-])C1 ZINC000340154535 155116176 /nfs/dbraw/zinc/11/61/76/155116176.db2.gz HEPXRPZOKLAWND-OAHLLOKOSA-N 1 1 340.427 3.256 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346084231 164333272 /nfs/dbraw/zinc/33/32/72/164333272.db2.gz JYFYSCFLNBSKLD-TXEJJXNPSA-N 1 1 339.823 3.241 10 5 EGBEMO CC[C@H]([NH2+]Cc1nc2ccc(OC)nc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000355004900 166084625 /nfs/dbraw/zinc/08/46/25/166084625.db2.gz KQCIEOJBTRFWIO-ZDUSSCGKSA-N 1 1 341.371 3.116 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359556509 167191861 /nfs/dbraw/zinc/19/18/61/167191861.db2.gz MAIUPKUFWPASEB-SCLBCKFNSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359556509 167191863 /nfs/dbraw/zinc/19/18/63/167191863.db2.gz MAIUPKUFWPASEB-SCLBCKFNSA-N 1 1 331.416 3.354 10 5 EGBEMO COc1cc(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000360210994 167272765 /nfs/dbraw/zinc/27/27/65/167272765.db2.gz ATLHYSMMOQYJJQ-UHFFFAOYSA-N 1 1 330.388 3.015 10 5 EGBEMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CCO2 ZINC000274233445 267202605 /nfs/dbraw/zinc/20/26/05/267202605.db2.gz FQVPLCSHLFIZPY-HNNXBMFYSA-N 1 1 344.367 3.225 10 5 EGBEMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275986183 267460772 /nfs/dbraw/zinc/46/07/72/267460772.db2.gz MLCFSDLGCVLMGV-HAQNSBGRSA-N 1 1 343.221 3.093 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000288776157 276251601 /nfs/dbraw/zinc/25/16/01/276251601.db2.gz BKNMLTUBEFCQIK-OCCSQVGLSA-N 1 1 347.415 3.052 10 5 EGBEMO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2n1CCCC2 ZINC000192911240 278383550 /nfs/dbraw/zinc/38/35/50/278383550.db2.gz QLPVWHHRFNEIRW-WBMJQRKESA-N 1 1 341.415 3.251 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413057305 309013769 /nfs/dbraw/zinc/01/37/69/309013769.db2.gz FMCQCSQBLCBCCS-JTQLQIEISA-N 1 1 332.326 3.295 10 5 EGBEMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000418135504 309237059 /nfs/dbraw/zinc/23/70/59/309237059.db2.gz ASSVQEXVOVZSIK-KRWDZBQOSA-N 1 1 327.384 3.342 10 5 EGBEMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449498754 310067109 /nfs/dbraw/zinc/06/71/09/310067109.db2.gz LBFAKCDZWOJRSX-HNNXBMFYSA-N 1 1 327.384 3.383 10 5 EGBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCN(CC(F)(F)F)CC1 ZINC000449760638 310085252 /nfs/dbraw/zinc/08/52/52/310085252.db2.gz QDWORCOZDOJNPR-UHFFFAOYSA-N 1 1 349.328 3.192 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000455410122 310359425 /nfs/dbraw/zinc/35/94/25/310359425.db2.gz HNSVREQYFIDEGF-WBMJQRKESA-N 1 1 346.431 3.060 10 5 EGBEMO Cc1cc(NC2CC([NH+]3CCCCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000480820538 310901376 /nfs/dbraw/zinc/90/13/76/310901376.db2.gz FACKQDXWZSMXAA-UHFFFAOYSA-N 1 1 340.427 3.302 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000488683851 311074932 /nfs/dbraw/zinc/07/49/32/311074932.db2.gz OHLMTNIAHJQJBP-CYBMUJFWSA-N 1 1 349.431 3.443 10 5 EGBEMO CC(C)[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538812761 314277864 /nfs/dbraw/zinc/27/78/64/314277864.db2.gz FGXWRVKEJROFOJ-OAHLLOKOSA-N 1 1 328.416 3.473 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245396551 455286521 /nfs/dbraw/zinc/28/65/21/455286521.db2.gz LQSUUDAGMQPGEQ-XJKSGUPXSA-N 1 1 347.415 3.197 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000245451053 455304099 /nfs/dbraw/zinc/30/40/99/455304099.db2.gz PEDYIMAJLSEYIO-CHWSQXEVSA-N 1 1 335.404 3.052 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000245451053 455304101 /nfs/dbraw/zinc/30/41/01/455304101.db2.gz PEDYIMAJLSEYIO-CHWSQXEVSA-N 1 1 335.404 3.052 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000174012610 455350769 /nfs/dbraw/zinc/35/07/69/455350769.db2.gz HCXMBSIGOJIZAQ-CHWSQXEVSA-N 1 1 335.404 3.052 10 5 EGBEMO Cc1sc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1[N+](=O)[O-] ZINC000053546250 453885844 /nfs/dbraw/zinc/88/58/44/453885844.db2.gz UEPFQJWNFZHXJC-UHFFFAOYSA-N 1 1 343.368 3.106 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055023047 453956827 /nfs/dbraw/zinc/95/68/27/453956827.db2.gz HOYPYWQKRWSBCF-UHFFFAOYSA-N 1 1 345.374 3.155 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000055023047 453956830 /nfs/dbraw/zinc/95/68/30/453956830.db2.gz HOYPYWQKRWSBCF-UHFFFAOYSA-N 1 1 345.374 3.155 10 5 EGBEMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000095347310 454195498 /nfs/dbraw/zinc/19/54/98/454195498.db2.gz IYCWFEGMSNJANP-ZDUSSCGKSA-N 1 1 330.363 3.012 10 5 EGBEMO CCOC(=O)[C@@H]1CCC[C@@H]1[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000095457019 454214865 /nfs/dbraw/zinc/21/48/65/454214865.db2.gz QFRVEVKHKCAMSG-SJORKVTESA-N 1 1 332.400 3.291 10 5 EGBEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090550560 454320021 /nfs/dbraw/zinc/32/00/21/454320021.db2.gz BFAWUPRBHHLKOR-INIZCTEOSA-N 1 1 345.399 3.139 10 5 EGBEMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1c(C)nn(C)c1C ZINC000122456116 454535550 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3.188 10 5 EGBEMO COc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000246262574 455459578 /nfs/dbraw/zinc/45/95/78/455459578.db2.gz LKGAFWOWEFUCII-RBUKOAKNSA-N 1 1 342.395 3.474 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000182342199 455492617 /nfs/dbraw/zinc/49/26/17/455492617.db2.gz YYUKVHDOFTVJER-MLGOLLRUSA-N 1 1 325.840 3.410 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247981966 455665322 /nfs/dbraw/zinc/66/53/22/455665322.db2.gz HQLVUCFTARCWEL-ROUUACIJSA-N 1 1 339.395 3.078 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285790970 455917049 /nfs/dbraw/zinc/91/70/49/455917049.db2.gz XUUWFIKHPOLVFY-ZBEGNZNMSA-N 1 1 327.375 3.035 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187806445 455955609 /nfs/dbraw/zinc/95/56/09/455955609.db2.gz ZOZQMTOYSCQSGK-HZPDHXFCSA-N 1 1 345.443 3.417 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280985907 456100977 /nfs/dbraw/zinc/10/09/77/456100977.db2.gz LLJAZCOPFUPPRX-KSSFIOAISA-N 1 1 327.384 3.342 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000301782392 456213975 /nfs/dbraw/zinc/21/39/75/456213975.db2.gz SXFIGSIZPFWBGD-GFCCVEGCSA-N 1 1 325.384 3.275 10 5 EGBEMO C[C@H]1CCCC[N@@H+]1CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000301893485 456243286 /nfs/dbraw/zinc/24/32/86/456243286.db2.gz PBOUONRTEILZMD-JTQLQIEISA-N 1 1 343.225 3.039 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000301893485 456243291 /nfs/dbraw/zinc/24/32/91/456243291.db2.gz PBOUONRTEILZMD-JTQLQIEISA-N 1 1 343.225 3.039 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000297532223 456244181 /nfs/dbraw/zinc/24/41/81/456244181.db2.gz IHQMVGOQPZLXKF-GRDNDAEWSA-N 1 1 348.447 3.028 10 5 EGBEMO CCOc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1F ZINC000601148371 460730919 /nfs/dbraw/zinc/73/09/19/460730919.db2.gz AHKILEGKIVRNEZ-GOSISDBHSA-N 1 1 348.374 3.130 10 5 EGBEMO Cc1nc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000282012762 456389756 /nfs/dbraw/zinc/38/97/56/456389756.db2.gz VGLKOFPJIDKFGI-CQSZACIVSA-N 1 1 341.415 3.215 10 5 EGBEMO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000353151066 456523376 /nfs/dbraw/zinc/52/33/76/456523376.db2.gz FFYUUXDORVDSMZ-SFHVURJKSA-N 1 1 346.358 3.302 10 5 EGBEMO COc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000348342659 456635833 /nfs/dbraw/zinc/63/58/33/456635833.db2.gz BSYWETCYGGSWGB-UHFFFAOYSA-N 1 1 345.399 3.466 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000340759534 456671630 /nfs/dbraw/zinc/67/16/30/456671630.db2.gz SPYZLPXESJNBSH-LSDHHAIUSA-N 1 1 340.420 3.220 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(F)c1 ZINC000340759534 456671632 /nfs/dbraw/zinc/67/16/32/456671632.db2.gz SPYZLPXESJNBSH-LSDHHAIUSA-N 1 1 340.420 3.220 10 5 EGBEMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000283434072 456780324 /nfs/dbraw/zinc/78/03/24/456780324.db2.gz BTGZWMDDTXCGBH-ZBFHGGJFSA-N 1 1 331.416 3.249 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000349971365 457127392 /nfs/dbraw/zinc/12/73/92/457127392.db2.gz JIWHWTHODDGEIG-UHFFFAOYSA-N 1 1 331.441 3.283 10 5 EGBEMO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCN1CC(F)F ZINC000349973183 457128090 /nfs/dbraw/zinc/12/80/90/457128090.db2.gz LBFBBQVCOQXTQV-AWEZNQCLSA-N 1 1 327.375 3.065 10 5 EGBEMO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCN1CC(F)F ZINC000349973183 457128095 /nfs/dbraw/zinc/12/80/95/457128095.db2.gz LBFBBQVCOQXTQV-AWEZNQCLSA-N 1 1 327.375 3.065 10 5 EGBEMO COC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342339202 457244748 /nfs/dbraw/zinc/24/47/48/457244748.db2.gz HHOKGQCIDNEBOO-OAHLLOKOSA-N 1 1 334.347 3.220 10 5 EGBEMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)[C@@H]2C1 ZINC000425287434 457483718 /nfs/dbraw/zinc/48/37/18/457483718.db2.gz RNUBCDFHMQPKLQ-XJKSGUPXSA-N 1 1 333.432 3.303 10 5 EGBEMO COCC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342734195 457486081 /nfs/dbraw/zinc/48/60/81/457486081.db2.gz HUFLKDSOWHMMCK-HUUCEWRRSA-N 1 1 349.431 3.060 10 5 EGBEMO COCC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342734173 457486372 /nfs/dbraw/zinc/48/63/72/457486372.db2.gz HUFLKDSOWHMMCK-CABCVRRESA-N 1 1 349.431 3.060 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000364432967 457602597 /nfs/dbraw/zinc/60/25/97/457602597.db2.gz DUOKAMFFTIQTEP-ORAYPTAESA-N 1 1 337.379 3.252 10 5 EGBEMO COCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000426502535 457844013 /nfs/dbraw/zinc/84/40/13/457844013.db2.gz CFTJTYBRMGTZCC-MRXNPFEDSA-N 1 1 346.383 3.092 10 5 EGBEMO O=C(CC[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444703925 457947888 /nfs/dbraw/zinc/94/78/88/457947888.db2.gz SSHAJKWHOWZGGE-NSHDSACASA-N 1 1 345.321 3.198 10 5 EGBEMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000367572377 457964663 /nfs/dbraw/zinc/96/46/63/457964663.db2.gz DPIYWFKHDPQRKJ-YJBOKZPZSA-N 1 1 341.411 3.230 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@H+](C)C(C)C ZINC000445258838 458033171 /nfs/dbraw/zinc/03/31/71/458033171.db2.gz HGSMUDBAMWINDN-UHFFFAOYSA-N 1 1 327.812 3.017 10 5 EGBEMO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000434958543 458070807 /nfs/dbraw/zinc/07/08/07/458070807.db2.gz NQHWMCSWSHKEQW-HNNXBMFYSA-N 1 1 346.818 3.354 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](O)[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000428453197 458145403 /nfs/dbraw/zinc/14/54/03/458145403.db2.gz ARKOQBOKNGMMCK-SJCJKPOMSA-N 1 1 346.383 3.066 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362447540 458183083 /nfs/dbraw/zinc/18/30/83/458183083.db2.gz LIGHGPZDBVGPOQ-PBHICJAKSA-N 1 1 334.416 3.383 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000447680510 458329046 /nfs/dbraw/zinc/32/90/46/458329046.db2.gz OTNVBWHOEFGZJK-UHFFFAOYSA-N 1 1 342.399 3.358 10 5 EGBEMO COC(=O)c1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)cc(C)c1[N+](=O)[O-] ZINC000474782786 458900956 /nfs/dbraw/zinc/90/09/56/458900956.db2.gz ZSHDFHRHKCEUCR-AWEZNQCLSA-N 1 1 349.431 3.000 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000594738765 459147996 /nfs/dbraw/zinc/14/79/96/459147996.db2.gz MWURSPSMGNQWSM-NFTRUMFPSA-N 1 1 337.423 3.343 10 5 EGBEMO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482008402 459286409 /nfs/dbraw/zinc/28/64/09/459286409.db2.gz MFRYBHVUSNVVJX-WBVHZDCISA-N 1 1 340.427 3.355 10 5 EGBEMO COc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000595503266 459327413 /nfs/dbraw/zinc/32/74/13/459327413.db2.gz ZKGAOWPNMJNNDN-OAHLLOKOSA-N 1 1 327.384 3.378 10 5 EGBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](CCC1CC1)CC1CC1 ZINC000595871845 459468648 /nfs/dbraw/zinc/46/86/48/459468648.db2.gz RUKHETMFAFZTIR-CYBMUJFWSA-N 1 1 331.416 3.434 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(F)c1 ZINC000595910719 459482761 /nfs/dbraw/zinc/48/27/61/459482761.db2.gz QVZUGIHJLHHDPI-CALCHBBNSA-N 1 1 338.354 3.266 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(F)c1 ZINC000595910719 459482771 /nfs/dbraw/zinc/48/27/71/459482771.db2.gz QVZUGIHJLHHDPI-CALCHBBNSA-N 1 1 338.354 3.266 10 5 EGBEMO COc1cncc(/C=C/CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000592085010 459521837 /nfs/dbraw/zinc/52/18/37/459521837.db2.gz AEKGTHVDKAMHBL-GORDUTHDSA-N 1 1 339.395 3.460 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CC=CCC1 ZINC000542245970 459539271 /nfs/dbraw/zinc/53/92/71/459539271.db2.gz XMNOOMOUTSGDLJ-GFCCVEGCSA-N 1 1 337.807 3.475 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000596169454 459546034 /nfs/dbraw/zinc/54/60/34/459546034.db2.gz XJKRPWQENMQIBF-ZDUSSCGKSA-N 1 1 336.436 3.075 10 5 EGBEMO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697063 459625062 /nfs/dbraw/zinc/62/50/62/459625062.db2.gz XBXSURACEQRKPN-AUUYWEPGSA-N 1 1 326.396 3.118 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000543631305 459677822 /nfs/dbraw/zinc/67/78/22/459677822.db2.gz GFBNVEFBXHVDCR-UHFFFAOYSA-N 1 1 328.368 3.306 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000598466206 459904999 /nfs/dbraw/zinc/90/49/99/459904999.db2.gz NRHAFNZVKUBSHF-UHFFFAOYSA-N 1 1 339.461 3.167 10 5 EGBEMO C[C@@H]1C[N@H+](Cc2cccc(Nc3cccnc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000609964520 460042726 /nfs/dbraw/zinc/04/27/26/460042726.db2.gz OXEGRZXGQZSBMM-OKILXGFUSA-N 1 1 342.399 3.343 10 5 EGBEMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000589349846 460076781 /nfs/dbraw/zinc/07/67/81/460076781.db2.gz TZFGAOIOCNCGIP-QWHCGFSZSA-N 1 1 346.456 3.336 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597858145 460081939 /nfs/dbraw/zinc/08/19/39/460081939.db2.gz KJKYJOQMVQHUKX-LBPRGKRZSA-N 1 1 339.823 3.159 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000589510945 460096961 /nfs/dbraw/zinc/09/69/61/460096961.db2.gz XRWZKRAIYVSZTD-ACJLOTCBSA-N 1 1 332.400 3.394 10 5 EGBEMO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598042718 460152938 /nfs/dbraw/zinc/15/29/38/460152938.db2.gz XCWIDUDZIHNTQF-OAHLLOKOSA-N 1 1 333.432 3.275 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000599141253 460174114 /nfs/dbraw/zinc/17/41/14/460174114.db2.gz ZVRAAGRBYTZFHM-KRWDZBQOSA-N 1 1 327.384 3.290 10 5 EGBEMO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599694253 460313619 /nfs/dbraw/zinc/31/36/19/460313619.db2.gz GGPDLEWQIGFQSL-OAHLLOKOSA-N 1 1 332.404 3.042 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000611615606 460413689 /nfs/dbraw/zinc/41/36/89/460413689.db2.gz JXDQKUBKXIISBZ-UHFFFAOYSA-N 1 1 340.427 3.319 10 5 EGBEMO CC1(C)CCC[N@H+]1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601619977 460848238 /nfs/dbraw/zinc/84/82/38/460848238.db2.gz GRLZCKFQGHYCBQ-UHFFFAOYSA-N 1 1 345.443 3.007 10 5 EGBEMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000172937513 1294450567 /nfs/dbraw/zinc/45/05/67/1294450567.db2.gz KIFDIEXTCBEUCF-UHFFFAOYSA-N 1 1 331.372 3.116 10 5 EGBEMO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC2(C1)CCCCC2 ZINC000172937513 1294450572 /nfs/dbraw/zinc/45/05/72/1294450572.db2.gz KIFDIEXTCBEUCF-UHFFFAOYSA-N 1 1 331.372 3.116 10 5 EGBEMO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043407 1296692874 /nfs/dbraw/zinc/69/28/74/1296692874.db2.gz HWBQNRGBKATXIG-OCCSQVGLSA-N 1 1 349.406 3.176 10 5 EGBEMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000872073403 1296717512 /nfs/dbraw/zinc/71/75/12/1296717512.db2.gz QLVIDENSEMBNIK-WDEREUQCSA-N 1 1 332.429 3.248 10 5 EGBEMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000872073400 1296718375 /nfs/dbraw/zinc/71/83/75/1296718375.db2.gz QLVIDENSEMBNIK-GHMZBOCLSA-N 1 1 332.429 3.248 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896237233 1309761977 /nfs/dbraw/zinc/76/19/77/1309761977.db2.gz LDFSFPRELFYJGQ-JQVXPOPVSA-N 1 1 328.372 3.179 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nc1 ZINC000858038802 1328668311 /nfs/dbraw/zinc/66/83/11/1328668311.db2.gz PBNXCIMKZNMMEG-HNNXBMFYSA-N 1 1 331.347 3.091 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)nc1 ZINC000858038802 1328668315 /nfs/dbraw/zinc/66/83/15/1328668315.db2.gz PBNXCIMKZNMMEG-HNNXBMFYSA-N 1 1 331.347 3.091 10 5 EGBEMO COC(=O)/C=C/c1ccc(NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000917069162 1319747015 /nfs/dbraw/zinc/74/70/15/1319747015.db2.gz OHMUJZBOMAPQDB-KGXGESDWSA-N 1 1 347.415 3.067 10 5 EGBEMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859556228 1329016069 /nfs/dbraw/zinc/01/60/69/1329016069.db2.gz IMMFOSBXQNLDNC-ACJLOTCBSA-N 1 1 341.411 3.160 10 5 EGBEMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@@H]1C ZINC000860501132 1329324901 /nfs/dbraw/zinc/32/49/01/1329324901.db2.gz MWDKCVAYDRFDOS-UONOGXRCSA-N 1 1 341.411 3.303 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862482996 1329490376 /nfs/dbraw/zinc/49/03/76/1329490376.db2.gz NFGNTQDAMAPOEA-LJQANCHMSA-N 1 1 326.396 3.387 10 5 EGBEMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)CC[C@@H]21 ZINC000866207746 1330078757 /nfs/dbraw/zinc/07/87/57/1330078757.db2.gz JOMNWQWQJPQFRH-ZFWWWQNUSA-N 1 1 333.432 3.303 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000866480888 1330117371 /nfs/dbraw/zinc/11/73/71/1330117371.db2.gz MAPKFXWBOXHUPZ-JKSUJKDBSA-N 1 1 346.456 3.293 10 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ZINC001266359679 1377294032 /nfs/dbraw/zinc/29/40/32/1377294032.db2.gz AMEBERICNKUCGL-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO C[N@@H+](CCNC(=O)C12CCC(CC1)CC2)Cc1ccccc1[N+](=O)[O-] ZINC001266359679 1377294034 /nfs/dbraw/zinc/29/40/34/1377294034.db2.gz AMEBERICNKUCGL-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1ccc(C)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266372010 1377297403 /nfs/dbraw/zinc/29/74/03/1377297403.db2.gz NYWNRKWUKHDRKL-UHFFFAOYSA-N 1 1 347.440 3.217 10 5 EGBEMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001153609985 1380102574 /nfs/dbraw/zinc/10/25/74/1380102574.db2.gz SQTLXJUGLRLJQR-AWEZNQCLSA-N 1 1 345.786 3.165 10 5 EGBEMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC001153609985 1380102575 /nfs/dbraw/zinc/10/25/75/1380102575.db2.gz SQTLXJUGLRLJQR-AWEZNQCLSA-N 1 1 345.786 3.165 10 5 EGBEMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC001164380711 1383182863 /nfs/dbraw/zinc/18/28/63/1383182863.db2.gz ZOXYEYYCSJCZPE-GAFUQQFSSA-N 1 1 329.322 3.366 10 5 EGBEMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001167765544 1383736163 /nfs/dbraw/zinc/73/61/63/1383736163.db2.gz FRWMVKGSQAOAEB-IAGOWNOFSA-N 1 1 336.432 3.499 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307457167 1383994666 /nfs/dbraw/zinc/99/46/66/1383994666.db2.gz CCVOUGVUYPYPKL-PHIMTYICSA-N 1 1 325.796 3.450 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307457167 1383994670 /nfs/dbraw/zinc/99/46/70/1383994670.db2.gz CCVOUGVUYPYPKL-PHIMTYICSA-N 1 1 325.796 3.450 10 5 EGBEMO C[N@H+]1C[C@@]23CN(Cc4ccc([N+](=O)[O-])cc4F)C[C@]2(C1)CCCC3 ZINC001308170784 1384105180 /nfs/dbraw/zinc/10/51/80/1384105180.db2.gz NKKFIOKOERVHFE-HDICACEKSA-N 1 1 333.407 3.042 10 5 EGBEMO CC[N@@H+](CCNC(=O)C1=CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001317473888 1385169627 /nfs/dbraw/zinc/16/96/27/1385169627.db2.gz CDXDBELUKQDMQW-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1ccoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317540216 1385276890 /nfs/dbraw/zinc/27/68/90/1385276890.db2.gz JLXBPRDMAPMQNX-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001176515451 1385612620 /nfs/dbraw/zinc/61/26/20/1385612620.db2.gz IRUAZBOBNSXBPC-OAHLLOKOSA-N 1 1 335.404 3.036 10 5 EGBEMO COc1cc(C[N@@H+]2CCCC[C@@]23CCCOC3)c([N+](=O)[O-])cc1F ZINC001177007650 1385771274 /nfs/dbraw/zinc/77/12/74/1385771274.db2.gz BYLHHFHNTXRWFV-KRWDZBQOSA-N 1 1 338.379 3.278 10 5 EGBEMO COc1cc(C[N@H+]2CCCC[C@@]23CCCOC3)c([N+](=O)[O-])cc1F ZINC001177007650 1385771276 /nfs/dbraw/zinc/77/12/76/1385771276.db2.gz BYLHHFHNTXRWFV-KRWDZBQOSA-N 1 1 338.379 3.278 10 5 EGBEMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001319400825 1386104330 /nfs/dbraw/zinc/10/43/30/1386104330.db2.gz UYLRGHFJYUUFKK-IFXJQAMLSA-N 1 1 344.411 3.200 10 5 EGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001320372403 1386591060 /nfs/dbraw/zinc/59/10/60/1386591060.db2.gz LQOHHVCBDPLLJK-HNNXBMFYSA-N 1 1 327.384 3.236 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1C ZINC001332242832 1390062574 /nfs/dbraw/zinc/06/25/74/1390062574.db2.gz WEKQRDJKQHLYMS-MRXNPFEDSA-N 1 1 345.443 3.348 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccsc1 ZINC001484731486 1395493358 /nfs/dbraw/zinc/49/33/58/1395493358.db2.gz BDSOSUWHJKIBMM-UHFFFAOYSA-N 1 1 347.440 3.250 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC1 ZINC001486361473 1396192668 /nfs/dbraw/zinc/19/26/68/1396192668.db2.gz XXUNDRLWMXGSES-UHFFFAOYSA-N 1 1 333.432 3.064 10 5 EGBEMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCCC1 ZINC001715507894 1420191385 /nfs/dbraw/zinc/19/13/85/1420191385.db2.gz AOLHFEGGQDZGRF-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCCC1 ZINC001715507894 1420191388 /nfs/dbraw/zinc/19/13/88/1420191388.db2.gz AOLHFEGGQDZGRF-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO Cc1ccsc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001715510183 1420193895 /nfs/dbraw/zinc/19/38/95/1420193895.db2.gz RHZBEKBMKKCTAG-UHFFFAOYSA-N 1 1 347.440 3.169 10 5 EGBEMO Cc1ccsc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001715510183 1420193897 /nfs/dbraw/zinc/19/38/97/1420193897.db2.gz RHZBEKBMKKCTAG-UHFFFAOYSA-N 1 1 347.440 3.169 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1=CCCCC1 ZINC001715778150 1420340580 /nfs/dbraw/zinc/34/05/80/1420340580.db2.gz FKFBZBIQIOQUOB-UHFFFAOYSA-N 1 1 345.443 3.376 10 5 EGBEMO C/C(=C\C(=O)N(C)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001724842317 1425191895 /nfs/dbraw/zinc/19/18/95/1425191895.db2.gz BBDJKEKQKYWAFY-FYWRMAATSA-N 1 1 345.443 3.231 10 5 EGBEMO Cc1ccoc1C(=O)N(C)CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001724844028 1425194480 /nfs/dbraw/zinc/19/44/80/1425194480.db2.gz HZGYHSLOBIUGNQ-UHFFFAOYSA-N 1 1 345.399 3.090 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245979667 243178369 /nfs/dbraw/zinc/17/83/69/243178369.db2.gz GTXUGHGGJUOIKE-SWLSCSKDSA-N 1 1 334.420 3.097 10 5 EGBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCSCC1 ZINC000089985023 203608173 /nfs/dbraw/zinc/60/81/73/203608173.db2.gz XVYQLDVQNZRRNX-LLVKDONJSA-N 1 1 334.401 3.145 10 5 EGBEMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000045654596 204332292 /nfs/dbraw/zinc/33/22/92/204332292.db2.gz WIWAFRASYVFPNW-LLVKDONJSA-N 1 1 328.210 3.252 10 5 EGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000160456270 206299515 /nfs/dbraw/zinc/29/95/15/206299515.db2.gz BRTVGIZUDQOSQC-CYBMUJFWSA-N 1 1 339.823 3.098 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000175895889 207171124 /nfs/dbraw/zinc/17/11/24/207171124.db2.gz GWDNUYXZSFHKHA-BXUZGUMPSA-N 1 1 339.823 3.051 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176989944 207280302 /nfs/dbraw/zinc/28/03/02/207280302.db2.gz FCTREVUUHBKUNO-CQSZACIVSA-N 1 1 347.440 3.366 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187816525 144165218 /nfs/dbraw/zinc/16/52/18/144165218.db2.gz MLTVBBMABHNNFF-OAHLLOKOSA-N 1 1 333.432 3.275 10 5 EGBEMO Cc1c(NC(=O)CC[N@H+](C(C)C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000119573819 152214816 /nfs/dbraw/zinc/21/48/16/152214816.db2.gz MHACTUIAELBNKD-UHFFFAOYSA-N 1 1 349.431 3.121 10 5 EGBEMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000303586074 154048326 /nfs/dbraw/zinc/04/83/26/154048326.db2.gz QNEUGBYZPMQVSW-IEBWSBKVSA-N 1 1 346.427 3.157 10 5 EGBEMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344084180 164099292 /nfs/dbraw/zinc/09/92/92/164099292.db2.gz GDEHTAYDTVZCPT-OAHLLOKOSA-N 1 1 331.416 3.354 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355739905 166293379 /nfs/dbraw/zinc/29/33/79/166293379.db2.gz JPZAZTKBINZAOT-HZSPNIEDSA-N 1 1 349.431 3.298 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359554690 167190963 /nfs/dbraw/zinc/19/09/63/167190963.db2.gz JJQWPRJXOFATNB-FZKQIMNGSA-N 1 1 331.416 3.354 10 5 EGBEMO CC[C@@H](NC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175782702 265137864 /nfs/dbraw/zinc/13/78/64/265137864.db2.gz QNTLBVCMLDJTJI-WMLDXEAASA-N 1 1 348.447 3.077 10 5 EGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000273404416 267034279 /nfs/dbraw/zinc/03/42/79/267034279.db2.gz JLLODBUQSOCKEH-QJBGNIAUSA-N 1 1 343.427 3.130 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278412150 268007664 /nfs/dbraw/zinc/00/76/64/268007664.db2.gz QDZSMNNBFHKUPY-TZMCWYRMSA-N 1 1 332.322 3.038 10 5 EGBEMO COc1ccc(CN[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000185686387 275215985 /nfs/dbraw/zinc/21/59/85/275215985.db2.gz BKTBBJDWDNTAEA-LIRRHRJNSA-N 1 1 343.427 3.384 10 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ZINC000451548848 310185316 /nfs/dbraw/zinc/18/53/16/310185316.db2.gz OQXRRXQTFZGDBB-HNNXBMFYSA-N 1 1 341.415 3.209 10 5 EGBEMO Cc1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C1CC1 ZINC000451548848 310185317 /nfs/dbraw/zinc/18/53/17/310185317.db2.gz OQXRRXQTFZGDBB-HNNXBMFYSA-N 1 1 341.415 3.209 10 5 EGBEMO CC(C)(C)C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488410768 311064138 /nfs/dbraw/zinc/06/41/38/311064138.db2.gz LYQFUKIPEJTBJW-HZPDHXFCSA-N 1 1 336.432 3.235 10 5 EGBEMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000508582198 312097212 /nfs/dbraw/zinc/09/72/12/312097212.db2.gz MBIYXKQQJARWLP-LBPRGKRZSA-N 1 1 346.408 3.318 10 5 EGBEMO C[C@@H]1C[C@H](CCNc2ccncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000511641471 312165140 /nfs/dbraw/zinc/16/51/40/312165140.db2.gz BQZITDJMGZMJMP-WBVHZDCISA-N 1 1 340.427 3.124 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000552168558 315203402 /nfs/dbraw/zinc/20/34/02/315203402.db2.gz IVKXOAZNTXULCO-UHFFFAOYSA-N 1 1 345.443 3.311 10 5 EGBEMO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000093298299 454700454 /nfs/dbraw/zinc/70/04/54/454700454.db2.gz QSKMHCQYVXWPQL-LBPRGKRZSA-N 1 1 326.418 3.068 10 5 EGBEMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000093298299 454700456 /nfs/dbraw/zinc/70/04/56/454700456.db2.gz QSKMHCQYVXWPQL-LBPRGKRZSA-N 1 1 326.418 3.068 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000427486461 457993626 /nfs/dbraw/zinc/99/36/26/457993626.db2.gz JFGCCUMRQKDYPB-LLVKDONJSA-N 1 1 327.812 3.015 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000183255825 455262355 /nfs/dbraw/zinc/26/23/55/455262355.db2.gz CHYBBXUZINNXMS-UHFFFAOYSA-N 1 1 346.818 3.274 10 5 EGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCSCC1 ZINC000089985022 454254476 /nfs/dbraw/zinc/25/44/76/454254476.db2.gz XVYQLDVQNZRRNX-NSHDSACASA-N 1 1 334.401 3.145 10 5 EGBEMO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090687983 454336566 /nfs/dbraw/zinc/33/65/66/454336566.db2.gz FQCYQTSIGAXQPY-UNEWFSDZSA-N 1 1 348.447 3.170 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000121625438 454458990 /nfs/dbraw/zinc/45/89/90/454458990.db2.gz HFYOFFIZUCUWPD-GQCTYLIASA-N 1 1 339.395 3.136 10 5 EGBEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124745361 454766400 /nfs/dbraw/zinc/76/64/00/454766400.db2.gz GGLBTSXJKXJWNW-ZFWWWQNUSA-N 1 1 347.459 3.447 10 5 EGBEMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000153793072 454833664 /nfs/dbraw/zinc/83/36/64/454833664.db2.gz ZFIKQDKUMBQMCC-LBPRGKRZSA-N 1 1 339.461 3.029 10 5 EGBEMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000150747315 454886252 /nfs/dbraw/zinc/88/62/52/454886252.db2.gz PVFAFGZFFMUFAG-ZDUSSCGKSA-N 1 1 335.404 3.197 10 5 EGBEMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000156198181 455092126 /nfs/dbraw/zinc/09/21/26/455092126.db2.gz JBHFRJNXRUUTKF-CQSZACIVSA-N 1 1 330.384 3.242 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245499509 455314687 /nfs/dbraw/zinc/31/46/87/455314687.db2.gz YGCPEVGVONVHHX-WBVHZDCISA-N 1 1 333.432 3.051 10 5 EGBEMO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182040369 455422058 /nfs/dbraw/zinc/42/20/58/455422058.db2.gz CARHLUVHXSRPRS-GFCCVEGCSA-N 1 1 341.346 3.165 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000246214954 455450633 /nfs/dbraw/zinc/45/06/33/455450633.db2.gz CQVRWCDABKWRFL-LSDHHAIUSA-N 1 1 333.413 3.312 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000246214954 455450638 /nfs/dbraw/zinc/45/06/38/455450638.db2.gz CQVRWCDABKWRFL-LSDHHAIUSA-N 1 1 333.413 3.312 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246466899 455495468 /nfs/dbraw/zinc/49/54/68/455495468.db2.gz PUDKIDKWGBRLKG-TZMCWYRMSA-N 1 1 334.420 3.062 10 5 EGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185378283 455550455 /nfs/dbraw/zinc/55/04/55/455550455.db2.gz PKTAUFZRGPAIBI-CYBMUJFWSA-N 1 1 330.388 3.204 10 5 EGBEMO C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271859322 455790368 /nfs/dbraw/zinc/79/03/68/455790368.db2.gz YICNAPWMONUXRB-UONOGXRCSA-N 1 1 348.424 3.108 10 5 EGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195356156 455949605 /nfs/dbraw/zinc/94/96/05/455949605.db2.gz FJQTUWTYFZCDQX-ZDUSSCGKSA-N 1 1 333.413 3.310 10 5 EGBEMO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000301446671 456117247 /nfs/dbraw/zinc/11/72/47/456117247.db2.gz RIHOCNPLDRXEJR-ZBFHGGJFSA-N 1 1 341.415 3.016 10 5 EGBEMO Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903507 456247443 /nfs/dbraw/zinc/24/74/43/456247443.db2.gz OYBMHBZWTSVIBX-YOEHRIQHSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903507 456247445 /nfs/dbraw/zinc/24/74/45/456247445.db2.gz OYBMHBZWTSVIBX-YOEHRIQHSA-N 1 1 348.353 3.434 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301967900 456260220 /nfs/dbraw/zinc/26/02/20/456260220.db2.gz XCQHBWXENIPALS-AAEUAGOBSA-N 1 1 341.358 3.259 10 5 EGBEMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975193 457422495 /nfs/dbraw/zinc/42/24/95/457422495.db2.gz GYIKEXKZJVIZNE-VKJFTORMSA-N 1 1 334.416 3.062 10 5 EGBEMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975193 457422506 /nfs/dbraw/zinc/42/25/06/457422506.db2.gz GYIKEXKZJVIZNE-VKJFTORMSA-N 1 1 334.416 3.062 10 5 EGBEMO COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000352524534 457438940 /nfs/dbraw/zinc/43/89/40/457438940.db2.gz BSPPUQVZHAASLN-UHFFFAOYSA-N 1 1 344.367 3.022 10 5 EGBEMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000352524534 457438949 /nfs/dbraw/zinc/43/89/49/457438949.db2.gz BSPPUQVZHAASLN-UHFFFAOYSA-N 1 1 344.367 3.022 10 5 EGBEMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374796465 457709187 /nfs/dbraw/zinc/70/91/87/457709187.db2.gz VIGZXHJRBLMTLD-CQSZACIVSA-N 1 1 349.362 3.130 10 5 EGBEMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374796465 457709192 /nfs/dbraw/zinc/70/91/92/457709192.db2.gz VIGZXHJRBLMTLD-CQSZACIVSA-N 1 1 349.362 3.130 10 5 EGBEMO Cc1cnc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000428245903 458106292 /nfs/dbraw/zinc/10/62/92/458106292.db2.gz XMJIIHSKNOEJRQ-AWEZNQCLSA-N 1 1 342.399 3.298 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000373773304 458598622 /nfs/dbraw/zinc/59/86/22/458598622.db2.gz UAMXJMSBMLQJHP-UHFFFAOYSA-N 1 1 342.399 3.081 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000462763919 458651236 /nfs/dbraw/zinc/65/12/36/458651236.db2.gz 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COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1 ZINC000590658894 459174471 /nfs/dbraw/zinc/17/44/71/459174471.db2.gz MDFDZTVFQFRLHG-XIEZEKGWSA-N 1 1 342.395 3.025 10 5 EGBEMO CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595692812 459399294 /nfs/dbraw/zinc/39/92/94/459399294.db2.gz QPLJECFSILEUBE-ZBFHGGJFSA-N 1 1 348.447 3.218 10 5 EGBEMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000541618844 459474204 /nfs/dbraw/zinc/47/42/04/459474204.db2.gz PVPPHFFEAZJRBV-DZGCQCFKSA-N 1 1 326.824 3.477 10 5 EGBEMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000541618844 459474211 /nfs/dbraw/zinc/47/42/11/459474211.db2.gz PVPPHFFEAZJRBV-DZGCQCFKSA-N 1 1 326.824 3.477 10 5 EGBEMO O=[N+]([O-])c1ccc(CN(Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000595890995 459477180 /nfs/dbraw/zinc/47/71/80/459477180.db2.gz HDERIDQUVMCTES-UHFFFAOYSA-N 1 1 337.423 3.405 10 5 EGBEMO COc1cc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596118750 459528317 /nfs/dbraw/zinc/52/83/17/459528317.db2.gz DMZBAKMSBAQNKJ-LLVKDONJSA-N 1 1 325.796 3.153 10 5 EGBEMO COc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596167369 459545955 /nfs/dbraw/zinc/54/59/55/459545955.db2.gz CGNCXGBUYWNJLC-YPMHNXCESA-N 1 1 339.823 3.177 10 5 EGBEMO C[N@H+]1C[C@@H]2CCCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000596282628 459582615 /nfs/dbraw/zinc/58/26/15/459582615.db2.gz YTULDOFJQIVVCL-IINYFYTJSA-N 1 1 329.322 3.144 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598474 459692099 /nfs/dbraw/zinc/69/20/99/459692099.db2.gz HKCUHTRPDIQWNR-ZDUSSCGKSA-N 1 1 328.416 3.474 10 5 EGBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598474 459692106 /nfs/dbraw/zinc/69/21/06/459692106.db2.gz HKCUHTRPDIQWNR-ZDUSSCGKSA-N 1 1 328.416 3.474 10 5 EGBEMO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000593020560 459742038 /nfs/dbraw/zinc/74/20/38/459742038.db2.gz OPXDFOZBRWNQKB-VIFPVBQESA-N 1 1 326.278 3.254 10 5 EGBEMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000597211785 459879280 /nfs/dbraw/zinc/87/92/80/459879280.db2.gz OVZNYAPBSHZHLQ-KDOFPFPSSA-N 1 1 328.368 3.323 10 5 EGBEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976204 459897407 /nfs/dbraw/zinc/89/74/07/459897407.db2.gz XOTYTQAZILKYRB-BEFAXECRSA-N 1 1 342.395 3.436 10 5 EGBEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000608976204 459897413 /nfs/dbraw/zinc/89/74/13/459897413.db2.gz XOTYTQAZILKYRB-BEFAXECRSA-N 1 1 342.395 3.436 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593695060 459954608 /nfs/dbraw/zinc/95/46/08/459954608.db2.gz GPHJBTNMGBLNCC-CYBMUJFWSA-N 1 1 334.269 3.427 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593695060 459954609 /nfs/dbraw/zinc/95/46/09/459954609.db2.gz GPHJBTNMGBLNCC-CYBMUJFWSA-N 1 1 334.269 3.427 10 5 EGBEMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602472765 459956258 /nfs/dbraw/zinc/95/62/58/459956258.db2.gz BPZDFZLTLXXSHQ-LBPRGKRZSA-N 1 1 346.305 3.141 10 5 EGBEMO CCOC(=O)c1ncc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000602803645 460134532 /nfs/dbraw/zinc/13/45/32/460134532.db2.gz DVATXEIELSOWNE-AWEZNQCLSA-N 1 1 349.412 3.469 10 5 EGBEMO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000599103667 460162122 /nfs/dbraw/zinc/16/21/22/460162122.db2.gz XQTRYOICTWABBA-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000599103667 460162126 /nfs/dbraw/zinc/16/21/26/460162126.db2.gz XQTRYOICTWABBA-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673550 460305692 /nfs/dbraw/zinc/30/56/92/460305692.db2.gz TYASAOPBHUENOJ-UHFFFAOYSA-N 1 1 347.415 3.198 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599689240 460311963 /nfs/dbraw/zinc/31/19/63/460311963.db2.gz HWJBWUKZARIMGU-VNHAASDWSA-N 1 1 334.416 3.013 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690682 460312046 /nfs/dbraw/zinc/31/20/46/460312046.db2.gz PBRALZUXAWCZGA-XGACYXMMSA-N 1 1 347.415 3.220 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690682 460312054 /nfs/dbraw/zinc/31/20/54/460312054.db2.gz PBRALZUXAWCZGA-XGACYXMMSA-N 1 1 347.415 3.220 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599691025 460312486 /nfs/dbraw/zinc/31/24/86/460312486.db2.gz QEOAIBPUZDWRQS-ABCZVMIZSA-N 1 1 331.416 3.236 10 5 EGBEMO COC[C@@]1(C)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600212616 460443181 /nfs/dbraw/zinc/44/31/81/460443181.db2.gz HDOGHINSOFRBTR-GOSISDBHSA-N 1 1 346.383 3.092 10 5 EGBEMO COC[C@@]1(C)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600212616 460443188 /nfs/dbraw/zinc/44/31/88/460443188.db2.gz HDOGHINSOFRBTR-GOSISDBHSA-N 1 1 346.383 3.092 10 5 EGBEMO C[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611973692 460498402 /nfs/dbraw/zinc/49/84/02/460498402.db2.gz YTDASXFIZXHCIT-NSHDSACASA-N 1 1 343.412 3.303 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000613178525 460853913 /nfs/dbraw/zinc/85/39/13/460853913.db2.gz MQLKAPJOFFRSSH-INIZCTEOSA-N 1 1 327.384 3.063 10 5 EGBEMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000174464546 533891207 /nfs/dbraw/zinc/89/12/07/533891207.db2.gz PSFRLSGSXDZFKO-GHMZBOCLSA-N 1 1 340.811 3.195 10 5 EGBEMO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187770075 528059339 /nfs/dbraw/zinc/05/93/39/528059339.db2.gz CYSRXJVFCKSRTI-ZFWWWQNUSA-N 1 1 333.432 3.273 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000246825692 536168638 /nfs/dbraw/zinc/16/86/38/536168638.db2.gz AJAGKROLLGKJDY-KBPBESRZSA-N 1 1 349.456 3.016 10 5 EGBEMO COc1cccc(C(=O)O[C@@H](C)C[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000870784717 1296079311 /nfs/dbraw/zinc/07/93/11/1296079311.db2.gz JZEOOYSAPOOVAN-QWHCGFSZSA-N 1 1 336.388 3.023 10 5 EGBEMO CSC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000872072835 1296717705 /nfs/dbraw/zinc/71/77/05/1296717705.db2.gz KHJRIBLDGRWFKE-LBPRGKRZSA-N 1 1 341.452 3.212 10 5 EGBEMO CCc1[nH]c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000894370894 1306363263 /nfs/dbraw/zinc/36/32/63/1306363263.db2.gz QWOYEUFAISUAMY-NSHDSACASA-N 1 1 331.372 3.123 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896237236 1309762276 /nfs/dbraw/zinc/76/22/76/1309762276.db2.gz LDFSFPRELFYJGQ-LDCOFTPGSA-N 1 1 328.372 3.179 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(CN(C)C)cs1 ZINC000922489357 1322541057 /nfs/dbraw/zinc/54/10/57/1322541057.db2.gz GQYWDMXKYHUJGP-NTUHNPAUSA-N 1 1 346.456 3.306 10 5 EGBEMO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(OC)n1 ZINC000924950968 1323225781 /nfs/dbraw/zinc/22/57/81/1323225781.db2.gz BBGXMRGJSGSHAM-AWEZNQCLSA-N 1 1 331.372 3.248 10 5 EGBEMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861490323 1329421714 /nfs/dbraw/zinc/42/17/14/1329421714.db2.gz WODQIIZBTDZBRI-HNNXBMFYSA-N 1 1 341.411 3.304 10 5 EGBEMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862436141 1329486835 /nfs/dbraw/zinc/48/68/35/1329486835.db2.gz YDBFNNBMUCYYGT-UHFFFAOYSA-N 1 1 348.712 3.290 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208659 1330078751 /nfs/dbraw/zinc/07/87/51/1330078751.db2.gz WBWZYHCBCXAPHS-PWSUYJOCSA-N 1 1 329.322 3.144 10 5 EGBEMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001191056821 1367413148 /nfs/dbraw/zinc/41/31/48/1367413148.db2.gz HRMBDBPTTDNOMG-OAHLLOKOSA-N 1 1 345.443 3.242 10 5 EGBEMO COc1ccc(C[C@H]2CC[N@H+]2Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001191497343 1367514084 /nfs/dbraw/zinc/51/40/84/1367514084.db2.gz TYUXSTLXHNUYQZ-MRXNPFEDSA-N 1 1 342.395 3.429 10 5 EGBEMO C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001193576146 1368065668 /nfs/dbraw/zinc/06/56/68/1368065668.db2.gz YWERXWQJRGBFRD-NSHDSACASA-N 1 1 325.796 3.451 10 5 EGBEMO C[C@H]1CCCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001193576146 1368065673 /nfs/dbraw/zinc/06/56/73/1368065673.db2.gz YWERXWQJRGBFRD-NSHDSACASA-N 1 1 325.796 3.451 10 5 EGBEMO O=C(C[N@H+]1CC[C@@H](C2CCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195148155 1368388138 /nfs/dbraw/zinc/38/81/38/1368388138.db2.gz RUQQBMNRLUOCIQ-GFCCVEGCSA-N 1 1 337.807 3.309 10 5 EGBEMO Cc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001186413394 1387937850 /nfs/dbraw/zinc/93/78/50/1387937850.db2.gz HMQVEPWGHCDXGG-UHFFFAOYSA-N 1 1 329.375 3.363 10 5 EGBEMO CC1(C)CCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001186681268 1387997765 /nfs/dbraw/zinc/99/77/65/1387997765.db2.gz PECGTUXSEWBBSG-UHFFFAOYSA-N 1 1 329.347 3.483 10 5 EGBEMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC001186905448 1388026827 /nfs/dbraw/zinc/02/68/27/1388026827.db2.gz GEIWPPAECVAVSC-ARFHVFGLSA-N 1 1 340.427 3.478 10 5 EGBEMO CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001325715820 1388033662 /nfs/dbraw/zinc/03/36/62/1388033662.db2.gz IKCYHRIIFRGWFL-CALCHBBNSA-N 1 1 345.443 3.065 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC001117742791 1371072137 /nfs/dbraw/zinc/07/21/37/1371072137.db2.gz YKTSXUNXMHJUBC-YWXMQNBFSA-N 1 1 344.333 3.206 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC001117742791 1371072143 /nfs/dbraw/zinc/07/21/43/1371072143.db2.gz YKTSXUNXMHJUBC-YWXMQNBFSA-N 1 1 344.333 3.206 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001118430970 1371181019 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MFSIWVIHIFFWDT-SJLPKXTDSA-N 1 1 329.375 3.269 10 5 EGBEMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000348225034 456546909 /nfs/dbraw/zinc/54/69/09/456546909.db2.gz LRHPCDHJBARGBO-NVXWUHKLSA-N 1 1 340.427 3.479 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000291718786 456731973 /nfs/dbraw/zinc/73/19/73/456731973.db2.gz IYQYXKGPSQLWGO-QGZVFWFLSA-N 1 1 337.395 3.363 10 5 EGBEMO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000343627605 456754258 /nfs/dbraw/zinc/75/42/58/456754258.db2.gz MGQQXCARQIEYKD-LJQANCHMSA-N 1 1 338.411 3.092 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000349964225 457124806 /nfs/dbraw/zinc/12/48/06/457124806.db2.gz DVZARPBELVVFTJ-SFHVURJKSA-N 1 1 339.395 3.141 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000349964225 457124810 /nfs/dbraw/zinc/12/48/10/457124810.db2.gz DVZARPBELVVFTJ-SFHVURJKSA-N 1 1 339.395 3.141 10 5 EGBEMO COCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339677326 457207678 /nfs/dbraw/zinc/20/76/78/457207678.db2.gz HFPULTGZEDVIMQ-LBPRGKRZSA-N 1 1 347.337 3.136 10 5 EGBEMO COc1cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000352524578 457438131 /nfs/dbraw/zinc/43/81/31/457438131.db2.gz CHJFBMJPVOYMOX-ZDUSSCGKSA-N 1 1 330.384 3.372 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000398012514 457494673 /nfs/dbraw/zinc/49/46/73/457494673.db2.gz DNAXGAIZADQECV-RHSMWYFYSA-N 1 1 326.400 3.312 10 5 EGBEMO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000401189490 457523843 /nfs/dbraw/zinc/52/38/43/457523843.db2.gz QAERMQNYGLQPMJ-AWEZNQCLSA-N 1 1 330.363 3.063 10 5 EGBEMO C[C@H]1C[NH+](Cc2cccc(Nc3ncc([N+](=O)[O-])s3)c2)C[C@H](C)O1 ZINC000443517578 457775941 /nfs/dbraw/zinc/77/59/41/457775941.db2.gz ISZUAKRELDLQBT-RYUDHWBXSA-N 1 1 348.428 3.404 10 5 EGBEMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC(C)(C)C1 ZINC000412040460 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ZINC000593016441 459740721 /nfs/dbraw/zinc/74/07/21/459740721.db2.gz PSUWBYLYIDAPIL-UHFFFAOYSA-N 1 1 344.342 3.299 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000593023328 459743255 /nfs/dbraw/zinc/74/32/55/459743255.db2.gz QBAFFZKRFRIEPD-QGZVFWFLSA-N 1 1 341.367 3.017 10 5 EGBEMO COc1ccccc1[C@H](C[N+](=O)[O-])[C@@H]1CCCC=C1[NH+]1CCOCC1 ZINC000584653845 459778872 /nfs/dbraw/zinc/77/88/72/459778872.db2.gz JKWJLOFTSVQTOO-DOTOQJQBSA-N 1 1 346.427 3.072 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000593189671 459802093 /nfs/dbraw/zinc/80/20/93/459802093.db2.gz XQNDRVXBGGOQLS-WOPDTQHZSA-N 1 1 339.823 3.110 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cnn4c3CCC4)C2)cc1 ZINC000597137348 459850375 /nfs/dbraw/zinc/85/03/75/459850375.db2.gz FWFHKUYCJPSNGM-OAHLLOKOSA-N 1 1 326.400 3.117 10 5 EGBEMO CC1(C)Cc2n[nH]cc2C[N@@H+](CC=Cc2ccccc2[N+](=O)[O-])C1 ZINC000597258985 459898616 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349.394 3.395 10 5 EGBEMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187917001 533770250 /nfs/dbraw/zinc/77/02/50/533770250.db2.gz REEIZEKJCPSAGZ-UGSOOPFHSA-N 1 1 345.399 3.233 10 5 EGBEMO Cc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000190289764 533961860 /nfs/dbraw/zinc/96/18/60/533961860.db2.gz XHGFJOMBZXQZLY-HOTGVXAUSA-N 1 1 332.425 3.173 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872282039 1296893484 /nfs/dbraw/zinc/89/34/84/1296893484.db2.gz ZSVQCRJNWYVGIT-QZTJIDSGSA-N 1 1 334.416 3.052 10 5 EGBEMO COC(=O)[C@]12CCC[C@H]1[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000880182960 1300970221 /nfs/dbraw/zinc/97/02/21/1300970221.db2.gz GYUXRWIHEHLGIB-ZBFHGGJFSA-N 1 1 338.791 3.166 10 5 EGBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000881829013 1301732148 /nfs/dbraw/zinc/73/21/48/1301732148.db2.gz DWYHFBOZIRDDCG-UHFFFAOYSA-N 1 1 333.432 3.354 10 5 EGBEMO 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ZINC000866209728 1330079101 /nfs/dbraw/zinc/07/91/01/1330079101.db2.gz VLPHAIOLZQKIFE-MFKMUULPSA-N 1 1 329.322 3.144 10 5 EGBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001323325643 1387339435 /nfs/dbraw/zinc/33/94/35/1387339435.db2.gz YDCZLAUKGCSKOY-GJZGRUSLSA-N 1 1 347.394 3.116 10 5 EGBEMO CC(C)[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001191056820 1367413244 /nfs/dbraw/zinc/41/32/44/1367413244.db2.gz HRMBDBPTTDNOMG-HNNXBMFYSA-N 1 1 345.443 3.242 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001186772431 1388007619 /nfs/dbraw/zinc/00/76/19/1388007619.db2.gz JVJNYURHQIAZHZ-QAPCUYQASA-N 1 1 341.386 3.445 10 5 EGBEMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(C)[nH+]1 ZINC001127728715 1373169121 /nfs/dbraw/zinc/16/91/21/1373169121.db2.gz WGKQUSOIRLCSAX-UHFFFAOYSA-N 1 1 339.273 3.300 10 5 EGBEMO CC(C)C(=O)NCc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001270054825 1377592808 /nfs/dbraw/zinc/59/28/08/1377592808.db2.gz MKBBRQLZOJCLEP-UHFFFAOYSA-N 1 1 347.440 3.218 10 5 EGBEMO CC[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1)c1cccc([N+](=O)[O-])c1 ZINC001137927972 1377646460 /nfs/dbraw/zinc/64/64/60/1377646460.db2.gz ZFXJDHFZXGGUNR-ZDRJDWQYSA-N 1 1 345.443 3.283 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001144035582 1378673543 /nfs/dbraw/zinc/67/35/43/1378673543.db2.gz OKYCBNHSXSTHGQ-HNNXBMFYSA-N 1 1 333.432 3.014 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001144035583 1378673547 /nfs/dbraw/zinc/67/35/47/1378673547.db2.gz OKYCBNHSXSTHGQ-OAHLLOKOSA-N 1 1 333.432 3.014 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC001327660286 1388574775 /nfs/dbraw/zinc/57/47/75/1388574775.db2.gz GTSJILMXATYYEV-CQSZACIVSA-N 1 1 332.379 3.487 10 5 EGBEMO CC/C=C(/C)C(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001284888002 1380296709 /nfs/dbraw/zinc/29/67/09/1380296709.db2.gz BAZIAAVFUMYGCE-WCSRMQSCSA-N 1 1 343.427 3.199 10 5 EGBEMO CC/C=C(/C)C(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001284888002 1380296711 /nfs/dbraw/zinc/29/67/11/1380296711.db2.gz BAZIAAVFUMYGCE-WCSRMQSCSA-N 1 1 343.427 3.199 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001289678722 1382007859 /nfs/dbraw/zinc/00/78/59/1382007859.db2.gz IWDYQELLAFVWQE-MRXNPFEDSA-N 1 1 347.459 3.012 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001162163088 1382645021 /nfs/dbraw/zinc/64/50/21/1382645021.db2.gz VIBCDNGUVNGRNF-AWEZNQCLSA-N 1 1 349.431 3.448 10 5 EGBEMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@@H+](C)C1CCCCC1 ZINC001162273132 1382718857 /nfs/dbraw/zinc/71/88/57/1382718857.db2.gz MVCMHFPSYLWROK-UHFFFAOYSA-N 1 1 349.357 3.024 10 5 EGBEMO CCC[NH+](CCC)c1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC001163648590 1383095284 /nfs/dbraw/zinc/09/52/84/1383095284.db2.gz KZNHFMHNTJVHTJ-UHFFFAOYSA-N 1 1 330.392 3.337 10 5 EGBEMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001298190598 1383380291 /nfs/dbraw/zinc/38/02/91/1383380291.db2.gz AATRLKGAVMMAAJ-SUMWQHHRSA-N 1 1 346.431 3.371 10 5 EGBEMO Cc1ccc(C[C@@]2(C)CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001307971671 1384066480 /nfs/dbraw/zinc/06/64/80/1384066480.db2.gz CVPDYLXFHHOBIX-GOSISDBHSA-N 1 1 328.416 3.197 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001308159927 1384102783 /nfs/dbraw/zinc/10/27/83/1384102783.db2.gz LTWQHSNMAQISAH-ROUUACIJSA-N 1 1 334.416 3.397 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001308167981 1384104575 /nfs/dbraw/zinc/10/45/75/1384104575.db2.gz ARXOOLFKMPAWQI-HNNXBMFYSA-N 1 1 337.376 3.140 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC001308167981 1384104576 /nfs/dbraw/zinc/10/45/76/1384104576.db2.gz ARXOOLFKMPAWQI-HNNXBMFYSA-N 1 1 337.376 3.140 10 5 EGBEMO COC(=O)[C@]12C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C[C@H]1CCCC2 ZINC001171607850 1384578720 /nfs/dbraw/zinc/57/87/20/1384578720.db2.gz KHTVCHPTPPWCQJ-CRAIPNDOSA-N 1 1 332.400 3.068 10 5 EGBEMO CCc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001317469327 1385163072 /nfs/dbraw/zinc/16/30/72/1385163072.db2.gz LVDIUFLCAXNLGH-UHFFFAOYSA-N 1 1 341.411 3.019 10 5 EGBEMO CCc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001317469327 1385163074 /nfs/dbraw/zinc/16/30/74/1385163074.db2.gz LVDIUFLCAXNLGH-UHFFFAOYSA-N 1 1 341.411 3.019 10 5 EGBEMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001320080692 1386497851 /nfs/dbraw/zinc/49/78/51/1386497851.db2.gz KKPIVQNWZKEJOM-LIRRHRJNSA-N 1 1 344.411 3.200 10 5 EGBEMO Cc1cc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC001320082995 1386499988 /nfs/dbraw/zinc/49/99/88/1386499988.db2.gz RDXKBEGDGLJCJO-UHFFFAOYSA-N 1 1 342.399 3.173 10 5 EGBEMO CC(=O)c1cc(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001336804143 1389172488 /nfs/dbraw/zinc/17/24/88/1389172488.db2.gz CADXIZHIGRJPHB-KDURUIRLSA-N 1 1 343.427 3.110 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1(C)CC=CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479853283 1392433430 /nfs/dbraw/zinc/43/34/30/1392433430.db2.gz IHCUDYLNMKIXKQ-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CCc1occc1C(=O)NCC[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC001480972432 1393058466 /nfs/dbraw/zinc/05/84/66/1393058466.db2.gz NAKUPTGASHZZGP-UHFFFAOYSA-N 1 1 345.399 3.002 10 5 EGBEMO CCc1occc1C(=O)NCC[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC001480972432 1393058471 /nfs/dbraw/zinc/05/84/71/1393058471.db2.gz NAKUPTGASHZZGP-UHFFFAOYSA-N 1 1 345.399 3.002 10 5 EGBEMO CC1(C(=O)NCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC=CC1 ZINC001481184536 1393144327 /nfs/dbraw/zinc/14/43/27/1393144327.db2.gz JVQFDGWWPSKYBK-UHFFFAOYSA-N 1 1 343.427 3.032 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1CCCCCC1 ZINC001698984255 1406763951 /nfs/dbraw/zinc/76/39/51/1406763951.db2.gz YFOLNWWMQOUMME-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1CCCCCC1 ZINC001698984255 1406763955 /nfs/dbraw/zinc/76/39/55/1406763955.db2.gz YFOLNWWMQOUMME-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CC[N@@H+](CCNC(=O)/C=C/C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691011879 1404926674 /nfs/dbraw/zinc/92/66/74/1404926674.db2.gz KXUJFHJQNILQFW-ZHACJKMWSA-N 1 1 333.432 3.135 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1(C)CCCC1 ZINC001715513772 1420198519 /nfs/dbraw/zinc/19/85/19/1420198519.db2.gz ACYWLYWMTXZKIU-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000368315428 168341574 /nfs/dbraw/zinc/34/15/74/168341574.db2.gz JQRNRYDEQRGBGB-CCEZHUSRSA-N 1 1 343.427 3.085 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803202 204161392 /nfs/dbraw/zinc/16/13/92/204161392.db2.gz OZMHSMRKUCHEEV-WMLDXEAASA-N 1 1 341.415 3.047 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120035896 204702745 /nfs/dbraw/zinc/70/27/45/204702745.db2.gz NFYNJXZSEYDHNC-LSDHHAIUSA-N 1 1 346.431 3.302 10 5 EGBEMO CC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000366597001 141517554 /nfs/dbraw/zinc/51/75/54/141517554.db2.gz UAFUMCIIGOTQMO-YXJHDRRASA-N 1 1 334.416 3.234 10 5 EGBEMO Cc1c(C[N@H+]2CCCN(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000183799629 144079803 /nfs/dbraw/zinc/07/98/03/144079803.db2.gz BWNFETYNLZDMNG-UHFFFAOYSA-N 1 1 326.400 3.011 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000193835080 153309479 /nfs/dbraw/zinc/30/94/79/153309479.db2.gz RUQBVQKXIFUUEK-HNNXBMFYSA-N 1 1 342.355 3.189 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000193835080 153309480 /nfs/dbraw/zinc/30/94/80/153309480.db2.gz RUQBVQKXIFUUEK-HNNXBMFYSA-N 1 1 342.355 3.189 10 5 EGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195340536 153396628 /nfs/dbraw/zinc/39/66/28/153396628.db2.gz SWPNRWQLHVISHB-CYBMUJFWSA-N 1 1 333.413 3.310 10 5 EGBEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337455396 154360669 /nfs/dbraw/zinc/36/06/69/154360669.db2.gz HKJGKQAZEDLUCO-GHMZBOCLSA-N 1 1 345.321 3.196 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000126107648 162293918 /nfs/dbraw/zinc/29/39/18/162293918.db2.gz GNFVFTPUMRXWHV-ZDUSSCGKSA-N 1 1 330.384 3.372 10 5 EGBEMO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000261764166 274713017 /nfs/dbraw/zinc/71/30/17/274713017.db2.gz WCYXJXTXRJJCPN-APHBMKBZSA-N 1 1 326.400 3.015 10 5 EGBEMO C[N@H+]1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000289459007 276342377 /nfs/dbraw/zinc/34/23/77/276342377.db2.gz VSHVIACDZVNEIH-ROUUACIJSA-N 1 1 347.365 3.408 10 5 EGBEMO CN1CC[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000289459007 276342378 /nfs/dbraw/zinc/34/23/78/276342378.db2.gz VSHVIACDZVNEIH-ROUUACIJSA-N 1 1 347.365 3.408 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289681518 276377243 /nfs/dbraw/zinc/37/72/43/276377243.db2.gz NXZDIKQORXBADV-CQSZACIVSA-N 1 1 332.322 3.183 10 5 EGBEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291727394 276682627 /nfs/dbraw/zinc/68/26/27/276682627.db2.gz MFWNHAOAXWYOLY-IUCAKERBSA-N 1 1 346.214 3.066 10 5 EGBEMO C[N@H+]1CCCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000375548989 277048361 /nfs/dbraw/zinc/04/83/61/277048361.db2.gz OGUUSVFYHRIWMT-UHFFFAOYSA-N 1 1 334.420 3.062 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C\CN1CCC(C[NH+]2CCCC2)CC1 ZINC000255771127 308059670 /nfs/dbraw/zinc/05/96/70/308059670.db2.gz KFMXJTCFBPFIGK-ALCCZGGFSA-N 1 1 329.444 3.416 10 5 EGBEMO COc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245471 308113462 /nfs/dbraw/zinc/11/34/62/308113462.db2.gz BGIWPGRNDSUNFB-VHSXEESVSA-N 1 1 330.331 3.088 10 5 EGBEMO COc1cc(C[N@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000293245471 308113464 /nfs/dbraw/zinc/11/34/64/308113464.db2.gz BGIWPGRNDSUNFB-VHSXEESVSA-N 1 1 330.331 3.088 10 5 EGBEMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449422001 310060557 /nfs/dbraw/zinc/06/05/57/310060557.db2.gz MHSGEYAKJBEUSZ-YOEHRIQHSA-N 1 1 330.384 3.448 10 5 EGBEMO COc1cc(C[N@@H+]2CC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449426290 310060977 /nfs/dbraw/zinc/06/09/77/310060977.db2.gz KQUWHZJLDAAYIV-LBPRGKRZSA-N 1 1 342.342 3.232 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449426290 310060978 /nfs/dbraw/zinc/06/09/78/310060978.db2.gz KQUWHZJLDAAYIV-LBPRGKRZSA-N 1 1 342.342 3.232 10 5 EGBEMO COc1cc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000449447865 310062849 /nfs/dbraw/zinc/06/28/49/310062849.db2.gz CHYMJBLBDNYPKF-JUIVLLAYSA-N 1 1 344.411 3.256 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000449661709 310078455 /nfs/dbraw/zinc/07/84/55/310078455.db2.gz CXLHPTRDSKJAMI-LBPRGKRZSA-N 1 1 345.365 3.219 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000449661709 310078456 /nfs/dbraw/zinc/07/84/56/310078456.db2.gz CXLHPTRDSKJAMI-LBPRGKRZSA-N 1 1 345.365 3.219 10 5 EGBEMO CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000488410769 311063992 /nfs/dbraw/zinc/06/39/92/311063992.db2.gz LYQFUKIPEJTBJW-JKSUJKDBSA-N 1 1 336.432 3.235 10 5 EGBEMO CC(C)([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000492398929 311245936 /nfs/dbraw/zinc/24/59/36/311245936.db2.gz NPLORTPSIXYCPI-UHFFFAOYSA-N 1 1 337.383 3.405 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000512210372 312179105 /nfs/dbraw/zinc/17/91/05/312179105.db2.gz CRSONHWMHALLIB-ZDUSSCGKSA-N 1 1 335.404 3.197 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000512210372 312179108 /nfs/dbraw/zinc/17/91/08/312179108.db2.gz CRSONHWMHALLIB-ZDUSSCGKSA-N 1 1 335.404 3.197 10 5 EGBEMO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000540425697 314379827 /nfs/dbraw/zinc/37/98/27/314379827.db2.gz CAQOIMGYIMNUKM-LBPRGKRZSA-N 1 1 347.802 3.215 10 5 EGBEMO CN1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]2CCC[C@@H]21 ZINC000580494141 325256154 /nfs/dbraw/zinc/25/61/54/325256154.db2.gz ZCDNUKQNNGYXLE-MNEFBYGVSA-N 1 1 342.443 3.081 10 5 EGBEMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183228871 455255949 /nfs/dbraw/zinc/25/59/49/455255949.db2.gz BTLKOANLCZUWDC-UHFFFAOYSA-N 1 1 342.395 3.479 10 5 EGBEMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000183228871 455255952 /nfs/dbraw/zinc/25/59/52/455255952.db2.gz BTLKOANLCZUWDC-UHFFFAOYSA-N 1 1 342.395 3.479 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000181884632 455394247 /nfs/dbraw/zinc/39/42/47/455394247.db2.gz JBYBGKVHQQZZLY-APWZRJJASA-N 1 1 346.427 3.157 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000078333003 454233783 /nfs/dbraw/zinc/23/37/83/454233783.db2.gz XLVNDQNDLGWRHR-CJNGLKHVSA-N 1 1 328.416 3.310 10 5 EGBEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511732 454314128 /nfs/dbraw/zinc/31/41/28/454314128.db2.gz NNMSMVMAFSYQGG-LBPRGKRZSA-N 1 1 335.791 3.103 10 5 EGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000122870845 454576900 /nfs/dbraw/zinc/57/69/00/454576900.db2.gz KHXSOCWBKHYKOI-INIZCTEOSA-N 1 1 328.416 3.499 10 5 EGBEMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050478 454606692 /nfs/dbraw/zinc/60/66/92/454606692.db2.gz COKCLKNUFBKODL-TZMCWYRMSA-N 1 1 339.461 3.173 10 5 EGBEMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050478 454606697 /nfs/dbraw/zinc/60/66/97/454606697.db2.gz COKCLKNUFBKODL-TZMCWYRMSA-N 1 1 339.461 3.173 10 5 EGBEMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286652 454724006 /nfs/dbraw/zinc/72/40/06/454724006.db2.gz MZBSOHTYFLRTAT-ZFWWWQNUSA-N 1 1 332.404 3.420 10 5 EGBEMO Cc1sc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000124485733 454739686 /nfs/dbraw/zinc/73/96/86/454739686.db2.gz DESZKVCMUQCOIO-CYBMUJFWSA-N 1 1 339.461 3.063 10 5 EGBEMO Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170625612 454944705 /nfs/dbraw/zinc/94/47/05/454944705.db2.gz QZLOCVMEZRESGY-OAHLLOKOSA-N 1 1 341.415 3.255 10 5 EGBEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000155487779 455007901 /nfs/dbraw/zinc/00/79/01/455007901.db2.gz QKWKLSGUMQJZIL-STQMWFEESA-N 1 1 333.432 3.057 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000128588906 455070297 /nfs/dbraw/zinc/07/02/97/455070297.db2.gz MWVYXGQUQITGLU-MRXNPFEDSA-N 1 1 343.431 3.222 10 5 EGBEMO Cc1c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000171641889 455082068 /nfs/dbraw/zinc/08/20/68/455082068.db2.gz GBPOHENYYJFVHS-OAHLLOKOSA-N 1 1 326.400 3.232 10 5 EGBEMO Cc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000156890606 455155571 /nfs/dbraw/zinc/15/55/71/455155571.db2.gz KKWIYJOBGZFMFF-OAHLLOKOSA-N 1 1 341.411 3.405 10 5 EGBEMO Cc1cc(N2CCC[N@@H+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181496618 455344608 /nfs/dbraw/zinc/34/46/08/455344608.db2.gz PRZZWIHCOGHZQH-UHFFFAOYSA-N 1 1 326.400 3.126 10 5 EGBEMO Cc1cc(N2CCC[N@H+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181496618 455344612 /nfs/dbraw/zinc/34/46/12/455344612.db2.gz PRZZWIHCOGHZQH-UHFFFAOYSA-N 1 1 326.400 3.126 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181536977 455351142 /nfs/dbraw/zinc/35/11/42/455351142.db2.gz SDRMWWMAAHVPDQ-LSDHHAIUSA-N 1 1 345.443 3.286 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161286688 455556012 /nfs/dbraw/zinc/55/60/12/455556012.db2.gz MPSWSLDLLYTFDK-YGRLFVJLSA-N 1 1 332.322 3.291 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277729253 455648106 /nfs/dbraw/zinc/64/81/06/455648106.db2.gz GWHUAEBUJFTIOK-CQSZACIVSA-N 1 1 349.434 3.308 10 5 EGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000192739854 455682876 /nfs/dbraw/zinc/68/28/76/455682876.db2.gz JDZNEQQQGDJCJP-INIZCTEOSA-N 1 1 337.383 3.317 10 5 EGBEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192947815 455723709 /nfs/dbraw/zinc/72/37/09/455723709.db2.gz RVEQYQNCBZJIBL-CVEARBPZSA-N 1 1 341.415 3.251 10 5 EGBEMO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000249441265 455755640 /nfs/dbraw/zinc/75/56/40/455755640.db2.gz KBBJSCNPLNGMBP-JKSUJKDBSA-N 1 1 333.413 3.230 10 5 EGBEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000249441265 455755646 /nfs/dbraw/zinc/75/56/46/455755646.db2.gz KBBJSCNPLNGMBP-JKSUJKDBSA-N 1 1 333.413 3.230 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285790958 455917212 /nfs/dbraw/zinc/91/72/12/455917212.db2.gz XUUWFIKHPOLVFY-BDJLRTHQSA-N 1 1 327.375 3.035 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301669404 456180366 /nfs/dbraw/zinc/18/03/66/456180366.db2.gz DRGUMHVBPYTUCR-SNVBAGLBSA-N 1 1 343.225 3.039 10 5 EGBEMO Cc1cc(N2CC[N@H+]3CCCC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302037372 456273201 /nfs/dbraw/zinc/27/32/01/456273201.db2.gz VEMUZXOXHFFXNE-AWEZNQCLSA-N 1 1 326.400 3.126 10 5 EGBEMO Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ncc1[N+](=O)[O-] ZINC000281917808 456360598 /nfs/dbraw/zinc/36/05/98/456360598.db2.gz NVQYUIZEWWXCBQ-AWEZNQCLSA-N 1 1 341.415 3.215 10 5 EGBEMO CCOc1cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850084 456598393 /nfs/dbraw/zinc/59/83/93/456598393.db2.gz DNBUMOUWGHKKKC-HOCLYGCPSA-N 1 1 335.448 3.156 10 5 EGBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnn1-c1ccccc1 ZINC000338956445 456876090 /nfs/dbraw/zinc/87/60/90/456876090.db2.gz SUULVORVCLLHLV-UHFFFAOYSA-N 1 1 336.395 3.455 10 5 EGBEMO COC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342339200 457244474 /nfs/dbraw/zinc/24/44/74/457244474.db2.gz HHOKGQCIDNEBOO-HNNXBMFYSA-N 1 1 334.347 3.220 10 5 EGBEMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000425280169 457481278 /nfs/dbraw/zinc/48/12/78/457481278.db2.gz HGLOAEUBGGBDCL-IINYFYTJSA-N 1 1 329.322 3.144 10 5 EGBEMO CC[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000361044652 457538145 /nfs/dbraw/zinc/53/81/45/457538145.db2.gz VATMUZPYNXVVCI-INIZCTEOSA-N 1 1 326.400 3.091 10 5 EGBEMO CC(C)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000425450156 457558726 /nfs/dbraw/zinc/55/87/26/457558726.db2.gz UTBKJNCRJSRTIU-CYBMUJFWSA-N 1 1 343.221 3.357 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)ccc1Cl ZINC000361958404 457978553 /nfs/dbraw/zinc/97/85/53/457978553.db2.gz YRMPTXCIWZPKHA-CYBMUJFWSA-N 1 1 332.791 3.418 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)ccc1Cl ZINC000361958404 457978560 /nfs/dbraw/zinc/97/85/60/457978560.db2.gz YRMPTXCIWZPKHA-CYBMUJFWSA-N 1 1 332.791 3.418 10 5 EGBEMO Cc1cnc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000428245911 458107134 /nfs/dbraw/zinc/10/71/34/458107134.db2.gz XMJIIHSKNOEJRQ-CQSZACIVSA-N 1 1 342.399 3.298 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000430214509 458422731 /nfs/dbraw/zinc/42/27/31/458422731.db2.gz ZRHVEYOTAYTAJP-INIZCTEOSA-N 1 1 332.404 3.214 10 5 EGBEMO Cc1ccnc([C@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000519619624 458974682 /nfs/dbraw/zinc/97/46/82/458974682.db2.gz ZXLSBHWTAHLLKY-HNNXBMFYSA-N 1 1 327.384 3.167 10 5 EGBEMO CN1C[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000590053201 459073426 /nfs/dbraw/zinc/07/34/26/459073426.db2.gz YGMMLOQUHDYHJU-CXAGYDPISA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@@H+]1C[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000590053201 459073431 /nfs/dbraw/zinc/07/34/31/459073431.db2.gz YGMMLOQUHDYHJU-CXAGYDPISA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@H+]1C[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000590053201 459073434 /nfs/dbraw/zinc/07/34/34/459073434.db2.gz YGMMLOQUHDYHJU-CXAGYDPISA-N 1 1 343.452 3.459 10 5 EGBEMO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594959285 459193569 /nfs/dbraw/zinc/19/35/69/459193569.db2.gz BECHHHABMWPHCR-ZDUSSCGKSA-N 1 1 343.374 3.159 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594959285 459193572 /nfs/dbraw/zinc/19/35/72/459193572.db2.gz BECHHHABMWPHCR-ZDUSSCGKSA-N 1 1 343.374 3.159 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000533433337 459235088 /nfs/dbraw/zinc/23/50/88/459235088.db2.gz UBRWCVORTIKNCV-UHFFFAOYSA-N 1 1 331.416 3.498 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000595078492 459240054 /nfs/dbraw/zinc/24/00/54/459240054.db2.gz CQLKLNXVTBSSAY-UKRRQHHQSA-N 1 1 336.342 3.053 10 5 EGBEMO CC[C@H]([NH2+]CCc1nc(C)c(C(C)=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000595422375 459296231 /nfs/dbraw/zinc/29/62/31/459296231.db2.gz WWDLPMZMVQTKNF-HNNXBMFYSA-N 1 1 330.388 3.112 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000595733892 459419056 /nfs/dbraw/zinc/41/90/56/459419056.db2.gz JTCYNXDYNAFOLO-BBWFWOEESA-N 1 1 332.400 3.149 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595828177 459455933 /nfs/dbraw/zinc/45/59/33/459455933.db2.gz VCYDOYABTWDZEV-PWSUYJOCSA-N 1 1 330.306 3.082 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000485697336 459465441 /nfs/dbraw/zinc/46/54/41/459465441.db2.gz PSPPTEYIAOPKTD-GOSISDBHSA-N 1 1 328.368 3.466 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000485697336 459465443 /nfs/dbraw/zinc/46/54/43/459465443.db2.gz PSPPTEYIAOPKTD-GOSISDBHSA-N 1 1 328.368 3.466 10 5 EGBEMO COc1ccc(-c2ccc(CNCC[C@@H]([NH3+])C(C)C)o2)c([N+](=O)[O-])c1 ZINC000596111654 459525661 /nfs/dbraw/zinc/52/56/61/459525661.db2.gz ZSVISLKYTXQLJF-MRXNPFEDSA-N 1 1 347.415 3.326 10 5 EGBEMO CCOC(=O)c1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596307620 459591413 /nfs/dbraw/zinc/59/14/13/459591413.db2.gz NMKBVPLMLCLQEF-CYBMUJFWSA-N 1 1 335.404 3.056 10 5 EGBEMO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000562697065 459625474 /nfs/dbraw/zinc/62/54/74/459625474.db2.gz XBXSURACEQRKPN-KUHUBIRLSA-N 1 1 326.396 3.118 10 5 EGBEMO CC[C@H](NC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451758 459641673 /nfs/dbraw/zinc/64/16/73/459641673.db2.gz ARMFQOINDCSRCB-SJORKVTESA-N 1 1 348.447 3.172 10 5 EGBEMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000592799253 459692908 /nfs/dbraw/zinc/69/29/08/459692908.db2.gz ZWFSPZCZWWHBCY-CQSZACIVSA-N 1 1 344.415 3.006 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000596836206 459774360 /nfs/dbraw/zinc/77/43/60/459774360.db2.gz FKXAXDURLXFYNS-UHFFFAOYSA-N 1 1 336.436 3.454 10 5 EGBEMO CCN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000596899680 459790564 /nfs/dbraw/zinc/79/05/64/459790564.db2.gz QIFALECZKQHWQQ-AWEZNQCLSA-N 1 1 348.447 3.450 10 5 EGBEMO Cn1ncc(C(F)(F)F)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000597121515 459842132 /nfs/dbraw/zinc/84/21/32/459842132.db2.gz OYZMDEQJIAEURC-UHFFFAOYSA-N 1 1 342.321 3.022 10 5 EGBEMO Cn1ncc(C(F)(F)F)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000597121515 459842137 /nfs/dbraw/zinc/84/21/37/459842137.db2.gz OYZMDEQJIAEURC-UHFFFAOYSA-N 1 1 342.321 3.022 10 5 EGBEMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000597195743 459871228 /nfs/dbraw/zinc/87/12/28/459871228.db2.gz OBPJAIBRLFDDMG-IYBDPMFKSA-N 1 1 342.342 3.055 10 5 EGBEMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000597195743 459871235 /nfs/dbraw/zinc/87/12/35/459871235.db2.gz OBPJAIBRLFDDMG-IYBDPMFKSA-N 1 1 342.342 3.055 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598466556 459904735 /nfs/dbraw/zinc/90/47/35/459904735.db2.gz PKNRAXPRXAPGDM-UHFFFAOYSA-N 1 1 327.812 3.098 10 5 EGBEMO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501610 460095455 /nfs/dbraw/zinc/09/54/55/460095455.db2.gz RSQKYTCHPMYJDZ-GFCCVEGCSA-N 1 1 340.445 3.345 10 5 EGBEMO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000602802651 460134731 /nfs/dbraw/zinc/13/47/31/460134731.db2.gz SLHXLVMVKJDKTP-MRVPVSSYSA-N 1 1 329.187 3.486 10 5 EGBEMO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599062520 460147181 /nfs/dbraw/zinc/14/71/81/460147181.db2.gz XWRBZRYXCNFCLO-VIFPVBQESA-N 1 1 328.294 3.198 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599073107 460152863 /nfs/dbraw/zinc/15/28/63/460152863.db2.gz DUVBJVLFWUVXDZ-BBRMVZONSA-N 1 1 333.432 3.271 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599073107 460152865 /nfs/dbraw/zinc/15/28/65/460152865.db2.gz DUVBJVLFWUVXDZ-BBRMVZONSA-N 1 1 333.432 3.271 10 5 EGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179453 460302731 /nfs/dbraw/zinc/30/27/31/460302731.db2.gz CORXUFZLPKQOBT-ONGXEEELSA-N 1 1 338.314 3.293 10 5 EGBEMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179453 460302735 /nfs/dbraw/zinc/30/27/35/460302735.db2.gz CORXUFZLPKQOBT-ONGXEEELSA-N 1 1 338.314 3.293 10 5 EGBEMO COc1ccc([C@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1F ZINC000599675032 460305729 /nfs/dbraw/zinc/30/57/29/460305729.db2.gz HIVSSXMZSVUZRW-LBPRGKRZSA-N 1 1 335.335 3.028 10 5 EGBEMO COc1ccc([C@H]2CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1F ZINC000599675032 460305730 /nfs/dbraw/zinc/30/57/30/460305730.db2.gz HIVSSXMZSVUZRW-LBPRGKRZSA-N 1 1 335.335 3.028 10 5 EGBEMO Cc1ccc(OCC[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603842090 460347078 /nfs/dbraw/zinc/34/70/78/460347078.db2.gz GHIQMFQJBUHDMJ-UHFFFAOYSA-N 1 1 330.384 3.293 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000611712917 460436386 /nfs/dbraw/zinc/43/63/86/460436386.db2.gz STBUTAOKNHBKRS-MSOLQXFVSA-N 1 1 349.394 3.395 10 5 EGBEMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600469447 460500669 /nfs/dbraw/zinc/50/06/69/460500669.db2.gz BFLUKWVTKIOYRE-KRWDZBQOSA-N 1 1 345.443 3.006 10 5 EGBEMO CC[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)CC[N@H+]1C ZINC000601617139 460847929 /nfs/dbraw/zinc/84/79/29/460847929.db2.gz HLNKJOSRUKDAPA-XJKSGUPXSA-N 1 1 334.420 3.084 10 5 EGBEMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000735221504 575618398 /nfs/dbraw/zinc/61/83/98/575618398.db2.gz PQNIVYYZKJIVJY-HNNXBMFYSA-N 1 1 344.342 3.165 10 5 EGBEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000744429726 576827997 /nfs/dbraw/zinc/82/79/97/576827997.db2.gz ZZCIOFBFYFNTDK-GHMZBOCLSA-N 1 1 325.796 3.307 10 5 EGBEMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCC1(C)C ZINC000871159084 1296248364 /nfs/dbraw/zinc/24/83/64/1296248364.db2.gz MSLKRWMUHXIZQH-UHFFFAOYSA-N 1 1 341.411 3.304 10 5 EGBEMO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024867 1296669147 /nfs/dbraw/zinc/66/91/47/1296669147.db2.gz WSJOIDZAHKQYDZ-GFCCVEGCSA-N 1 1 337.395 3.224 10 5 EGBEMO C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000872067799 1296714847 /nfs/dbraw/zinc/71/48/47/1296714847.db2.gz CKVLGDPTABGNIP-QWRGUYRKSA-N 1 1 341.383 3.298 10 5 EGBEMO C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086696 1296725891 /nfs/dbraw/zinc/72/58/91/1296725891.db2.gz YGFWZOXVAFXDBW-IUPBHXKESA-N 1 1 330.306 3.199 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC000872236972 1296836575 /nfs/dbraw/zinc/83/65/75/1296836575.db2.gz XZVVDFRPFWKQLR-OALUTQOASA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC000872236972 1296836595 /nfs/dbraw/zinc/83/65/95/1296836595.db2.gz XZVVDFRPFWKQLR-OALUTQOASA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000895842878 1309551167 /nfs/dbraw/zinc/55/11/67/1309551167.db2.gz GGTHPKDNSCMSPU-SMDDNHRTSA-N 1 1 342.342 3.197 10 5 EGBEMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nc1 ZINC000858012328 1328658508 /nfs/dbraw/zinc/65/85/08/1328658508.db2.gz ZSJSDFHGXDXDML-MRXNPFEDSA-N 1 1 327.384 3.260 10 5 EGBEMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000858517180 1328785878 /nfs/dbraw/zinc/78/58/78/1328785878.db2.gz OWKZOIQUKFIAJF-AWEZNQCLSA-N 1 1 337.383 3.261 10 5 EGBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930353053 1328840264 /nfs/dbraw/zinc/84/02/64/1328840264.db2.gz FMGAWARORHBYOC-KBPBESRZSA-N 1 1 332.322 3.179 10 5 EGBEMO COC(=O)/C=C/c1ccc(NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000917069168 1319746874 /nfs/dbraw/zinc/74/68/74/1319746874.db2.gz OHMUJZBOMAPQDB-RCQQVGEISA-N 1 1 347.415 3.067 10 5 EGBEMO Cc1[nH]c(CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c(C)[nH+]1 ZINC000930723480 1328950386 /nfs/dbraw/zinc/95/03/86/1328950386.db2.gz MIOKTQIDRVAOPM-ZDUSSCGKSA-N 1 1 346.284 3.467 10 5 EGBEMO C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000927031252 1327825707 /nfs/dbraw/zinc/82/57/07/1327825707.db2.gz WVBPJNHJUVZVOA-XPKDYRNWSA-N 1 1 346.456 3.291 10 5 EGBEMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861915232 1329450131 /nfs/dbraw/zinc/45/01/31/1329450131.db2.gz DQIWGFMKHDYEKF-OAHLLOKOSA-N 1 1 341.411 3.304 10 5 EGBEMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(F)cc1F ZINC001190605875 1367306343 /nfs/dbraw/zinc/30/63/43/1367306343.db2.gz QAALSJHRJAZSFK-UHFFFAOYSA-N 1 1 338.358 3.290 10 5 EGBEMO C[C@@H]1CCC[C@H]([N@@H+](CC[N+](=O)[O-])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001190682911 1367327425 /nfs/dbraw/zinc/32/74/25/1367327425.db2.gz PXDYWABPXUXTQB-FMKPAKJESA-N 1 1 334.416 3.319 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001196851915 1368698866 /nfs/dbraw/zinc/69/88/66/1368698866.db2.gz WHTGETHMVQTPST-GDIGMMSISA-N 1 1 342.395 3.088 10 5 EGBEMO CCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001198429890 1369030450 /nfs/dbraw/zinc/03/04/50/1369030450.db2.gz OLWJNIDZJRVEGW-LBPRGKRZSA-N 1 1 325.796 3.451 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001198821538 1369121837 /nfs/dbraw/zinc/12/18/37/1369121837.db2.gz SQEFZPMJWKRLMD-LZQZEXGQSA-N 1 1 329.444 3.464 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@H]1CCOC1)[C@H]1CC[C@H](O)CC1 ZINC001326014071 1388101152 /nfs/dbraw/zinc/10/11/52/1388101152.db2.gz QJNUHWXJXHRMRE-SZMVWBNQSA-N 1 1 348.443 3.127 10 5 EGBEMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001162475985 1382768467 /nfs/dbraw/zinc/76/84/67/1382768467.db2.gz JLUVYQUXUBAGDZ-CQSZACIVSA-N 1 1 349.431 3.366 10 5 EGBEMO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)cc1C ZINC001163426862 1383049528 /nfs/dbraw/zinc/04/95/28/1383049528.db2.gz GOTIJKOMGRGWKX-ZDUSSCGKSA-N 1 1 337.420 3.221 10 5 EGBEMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001163682063 1383104674 /nfs/dbraw/zinc/10/46/74/1383104674.db2.gz YRBKQQYJYQUKPA-QGZVFWFLSA-N 1 1 325.412 3.348 10 5 EGBEMO CC(C)C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001167898451 1383767261 /nfs/dbraw/zinc/76/72/61/1383767261.db2.gz ODMBTLYCPQARCH-MRXNPFEDSA-N 1 1 345.443 3.385 10 5 EGBEMO CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778536 1384030423 /nfs/dbraw/zinc/03/04/23/1384030423.db2.gz GBJMMNYQIHBTKZ-LXZKKBNFSA-N 1 1 334.416 3.362 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC001307950889 1384061975 /nfs/dbraw/zinc/06/19/75/1384061975.db2.gz AADFCKUAALLFFC-IRXDYDNUSA-N 1 1 348.443 3.379 10 5 EGBEMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001307947472 1384062487 /nfs/dbraw/zinc/06/24/87/1384062487.db2.gz RJRZEDIJUAWASC-VGPLMAKISA-N 1 1 337.807 3.450 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC001307962703 1384065012 /nfs/dbraw/zinc/06/50/12/1384065012.db2.gz NNACWVKJQOZOQJ-SNVBAGLBSA-N 1 1 325.796 3.165 10 5 EGBEMO O=C(CC[NH2+][C@@H](CF)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC001308018148 1384075542 /nfs/dbraw/zinc/07/55/42/1384075542.db2.gz ATQCNZAYDDDJLD-INIZCTEOSA-N 1 1 349.337 3.363 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ncccn3)CC2)ccc1Cl ZINC001308090222 1384090378 /nfs/dbraw/zinc/09/03/78/1384090378.db2.gz IJGFKPOTJYXKKZ-UHFFFAOYSA-N 1 1 332.791 3.418 10 5 EGBEMO Cn1cc(C[N@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)c([N+](=O)[O-])n1 ZINC001170862126 1384400945 /nfs/dbraw/zinc/40/09/45/1384400945.db2.gz QHZZWDVDAHNMBG-HZPDHXFCSA-N 1 1 344.415 3.006 10 5 EGBEMO Cn1cc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)c([N+](=O)[O-])n1 ZINC001170862126 1384400947 /nfs/dbraw/zinc/40/09/47/1384400947.db2.gz QHZZWDVDAHNMBG-HZPDHXFCSA-N 1 1 344.415 3.006 10 5 EGBEMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001171267295 1384481965 /nfs/dbraw/zinc/48/19/65/1384481965.db2.gz OCKLEUMKOUXWOS-GOEBONIOSA-N 1 1 348.443 3.437 10 5 EGBEMO CC(C)=C(C)CC(=O)NCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001316841981 1384631440 /nfs/dbraw/zinc/63/14/40/1384631440.db2.gz SHDYJBYNOVCQLX-UHFFFAOYSA-N 1 1 339.461 3.341 10 5 EGBEMO CC(C)=C(C)CC(=O)NCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001316841981 1384631441 /nfs/dbraw/zinc/63/14/41/1384631441.db2.gz SHDYJBYNOVCQLX-UHFFFAOYSA-N 1 1 339.461 3.341 10 5 EGBEMO O=C(NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCCCC1 ZINC001317545674 1385293087 /nfs/dbraw/zinc/29/30/87/1385293087.db2.gz VDZWZPPLOVVKPM-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C(C)(C)C1 ZINC001178861362 1386332274 /nfs/dbraw/zinc/33/22/74/1386332274.db2.gz WGTJVWMCDJKYMB-AWEZNQCLSA-N 1 1 339.823 3.017 10 5 EGBEMO CC(C)CNC(=O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001319914676 1386387103 /nfs/dbraw/zinc/38/71/03/1386387103.db2.gz ZJMNZDZVDPNLLF-IBGZPJMESA-N 1 1 341.411 3.046 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC=CC1 ZINC001332693308 1390155526 /nfs/dbraw/zinc/15/55/26/1390155526.db2.gz OGFMXOFLXZOGRQ-UHFFFAOYSA-N 1 1 345.443 3.230 10 5 EGBEMO CC(C)C(C)(C)C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479772909 1392379678 /nfs/dbraw/zinc/37/96/78/1392379678.db2.gz AXJWPYLJDHGQLA-UHFFFAOYSA-N 1 1 335.448 3.215 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1(C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001479850685 1392431221 /nfs/dbraw/zinc/43/12/21/1392431221.db2.gz GBTYBBDGOOSGBI-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC1(C(=O)NCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCC1 ZINC001691219539 1405159770 /nfs/dbraw/zinc/15/97/70/1405159770.db2.gz JGTNRNHTEBWTOR-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1occc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001714647375 1419423250 /nfs/dbraw/zinc/42/32/50/1419423250.db2.gz PNGAAWFHFXHNIX-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CCC(=O)N1CCC(CC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001715440942 1420126031 /nfs/dbraw/zinc/12/60/31/1420126031.db2.gz DPTJMRJWCLKVST-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO CCCCC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001717626668 1421535871 /nfs/dbraw/zinc/53/58/71/1421535871.db2.gz DKNKQKIBEGXFEH-UHFFFAOYSA-N 1 1 345.443 3.209 10 5 EGBEMO C/C=C(\C)C(=O)N(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001717947597 1421713610 /nfs/dbraw/zinc/71/36/10/1421713610.db2.gz LOFWIQXWFUNLSN-GIDUJCDVSA-N 1 1 333.432 3.230 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000359974150 201121087 /nfs/dbraw/zinc/12/10/87/201121087.db2.gz NHVLVIHNQQKMLZ-SFHVURJKSA-N 1 1 330.359 3.136 10 5 EGBEMO CC(C)c1csc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174875158 207067220 /nfs/dbraw/zinc/06/72/20/207067220.db2.gz QXZBXUMCVSIQTI-ZDUSSCGKSA-N 1 1 349.460 3.251 10 5 EGBEMO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346250653 141186249 /nfs/dbraw/zinc/18/62/49/141186249.db2.gz YMLTXYRRVHQCLO-LLVKDONJSA-N 1 1 348.790 3.498 10 5 EGBEMO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346250653 141186251 /nfs/dbraw/zinc/18/62/51/141186251.db2.gz YMLTXYRRVHQCLO-LLVKDONJSA-N 1 1 348.790 3.498 10 5 EGBEMO O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000116293190 152055295 /nfs/dbraw/zinc/05/52/95/152055295.db2.gz WOPODPANTNVEBB-OAHLLOKOSA-N 1 1 329.356 3.354 10 5 EGBEMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355784956 166308642 /nfs/dbraw/zinc/30/86/42/166308642.db2.gz KCJRPGROGVUOFP-QGZVFWFLSA-N 1 1 344.411 3.293 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359556504 167191807 /nfs/dbraw/zinc/19/18/07/167191807.db2.gz MAIUPKUFWPASEB-ACJLOTCBSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359556504 167191810 /nfs/dbraw/zinc/19/18/10/167191810.db2.gz MAIUPKUFWPASEB-ACJLOTCBSA-N 1 1 331.416 3.354 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000367436665 168224971 /nfs/dbraw/zinc/22/49/71/168224971.db2.gz GYNCLOBFBLZOGR-INIZCTEOSA-N 1 1 342.342 3.199 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000367436665 168224975 /nfs/dbraw/zinc/22/49/75/168224975.db2.gz GYNCLOBFBLZOGR-INIZCTEOSA-N 1 1 342.342 3.199 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cs1 ZINC000269976727 266394291 /nfs/dbraw/zinc/39/42/91/266394291.db2.gz MXQPEJKLMLFRPN-MRXNPFEDSA-N 1 1 332.425 3.429 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cs1 ZINC000269976727 266394293 /nfs/dbraw/zinc/39/42/93/266394293.db2.gz MXQPEJKLMLFRPN-MRXNPFEDSA-N 1 1 332.425 3.429 10 5 EGBEMO Cc1nc(F)ccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278431093 268011427 /nfs/dbraw/zinc/01/14/27/268011427.db2.gz JZFJLCAMRYTPET-UHFFFAOYSA-N 1 1 345.374 3.481 10 5 EGBEMO CCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CCCCO1 ZINC000106866962 275170307 /nfs/dbraw/zinc/17/03/07/275170307.db2.gz JPSZUOHXTIZSGG-INIZCTEOSA-N 1 1 349.431 3.123 10 5 EGBEMO CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H]1CCCCO1 ZINC000106866962 275170308 /nfs/dbraw/zinc/17/03/08/275170308.db2.gz JPSZUOHXTIZSGG-INIZCTEOSA-N 1 1 349.431 3.123 10 5 EGBEMO Cc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000184802926 275213480 /nfs/dbraw/zinc/21/34/80/275213480.db2.gz MWUDIECHTQYZEG-UHFFFAOYSA-N 1 1 326.400 3.011 10 5 EGBEMO CCOc1cccc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000302087091 276381142 /nfs/dbraw/zinc/38/11/42/276381142.db2.gz ABWSZBMQCAXHGE-UHFFFAOYSA-N 1 1 341.411 3.316 10 5 EGBEMO CNC(=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000361643951 277002532 /nfs/dbraw/zinc/00/25/32/277002532.db2.gz OEDMETPJEBYDQC-HNNXBMFYSA-N 1 1 347.802 3.215 10 5 EGBEMO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000251775650 278028732 /nfs/dbraw/zinc/02/87/32/278028732.db2.gz LDQUKSWJPRPNHJ-HIFRSBDPSA-N 1 1 331.416 3.027 10 5 EGBEMO C[N@H+]1CC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)C1 ZINC000293608100 308146048 /nfs/dbraw/zinc/14/60/48/308146048.db2.gz PJISWVOEZGLFFG-OAHLLOKOSA-N 1 1 343.349 3.141 10 5 EGBEMO Cc1cccc(N2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)[nH+]1 ZINC000301260050 308693924 /nfs/dbraw/zinc/69/39/24/308693924.db2.gz FTMUCXPHPRFMAV-UHFFFAOYSA-N 1 1 347.806 3.428 10 5 EGBEMO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414942322 309110375 /nfs/dbraw/zinc/11/03/75/309110375.db2.gz MMOJFYLFAOUJED-LRDDRELGSA-N 1 1 331.441 3.411 10 5 EGBEMO COc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422935373 309376891 /nfs/dbraw/zinc/37/68/91/309376891.db2.gz AEVPWAGDNUDVIP-OWCLPIDISA-N 1 1 333.432 3.004 10 5 EGBEMO COc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000422935369 309376954 /nfs/dbraw/zinc/37/69/54/309376954.db2.gz AEVPWAGDNUDVIP-BZUAXINKSA-N 1 1 333.432 3.004 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449419009 310060448 /nfs/dbraw/zinc/06/04/48/310060448.db2.gz GKSCSXZOLAEASY-MOPGFXCFSA-N 1 1 344.386 3.203 10 5 EGBEMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451357323 310174022 /nfs/dbraw/zinc/17/40/22/310174022.db2.gz YPXVPFPWLRFQER-BFYDXBDKSA-N 1 1 334.416 3.119 10 5 EGBEMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CCCCC1 ZINC000451546319 310184914 /nfs/dbraw/zinc/18/49/14/310184914.db2.gz ISDUHQMHBGIGCZ-INIZCTEOSA-N 1 1 345.443 3.223 10 5 EGBEMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CCCCC1 ZINC000451546319 310184915 /nfs/dbraw/zinc/18/49/15/310184915.db2.gz ISDUHQMHBGIGCZ-INIZCTEOSA-N 1 1 345.443 3.223 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451872361 310201474 /nfs/dbraw/zinc/20/14/74/310201474.db2.gz MGONQYKATXLMHH-OLZOCXBDSA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451872361 310201475 /nfs/dbraw/zinc/20/14/75/310201475.db2.gz MGONQYKATXLMHH-OLZOCXBDSA-N 1 1 345.365 3.472 10 5 EGBEMO COc1ccc(NC(=O)C[N@@H+](C(C)C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000452099531 310212081 /nfs/dbraw/zinc/21/20/81/310212081.db2.gz CHYVNXRRXDNUNM-UHFFFAOYSA-N 1 1 349.431 3.441 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000487718753 311035203 /nfs/dbraw/zinc/03/52/03/311035203.db2.gz FPWCMGUGUHEQAR-CABCVRRESA-N 1 1 348.447 3.138 10 5 EGBEMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488729305 311077043 /nfs/dbraw/zinc/07/70/43/311077043.db2.gz RKBNDVARFYXFOC-MRXNPFEDSA-N 1 1 345.443 3.385 10 5 EGBEMO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488765155 311079158 /nfs/dbraw/zinc/07/91/58/311079158.db2.gz HJXOXRWNLXVYQY-CQSZACIVSA-N 1 1 340.427 3.454 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000489976027 311127949 /nfs/dbraw/zinc/12/79/49/311127949.db2.gz FREKCHJZUIGODQ-INIZCTEOSA-N 1 1 327.384 3.290 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000489976028 311127964 /nfs/dbraw/zinc/12/79/64/311127964.db2.gz FREKCHJZUIGODQ-MRXNPFEDSA-N 1 1 327.384 3.290 10 5 EGBEMO CN1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000552283385 315210758 /nfs/dbraw/zinc/21/07/58/315210758.db2.gz BLUBVBBRLPKOOR-OWCLPIDISA-N 1 1 337.851 3.253 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000183299452 455273906 /nfs/dbraw/zinc/27/39/06/455273906.db2.gz OPMPRHNMXXSBBW-UHFFFAOYSA-N 1 1 332.429 3.072 10 5 EGBEMO Cc1sc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000032766153 453889843 /nfs/dbraw/zinc/88/98/43/453889843.db2.gz WVBXDQWKFOKPSX-UHFFFAOYSA-N 1 1 347.440 3.217 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000265923344 455407657 /nfs/dbraw/zinc/40/76/57/455407657.db2.gz CSKZHFQRZZDPGT-CQSZACIVSA-N 1 1 327.384 3.184 10 5 EGBEMO O=[N+]([O-])c1ccc2nc(C[NH+]3CCN(c4ccccc4)CC3)ccc2c1 ZINC000090367518 454297777 /nfs/dbraw/zinc/29/77/77/454297777.db2.gz LYRLHBRLOOFCON-UHFFFAOYSA-N 1 1 348.406 3.465 10 5 EGBEMO Cc1cc(C[C@@H](C)[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000090529682 454317764 /nfs/dbraw/zinc/31/77/64/454317764.db2.gz BLCITVORFGQOFI-PXAZEXFGSA-N 1 1 328.416 3.168 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)nc1 ZINC000072665332 454325292 /nfs/dbraw/zinc/32/52/92/454325292.db2.gz QKFGKMDIJLAJIH-MRXNPFEDSA-N 1 1 349.394 3.224 10 5 EGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000105895837 454664673 /nfs/dbraw/zinc/66/46/73/454664673.db2.gz XYWXMIFWYHNNJZ-KRWDZBQOSA-N 1 1 328.416 3.325 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105894717 454664691 /nfs/dbraw/zinc/66/46/91/454664691.db2.gz XBQHXWFYTUEMEK-MRXNPFEDSA-N 1 1 344.415 3.291 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105894717 454664695 /nfs/dbraw/zinc/66/46/95/454664695.db2.gz XBQHXWFYTUEMEK-MRXNPFEDSA-N 1 1 344.415 3.291 10 5 EGBEMO Cc1sc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000124485509 454739195 /nfs/dbraw/zinc/73/91/95/454739195.db2.gz DESZKVCMUQCOIO-ZDUSSCGKSA-N 1 1 339.461 3.063 10 5 EGBEMO COc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])cc1F ZINC000154910713 454941929 /nfs/dbraw/zinc/94/19/29/454941929.db2.gz KJNRDZBQRBGKCI-GFCCVEGCSA-N 1 1 337.395 3.196 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152184106 455083554 /nfs/dbraw/zinc/08/35/54/455083554.db2.gz ZDOBKXSAVNZXCM-HNNXBMFYSA-N 1 1 333.775 3.297 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152184106 455083558 /nfs/dbraw/zinc/08/35/58/455083558.db2.gz ZDOBKXSAVNZXCM-HNNXBMFYSA-N 1 1 333.775 3.297 10 5 EGBEMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000172879962 455202111 /nfs/dbraw/zinc/20/21/11/455202111.db2.gz OALGHQWHXZNGJU-RYUDHWBXSA-N 1 1 347.371 3.183 10 5 EGBEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246226567 455453796 /nfs/dbraw/zinc/45/37/96/455453796.db2.gz MAGZRZZHVPQJOI-IINYFYTJSA-N 1 1 340.811 3.098 10 5 EGBEMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2c(s1)CCCC2 ZINC000175542062 455460793 /nfs/dbraw/zinc/46/07/93/455460793.db2.gz WRVBUZKVZAUJIG-UHFFFAOYSA-N 1 1 347.440 3.441 10 5 EGBEMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2c(s1)CCCC2 ZINC000175542062 455460794 /nfs/dbraw/zinc/46/07/94/455460794.db2.gz WRVBUZKVZAUJIG-UHFFFAOYSA-N 1 1 347.440 3.441 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277830028 455679191 /nfs/dbraw/zinc/67/91/91/455679191.db2.gz 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/nfs/dbraw/zinc/07/32/05/459073205.db2.gz YGMMLOQUHDYHJU-SUMWQHHRSA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000590053204 459073209 /nfs/dbraw/zinc/07/32/09/459073209.db2.gz YGMMLOQUHDYHJU-SUMWQHHRSA-N 1 1 343.452 3.459 10 5 EGBEMO C[N@H+]1C[C@@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000590053204 459073215 /nfs/dbraw/zinc/07/32/15/459073215.db2.gz YGMMLOQUHDYHJU-SUMWQHHRSA-N 1 1 343.452 3.459 10 5 EGBEMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000594925147 459179207 /nfs/dbraw/zinc/17/92/07/459179207.db2.gz LJEOCQZBCSCVMC-SECBINFHSA-N 1 1 328.294 3.198 10 5 EGBEMO CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595384959 459288248 /nfs/dbraw/zinc/28/82/48/459288248.db2.gz TWWYKYWYFAYHOB-GOSISDBHSA-N 1 1 343.402 3.440 10 5 EGBEMO COc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000582147543 459315023 /nfs/dbraw/zinc/31/50/23/459315023.db2.gz UUWMEYVSRAYZJD-UHFFFAOYSA-N 1 1 341.411 3.316 10 5 EGBEMO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595761647 459430110 /nfs/dbraw/zinc/43/01/10/459430110.db2.gz YZCZZRCDDGJFTR-SMDDNHRTSA-N 1 1 330.306 3.082 10 5 EGBEMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595761647 459430112 /nfs/dbraw/zinc/43/01/12/459430112.db2.gz YZCZZRCDDGJFTR-SMDDNHRTSA-N 1 1 330.306 3.082 10 5 EGBEMO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000561266513 459436899 /nfs/dbraw/zinc/43/68/99/459436899.db2.gz YUHHVDFEENQUGK-GOSISDBHSA-N 1 1 340.427 3.481 10 5 EGBEMO O=C(CC[N@H+]1CCC[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595838292 459459151 /nfs/dbraw/zinc/45/91/51/459459151.db2.gz UUEGVTKDCAJIMZ-OAHLLOKOSA-N 1 1 331.416 3.436 10 5 EGBEMO CCCN(C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000591976296 459501829 /nfs/dbraw/zinc/50/18/29/459501829.db2.gz QFXRWSHBRLLPKN-IAGOWNOFSA-N 1 1 348.447 3.172 10 5 EGBEMO CC[N@H+]1CCC[C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596093704 459517225 /nfs/dbraw/zinc/51/72/25/459517225.db2.gz DXJRYUNYJAKAHR-NSHDSACASA-N 1 1 327.812 3.401 10 5 EGBEMO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](CC)C1 ZINC000596458606 459643773 /nfs/dbraw/zinc/64/37/73/459643773.db2.gz UHGVFIGRNAXRQX-GFCCVEGCSA-N 1 1 340.811 3.196 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596865842 459781623 /nfs/dbraw/zinc/78/16/23/459781623.db2.gz JBVAKUCTTHNQLA-ZDUSSCGKSA-N 1 1 334.420 3.206 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596865841 459781788 /nfs/dbraw/zinc/78/17/88/459781788.db2.gz JBVAKUCTTHNQLA-CYBMUJFWSA-N 1 1 334.420 3.206 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000597233095 459886895 /nfs/dbraw/zinc/88/68/95/459886895.db2.gz WZOJUHURINFHBB-XBNGYDHASA-N 1 1 345.443 3.235 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1 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EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000862154277 1329462603 /nfs/dbraw/zinc/46/26/03/1329462603.db2.gz ISKDASOGVIWZFG-AWEZNQCLSA-N 1 1 341.411 3.351 10 5 EGBEMO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[N@H+]1CCCC2(CC2)CC1 ZINC000863331339 1329547115 /nfs/dbraw/zinc/54/71/15/1329547115.db2.gz JLLIGUAFSRKBIT-QGZVFWFLSA-N 1 1 343.427 3.134 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000866480884 1330117353 /nfs/dbraw/zinc/11/73/53/1330117353.db2.gz MAPKFXWBOXHUPZ-HOTGVXAUSA-N 1 1 346.456 3.293 10 5 EGBEMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC001191059099 1367413089 /nfs/dbraw/zinc/41/30/89/1367413089.db2.gz SVDWCINZFLBBEX-OAHLLOKOSA-N 1 1 345.443 3.242 10 5 EGBEMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001191101225 1367423581 /nfs/dbraw/zinc/42/35/81/1367423581.db2.gz VGAMAMQJRLGNJT-HUUCEWRRSA-N 1 1 338.452 3.015 10 5 EGBEMO COC(C)(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br 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327.812 3.018 10 5 EGBEMO C[C@H]1C[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000302028735 456271606 /nfs/dbraw/zinc/27/16/06/456271606.db2.gz JCGACFZYHDAAGJ-WMLDXEAASA-N 1 1 341.411 3.162 10 5 EGBEMO O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000302039286 456273733 /nfs/dbraw/zinc/27/37/33/456273733.db2.gz NBKVOWAJGOTVQF-KRWDZBQOSA-N 1 1 341.411 3.164 10 5 EGBEMO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000310279218 456581515 /nfs/dbraw/zinc/58/15/15/456581515.db2.gz VRPUSMITKVTBDC-RBSFLKMASA-N 1 1 344.440 3.374 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000326716494 456697523 /nfs/dbraw/zinc/69/75/23/456697523.db2.gz PRZIOZUDFJIFLD-BRWVUGGUSA-N 1 1 334.416 3.119 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000330389249 457038169 /nfs/dbraw/zinc/03/81/69/457038169.db2.gz DVTBZRZNDOQKFY-ZDUSSCGKSA-N 1 1 333.432 3.144 10 5 EGBEMO 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344.415 3.078 10 5 EGBEMO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000401175048 1297738313 /nfs/dbraw/zinc/73/83/13/1297738313.db2.gz ZIFJVEQJHWGYLI-HNNXBMFYSA-N 1 1 330.363 3.205 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895842874 1309550796 /nfs/dbraw/zinc/55/07/96/1309550796.db2.gz GGTHPKDNSCMSPU-FZMZJTMJSA-N 1 1 342.342 3.197 10 5 EGBEMO C[N@@H+](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000930788234 1328970920 /nfs/dbraw/zinc/97/09/20/1328970920.db2.gz QWSALJIXDRPOKY-MSOLQXFVSA-N 1 1 345.443 3.079 10 5 EGBEMO CC[C@H](C)[N@@H+](C)CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931660280 1329159861 /nfs/dbraw/zinc/15/98/61/1329159861.db2.gz DTUIDHVWGPOYIK-LBPRGKRZSA-N 1 1 341.839 3.027 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000926948350 1327790262 /nfs/dbraw/zinc/79/02/62/1327790262.db2.gz DUMPEUNUUYUZNC-QGZVFWFLSA-N 1 1 326.400 3.364 10 5 EGBEMO 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1 327.388 3.096 10 5 EGBEMO CCOc1cc(N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)ccc1[N+](=O)[O-] ZINC001164382894 1383183557 /nfs/dbraw/zinc/18/35/57/1383183557.db2.gz DZRYMLLUDSGUES-KDURUIRLSA-N 1 1 345.443 3.306 10 5 EGBEMO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167397394 1383622406 /nfs/dbraw/zinc/62/24/06/1383622406.db2.gz NKXIYGHEVLPABC-NVXWUHKLSA-N 1 1 343.427 3.281 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001301038720 1383691701 /nfs/dbraw/zinc/69/17/01/1383691701.db2.gz NMHOVVSXZHAAGZ-OAHLLOKOSA-N 1 1 345.443 3.348 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001301038719 1383692016 /nfs/dbraw/zinc/69/20/16/1383692016.db2.gz NMHOVVSXZHAAGZ-HNNXBMFYSA-N 1 1 345.443 3.348 10 5 EGBEMO Cc1cc(NCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])s1 ZINC001306928730 1383921896 /nfs/dbraw/zinc/92/18/96/1383921896.db2.gz VYADUBKWVLJAGS-UHFFFAOYSA-N 1 1 346.456 3.199 10 5 EGBEMO CC[C@@](O)(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC001307538039 1383998734 /nfs/dbraw/zinc/99/87/34/1383998734.db2.gz QEPOOOOANIDCSW-CQSZACIVSA-N 1 1 332.322 3.263 10 5 EGBEMO CC[C@@](O)(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC001307538039 1383998737 /nfs/dbraw/zinc/99/87/37/1383998737.db2.gz QEPOOOOANIDCSW-CQSZACIVSA-N 1 1 332.322 3.263 10 5 EGBEMO COc1cc(C[N@H+]2CCCSC[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC001176649782 1385646924 /nfs/dbraw/zinc/64/69/24/1385646924.db2.gz LVUIRKQRGAGPAT-HNNXBMFYSA-N 1 1 340.420 3.460 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001176995890 1385768311 /nfs/dbraw/zinc/76/83/11/1385768311.db2.gz OZGMAKOSCMVKSJ-INIZCTEOSA-N 1 1 349.431 3.060 10 5 EGBEMO C[N@H+]1C[C@@]23CN(Cc4cc(F)ccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001177009007 1385772232 /nfs/dbraw/zinc/77/22/32/1385772232.db2.gz VHVQSEBQOPNVML-HDICACEKSA-N 1 1 333.407 3.042 10 5 EGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001320094906 1386507958 /nfs/dbraw/zinc/50/79/58/1386507958.db2.gz NOVQSNXDKGPHRC-UHFFFAOYSA-N 1 1 331.397 3.393 10 5 EGBEMO C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001332233429 1390058259 /nfs/dbraw/zinc/05/82/59/1390058259.db2.gz XGCPNQAQTLKOPK-STQMWFEESA-N 1 1 337.395 3.033 10 5 EGBEMO CC(C)N(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C)CC1 ZINC001332720537 1390167514 /nfs/dbraw/zinc/16/75/14/1390167514.db2.gz QIBOUOBJEYEFJE-UHFFFAOYSA-N 1 1 347.459 3.454 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C)CC1 ZINC001332720537 1390167517 /nfs/dbraw/zinc/16/75/17/1390167517.db2.gz QIBOUOBJEYEFJE-UHFFFAOYSA-N 1 1 347.459 3.454 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001350490385 1391470661 /nfs/dbraw/zinc/47/06/61/1391470661.db2.gz IEMHMLZJVZQECE-JTQLQIEISA-N 1 1 349.822 3.476 10 5 EGBEMO CC(C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001480853106 1392983470 /nfs/dbraw/zinc/98/34/70/1392983470.db2.gz CYCBVCQYUNWJDS-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCCC1 ZINC001484751768 1395504093 /nfs/dbraw/zinc/50/40/93/1395504093.db2.gz DISLMWDSQFVSDC-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CC[N@H+](CCNC(=O)c1c(C)coc1C)Cc1ccccc1[N+](=O)[O-] ZINC001492948842 1396329395 /nfs/dbraw/zinc/32/93/95/1396329395.db2.gz XYPFAIYQIDWMLY-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1c(C)coc1C)Cc1ccccc1[N+](=O)[O-] ZINC001492948842 1396329396 /nfs/dbraw/zinc/32/93/96/1396329396.db2.gz XYPFAIYQIDWMLY-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CCCCCC(=O)NCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701042685 1414700248 /nfs/dbraw/zinc/70/02/48/1414700248.db2.gz KKPRIWAPGSCTNQ-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CCCCCC(=O)NCC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701042685 1414700254 /nfs/dbraw/zinc/70/02/54/1414700254.db2.gz KKPRIWAPGSCTNQ-UHFFFAOYSA-N 1 1 345.443 3.423 10 5 EGBEMO CCc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001713475291 1418155423 /nfs/dbraw/zinc/15/54/23/1418155423.db2.gz RNRGNKDPDLVRLR-UHFFFAOYSA-N 1 1 341.411 3.019 10 5 EGBEMO CC(C(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)=C1CCC1 ZINC001713556606 1418349473 /nfs/dbraw/zinc/34/94/73/1418349473.db2.gz USBOKDIATLYAHR-UHFFFAOYSA-N 1 1 343.427 3.176 10 5 EGBEMO CC(C(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)=C1CCC1 ZINC001713556606 1418349475 /nfs/dbraw/zinc/34/94/75/1418349475.db2.gz USBOKDIATLYAHR-UHFFFAOYSA-N 1 1 343.427 3.176 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1CC2(CC2)C1)Cc1ccccc1[N+](=O)[O-] ZINC001731317764 1427258832 /nfs/dbraw/zinc/25/88/32/1427258832.db2.gz SDDIOEGXUDWBIJ-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CC(C(=O)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)=C1CCC1 ZINC001731875945 1428139856 /nfs/dbraw/zinc/13/98/56/1428139856.db2.gz WSPWANJJSDVNAY-UHFFFAOYSA-N 1 1 343.427 3.176 10 5 EGBEMO CCc1nc(C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000173697222 529731507 /nfs/dbraw/zinc/73/15/07/529731507.db2.gz SIPRDUDJUJXPHV-UHFFFAOYSA-N 1 1 330.388 3.142 10 5 EGBEMO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245388717 243107180 /nfs/dbraw/zinc/10/71/80/243107180.db2.gz FCIKIPVAWXQHSQ-CABCVRRESA-N 1 1 333.432 3.284 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246775894 141033520 /nfs/dbraw/zinc/03/35/20/141033520.db2.gz WUALEQXKKOTVLT-GOEBONIOSA-N 1 1 346.383 3.155 10 5 EGBEMO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000173759541 144048467 /nfs/dbraw/zinc/04/84/67/144048467.db2.gz RFDMNAMPTVUTBB-CQSZACIVSA-N 1 1 332.356 3.412 10 5 EGBEMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000190979854 153169485 /nfs/dbraw/zinc/16/94/85/153169485.db2.gz PVBCIGRXAQEWAX-INIZCTEOSA-N 1 1 334.416 3.052 10 5 EGBEMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000190979875 153170123 /nfs/dbraw/zinc/17/01/23/153170123.db2.gz PVBCIGRXAQEWAX-MRXNPFEDSA-N 1 1 334.416 3.052 10 5 EGBEMO C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000343767670 164029649 /nfs/dbraw/zinc/02/96/49/164029649.db2.gz OMIIUNDNDWDCFX-KRWDZBQOSA-N 1 1 341.367 3.420 10 5 EGBEMO C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000343767670 164029652 /nfs/dbraw/zinc/02/96/52/164029652.db2.gz OMIIUNDNDWDCFX-KRWDZBQOSA-N 1 1 341.367 3.420 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344033831 164087237 /nfs/dbraw/zinc/08/72/37/164087237.db2.gz FWEWYJQFRQZFRC-ZIAGYGMSSA-N 1 1 347.415 3.219 10 5 EGBEMO C[C@H](c1cccc(Nc2ccc([N+](=O)[O-])nc2)c1)[NH+]1CCOCC1 ZINC000344425392 164176000 /nfs/dbraw/zinc/17/60/00/164176000.db2.gz VTURHARBKXBOBS-CYBMUJFWSA-N 1 1 328.372 3.127 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ncccc1O ZINC000355283293 166153674 /nfs/dbraw/zinc/15/36/74/166153674.db2.gz QWCYKMNJVARGBB-UKRRQHHQSA-N 1 1 327.384 3.196 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359554691 167190356 /nfs/dbraw/zinc/19/03/56/167190356.db2.gz JJQWPRJXOFATNB-SCLBCKFNSA-N 1 1 331.416 3.354 10 5 EGBEMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561191 167193965 /nfs/dbraw/zinc/19/39/65/167193965.db2.gz QVANPTBQJIEHDI-ACJLOTCBSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561191 167193968 /nfs/dbraw/zinc/19/39/68/167193968.db2.gz QVANPTBQJIEHDI-ACJLOTCBSA-N 1 1 347.415 3.054 10 5 EGBEMO Cc1sc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172419149 227688922 /nfs/dbraw/zinc/68/89/22/227688922.db2.gz KOFQRQNLGWSEJV-UHFFFAOYSA-N 1 1 337.445 3.055 10 5 EGBEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000193637135 266049354 /nfs/dbraw/zinc/04/93/54/266049354.db2.gz KLTVYVYFAVHASU-JTQLQIEISA-N 1 1 337.763 3.439 10 5 EGBEMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000408448884 274316357 /nfs/dbraw/zinc/31/63/57/274316357.db2.gz BSWZXCIIPADCFR-VNHYZAJKSA-N 1 1 343.431 3.313 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295742213 308355566 /nfs/dbraw/zinc/35/55/66/308355566.db2.gz WRFZKGIQXGJZFS-UONOGXRCSA-N 1 1 333.432 3.269 10 5 EGBEMO Cn1cc(C[N@@H+]2CCC[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295976188 308380645 /nfs/dbraw/zinc/38/06/45/308380645.db2.gz JBMWZJMPJHPBCV-QGZVFWFLSA-N 1 1 332.379 3.319 10 5 EGBEMO Cn1cc(C[N@H+]2CCC[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295976188 308380646 /nfs/dbraw/zinc/38/06/46/308380646.db2.gz JBMWZJMPJHPBCV-QGZVFWFLSA-N 1 1 332.379 3.319 10 5 EGBEMO CN(C)C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000417356703 309202889 /nfs/dbraw/zinc/20/28/89/309202889.db2.gz PWGJDODJLPIVRX-GOSISDBHSA-N 1 1 325.412 3.368 10 5 EGBEMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449425653 310061083 /nfs/dbraw/zinc/06/10/83/310061083.db2.gz QEPXDBMHTYVQAT-CJNGLKHVSA-N 1 1 330.384 3.448 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@](O)(C(F)F)C3)o2)c1 ZINC000449466976 310064382 /nfs/dbraw/zinc/06/43/82/310064382.db2.gz IECZJCAAXJOLKK-MRXNPFEDSA-N 1 1 338.310 3.057 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000451007285 310155289 /nfs/dbraw/zinc/15/52/89/310155289.db2.gz UHIHHLFYJOGLBF-MRXNPFEDSA-N 1 1 327.384 3.378 10 5 EGBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451272914 310169276 /nfs/dbraw/zinc/16/92/76/310169276.db2.gz VKGSWQMMNJQWSV-QMTHXVAHSA-N 1 1 332.322 3.206 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000451544721 310184477 /nfs/dbraw/zinc/18/44/77/310184477.db2.gz FMXYCUJQXHCBCA-TZMCWYRMSA-N 1 1 332.322 3.088 10 5 EGBEMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000459677850 310568359 /nfs/dbraw/zinc/56/83/59/310568359.db2.gz BAIFSXNEMLCJCA-HIFRSBDPSA-N 1 1 334.397 3.019 10 5 EGBEMO C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000538277560 314236871 /nfs/dbraw/zinc/23/68/71/314236871.db2.gz SKCUBYJUSBMJAS-CQSZACIVSA-N 1 1 333.432 3.332 10 5 EGBEMO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000539376816 314309657 /nfs/dbraw/zinc/30/96/57/314309657.db2.gz JXBQGHAFHMTXML-LLVKDONJSA-N 1 1 332.356 3.442 10 5 EGBEMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000551724713 315165607 /nfs/dbraw/zinc/16/56/07/315165607.db2.gz VIZHOYDBSGWPQA-CQSZACIVSA-N 1 1 339.823 3.129 10 5 EGBEMO Cc1cccc2c1cc[nH+]c2N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564893656 316228069 /nfs/dbraw/zinc/22/80/69/316228069.db2.gz VYTDHESXOVZNKH-UHFFFAOYSA-N 1 1 349.394 3.173 10 5 EGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176792204 454783726 /nfs/dbraw/zinc/78/37/26/454783726.db2.gz LJMSRLCFOOUSOZ-CQSZACIVSA-N 1 1 343.387 3.105 10 5 EGBEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000167842126 454924280 /nfs/dbraw/zinc/92/42/80/454924280.db2.gz UMJQIFIZIWMEGJ-HUUCEWRRSA-N 1 1 329.404 3.325 10 5 EGBEMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000180117375 455134520 /nfs/dbraw/zinc/13/45/20/455134520.db2.gz BWKCMRNQBBQJRX-ZWKOTPCHSA-N 1 1 339.395 3.078 10 5 EGBEMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180154662 455140829 /nfs/dbraw/zinc/14/08/29/455140829.db2.gz PJEUIEBXSRCTIV-FUHWJXTLSA-N 1 1 339.395 3.078 10 5 EGBEMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000181746932 455378182 /nfs/dbraw/zinc/37/81/82/455378182.db2.gz RCDAIQPTLNHWQB-NSHDSACASA-N 1 1 332.331 3.356 10 5 EGBEMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 ZINC000182285210 455480640 /nfs/dbraw/zinc/48/06/40/455480640.db2.gz DTDIOBAMOSVRKK-SNVBAGLBSA-N 1 1 341.323 3.316 10 5 EGBEMO CC[C@@H](NC(=O)NCC[N@H+](C)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000246998146 455542407 /nfs/dbraw/zinc/54/24/07/455542407.db2.gz KOGUGDFUFONUBO-XJKSGUPXSA-N 1 1 336.436 3.075 10 5 EGBEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000246998115 455542637 /nfs/dbraw/zinc/54/26/37/455542637.db2.gz KOGUGDFUFONUBO-CZUORRHYSA-N 1 1 336.436 3.075 10 5 EGBEMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccs1 ZINC000247459199 455603793 /nfs/dbraw/zinc/60/37/93/455603793.db2.gz QVUWVDSCSFCWIW-NHYWBVRUSA-N 1 1 349.412 3.062 10 5 EGBEMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000248062680 455678215 /nfs/dbraw/zinc/67/82/15/455678215.db2.gz PJEUIEBXSRCTIV-WMZOPIPTSA-N 1 1 339.395 3.078 10 5 EGBEMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000292643751 455720659 /nfs/dbraw/zinc/72/06/59/455720659.db2.gz KPHDCEGUHYGZBO-LBPRGKRZSA-N 1 1 341.839 3.407 10 5 EGBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)no1 ZINC000195518237 455977539 /nfs/dbraw/zinc/97/75/39/455977539.db2.gz WIZOHHATCCSNMU-AWEZNQCLSA-N 1 1 330.388 3.049 10 5 EGBEMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301469225 456122999 /nfs/dbraw/zinc/12/29/99/456122999.db2.gz HUULCAKWGIUZHH-YDHLFZDLSA-N 1 1 335.835 3.477 10 5 EGBEMO COc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(F)cc1[N+](=O)[O-] ZINC000271098514 456124215 /nfs/dbraw/zinc/12/42/15/456124215.db2.gz NWMIJJGUWGBQHM-OLZOCXBDSA-N 1 1 337.395 3.194 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601115852 460715992 /nfs/dbraw/zinc/71/59/92/460715992.db2.gz DHSHFLYSOGDFIA-ZIAGYGMSSA-N 1 1 336.411 3.220 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000301592403 456156346 /nfs/dbraw/zinc/15/63/46/456156346.db2.gz DMSQXMNIFPJWNJ-GFCCVEGCSA-N 1 1 325.384 3.132 10 5 EGBEMO Cc1cc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)ncc1[N+](=O)[O-] ZINC000302685629 456374864 /nfs/dbraw/zinc/37/48/64/456374864.db2.gz TVHMXZDJLCZAJQ-UHFFFAOYSA-N 1 1 346.818 3.422 10 5 EGBEMO Cc1cc(NCC[N@H+]2CCc3c(Cl)cccc3C2)ncc1[N+](=O)[O-] ZINC000302685629 456374869 /nfs/dbraw/zinc/37/48/69/456374869.db2.gz TVHMXZDJLCZAJQ-UHFFFAOYSA-N 1 1 346.818 3.422 10 5 EGBEMO C[C@](CO)([NH2+]Cc1sccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601148646 460731751 /nfs/dbraw/zinc/73/17/51/460731751.db2.gz GDXPSMVXFUGHHW-CQSZACIVSA-N 1 1 326.805 3.307 10 5 EGBEMO C[C@](CO)([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149528 460731902 /nfs/dbraw/zinc/73/19/02/460731902.db2.gz NPLYBLSQMYZURA-MRXNPFEDSA-N 1 1 340.301 3.009 10 5 EGBEMO CN(c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000338390689 456789818 /nfs/dbraw/zinc/78/98/18/456789818.db2.gz WSAVKYSFOPCGSJ-UHFFFAOYSA-N 1 1 346.456 3.324 10 5 EGBEMO CN(c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000338390689 456789826 /nfs/dbraw/zinc/78/98/26/456789826.db2.gz WSAVKYSFOPCGSJ-UHFFFAOYSA-N 1 1 346.456 3.324 10 5 EGBEMO CCOCc1nc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000353615123 456804728 /nfs/dbraw/zinc/80/47/28/456804728.db2.gz YAMOPHYVZGVDPQ-STQMWFEESA-N 1 1 348.403 3.186 10 5 EGBEMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@@H](CC)CN1C(C)=O ZINC000349974451 457129150 /nfs/dbraw/zinc/12/91/50/457129150.db2.gz MSJRPUYBSUFYKT-DLBZAZTESA-N 1 1 333.432 3.125 10 5 EGBEMO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000425413971 457542616 /nfs/dbraw/zinc/54/26/16/457542616.db2.gz CHMWNVDMNWZFJM-UHFFFAOYSA-N 1 1 343.221 3.216 10 5 EGBEMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000374783952 457705949 /nfs/dbraw/zinc/70/59/49/457705949.db2.gz XDTWVCNAYWZBSE-MQVJKMGUSA-N 1 1 326.400 3.239 10 5 EGBEMO Cc1ccncc1C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361420578 457726380 /nfs/dbraw/zinc/72/63/80/457726380.db2.gz BRBVWZISCPQEOF-UHFFFAOYSA-N 1 1 342.399 3.067 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000411292201 457851396 /nfs/dbraw/zinc/85/13/96/457851396.db2.gz DPMJFEJWUUOONY-CHWSQXEVSA-N 1 1 335.404 3.052 10 5 EGBEMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000444713044 457952460 /nfs/dbraw/zinc/95/24/60/457952460.db2.gz XZZCNWACLKYKOM-SFHVURJKSA-N 1 1 344.411 3.083 10 5 EGBEMO CC[C@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458493399 458068856 /nfs/dbraw/zinc/06/88/56/458068856.db2.gz GSCICTIWNKUSCG-YOEHRIQHSA-N 1 1 348.447 3.077 10 5 EGBEMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)nc2c1 ZINC000435026945 458078972 /nfs/dbraw/zinc/07/89/72/458078972.db2.gz ODNOTFTYLABXMC-QGZVFWFLSA-N 1 1 331.372 3.129 10 5 EGBEMO COc1cc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000459826655 458485919 /nfs/dbraw/zinc/48/59/19/458485919.db2.gz MNXFBTOYXXVAPP-LBPRGKRZSA-N 1 1 338.404 3.013 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCc4[nH]cnc4C3)o2)c1 ZINC000377791016 458528649 /nfs/dbraw/zinc/52/86/49/458528649.db2.gz YFQJMJZMKVKRSM-ZDUSSCGKSA-N 1 1 338.367 3.225 10 5 EGBEMO COc1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000470959455 458670026 /nfs/dbraw/zinc/67/00/26/458670026.db2.gz NUZBYDAOMXGZAG-CMPLNLGQSA-N 1 1 348.321 3.255 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2c[nH+]c3c2CCCC3)n1 ZINC000568563136 459308080 /nfs/dbraw/zinc/30/80/80/459308080.db2.gz YJMWIMXIXMNRGC-UHFFFAOYSA-N 1 1 339.355 3.077 10 5 EGBEMO CC[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595661924 459387320 /nfs/dbraw/zinc/38/73/20/459387320.db2.gz CVWGJKXMSZTNGE-JKSUJKDBSA-N 1 1 348.447 3.218 10 5 EGBEMO COc1cc(C[N@@H+](C)CCOc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000485719860 459467019 /nfs/dbraw/zinc/46/70/19/459467019.db2.gz WMPMGVHFTIWZKV-UHFFFAOYSA-N 1 1 330.384 3.423 10 5 EGBEMO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000485741322 459468018 /nfs/dbraw/zinc/46/80/18/459468018.db2.gz YXTFTTNNBQUTBQ-UHFFFAOYSA-N 1 1 341.411 3.234 10 5 EGBEMO COc1cc(C[N@@H+](C)CCOc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000485815115 459471037 /nfs/dbraw/zinc/47/10/37/459471037.db2.gz MEEMYWMLXWPOFS-UHFFFAOYSA-N 1 1 334.347 3.253 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccccc1 ZINC000485987747 459483165 /nfs/dbraw/zinc/48/31/65/459483165.db2.gz GRJAPWTVQNRJIP-CXAGYDPISA-N 1 1 330.363 3.173 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CC=CCC1 ZINC000542245971 459539245 /nfs/dbraw/zinc/53/92/45/459539245.db2.gz XMNOOMOUTSGDLJ-LBPRGKRZSA-N 1 1 337.807 3.475 10 5 EGBEMO CC(C)[C@@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592446643 459601453 /nfs/dbraw/zinc/60/14/53/459601453.db2.gz KYYXLKHYBYEPIV-WMZOPIPTSA-N 1 1 346.427 3.011 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596425024 459633718 /nfs/dbraw/zinc/63/37/18/459633718.db2.gz XEPPFJPRBURWLH-GOSISDBHSA-N 1 1 341.411 3.082 10 5 EGBEMO C[C@@]12COC[C@H]1C[N@@H+](Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000597211065 459879531 /nfs/dbraw/zinc/87/95/31/459879531.db2.gz KVSRAXJSQVQFRI-CXAGYDPISA-N 1 1 345.424 3.187 10 5 EGBEMO C[N@H+]1CCC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000599055556 460142453 /nfs/dbraw/zinc/14/24/53/460142453.db2.gz HUDMQHQSVFNKIU-ZBFHGGJFSA-N 1 1 326.400 3.064 10 5 EGBEMO O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+]2C2CCCCC2)nc2sccn21 ZINC000599127006 460169453 /nfs/dbraw/zinc/16/94/53/460169453.db2.gz LQNQADIPZWDLSK-LBPRGKRZSA-N 1 1 335.433 3.123 10 5 EGBEMO Cc1cn2c([nH+]1)C[C@@H](c1nc(-c3cc(C)cc([N+](=O)[O-])c3)no1)CC2 ZINC000599163586 460181948 /nfs/dbraw/zinc/18/19/48/460181948.db2.gz DXZJXPHTESZAGL-LBPRGKRZSA-N 1 1 339.355 3.188 10 5 EGBEMO Cc1cccc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000614978215 460257105 /nfs/dbraw/zinc/25/71/05/460257105.db2.gz OAVISYFSUCOIDL-CQSZACIVSA-N 1 1 326.400 3.430 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]2CCC[C@H]21 ZINC000599650143 460298131 /nfs/dbraw/zinc/29/81/31/460298131.db2.gz CUKYQTGJQOPOEU-UXLLHSPISA-N 1 1 332.400 3.067 10 5 EGBEMO COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671627 460304071 /nfs/dbraw/zinc/30/40/71/460304071.db2.gz ZSAMNZAEPKYWHQ-UGSOOPFHSA-N 1 1 340.379 3.428 10 5 EGBEMO COC(=O)[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671627 460304072 /nfs/dbraw/zinc/30/40/72/460304072.db2.gz ZSAMNZAEPKYWHQ-UGSOOPFHSA-N 1 1 340.379 3.428 10 5 EGBEMO COC[C@]1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600212541 460444002 /nfs/dbraw/zinc/44/40/02/460444002.db2.gz FVUWGFHCMZSEOP-SFHVURJKSA-N 1 1 346.383 3.092 10 5 EGBEMO COC[C@]1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600212541 460444006 /nfs/dbraw/zinc/44/40/06/460444006.db2.gz FVUWGFHCMZSEOP-SFHVURJKSA-N 1 1 346.383 3.092 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600470709 460500212 /nfs/dbraw/zinc/50/02/12/460500212.db2.gz HZADEXZESFXHOO-INIZCTEOSA-N 1 1 345.443 3.267 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601664155 460862412 /nfs/dbraw/zinc/86/24/12/460862412.db2.gz JKGRVHQDHAHDCM-MRXNPFEDSA-N 1 1 345.443 3.006 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171644511 534094858 /nfs/dbraw/zinc/09/48/58/534094858.db2.gz NKFCCPNZEXKUDU-LSDHHAIUSA-N 1 1 326.400 3.485 10 5 EGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000183400664 527525793 /nfs/dbraw/zinc/52/57/93/527525793.db2.gz HFJZCNGGUCHHLS-BUHFOSPRSA-N 1 1 342.399 3.052 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000184198143 527814014 /nfs/dbraw/zinc/81/40/14/527814014.db2.gz KBTDBYQXAWUZAQ-IUAQFKCUSA-N 1 1 345.443 3.187 10 5 EGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000185433024 535772054 /nfs/dbraw/zinc/77/20/54/535772054.db2.gz HTXDODCGKRNIFU-FUHWJXTLSA-N 1 1 347.459 3.106 10 5 EGBEMO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872066232 1296712353 /nfs/dbraw/zinc/71/23/53/1296712353.db2.gz LCHDIRPJDKBWNI-QMMMGPOBSA-N 1 1 342.264 3.302 10 5 EGBEMO C[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000872067797 1296715445 /nfs/dbraw/zinc/71/54/45/1296715445.db2.gz CKVLGDPTABGNIP-GHMZBOCLSA-N 1 1 341.383 3.298 10 5 EGBEMO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872110596 1296736960 /nfs/dbraw/zinc/73/69/60/1296736960.db2.gz ZXYUFRMOCYWEBK-VIFPVBQESA-N 1 1 346.284 3.300 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000872259090 1296858172 /nfs/dbraw/zinc/85/81/72/1296858172.db2.gz LEMMLJMYUJTOMW-MRXNPFEDSA-N 1 1 349.387 3.427 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886617556 1303525727 /nfs/dbraw/zinc/52/57/27/1303525727.db2.gz RTBZVSIRDUEZFV-CFVMTHIKSA-N 1 1 344.333 3.293 10 5 EGBEMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nc1 ZINC000858038447 1328667822 /nfs/dbraw/zinc/66/78/22/1328667822.db2.gz MFTKSJKDXJDZNJ-MRXNPFEDSA-N 1 1 327.384 3.260 10 5 EGBEMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858559567 1328795713 /nfs/dbraw/zinc/79/57/13/1328795713.db2.gz NCMKJKVTXHIDGJ-GJZGRUSLSA-N 1 1 339.395 3.105 10 5 EGBEMO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924840188 1323183678 /nfs/dbraw/zinc/18/36/78/1323183678.db2.gz BIKOUANSYQRVLA-CYBMUJFWSA-N 1 1 331.372 3.248 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000924956309 1323227024 /nfs/dbraw/zinc/22/70/24/1323227024.db2.gz YPEKLECUYDFEGB-ZDUSSCGKSA-N 1 1 344.415 3.451 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000931674540 1329162010 /nfs/dbraw/zinc/16/20/10/1329162010.db2.gz AJKLDHVLTXSXBZ-UHFFFAOYSA-N 1 1 342.399 3.024 10 5 EGBEMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861772834 1329440902 /nfs/dbraw/zinc/44/09/02/1329440902.db2.gz BQDRLIXSXCMYKX-CYBMUJFWSA-N 1 1 329.400 3.207 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCCC4(CC4)CC3)n2)cc1 ZINC000863332001 1329547206 /nfs/dbraw/zinc/54/72/06/1329547206.db2.gz YMPXUFYBJVVHFI-UHFFFAOYSA-N 1 1 327.388 3.077 10 5 EGBEMO O=[N+]([O-])c1cc(CO)c(NC[C@H]2CC[N@H+]2C2CCCCC2)cc1F ZINC000865965705 1329755322 /nfs/dbraw/zinc/75/53/22/1329755322.db2.gz PCODUGXEJZPLLF-CQSZACIVSA-N 1 1 337.395 3.045 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC[C@H]21 ZINC000866205969 1330078348 /nfs/dbraw/zinc/07/83/48/1330078348.db2.gz PEBGBMYRYMFNAX-ZWNOBZJWSA-N 1 1 329.322 3.144 10 5 EGBEMO C[N@H+]1CC[C@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC[C@H]21 ZINC000866207710 1330078528 /nfs/dbraw/zinc/07/85/28/1330078528.db2.gz JBQUVMZBTNMRPT-XJKSGUPXSA-N 1 1 344.440 3.249 10 5 EGBEMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(N2CCCCC2)C1 ZINC000866350423 1330100567 /nfs/dbraw/zinc/10/05/67/1330100567.db2.gz BDPWWDUAIINWLT-NVPAJSRCSA-N 1 1 335.423 3.271 10 5 EGBEMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000866350423 1330100570 /nfs/dbraw/zinc/10/05/70/1330100570.db2.gz BDPWWDUAIINWLT-NVPAJSRCSA-N 1 1 335.423 3.271 10 5 EGBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001323325645 1387339136 /nfs/dbraw/zinc/33/91/36/1387339136.db2.gz YDCZLAUKGCSKOY-HUUCEWRRSA-N 1 1 347.394 3.116 10 5 EGBEMO Cc1cc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001323507502 1387378981 /nfs/dbraw/zinc/37/89/81/1387378981.db2.gz SVQNQIUQRIYVLG-UHFFFAOYSA-N 1 1 349.774 3.090 10 5 EGBEMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC001191101226 1367423810 /nfs/dbraw/zinc/42/38/10/1367423810.db2.gz VGAMAMQJRLGNJT-LSDHHAIUSA-N 1 1 338.452 3.015 10 5 EGBEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1(CC)CC ZINC001191821520 1367602205 /nfs/dbraw/zinc/60/22/05/1367602205.db2.gz NZRGHQOQUGGVCL-LSDHHAIUSA-N 1 1 338.452 3.015 10 5 EGBEMO Cc1ccc(F)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1F ZINC001119772526 1371402935 /nfs/dbraw/zinc/40/29/35/1371402935.db2.gz BHHOSLFIVCZBMC-UHFFFAOYSA-N 1 1 336.342 3.215 10 5 EGBEMO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001131096154 1373643617 /nfs/dbraw/zinc/64/36/17/1373643617.db2.gz QLHDREOPHHRAOO-AWEZNQCLSA-N 1 1 347.459 3.495 10 5 EGBEMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc([N+](=O)[O-])cc1F ZINC001163132522 1382972886 /nfs/dbraw/zinc/97/28/86/1382972886.db2.gz DESAAHZEJNIZPW-UHFFFAOYSA-N 1 1 327.319 3.235 10 5 EGBEMO C[N@@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001163929782 1383136813 /nfs/dbraw/zinc/13/68/13/1383136813.db2.gz NAWDHWSLQBBHDB-ZDUSSCGKSA-N 1 1 339.823 3.051 10 5 EGBEMO C[N@H+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001163929782 1383136814 /nfs/dbraw/zinc/13/68/14/1383136814.db2.gz NAWDHWSLQBBHDB-ZDUSSCGKSA-N 1 1 339.823 3.051 10 5 EGBEMO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167397396 1383622787 /nfs/dbraw/zinc/62/27/87/1383622787.db2.gz NKXIYGHEVLPABC-WBVHZDCISA-N 1 1 343.427 3.281 10 5 EGBEMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167475293 1383644925 /nfs/dbraw/zinc/64/49/25/1383644925.db2.gz ZFYYQTRSTRNVNI-SJORKVTESA-N 1 1 336.432 3.499 10 5 EGBEMO CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307547602 1384000675 /nfs/dbraw/zinc/00/06/75/1384000675.db2.gz DYTFCQPKGDLGHO-PBHICJAKSA-N 1 1 345.443 3.385 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001307973852 1384065761 /nfs/dbraw/zinc/06/57/61/1384065761.db2.gz JNFBSZWYPILHOU-FAAWYNLUSA-N 1 1 343.427 3.162 10 5 EGBEMO C/C=C\C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975167 1384067565 /nfs/dbraw/zinc/06/75/65/1384067565.db2.gz VCHBTFUJRMYVMX-NQHOJNORSA-N 1 1 347.415 3.220 10 5 EGBEMO C/C=C\C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975167 1384067571 /nfs/dbraw/zinc/06/75/71/1384067571.db2.gz VCHBTFUJRMYVMX-NQHOJNORSA-N 1 1 347.415 3.220 10 5 EGBEMO Cc1cc([C@@H]2CCCCN2CCOc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001308110395 1384094485 /nfs/dbraw/zinc/09/44/85/1384094485.db2.gz YJIIAEXWRUPOMZ-HNNXBMFYSA-N 1 1 330.388 3.232 10 5 EGBEMO Cc1cc([C@@H]2CCCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001308110395 1384094488 /nfs/dbraw/zinc/09/44/88/1384094488.db2.gz YJIIAEXWRUPOMZ-HNNXBMFYSA-N 1 1 330.388 3.232 10 5 EGBEMO Cc1cc([C@@H]2CCCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001308110395 1384094494 /nfs/dbraw/zinc/09/44/94/1384094494.db2.gz YJIIAEXWRUPOMZ-HNNXBMFYSA-N 1 1 330.388 3.232 10 5 EGBEMO O=C(C[N@H+]1CC=CC12CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001176995535 1385768113 /nfs/dbraw/zinc/76/81/13/1385768113.db2.gz MISZGFPGALAATJ-UHFFFAOYSA-N 1 1 341.411 3.059 10 5 EGBEMO C[N@H+]1C[C@@]23CN(Cc4c(F)cccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001177009136 1385772169 /nfs/dbraw/zinc/77/21/69/1385772169.db2.gz YOGLTOLTZHZWHP-HDICACEKSA-N 1 1 333.407 3.042 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@H](CCF)C3)c2)cc1 ZINC001350480450 1391469281 /nfs/dbraw/zinc/46/92/81/1391469281.db2.gz RVUJSECEOQVZHS-CQSZACIVSA-N 1 1 332.379 3.487 10 5 EGBEMO CC[N@@H+](CCCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001479837117 1392422613 /nfs/dbraw/zinc/42/26/13/1392422613.db2.gz CHPPAIGHDUUCEM-UHFFFAOYSA-N 1 1 341.477 3.421 10 5 EGBEMO CC[N@H+](CCCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001479837117 1392422610 /nfs/dbraw/zinc/42/26/10/1392422610.db2.gz CHPPAIGHDUUCEM-UHFFFAOYSA-N 1 1 341.477 3.421 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1occc1C)Cc1ccccc1[N+](=O)[O-] ZINC001689918690 1404208177 /nfs/dbraw/zinc/20/81/77/1404208177.db2.gz MLGFAQRECKMJBO-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO Cc1ccc(C(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC001699670633 1413060480 /nfs/dbraw/zinc/06/04/80/1413060480.db2.gz XBKKFGPWTRJEJI-UHFFFAOYSA-N 1 1 345.424 3.017 10 5 EGBEMO C=C/C(C)=C\CC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001732589722 1428809967 /nfs/dbraw/zinc/80/99/67/1428809967.db2.gz PFWRACRBHXAWBI-UUASQNMZSA-N 1 1 331.416 3.007 10 5 EGBEMO CC/C=C(/C)C(=O)NCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701045287 1414702311 /nfs/dbraw/zinc/70/23/11/1414702311.db2.gz HNZPSKZEJKCLSB-UUASQNMZSA-N 1 1 343.427 3.199 10 5 EGBEMO CC/C=C(/C)C(=O)NCC1=CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001701045287 1414702317 /nfs/dbraw/zinc/70/23/17/1414702317.db2.gz HNZPSKZEJKCLSB-UUASQNMZSA-N 1 1 343.427 3.199 10 5 EGBEMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCCC1 ZINC001715511521 1420195722 /nfs/dbraw/zinc/19/57/22/1420195722.db2.gz UXTDPESASLIHQI-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCCC1 ZINC001715511521 1420195724 /nfs/dbraw/zinc/19/57/24/1420195724.db2.gz UXTDPESASLIHQI-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC=CCC1 ZINC001715537187 1420232801 /nfs/dbraw/zinc/23/28/01/1420232801.db2.gz PWFUOVJDAUYAEV-UHFFFAOYSA-N 1 1 345.443 3.231 10 5 EGBEMO Cc1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000092812573 218169568 /nfs/dbraw/zinc/16/95/68/218169568.db2.gz AVQHJAXVDVBLRY-INIZCTEOSA-N 1 1 326.400 3.232 10 5 EGBEMO COc1cc(OC)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000119707079 221382853 /nfs/dbraw/zinc/38/28/53/221382853.db2.gz WOKYOZBPOPXAKT-GFCCVEGCSA-N 1 1 346.383 3.471 10 5 EGBEMO CN(C)c1cc[nH+]c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000361638596 144341322 /nfs/dbraw/zinc/34/13/22/144341322.db2.gz CELKVLRFELZBBU-UHFFFAOYSA-N 1 1 339.355 3.323 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)C1CCOCC1 ZINC000119645228 152219829 /nfs/dbraw/zinc/21/98/29/152219829.db2.gz CYYBSINKRUSFGR-UHFFFAOYSA-N 1 1 349.431 3.121 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000125727265 162285809 /nfs/dbraw/zinc/28/58/09/162285809.db2.gz PUDKIDKWGBRLKG-JSGCOSHPSA-N 1 1 334.420 3.062 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccco1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000343818430 164042036 /nfs/dbraw/zinc/04/20/36/164042036.db2.gz VWILDNYECDLGRK-UHFFFAOYSA-N 1 1 343.387 3.022 10 5 EGBEMO COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000355196069 166129143 /nfs/dbraw/zinc/12/91/43/166129143.db2.gz HABLBWNPQXHRAD-KOLCDFICSA-N 1 1 348.321 3.385 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000355196069 166129145 /nfs/dbraw/zinc/12/91/45/166129145.db2.gz HABLBWNPQXHRAD-KOLCDFICSA-N 1 1 348.321 3.385 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355220485 166138211 /nfs/dbraw/zinc/13/82/11/166138211.db2.gz LIMPEXOTIKILLO-GJZGRUSLSA-N 1 1 334.416 3.242 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000359096905 167065787 /nfs/dbraw/zinc/06/57/87/167065787.db2.gz LEGCGGVHCPIJLU-DOTOQJQBSA-N 1 1 326.400 3.464 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278412146 268006846 /nfs/dbraw/zinc/00/68/46/268006846.db2.gz QDZSMNNBFHKUPY-JSGCOSHPSA-N 1 1 332.322 3.038 10 5 EGBEMO Cc1nc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000282012758 275596051 /nfs/dbraw/zinc/59/60/51/275596051.db2.gz VGLKOFPJIDKFGI-AWEZNQCLSA-N 1 1 341.415 3.215 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000367542588 278035747 /nfs/dbraw/zinc/03/57/47/278035747.db2.gz QLDLBLFGZKCZNT-RDJZCZTQSA-N 1 1 345.443 3.209 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000359088662 280399268 /nfs/dbraw/zinc/39/92/68/280399268.db2.gz AEBXDNUCKXFTKG-GDBMZVCRSA-N 1 1 330.432 3.060 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000359098730 301203887 /nfs/dbraw/zinc/20/38/87/301203887.db2.gz BADMJGYZMFGREC-MRXNPFEDSA-N 1 1 326.400 3.100 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000359098730 301203890 /nfs/dbraw/zinc/20/38/90/301203890.db2.gz BADMJGYZMFGREC-MRXNPFEDSA-N 1 1 326.400 3.100 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248832775 302039749 /nfs/dbraw/zinc/03/97/49/302039749.db2.gz MSEFHJACZFAZOS-YJBOKZPZSA-N 1 1 339.395 3.078 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000248451341 308003613 /nfs/dbraw/zinc/00/36/13/308003613.db2.gz JBYBGKVHQQZZLY-VQIMIIECSA-N 1 1 346.427 3.157 10 5 EGBEMO CCOCC[N@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000255144653 308042184 /nfs/dbraw/zinc/04/21/84/308042184.db2.gz LRIXPKVNFYTEIE-CNRGFGOASA-N 1 1 347.459 3.041 10 5 EGBEMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1)OCO2 ZINC000444673065 309925226 /nfs/dbraw/zinc/92/52/26/309925226.db2.gz MHWOBWZTJDQFPI-SNVBAGLBSA-N 1 1 340.339 3.051 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449665800 310079015 /nfs/dbraw/zinc/07/90/15/310079015.db2.gz DCTSXJGNGOYAAC-BWVWPTMKSA-N 1 1 344.333 3.243 10 5 EGBEMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000450361524 310117872 /nfs/dbraw/zinc/11/78/72/310117872.db2.gz FQSVPJXWKZYXMK-KRWDZBQOSA-N 1 1 340.427 3.338 10 5 EGBEMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451357324 310173908 /nfs/dbraw/zinc/17/39/08/310173908.db2.gz YPXVPFPWLRFQER-INMHGKMJSA-N 1 1 334.416 3.119 10 5 EGBEMO CCOC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000536696250 314139074 /nfs/dbraw/zinc/13/90/74/314139074.db2.gz YHHHDJWCCJKHET-VQHVLOKHSA-N 1 1 332.400 3.416 10 5 EGBEMO CCOC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000536696250 314139078 /nfs/dbraw/zinc/13/90/78/314139078.db2.gz YHHHDJWCCJKHET-VQHVLOKHSA-N 1 1 332.400 3.416 10 5 EGBEMO CCC[N@H+]1CCC[C@H]1c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000350645604 324110880 /nfs/dbraw/zinc/11/08/80/324110880.db2.gz RRVJPFXFDAEMBX-AWEZNQCLSA-N 1 1 346.387 3.124 10 5 EGBEMO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000174041733 455354058 /nfs/dbraw/zinc/35/40/58/455354058.db2.gz PDFWYICYZGVEGC-LRDDRELGSA-N 1 1 343.383 3.260 10 5 EGBEMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000174041733 455354063 /nfs/dbraw/zinc/35/40/63/455354063.db2.gz PDFWYICYZGVEGC-LRDDRELGSA-N 1 1 343.383 3.260 10 5 EGBEMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1Cc2ccccc2C1 ZINC000069418298 454103165 /nfs/dbraw/zinc/10/31/65/454103165.db2.gz HHGFEQJBXBRAQZ-UHFFFAOYSA-N 1 1 340.379 3.061 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000072802356 454342890 /nfs/dbraw/zinc/34/28/90/454342890.db2.gz IHJKCEHZDXDTHT-CZUORRHYSA-N 1 1 328.368 3.428 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000091686372 454457960 /nfs/dbraw/zinc/45/79/60/454457960.db2.gz SZXQLHZABSQBPY-MQVJKMGUSA-N 1 1 345.443 3.265 10 5 EGBEMO Cc1c(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000123587964 454655588 /nfs/dbraw/zinc/65/55/88/454655588.db2.gz SDIATDYJUZHUFX-CVEARBPZSA-N 1 1 336.457 3.390 10 5 EGBEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000105851450 454659067 /nfs/dbraw/zinc/65/90/67/454659067.db2.gz TYVZYZPEGONRBD-CQSZACIVSA-N 1 1 342.399 3.139 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105894716 454664883 /nfs/dbraw/zinc/66/48/83/454664883.db2.gz XBQHXWFYTUEMEK-INIZCTEOSA-N 1 1 344.415 3.291 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105894716 454664888 /nfs/dbraw/zinc/66/48/88/454664888.db2.gz XBQHXWFYTUEMEK-INIZCTEOSA-N 1 1 344.415 3.291 10 5 EGBEMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176286635 454724188 /nfs/dbraw/zinc/72/41/88/454724188.db2.gz MZBSOHTYFLRTAT-UKRRQHHQSA-N 1 1 332.404 3.420 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176724620 454775553 /nfs/dbraw/zinc/77/55/53/454775553.db2.gz OAKDVZVVIQJQRR-HOCLYGCPSA-N 1 1 348.447 3.090 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000152136205 455077725 /nfs/dbraw/zinc/07/77/25/455077725.db2.gz CELUFOCCWZWNFA-LBPRGKRZSA-N 1 1 333.417 3.031 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000152136205 455077728 /nfs/dbraw/zinc/07/77/28/455077728.db2.gz CELUFOCCWZWNFA-LBPRGKRZSA-N 1 1 333.417 3.031 10 5 EGBEMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181902475 455396690 /nfs/dbraw/zinc/39/66/90/455396690.db2.gz QXFKVGDIUMYWMK-LBPRGKRZSA-N 1 1 341.346 3.165 10 5 EGBEMO COc1cccc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246989180 455541101 /nfs/dbraw/zinc/54/11/01/455541101.db2.gz KCLNUANNGXOZNW-DZGCQCFKSA-N 1 1 342.399 3.246 10 5 EGBEMO C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@@H+](C)C1CC1 ZINC000277794530 455668501 /nfs/dbraw/zinc/66/85/01/455668501.db2.gz VRHMRHYAFBMQNG-CYBMUJFWSA-N 1 1 349.434 3.306 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277830019 455678903 /nfs/dbraw/zinc/67/89/03/455678903.db2.gz RLUWNUZESAQHBC-GYSYKLTISA-N 1 1 332.322 3.291 10 5 EGBEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)no1 ZINC000195518236 455976806 /nfs/dbraw/zinc/97/68/06/455976806.db2.gz WIZOHHATCCSNMU-CQSZACIVSA-N 1 1 330.388 3.049 10 5 EGBEMO Cc1cnc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908900 456248124 /nfs/dbraw/zinc/24/81/24/456248124.db2.gz RNJDHYLDVYETJQ-HOCLYGCPSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cnc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908900 456248129 /nfs/dbraw/zinc/24/81/29/456248129.db2.gz RNJDHYLDVYETJQ-HOCLYGCPSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908898 456248754 /nfs/dbraw/zinc/24/87/54/456248754.db2.gz RNJDHYLDVYETJQ-GDBMZVCRSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cnc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908898 456248756 /nfs/dbraw/zinc/24/87/56/456248756.db2.gz RNJDHYLDVYETJQ-GDBMZVCRSA-N 1 1 348.353 3.434 10 5 EGBEMO CC(C)Oc1ccccc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347780229 456363666 /nfs/dbraw/zinc/36/36/66/456363666.db2.gz FVKRGKHSTOBYIE-UHFFFAOYSA-N 1 1 327.384 3.335 10 5 EGBEMO CC(C)Oc1ccccc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347780229 456363671 /nfs/dbraw/zinc/36/36/71/456363671.db2.gz FVKRGKHSTOBYIE-UHFFFAOYSA-N 1 1 327.384 3.335 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000326716496 456697866 /nfs/dbraw/zinc/69/78/66/456697866.db2.gz PRZIOZUDFJIFLD-ZACQAIPSSA-N 1 1 334.416 3.119 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000326716493 456698540 /nfs/dbraw/zinc/69/85/40/456698540.db2.gz PRZIOZUDFJIFLD-BBWFWOEESA-N 1 1 334.416 3.119 10 5 EGBEMO CC1(C)C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617214 456806336 /nfs/dbraw/zinc/80/63/36/456806336.db2.gz CNLWPPQZFFVMEB-APPDUMDISA-N 1 1 326.400 3.187 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000359088664 457052041 /nfs/dbraw/zinc/05/20/41/457052041.db2.gz AEBXDNUCKXFTKG-GOEBONIOSA-N 1 1 330.432 3.060 10 5 EGBEMO Cc1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn2cc[nH+]c12 ZINC000355471746 457378436 /nfs/dbraw/zinc/37/84/36/457378436.db2.gz ITXOZLAYOVUDKL-UHFFFAOYSA-N 1 1 335.323 3.285 10 5 EGBEMO CCc1ccc(C[NH+]2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)s1 ZINC000360874492 457399205 /nfs/dbraw/zinc/39/92/05/457399205.db2.gz VNBLGSMIFBCPGC-UHFFFAOYSA-N 1 1 346.456 3.244 10 5 EGBEMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)c1c[nH]c2ccccc12 ZINC000352562315 457467887 /nfs/dbraw/zinc/46/78/87/457467887.db2.gz JJHMIFJJBMEWLH-UHFFFAOYSA-N 1 1 337.379 3.433 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)c1c[nH]c2ccccc12 ZINC000352562315 457467893 /nfs/dbraw/zinc/46/78/93/457467893.db2.gz JJHMIFJJBMEWLH-UHFFFAOYSA-N 1 1 337.379 3.433 10 5 EGBEMO CC(C)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000425450157 457559085 /nfs/dbraw/zinc/55/90/85/457559085.db2.gz UTBKJNCRJSRTIU-ZDUSSCGKSA-N 1 1 343.221 3.357 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000370724311 457706898 /nfs/dbraw/zinc/70/68/98/457706898.db2.gz KOPIBAMEHXMZLT-HNNXBMFYSA-N 1 1 327.384 3.063 10 5 EGBEMO CC[C@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458493393 458069225 /nfs/dbraw/zinc/06/92/25/458069225.db2.gz GSCICTIWNKUSCG-PBHICJAKSA-N 1 1 348.447 3.077 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000430199691 458419859 /nfs/dbraw/zinc/41/98/59/458419859.db2.gz DKDRBACJPDWPJH-SCLBCKFNSA-N 1 1 342.395 3.427 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459702355 458451759 /nfs/dbraw/zinc/45/17/59/458451759.db2.gz OQEFWPQLLWYUDN-GOEBONIOSA-N 1 1 348.424 3.328 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437853898 458502754 /nfs/dbraw/zinc/50/27/54/458502754.db2.gz PJVPOYQBXUUFPY-QGZVFWFLSA-N 1 1 345.443 3.430 10 5 EGBEMO CCc1cccc(F)c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474280636 458874445 /nfs/dbraw/zinc/87/44/45/458874445.db2.gz OCOXOKSSZRZMFI-AWEZNQCLSA-N 1 1 344.390 3.378 10 5 EGBEMO C[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589407 459101313 /nfs/dbraw/zinc/10/13/13/459101313.db2.gz JLUNNMGTSCGWRQ-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000594709778 459136510 /nfs/dbraw/zinc/13/65/10/459136510.db2.gz HUSPDQHCTKMJSU-SECBINFHSA-N 1 1 326.278 3.254 10 5 EGBEMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000594925148 459178355 /nfs/dbraw/zinc/17/83/55/459178355.db2.gz LJEOCQZBCSCVMC-VIFPVBQESA-N 1 1 328.294 3.198 10 5 EGBEMO COc1ccc(CNCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000521813804 459178605 /nfs/dbraw/zinc/17/86/05/459178605.db2.gz ADTMHWANIQTWIM-GASCZTMLSA-N 1 1 349.475 3.450 10 5 EGBEMO COc1ccc(C[NH2+]CC(C)(C)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000521813804 459178615 /nfs/dbraw/zinc/17/86/15/459178615.db2.gz ADTMHWANIQTWIM-GASCZTMLSA-N 1 1 349.475 3.450 10 5 EGBEMO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041404 459225725 /nfs/dbraw/zinc/22/57/25/459225725.db2.gz PSXNVPFDKWTSTF-NWDGAFQWSA-N 1 1 331.372 3.419 10 5 EGBEMO O=[N+]([O-])c1cc2c(nc1NCCc1cn3c([nH+]1)CCCC3)CCCC2 ZINC000582543478 459383190 /nfs/dbraw/zinc/38/31/90/459383190.db2.gz ITEVETUMSIWRRL-UHFFFAOYSA-N 1 1 341.415 3.056 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C2CCC2)CC1 ZINC000595659118 459387970 /nfs/dbraw/zinc/38/79/70/459387970.db2.gz KPKOUQNVIKDBLU-UHFFFAOYSA-N 1 1 347.415 3.054 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[C@H]1O ZINC000595731880 459417663 /nfs/dbraw/zinc/41/76/63/459417663.db2.gz HSZWUIPZQNEGFG-MSRIBSCDSA-N 1 1 332.322 3.062 10 5 EGBEMO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[C@H]1O ZINC000595731880 459417664 /nfs/dbraw/zinc/41/76/64/459417664.db2.gz HSZWUIPZQNEGFG-MSRIBSCDSA-N 1 1 332.322 3.062 10 5 EGBEMO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000595741779 459421122 /nfs/dbraw/zinc/42/11/22/459421122.db2.gz ZFAVZDMXTKVXQA-MGPQQGTHSA-N 1 1 338.429 3.210 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000595741779 459421126 /nfs/dbraw/zinc/42/11/26/459421126.db2.gz ZFAVZDMXTKVXQA-MGPQQGTHSA-N 1 1 338.429 3.210 10 5 EGBEMO COc1ccc(OCC[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595755155 459427095 /nfs/dbraw/zinc/42/70/95/459427095.db2.gz HHIPVBVXUALVOT-CYBMUJFWSA-N 1 1 326.368 3.054 10 5 EGBEMO CC[C@@H](NC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451755 459640965 /nfs/dbraw/zinc/64/09/65/459640965.db2.gz ARMFQOINDCSRCB-DLBZAZTESA-N 1 1 348.447 3.172 10 5 EGBEMO CC[C@H](NC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451757 459641503 /nfs/dbraw/zinc/64/15/03/459641503.db2.gz ARMFQOINDCSRCB-IRXDYDNUSA-N 1 1 348.447 3.172 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000585793125 459848848 /nfs/dbraw/zinc/84/88/48/459848848.db2.gz CCRFVZRHCWOWGB-UYWPIULCSA-N 1 1 340.383 3.358 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)cs2)c1 ZINC000597231241 459885323 /nfs/dbraw/zinc/88/53/23/459885323.db2.gz OXPPGRBZSDROSC-KGLIPLIRSA-N 1 1 345.424 3.187 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598466187 459904504 /nfs/dbraw/zinc/90/45/04/459904504.db2.gz NFEUBDXRHMQQPK-UHFFFAOYSA-N 1 1 327.812 3.098 10 5 EGBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000593727033 459965430 /nfs/dbraw/zinc/96/54/30/459965430.db2.gz ASDNMJAKOMWSHR-KRWDZBQOSA-N 1 1 347.802 3.100 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598677217 459988472 /nfs/dbraw/zinc/98/84/72/459988472.db2.gz NGDDOYIYPUVMLS-GXTWGEPZSA-N 1 1 336.342 3.053 10 5 EGBEMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000599672509 460305021 /nfs/dbraw/zinc/30/50/21/460305021.db2.gz IELZKFNCPUJOGI-AWEZNQCLSA-N 1 1 331.416 3.496 10 5 EGBEMO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599674438 460305590 /nfs/dbraw/zinc/30/55/90/460305590.db2.gz HILZOZLEGJRALC-ZBEGNZNMSA-N 1 1 337.807 3.451 10 5 EGBEMO C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599674438 460305593 /nfs/dbraw/zinc/30/55/93/460305593.db2.gz HILZOZLEGJRALC-ZBEGNZNMSA-N 1 1 337.807 3.451 10 5 EGBEMO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611521532 460386247 /nfs/dbraw/zinc/38/62/47/460386247.db2.gz QMHVPXFVDYJPPC-MLGOLLRUSA-N 1 1 332.379 3.175 10 5 EGBEMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611521532 460386252 /nfs/dbraw/zinc/38/62/52/460386252.db2.gz QMHVPXFVDYJPPC-MLGOLLRUSA-N 1 1 332.379 3.175 10 5 EGBEMO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1c(C)nn(C)c1C ZINC000347912916 535922133 /nfs/dbraw/zinc/92/21/33/535922133.db2.gz MVRLOIGJUJWXJC-ZDUSSCGKSA-N 1 1 343.387 3.327 10 5 EGBEMO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872024188 1296670265 /nfs/dbraw/zinc/67/02/65/1296670265.db2.gz OYVCELHPRKKEBS-ZDUSSCGKSA-N 1 1 345.374 3.123 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)nc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309561556 1297073908 /nfs/dbraw/zinc/07/39/08/1297073908.db2.gz RLUQRORXCUSTIB-CYBMUJFWSA-N 1 1 333.775 3.297 10 5 EGBEMO CC(=O)c1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000310598712 1297096803 /nfs/dbraw/zinc/09/68/03/1297096803.db2.gz OJTRDANIUWGTKQ-KRWDZBQOSA-N 1 1 340.379 3.451 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)o2)c(Cl)c1 ZINC000895651332 1309448317 /nfs/dbraw/zinc/44/83/17/1309448317.db2.gz ZZLDZCWTIVXZSM-QFYYESIMSA-N 1 1 334.759 3.075 10 5 EGBEMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898463276 1310744885 /nfs/dbraw/zinc/74/48/85/1310744885.db2.gz XJSJXCKDDWKGAV-ZDUSSCGKSA-N 1 1 342.399 3.346 10 5 EGBEMO Cc1[nH]c(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)[nH+]c1C ZINC000899504197 1317058758 /nfs/dbraw/zinc/05/87/58/1317058758.db2.gz IQSVOCKNMUCFHG-UHFFFAOYSA-N 1 1 348.428 3.324 10 5 EGBEMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859409388 1328983512 /nfs/dbraw/zinc/98/35/12/1328983512.db2.gz QFAFRKJMWKTGLE-CQSZACIVSA-N 1 1 341.411 3.162 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@H+]1C ZINC000859560480 1329017969 /nfs/dbraw/zinc/01/79/69/1329017969.db2.gz HKKSXCWAXTZUOK-HIFRSBDPSA-N 1 1 341.411 3.303 10 5 EGBEMO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054003 1329135663 /nfs/dbraw/zinc/13/56/63/1329135663.db2.gz FNEPSUKEBTXDNI-GHMZBOCLSA-N 1 1 334.401 3.038 10 5 EGBEMO COc1cc(OC)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000865787728 1329738637 /nfs/dbraw/zinc/73/86/37/1329738637.db2.gz SCCTUBMOWIETQL-UHFFFAOYSA-N 1 1 334.347 3.349 10 5 EGBEMO COc1ccc(CC(=O)OCc2c(C)cc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000869382214 1330477911 /nfs/dbraw/zinc/47/79/11/1330477911.db2.gz WMYSEZMUKJRPSV-UHFFFAOYSA-N 1 1 344.367 3.210 10 5 EGBEMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC001191101222 1367424062 /nfs/dbraw/zinc/42/40/62/1367424062.db2.gz VGAMAMQJRLGNJT-CABCVRRESA-N 1 1 338.452 3.015 10 5 EGBEMO CC(C)(C)C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001195213856 1368402543 /nfs/dbraw/zinc/40/25/43/1368402543.db2.gz KJIMVWOETAKVNJ-AWEZNQCLSA-N 1 1 345.443 3.242 10 5 EGBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001195307717 1368418032 /nfs/dbraw/zinc/41/80/32/1368418032.db2.gz VUQRFRQAIYUMFW-ZFWWWQNUSA-N 1 1 331.416 3.434 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001124332830 1372692861 /nfs/dbraw/zinc/69/28/61/1372692861.db2.gz PJNUOIQBVLPEGF-UHFFFAOYSA-N 1 1 337.339 3.045 10 5 EGBEMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001163437102 1383051455 /nfs/dbraw/zinc/05/14/55/1383051455.db2.gz KKVAHZOJVRXBHV-ZDUSSCGKSA-N 1 1 337.420 3.222 10 5 EGBEMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001167765542 1383736112 /nfs/dbraw/zinc/73/61/12/1383736112.db2.gz FRWMVKGSQAOAEB-DLBZAZTESA-N 1 1 336.432 3.499 10 5 EGBEMO COc1cc(C[N@@H+]2CCCC[C@]23CCCOC3)c([N+](=O)[O-])cc1F ZINC001177007651 1385771031 /nfs/dbraw/zinc/77/10/31/1385771031.db2.gz BYLHHFHNTXRWFV-QGZVFWFLSA-N 1 1 338.379 3.278 10 5 EGBEMO COc1cc(C[N@H+]2CCCC[C@]23CCCOC3)c([N+](=O)[O-])cc1F ZINC001177007651 1385771039 /nfs/dbraw/zinc/77/10/39/1385771039.db2.gz BYLHHFHNTXRWFV-QGZVFWFLSA-N 1 1 338.379 3.278 10 5 EGBEMO CCCC(=O)NCc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001698714167 1406356980 /nfs/dbraw/zinc/35/69/80/1406356980.db2.gz CMGRUDNVKYOKGE-UHFFFAOYSA-N 1 1 347.440 3.362 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1cscc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691014107 1404929890 /nfs/dbraw/zinc/92/98/90/1404929890.db2.gz IZUGWBZTGNOUFC-UHFFFAOYSA-N 1 1 347.440 3.217 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC1CCCC1 ZINC001715508494 1420192177 /nfs/dbraw/zinc/19/21/77/1420192177.db2.gz FLTFMCRWFWRVAP-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CCC[N@H+](CCNC(=O)C1(C)CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001731868908 1428120524 /nfs/dbraw/zinc/12/05/24/1428120524.db2.gz KEECZUXENRUVCV-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CCC[N@@H+](CCNC(=O)C1(C)CC=CC1)Cc1ccccc1[N+](=O)[O-] ZINC001731868908 1428120525 /nfs/dbraw/zinc/12/05/25/1428120525.db2.gz KEECZUXENRUVCV-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101910750 219171608 /nfs/dbraw/zinc/17/16/08/219171608.db2.gz UJTAUMFQYNODGL-LSDHHAIUSA-N 1 1 333.432 3.140 10 5 EGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000105851985 219560875 /nfs/dbraw/zinc/56/08/75/219560875.db2.gz VPAUSDHBVABTNH-AWEZNQCLSA-N 1 1 342.399 3.139 10 5 EGBEMO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000095432619 218374866 /nfs/dbraw/zinc/37/48/66/218374866.db2.gz OYUDLQAAKLVWSD-CVEARBPZSA-N 1 1 348.424 3.320 10 5 EGBEMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000095432619 218374868 /nfs/dbraw/zinc/37/48/68/218374868.db2.gz OYUDLQAAKLVWSD-CVEARBPZSA-N 1 1 348.424 3.320 10 5 EGBEMO Cc1sc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153923370 224176669 /nfs/dbraw/zinc/17/66/69/224176669.db2.gz FZXYLALGSJTKTJ-GXTWGEPZSA-N 1 1 349.456 3.054 10 5 EGBEMO COc1cccc([C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119195983 221263968 /nfs/dbraw/zinc/26/39/68/221263968.db2.gz NSEPTJHIVXEXQL-LJQANCHMSA-N 1 1 342.395 3.219 10 5 EGBEMO COc1cccc([C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000119195983 221263972 /nfs/dbraw/zinc/26/39/72/221263972.db2.gz NSEPTJHIVXEXQL-LJQANCHMSA-N 1 1 342.395 3.219 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000123456746 140891508 /nfs/dbraw/zinc/89/15/08/140891508.db2.gz GIWPNAPKQRCTGZ-CQSZACIVSA-N 1 1 343.374 3.112 10 5 EGBEMO Cc1ccnc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000363788277 144366986 /nfs/dbraw/zinc/36/69/86/144366986.db2.gz BISOIHSYDBOAQE-UHFFFAOYSA-N 1 1 330.363 3.212 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000193835062 153308927 /nfs/dbraw/zinc/30/89/27/153308927.db2.gz RUQBVQKXIFUUEK-OAHLLOKOSA-N 1 1 342.355 3.189 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000193835062 153308933 /nfs/dbraw/zinc/30/89/33/153308933.db2.gz RUQBVQKXIFUUEK-OAHLLOKOSA-N 1 1 342.355 3.189 10 5 EGBEMO Cc1sc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000110356467 162125202 /nfs/dbraw/zinc/12/52/02/162125202.db2.gz HKNXZDNYXNWEJM-LBPRGKRZSA-N 1 1 347.440 3.215 10 5 EGBEMO COCC[N@H+]1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338282230 163205824 /nfs/dbraw/zinc/20/58/24/163205824.db2.gz LMDRCIKNQSUZCS-LBPRGKRZSA-N 1 1 347.337 3.136 10 5 EGBEMO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCCC[C@H]1C ZINC000338873845 163369836 /nfs/dbraw/zinc/36/98/36/163369836.db2.gz WHTKOAPLDCYYQO-OLZOCXBDSA-N 1 1 344.415 3.069 10 5 EGBEMO Cn1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000345819398 164271610 /nfs/dbraw/zinc/27/16/10/164271610.db2.gz PRNCMWZFFCZKEQ-UHFFFAOYSA-N 1 1 328.397 3.347 10 5 EGBEMO COc1ccccc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352298585 165330030 /nfs/dbraw/zinc/33/00/30/165330030.db2.gz ZAOVLVRMJWNSHU-NSHDSACASA-N 1 1 326.356 3.331 10 5 EGBEMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000359850185 167248635 /nfs/dbraw/zinc/24/86/35/167248635.db2.gz JTLLGGBQKHZKAE-KRWDZBQOSA-N 1 1 326.400 3.312 10 5 EGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000122870638 222175463 /nfs/dbraw/zinc/17/54/63/222175463.db2.gz KHXSOCWBKHYKOI-MRXNPFEDSA-N 1 1 328.416 3.499 10 5 EGBEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000193637629 266049804 /nfs/dbraw/zinc/04/98/04/266049804.db2.gz GRKABLDTDALMRH-SNVBAGLBSA-N 1 1 337.763 3.439 10 5 EGBEMO O=C1[C@H]([N@@H+]2CCC[C@@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000116297772 275189373 /nfs/dbraw/zinc/18/93/73/275189373.db2.gz DVQCGHQEHKHDLJ-HZPDHXFCSA-N 1 1 341.367 3.130 10 5 EGBEMO O=C1[C@H]([N@H+]2CCC[C@@H]2c2ccco2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000116297772 275189374 /nfs/dbraw/zinc/18/93/74/275189374.db2.gz DVQCGHQEHKHDLJ-HZPDHXFCSA-N 1 1 341.367 3.130 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286636944 276026115 /nfs/dbraw/zinc/02/61/15/276026115.db2.gz SUTHWJBYISJRCY-QKCSRTOESA-N 1 1 332.322 3.149 10 5 EGBEMO COCCC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000289379055 276330277 /nfs/dbraw/zinc/33/02/77/276330277.db2.gz CELARWNRAQXZBV-UHFFFAOYSA-N 1 1 329.400 3.337 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] ZINC000367542587 278035759 /nfs/dbraw/zinc/03/57/59/278035759.db2.gz QLDLBLFGZKCZNT-DOTOQJQBSA-N 1 1 345.443 3.209 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000248451338 308003722 /nfs/dbraw/zinc/00/37/22/308003722.db2.gz JBYBGKVHQQZZLY-QFBILLFUSA-N 1 1 346.427 3.157 10 5 EGBEMO CC(C)c1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000414549306 309088182 /nfs/dbraw/zinc/08/81/82/309088182.db2.gz LAPKXSMHJNKGDD-UHFFFAOYSA-N 1 1 340.423 3.464 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000421486238 309326817 /nfs/dbraw/zinc/32/68/17/309326817.db2.gz WZHLOVFMIXJUSD-ZBFHGGJFSA-N 1 1 333.432 3.014 10 5 EGBEMO CC[C@H](NCCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423192508 309389956 /nfs/dbraw/zinc/38/99/56/309389956.db2.gz VOBOCINREWCIFW-SFHVURJKSA-N 1 1 328.416 3.210 10 5 EGBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449425654 310060983 /nfs/dbraw/zinc/06/09/83/310060983.db2.gz QEPXDBMHTYVQAT-CZUORRHYSA-N 1 1 330.384 3.448 10 5 EGBEMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449429884 310061246 /nfs/dbraw/zinc/06/12/46/310061246.db2.gz VIEPXGVAWRRBMV-BBRMVZONSA-N 1 1 347.440 3.311 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449741605 310083533 /nfs/dbraw/zinc/08/35/33/310083533.db2.gz LEZYLQTYYQKYCC-XIRDDKMYSA-N 1 1 326.400 3.053 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000451352328 310173706 /nfs/dbraw/zinc/17/37/06/310173706.db2.gz KQZKXTVATXFJFR-VUCTXSBTSA-N 1 1 340.370 3.389 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000451352328 310173707 /nfs/dbraw/zinc/17/37/07/310173707.db2.gz KQZKXTVATXFJFR-VUCTXSBTSA-N 1 1 340.370 3.389 10 5 EGBEMO COc1cccc2c1CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000489439870 311105925 /nfs/dbraw/zinc/10/59/25/311105925.db2.gz AQUXFRIGNQWGFY-UHFFFAOYSA-N 1 1 342.395 3.083 10 5 EGBEMO COc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000541769807 314487195 /nfs/dbraw/zinc/48/71/95/314487195.db2.gz OGMRIIMGHKTOQV-UHFFFAOYSA-N 1 1 341.411 3.234 10 5 EGBEMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000553343546 315259343 /nfs/dbraw/zinc/25/93/43/315259343.db2.gz SSQFBEDTJXOAET-HNNXBMFYSA-N 1 1 346.818 3.006 10 5 EGBEMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1Cc1ccccc1 ZINC000553343546 315259345 /nfs/dbraw/zinc/25/93/45/315259345.db2.gz SSQFBEDTJXOAET-HNNXBMFYSA-N 1 1 346.818 3.006 10 5 EGBEMO Cc1cc(NCCc2[nH+]ccn2C)c(Br)cc1[N+](=O)[O-] ZINC000235891907 456153969 /nfs/dbraw/zinc/15/39/69/456153969.db2.gz LSGNIHOXVYYICO-UHFFFAOYSA-N 1 1 339.193 3.054 10 5 EGBEMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000425441137 457553612 /nfs/dbraw/zinc/55/36/12/457553612.db2.gz HTTOVMSQHPXASC-JOCQHMNTSA-N 1 1 343.221 3.093 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cs1 ZINC000069816479 454148441 /nfs/dbraw/zinc/14/84/41/454148441.db2.gz OCMHPKAXWBEXDW-UHFFFAOYSA-N 1 1 343.412 3.079 10 5 EGBEMO Cc1ccc(OCC[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000058563422 454214813 /nfs/dbraw/zinc/21/48/13/454214813.db2.gz RBSPIIFNUUPFBJ-UHFFFAOYSA-N 1 1 330.384 3.293 10 5 EGBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091629092 454453381 /nfs/dbraw/zinc/45/33/81/454453381.db2.gz ACMXNHAUZIFSJX-AWEZNQCLSA-N 1 1 344.390 3.321 10 5 EGBEMO COc1ccc(C[N@@H+](C)CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000051500605 454627772 /nfs/dbraw/zinc/62/77/72/454627772.db2.gz SZSAYQLGJRKZBH-UHFFFAOYSA-N 1 1 330.384 3.423 10 5 EGBEMO CCc1nccn1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000106212465 454686842 /nfs/dbraw/zinc/68/68/42/454686842.db2.gz GKVXOCYQXVNHRQ-INIZCTEOSA-N 1 1 344.415 3.070 10 5 EGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176765631 454780048 /nfs/dbraw/zinc/78/00/48/454780048.db2.gz GMOOJWBZSQQTMW-OAHLLOKOSA-N 1 1 343.387 3.105 10 5 EGBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172055159 455114169 /nfs/dbraw/zinc/11/41/69/455114169.db2.gz GNHUWKSQDQGBTA-BXUZGUMPSA-N 1 1 345.424 3.118 10 5 EGBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180122526 455135504 /nfs/dbraw/zinc/13/55/04/455135504.db2.gz AIICQQSRKUISSK-PFWMLDTASA-N 1 1 326.400 3.278 10 5 EGBEMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000180154647 455140663 /nfs/dbraw/zinc/14/06/63/455140663.db2.gz PJEUIEBXSRCTIV-SJLPKXTDSA-N 1 1 339.395 3.078 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180171212 455144291 /nfs/dbraw/zinc/14/42/91/455144291.db2.gz HQLVUCFTARCWEL-ZWKOTPCHSA-N 1 1 339.395 3.078 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245872753 455389723 /nfs/dbraw/zinc/38/97/23/455389723.db2.gz MGTHXJFCGQXCMC-STQMWFEESA-N 1 1 340.420 3.220 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245872753 455389726 /nfs/dbraw/zinc/38/97/26/455389726.db2.gz MGTHXJFCGQXCMC-STQMWFEESA-N 1 1 340.420 3.220 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247200829 455572526 /nfs/dbraw/zinc/57/25/26/455572526.db2.gz OZMHSMRKUCHEEV-PBHICJAKSA-N 1 1 341.415 3.047 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000182763283 455582597 /nfs/dbraw/zinc/58/25/97/455582597.db2.gz TYKIBAWYZJNVQD-HIFRSBDPSA-N 1 1 334.420 3.097 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277729250 455647669 /nfs/dbraw/zinc/64/76/69/455647669.db2.gz GWHUAEBUJFTIOK-AWEZNQCLSA-N 1 1 349.434 3.308 10 5 EGBEMO C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)[N@@H+](C)C1CC1 ZINC000277794539 455668629 /nfs/dbraw/zinc/66/86/29/455668629.db2.gz VRHMRHYAFBMQNG-ZDUSSCGKSA-N 1 1 349.434 3.306 10 5 EGBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000301273408 456078300 /nfs/dbraw/zinc/07/83/00/456078300.db2.gz YCOHJFYKHHHGET-LBPRGKRZSA-N 1 1 329.322 3.288 10 5 EGBEMO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000301446670 456117836 /nfs/dbraw/zinc/11/78/36/456117836.db2.gz RIHOCNPLDRXEJR-GDBMZVCRSA-N 1 1 341.415 3.016 10 5 EGBEMO CCOc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000301810337 456220232 /nfs/dbraw/zinc/22/02/32/456220232.db2.gz ZCTNXYHTDXBMQW-AWEZNQCLSA-N 1 1 333.432 3.447 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000301954673 456258264 /nfs/dbraw/zinc/25/82/64/456258264.db2.gz KQBXUVOGXZQECX-AAEUAGOBSA-N 1 1 343.374 3.363 10 5 EGBEMO COc1cc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000352778450 456297978 /nfs/dbraw/zinc/29/79/78/456297978.db2.gz KYJSAXIEGNWLMK-SFHVURJKSA-N 1 1 341.411 3.092 10 5 EGBEMO CC(C)(C)c1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148473 460730719 /nfs/dbraw/zinc/73/07/19/460730719.db2.gz CHDUZYKURMYWDC-KRWDZBQOSA-N 1 1 349.456 3.346 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000348181146 456520145 /nfs/dbraw/zinc/52/01/45/456520145.db2.gz OVQXCHJXUHVGSN-KRWDZBQOSA-N 1 1 333.432 3.051 10 5 EGBEMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000311177901 456586945 /nfs/dbraw/zinc/58/69/45/456586945.db2.gz XAYVEGKQISCULM-CYBMUJFWSA-N 1 1 339.399 3.404 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(CC(F)(F)F)c1 ZINC000348666072 456806324 /nfs/dbraw/zinc/80/63/24/456806324.db2.gz BECDABBXBYJKSB-UHFFFAOYSA-N 1 1 342.321 3.028 10 5 EGBEMO COC[C@H]1CC[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000354057533 457035781 /nfs/dbraw/zinc/03/57/81/457035781.db2.gz WHBNVUZIEKBTKJ-GFCCVEGCSA-N 1 1 332.356 3.084 10 5 EGBEMO CCOc1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331186433 457143798 /nfs/dbraw/zinc/14/37/98/457143798.db2.gz TWTLOKDBJWBCJY-HOCLYGCPSA-N 1 1 336.432 3.222 10 5 EGBEMO O=[N+]([O-])c1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cs1 ZINC000425353735 457513952 /nfs/dbraw/zinc/51/39/52/457513952.db2.gz QKIMXTMRAJOZGX-DLBZAZTESA-N 1 1 343.452 3.363 10 5 EGBEMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412032652 458054568 /nfs/dbraw/zinc/05/45/68/458054568.db2.gz HHJBHJPOZASWJA-UHFFFAOYSA-N 1 1 349.431 3.443 10 5 EGBEMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412043427 458061547 /nfs/dbraw/zinc/06/15/47/458061547.db2.gz NUVFKRQDNLFODS-NWDGAFQWSA-N 1 1 335.404 3.051 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412045184 458064663 /nfs/dbraw/zinc/06/46/63/458064663.db2.gz PKPBTGJWYKCESG-LBPRGKRZSA-N 1 1 335.404 3.052 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000446486533 458191577 /nfs/dbraw/zinc/19/15/77/458191577.db2.gz 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CC(C)C[C@H](CO)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000518800501 458894389 /nfs/dbraw/zinc/89/43/89/458894389.db2.gz ZUWJPZGETQXPAT-CYBMUJFWSA-N 1 1 334.338 3.452 10 5 EGBEMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595549596 459343265 /nfs/dbraw/zinc/34/32/65/459343265.db2.gz UHSUIMXKXRVECR-UKRRQHHQSA-N 1 1 348.447 3.136 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000540870382 459394613 /nfs/dbraw/zinc/39/46/13/459394613.db2.gz BXZBAUITRWCORE-UHFFFAOYSA-N 1 1 330.775 3.457 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595732788 459418161 /nfs/dbraw/zinc/41/81/61/459418161.db2.gz KFIXVEANDRDNOY-ZMSDIMECSA-N 1 1 332.400 3.149 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1c1ccccc1 ZINC000485987754 459483266 /nfs/dbraw/zinc/48/32/66/459483266.db2.gz GRJAPWTVQNRJIP-SUMWQHHRSA-N 1 1 330.363 3.173 10 5 EGBEMO COc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] 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OCQGYNYWQOSOLS-ZDUSSCGKSA-N 1 1 345.321 3.425 10 5 EGBEMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)cc([N+](=O)[O-])c1 ZINC001132619078 1375486985 /nfs/dbraw/zinc/48/69/85/1375486985.db2.gz LOHIGLCKNFZAHF-KRWDZBQOSA-N 1 1 345.443 3.430 10 5 EGBEMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001134763804 1376707558 /nfs/dbraw/zinc/70/75/58/1376707558.db2.gz AMLQWERLDNADBA-CQSZACIVSA-N 1 1 333.432 3.106 10 5 EGBEMO CCC(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001327252811 1388466015 /nfs/dbraw/zinc/46/60/15/1388466015.db2.gz VQGTWGMKSPBOIA-UHFFFAOYSA-N 1 1 335.448 3.311 10 5 EGBEMO CC(C)N(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001284526115 1379926349 /nfs/dbraw/zinc/92/63/49/1379926349.db2.gz DJGRFKIKYLKNMT-UHFFFAOYSA-N 1 1 345.399 3.170 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccoc1 ZINC001284526115 1379926352 /nfs/dbraw/zinc/92/63/52/1379926352.db2.gz DJGRFKIKYLKNMT-UHFFFAOYSA-N 1 1 345.399 3.170 10 5 EGBEMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@]2(C)C1 ZINC001164261471 1383172463 /nfs/dbraw/zinc/17/24/63/1383172463.db2.gz SDWQABOGGOGLJO-YGRLFVJLSA-N 1 1 329.322 3.002 10 5 EGBEMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001306932874 1383922504 /nfs/dbraw/zinc/92/25/04/1383922504.db2.gz PSGNFOMWHUJUPS-KGLIPLIRSA-N 1 1 346.818 3.257 10 5 EGBEMO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307457168 1383994106 /nfs/dbraw/zinc/99/41/06/1383994106.db2.gz CCVOUGVUYPYPKL-QWRGUYRKSA-N 1 1 325.796 3.450 10 5 EGBEMO CC[N@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC001168838707 1384027772 /nfs/dbraw/zinc/02/77/72/1384027772.db2.gz QCAVBRFWQZVZRX-HUUCEWRRSA-N 1 1 335.448 3.297 10 5 EGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC001308010351 1384074016 /nfs/dbraw/zinc/07/40/16/1384074016.db2.gz MCMHFWPVTVZQPV-GOSISDBHSA-N 1 1 346.358 3.266 10 5 EGBEMO CC(C)(C)[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308035512 1384078447 /nfs/dbraw/zinc/07/84/47/1384078447.db2.gz RDTXNKMICAZZQO-AWEZNQCLSA-N 1 1 339.417 3.467 10 5 EGBEMO CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001308035512 1384078450 /nfs/dbraw/zinc/07/84/50/1384078450.db2.gz RDTXNKMICAZZQO-AWEZNQCLSA-N 1 1 339.417 3.467 10 5 EGBEMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308148243 1384101132 /nfs/dbraw/zinc/10/11/32/1384101132.db2.gz ABPRKEPXKNGNRM-INIZCTEOSA-N 1 1 327.384 3.293 10 5 EGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001171017540 1384430713 /nfs/dbraw/zinc/43/07/13/1384430713.db2.gz FEXOQJAZYSWKKM-DLBZAZTESA-N 1 1 328.416 3.368 10 5 EGBEMO C[N@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001317453243 1385151398 /nfs/dbraw/zinc/15/13/98/1385151398.db2.gz MMGMIRVIFDKQKZ-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO C[N@@H+](CCNC(=O)C1CCC2(CC2)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001317453243 1385151399 /nfs/dbraw/zinc/15/13/99/1385151399.db2.gz MMGMIRVIFDKQKZ-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CC(C)(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001176995892 1385767995 /nfs/dbraw/zinc/76/79/95/1385767995.db2.gz OZGMAKOSCMVKSJ-MRXNPFEDSA-N 1 1 349.431 3.060 10 5 EGBEMO Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc(C)[nH+]1 ZINC001320089004 1386503824 /nfs/dbraw/zinc/50/38/24/1386503824.db2.gz GMOOHFULYMODPO-UHFFFAOYSA-N 1 1 334.763 3.004 10 5 EGBEMO CC[N@H+](CCCNC(=O)C1(C)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001479850882 1392431159 /nfs/dbraw/zinc/43/11/59/1392431159.db2.gz JUAIATITVMUHFH-UHFFFAOYSA-N 1 1 339.461 3.175 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1(C)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001479850882 1392431160 /nfs/dbraw/zinc/43/11/60/1392431160.db2.gz JUAIATITVMUHFH-UHFFFAOYSA-N 1 1 339.461 3.175 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1ccc(C)o1)Cc1ccccc1[N+](=O)[O-] ZINC001490311489 1393174156 /nfs/dbraw/zinc/17/41/56/1393174156.db2.gz 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CC1(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)CCCCC1 ZINC001713918323 1418712962 /nfs/dbraw/zinc/71/29/62/1418712962.db2.gz VMHRRGRUYKBQNE-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCCCC1 ZINC001715770899 1420336427 /nfs/dbraw/zinc/33/64/27/1420336427.db2.gz TUGNSOOJDOPWGN-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CC/C=C(/C)C(=O)N(C)CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001717204913 1421175549 /nfs/dbraw/zinc/17/55/49/1421175549.db2.gz REZCOXUZEBCKTJ-NVNXTCNLSA-N 1 1 333.432 3.231 10 5 EGBEMO C[N@@H+](CCc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000055022516 214265381 /nfs/dbraw/zinc/26/53/81/214265381.db2.gz YZCDHJFFNYVNAG-UHFFFAOYSA-N 1 1 346.358 3.275 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000369079366 168399065 /nfs/dbraw/zinc/39/90/65/168399065.db2.gz UGCUYWAKNYHHGD-UHFFFAOYSA-N 1 1 348.790 3.230 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000265996434 248009537 /nfs/dbraw/zinc/00/95/37/248009537.db2.gz NXBULZJRJZEWCL-SWLSCSKDSA-N 1 1 345.399 3.143 10 5 EGBEMO Cc1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000092812572 218170958 /nfs/dbraw/zinc/17/09/58/218170958.db2.gz AVQHJAXVDVBLRY-MRXNPFEDSA-N 1 1 326.400 3.232 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000093645065 218239184 /nfs/dbraw/zinc/23/91/84/218239184.db2.gz KIJXKTNRIOVRMC-YPMHNXCESA-N 1 1 343.374 3.111 10 5 EGBEMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000337309368 154276576 /nfs/dbraw/zinc/27/65/76/154276576.db2.gz ZELMMOOYQIXXDR-GQGSAGHOSA-N 1 1 336.407 3.495 10 5 EGBEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337455401 154361636 /nfs/dbraw/zinc/36/16/36/154361636.db2.gz HKJGKQAZEDLUCO-MNOVXSKESA-N 1 1 345.321 3.196 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCSC[C@H]3CCO)o2)c1 ZINC000355085740 166102184 /nfs/dbraw/zinc/10/21/84/166102184.db2.gz YKFLDFSKVOKZBH-OAHLLOKOSA-N 1 1 348.424 3.155 10 5 EGBEMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355784955 166309018 /nfs/dbraw/zinc/30/90/18/166309018.db2.gz KCJRPGROGVUOFP-KRWDZBQOSA-N 1 1 344.411 3.293 10 5 EGBEMO C[C@H]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359559853 167193301 /nfs/dbraw/zinc/19/33/01/167193301.db2.gz POVVJDMFVOOMNG-KBXCAEBGSA-N 1 1 331.416 3.436 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366812324 168143786 /nfs/dbraw/zinc/14/37/86/168143786.db2.gz UGGJYOJOEXLADJ-RVKKMQEKSA-N 1 1 334.416 3.062 10 5 EGBEMO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673545 266340174 /nfs/dbraw/zinc/34/01/74/266340174.db2.gz VRUZHCRWXLRNFW-HNNXBMFYSA-N 1 1 347.440 3.096 10 5 EGBEMO C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673545 266340179 /nfs/dbraw/zinc/34/01/79/266340179.db2.gz VRUZHCRWXLRNFW-HNNXBMFYSA-N 1 1 347.440 3.096 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cs1 ZINC000269976722 266394975 /nfs/dbraw/zinc/39/49/75/266394975.db2.gz MXQPEJKLMLFRPN-INIZCTEOSA-N 1 1 332.425 3.429 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cs1 ZINC000269976722 266394979 /nfs/dbraw/zinc/39/49/79/266394979.db2.gz MXQPEJKLMLFRPN-INIZCTEOSA-N 1 1 332.425 3.429 10 5 EGBEMO C[C@@H]1CC[C@@]2(CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)C1 ZINC000359555309 274313703 /nfs/dbraw/zinc/31/37/03/274313703.db2.gz KENKIBNXMYOIQT-DKSSEZFCSA-N 1 1 343.427 3.212 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H]1CCCO ZINC000162453449 275032854 /nfs/dbraw/zinc/03/28/54/275032854.db2.gz ZAIFJRFBUBECAN-ZDUSSCGKSA-N 1 1 343.221 3.094 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000162453449 275032856 /nfs/dbraw/zinc/03/28/56/275032856.db2.gz ZAIFJRFBUBECAN-ZDUSSCGKSA-N 1 1 343.221 3.094 10 5 EGBEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092588640 275154792 /nfs/dbraw/zinc/15/47/92/275154792.db2.gz SXIJCULYYVOJFX-CYBMUJFWSA-N 1 1 343.383 3.085 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000184811138 275213688 /nfs/dbraw/zinc/21/36/88/275213688.db2.gz LNWNRAGCYKCACT-UHFFFAOYSA-N 1 1 326.400 3.011 10 5 EGBEMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282022983 275596824 /nfs/dbraw/zinc/59/68/24/275596824.db2.gz WACFPQAAUBCJNO-AWEZNQCLSA-N 1 1 341.415 3.215 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC4)C3)n2)c1 ZINC000288563788 276228433 /nfs/dbraw/zinc/22/84/33/276228433.db2.gz AGXFBPRSDITLQT-CQSZACIVSA-N 1 1 328.372 3.267 10 5 EGBEMO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345975523 279434423 /nfs/dbraw/zinc/43/44/23/279434423.db2.gz WTGOSKJTUAVAGU-UHFFFAOYSA-N 1 1 349.431 3.027 10 5 EGBEMO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414942327 309110291 /nfs/dbraw/zinc/11/02/91/309110291.db2.gz MMOJFYLFAOUJED-WBMJQRKESA-N 1 1 331.441 3.411 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000450419156 310121386 /nfs/dbraw/zinc/12/13/86/310121386.db2.gz NLAXKBAJSJZZKZ-HUUCEWRRSA-N 1 1 326.400 3.089 10 5 EGBEMO C[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490583414 311146009 /nfs/dbraw/zinc/14/60/09/311146009.db2.gz VUQBTSYORIQCOB-CQSZACIVSA-N 1 1 337.383 3.085 10 5 EGBEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc2ncccc2c1[N+](=O)[O-] ZINC000536536927 314121000 /nfs/dbraw/zinc/12/10/00/314121000.db2.gz JAARRBXYQSURKW-KGLIPLIRSA-N 1 1 326.400 3.206 10 5 EGBEMO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000538275397 314236952 /nfs/dbraw/zinc/23/69/52/314236952.db2.gz FSNCWEXLHLZZSU-LBPRGKRZSA-N 1 1 331.347 3.332 10 5 EGBEMO Cn1c2ccccc2cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1=O ZINC000563354737 316004976 /nfs/dbraw/zinc/00/49/76/316004976.db2.gz OOVXTUHLGCHGPA-UHFFFAOYSA-N 1 1 349.390 3.005 10 5 EGBEMO Cn1c2ccccc2cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1=O ZINC000563354737 316004980 /nfs/dbraw/zinc/00/49/80/316004980.db2.gz OOVXTUHLGCHGPA-UHFFFAOYSA-N 1 1 349.390 3.005 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000174012600 455350686 /nfs/dbraw/zinc/35/06/86/455350686.db2.gz HCXMBSIGOJIZAQ-STQMWFEESA-N 1 1 335.404 3.052 10 5 EGBEMO O=[N+]([O-])c1ccccc1SN1CC[NH+](Cc2ccccc2)CC1 ZINC000025514613 453775661 /nfs/dbraw/zinc/77/56/61/453775661.db2.gz MJUCEPUHEIQMMI-UHFFFAOYSA-N 1 1 329.425 3.420 10 5 EGBEMO C[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCCC1 ZINC000029501023 453829209 /nfs/dbraw/zinc/82/92/09/453829209.db2.gz ZPTNBJQHFOJHLZ-UHFFFAOYSA-N 1 1 329.404 3.465 10 5 EGBEMO CCCCNC(=O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000085907143 454041555 /nfs/dbraw/zinc/04/15/55/454041555.db2.gz JAFADAHBGUQDLC-UHFFFAOYSA-N 1 1 339.461 3.365 10 5 EGBEMO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1NC(C)=O ZINC000089512321 454157437 /nfs/dbraw/zinc/15/74/37/454157437.db2.gz BPAXYUQDXQTOOH-GFCCVEGCSA-N 1 1 343.383 3.413 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000120839506 454354398 /nfs/dbraw/zinc/35/43/98/454354398.db2.gz CRSXDXBOQJHGQA-HUUCEWRRSA-N 1 1 346.431 3.302 10 5 EGBEMO Cc1nn(C)c(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000065201855 454537935 /nfs/dbraw/zinc/53/79/35/454537935.db2.gz PFMOVOIOOSMPDY-INIZCTEOSA-N 1 1 343.431 3.103 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000092656906 454602667 /nfs/dbraw/zinc/60/26/67/454602667.db2.gz KQBXUVOGXZQECX-YPMHNXCESA-N 1 1 343.374 3.363 10 5 EGBEMO Cc1csc([C@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137016021 454764970 /nfs/dbraw/zinc/76/49/70/454764970.db2.gz HHDTTZJHYVIXJN-HOCLYGCPSA-N 1 1 347.440 3.273 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000156020962 455073365 /nfs/dbraw/zinc/07/33/65/455073365.db2.gz PADARYAXXCDVTK-CZUORRHYSA-N 1 1 334.420 3.097 10 5 EGBEMO Cc1nc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)sc1C ZINC000183372093 455284140 /nfs/dbraw/zinc/28/41/40/455284140.db2.gz CRPNLEURIDCGJW-UHFFFAOYSA-N 1 1 346.456 3.299 10 5 EGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175429685 455447499 /nfs/dbraw/zinc/44/74/99/455447499.db2.gz UGXPDPWCPHUCEH-ZDUSSCGKSA-N 1 1 348.790 3.058 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000246214944 455450387 /nfs/dbraw/zinc/45/03/87/455450387.db2.gz CQVRWCDABKWRFL-GJZGRUSLSA-N 1 1 333.413 3.312 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000246214944 455450395 /nfs/dbraw/zinc/45/03/95/455450395.db2.gz CQVRWCDABKWRFL-GJZGRUSLSA-N 1 1 333.413 3.312 10 5 EGBEMO O=c1cc(CN2CC[N@H+]3CCC[C@H]3C2)c2c(ccc3ccccc32)o1 ZINC000246258045 455459352 /nfs/dbraw/zinc/45/93/52/455459352.db2.gz FYLUBCOSQZMSPF-KRWDZBQOSA-N 1 1 334.419 3.226 10 5 EGBEMO COc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])cc1F ZINC000268220439 455622040 /nfs/dbraw/zinc/62/20/40/455622040.db2.gz SHOONGPGNUOYTG-OLZOCXBDSA-N 1 1 337.395 3.194 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277782579 455664958 /nfs/dbraw/zinc/66/49/58/455664958.db2.gz NWNZXLSWLHHIMZ-OSMZGAPFSA-N 1 1 332.322 3.291 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)n2)c1 ZINC000252452641 455804881 /nfs/dbraw/zinc/80/48/81/455804881.db2.gz SOXGNLHFNDNHTA-WMLDXEAASA-N 1 1 341.415 3.465 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186631588 455808163 /nfs/dbraw/zinc/80/81/63/455808163.db2.gz XRMXZJSJLNVWQN-CHWSQXEVSA-N 1 1 349.456 3.016 10 5 EGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195356163 455949278 /nfs/dbraw/zinc/94/92/78/455949278.db2.gz FJQTUWTYFZCDQX-CYBMUJFWSA-N 1 1 333.413 3.310 10 5 EGBEMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000270780210 456036707 /nfs/dbraw/zinc/03/67/07/456036707.db2.gz ONSLUYXHLRXOTP-GDBMZVCRSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000270780210 456036709 /nfs/dbraw/zinc/03/67/09/456036709.db2.gz ONSLUYXHLRXOTP-GDBMZVCRSA-N 1 1 334.326 3.125 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000301451512 456118849 /nfs/dbraw/zinc/11/88/49/456118849.db2.gz XLVNDQNDLGWRHR-XJKSGUPXSA-N 1 1 328.416 3.310 10 5 EGBEMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601115849 460715467 /nfs/dbraw/zinc/71/54/67/460715467.db2.gz DHSHFLYSOGDFIA-KBPBESRZSA-N 1 1 336.411 3.220 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301826131 456225845 /nfs/dbraw/zinc/22/58/45/456225845.db2.gz DZCKQXASVWQSQD-STQMWFEESA-N 1 1 343.412 3.161 10 5 EGBEMO Cc1ccc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301837299 456229136 /nfs/dbraw/zinc/22/91/36/456229136.db2.gz YAVQAYFADBJDIU-IYBDPMFKSA-N 1 1 347.459 3.229 10 5 EGBEMO CN1CCC(CNc2sccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000302043212 456274798 /nfs/dbraw/zinc/27/47/98/456274798.db2.gz XAFFWASQGAONOE-UHFFFAOYSA-N 1 1 338.477 3.019 10 5 EGBEMO O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000302078467 456282320 /nfs/dbraw/zinc/28/23/20/456282320.db2.gz ZGWYXMCMRQANPT-OAHLLOKOSA-N 1 1 333.432 3.296 10 5 EGBEMO COc1cc(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000352776271 456296328 /nfs/dbraw/zinc/29/63/28/456296328.db2.gz BFNMQZDONHVMQH-OAHLLOKOSA-N 1 1 344.411 3.377 10 5 EGBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000310891799 456585654 /nfs/dbraw/zinc/58/56/54/456585654.db2.gz ZENARDGNMOQOHN-GVDBMIGSSA-N 1 1 338.411 3.312 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCC1(F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000348329797 456628476 /nfs/dbraw/zinc/62/84/76/456628476.db2.gz RLXOEPJURYWUGK-HNNXBMFYSA-N 1 1 332.379 3.290 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000299641490 456752081 /nfs/dbraw/zinc/75/20/81/456752081.db2.gz NFJNIEBJQPVCAV-CQSZACIVSA-N 1 1 333.432 3.145 10 5 EGBEMO C[N@H+]1C[C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425284207 457481809 /nfs/dbraw/zinc/48/18/09/457481809.db2.gz MZHPZFWGEIWYNM-IINYFYTJSA-N 1 1 329.322 3.144 10 5 EGBEMO C[C@H]1c2ccccc2C[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361072192 457563150 /nfs/dbraw/zinc/56/31/50/457563150.db2.gz FPBNCEIRLYTYLR-UGSOOPFHSA-N 1 1 337.379 3.277 10 5 EGBEMO C[C@H]1c2ccccc2C[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361072192 457563154 /nfs/dbraw/zinc/56/31/54/457563154.db2.gz FPBNCEIRLYTYLR-UGSOOPFHSA-N 1 1 337.379 3.277 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412059403 458075082 /nfs/dbraw/zinc/07/50/82/458075082.db2.gz XEKFGQGUWMHNNU-ZBFHGGJFSA-N 1 1 331.416 3.133 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000430199692 458419263 /nfs/dbraw/zinc/41/92/63/458419263.db2.gz DKDRBACJPDWPJH-UGSOOPFHSA-N 1 1 342.395 3.427 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2cccc(OC)c2CC1 ZINC000430246829 458427886 /nfs/dbraw/zinc/42/78/86/458427886.db2.gz XESLRRGSDQZHPB-UHFFFAOYSA-N 1 1 342.395 3.213 10 5 EGBEMO Cc1c(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000464590076 458762297 /nfs/dbraw/zinc/76/22/97/458762297.db2.gz DTVJTNSXHJSQCR-HNNXBMFYSA-N 1 1 334.416 3.457 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000441432318 458941312 /nfs/dbraw/zinc/94/13/12/458941312.db2.gz DOFQMHOHHURJGD-INIZCTEOSA-N 1 1 334.416 3.397 10 5 EGBEMO Cc1c(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000476948450 459023420 /nfs/dbraw/zinc/02/34/20/459023420.db2.gz VGGYWGHWOXUGPB-UHFFFAOYSA-N 1 1 345.443 3.311 10 5 EGBEMO COC(=O)c1cc(N2CCC[N@H+](C(C)(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000532137768 459035572 /nfs/dbraw/zinc/03/55/72/459035572.db2.gz LQAOXPDVUOHFLK-UHFFFAOYSA-N 1 1 349.431 3.000 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595080160 459239605 /nfs/dbraw/zinc/23/96/05/459239605.db2.gz OEFFLJMHYXMAHX-HIFRSBDPSA-N 1 1 336.342 3.053 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000595101355 459245903 /nfs/dbraw/zinc/24/59/03/459245903.db2.gz DPMUZNJDOLOVHK-VEVIJQCQSA-N 1 1 330.384 3.376 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4ccccn4)C3)nc2c1 ZINC000595502545 459325936 /nfs/dbraw/zinc/32/59/36/459325936.db2.gz MSIHBQFLIQNWGR-ZDUSSCGKSA-N 1 1 337.383 3.246 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4ccccn4)C3)nc2c1 ZINC000595502545 459325940 /nfs/dbraw/zinc/32/59/40/459325940.db2.gz MSIHBQFLIQNWGR-ZDUSSCGKSA-N 1 1 337.383 3.246 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccco2)CC1 ZINC000595614834 459368357 /nfs/dbraw/zinc/36/83/57/459368357.db2.gz JECFWMXZYAYFNF-CYBMUJFWSA-N 1 1 343.383 3.394 10 5 EGBEMO CC[C@H](NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595661921 459388003 /nfs/dbraw/zinc/38/80/03/459388003.db2.gz CVWGJKXMSZTNGE-CVEARBPZSA-N 1 1 348.447 3.218 10 5 EGBEMO COc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596167366 459545971 /nfs/dbraw/zinc/54/59/71/459545971.db2.gz CGNCXGBUYWNJLC-DGCLKSJQSA-N 1 1 339.823 3.177 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC000593084247 459769041 /nfs/dbraw/zinc/76/90/41/459769041.db2.gz QDRFJFROYYEMOP-OAHLLOKOSA-N 1 1 332.379 3.028 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)o1 ZINC000597231268 459885577 /nfs/dbraw/zinc/88/55/77/459885577.db2.gz PCMUBIDWQZLXLT-KBPBESRZSA-N 1 1 328.368 3.323 10 5 EGBEMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758023 460015205 /nfs/dbraw/zinc/01/52/05/460015205.db2.gz GWIMJIYGDLIVLQ-WFASDCNBSA-N 1 1 343.383 3.040 10 5 EGBEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758023 460015211 /nfs/dbraw/zinc/01/52/11/460015211.db2.gz GWIMJIYGDLIVLQ-WFASDCNBSA-N 1 1 343.383 3.040 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(C)s2)c1 ZINC000589498264 460095975 /nfs/dbraw/zinc/09/59/75/460095975.db2.gz HHNBBGRGHWXQRP-UHFFFAOYSA-N 1 1 334.397 3.383 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(C)s2)c1 ZINC000589498264 460095985 /nfs/dbraw/zinc/09/59/85/460095985.db2.gz HHNBBGRGHWXQRP-UHFFFAOYSA-N 1 1 334.397 3.383 10 5 EGBEMO C[N@@H+]1CCC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000611518738 460385931 /nfs/dbraw/zinc/38/59/31/460385931.db2.gz MVQPNVQESIBWNH-IEBWSBKVSA-N 1 1 325.412 3.368 10 5 EGBEMO C[N@H+]1CCC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000611518738 460385940 /nfs/dbraw/zinc/38/59/40/460385940.db2.gz MVQPNVQESIBWNH-IEBWSBKVSA-N 1 1 325.412 3.368 10 5 EGBEMO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCc2ccccc2C1 ZINC000733991943 575423998 /nfs/dbraw/zinc/42/39/98/575423998.db2.gz JLLWFKQFMYVUBL-KRWDZBQOSA-N 1 1 336.395 3.391 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)[C@H](C)C1 ZINC000742411325 576781205 /nfs/dbraw/zinc/78/12/05/576781205.db2.gz PBGUOGKCHIMZAP-RISCZKNCSA-N 1 1 334.445 3.371 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C1 ZINC000742411324 576781289 /nfs/dbraw/zinc/78/12/89/576781289.db2.gz PBGUOGKCHIMZAP-FZMZJTMJSA-N 1 1 334.445 3.371 10 5 EGBEMO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000872061523 1296708626 /nfs/dbraw/zinc/70/86/26/1296708626.db2.gz FRCXYGFPGJCEDI-MVQRFQBOSA-N 1 1 338.379 3.111 10 5 EGBEMO CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872086842 1296725980 /nfs/dbraw/zinc/72/59/80/1296725980.db2.gz YELAVSTWLJTKOZ-LBPRGKRZSA-N 1 1 345.374 3.221 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3c4cccc(Cl)c4ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000894373196 1306364429 /nfs/dbraw/zinc/36/44/29/1306364429.db2.gz QIBCTYSSSKJVMN-NEPJUHHUSA-N 1 1 346.818 3.184 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000863340405 1329548547 /nfs/dbraw/zinc/54/85/47/1329548547.db2.gz KKYZSDAXYVKVID-MPNWYJEXSA-N 1 1 341.415 3.489 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000863340405 1329548548 /nfs/dbraw/zinc/54/85/48/1329548548.db2.gz KKYZSDAXYVKVID-MPNWYJEXSA-N 1 1 341.415 3.489 10 5 EGBEMO CCC[N@H+]1CCC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001186381635 1387931545 /nfs/dbraw/zinc/93/15/45/1387931545.db2.gz WLHKWEVUIFTGEG-NSHDSACASA-N 1 1 349.822 3.478 10 5 EGBEMO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001197506355 1368829257 /nfs/dbraw/zinc/82/92/57/1368829257.db2.gz GSIKSIFMCQQERB-LLVKDONJSA-N 1 1 331.328 3.362 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001325750559 1388040109 /nfs/dbraw/zinc/04/01/09/1388040109.db2.gz VKXINNJRKPZNRH-STQMWFEESA-N 1 1 330.388 3.459 10 5 EGBEMO Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(C)[nH+]1 ZINC001116399896 1370903541 /nfs/dbraw/zinc/90/35/41/1370903541.db2.gz PPKVGQHBXMHUPA-UHFFFAOYSA-N 1 1 327.365 3.496 10 5 EGBEMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001162258358 1382709476 /nfs/dbraw/zinc/70/94/76/1382709476.db2.gz JYTOTQNBTDXZQM-JSGCOSHPSA-N 1 1 349.431 3.222 10 5 EGBEMO CC[C@H]1CCCC[N@H+]1CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001162475983 1382768683 /nfs/dbraw/zinc/76/86/83/1382768683.db2.gz JLUVYQUXUBAGDZ-AWEZNQCLSA-N 1 1 349.431 3.366 10 5 EGBEMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1F ZINC001162980446 1382935965 /nfs/dbraw/zinc/93/59/65/1382935965.db2.gz XFQZYIJRTWYHTA-UHFFFAOYSA-N 1 1 332.379 3.451 10 5 EGBEMO CN(C[C@H]1CCC[N@H+]1C)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001163544546 1383074831 /nfs/dbraw/zinc/07/48/31/1383074831.db2.gz BJAUXHJBANRBRA-GFCCVEGCSA-N 1 1 334.807 3.327 10 5 EGBEMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001163941867 1383138245 /nfs/dbraw/zinc/13/82/45/1383138245.db2.gz BSHPFRZSLAGVSD-HNNXBMFYSA-N 1 1 335.452 3.329 10 5 EGBEMO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001307457166 1383994731 /nfs/dbraw/zinc/99/47/31/1383994731.db2.gz CCVOUGVUYPYPKL-GHMZBOCLSA-N 1 1 325.796 3.450 10 5 EGBEMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001307545789 1383999588 /nfs/dbraw/zinc/99/95/88/1383999588.db2.gz YJEASHMRIAMPKZ-IRXDYDNUSA-N 1 1 336.432 3.499 10 5 EGBEMO Cc1cccc(C[C@@]2(C)CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)c1 ZINC001307971467 1384066226 /nfs/dbraw/zinc/06/62/26/1384066226.db2.gz ABQKRBBVGQONLA-GOSISDBHSA-N 1 1 328.416 3.197 10 5 EGBEMO C[C@H](C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC001307994392 1384069707 /nfs/dbraw/zinc/06/97/07/1384069707.db2.gz ZEGNHJAPVNJINZ-CYBMUJFWSA-N 1 1 333.432 3.342 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)o2)c1 ZINC001319948558 1386411822 /nfs/dbraw/zinc/41/18/22/1386411822.db2.gz OQTVIASGNOULLU-RTHVDDQRSA-N 1 1 342.395 3.448 10 5 EGBEMO CCC[N@@H+](CCNC(=O)C1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001481128753 1393127572 /nfs/dbraw/zinc/12/75/72/1393127572.db2.gz RTYHYJDLAMPQKQ-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO C[N@@H+](CCCNC(=O)/C=C/C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001689793488 1404138381 /nfs/dbraw/zinc/13/83/81/1404138381.db2.gz MKORESAWHQNPKC-ZHACJKMWSA-N 1 1 333.432 3.135 10 5 EGBEMO CC/C=C(\C)C(=O)N1CCC([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001700688519 1414341000 /nfs/dbraw/zinc/34/10/00/1414341000.db2.gz XGFZFLRMUMMPHW-VIZOYTHASA-N 1 1 345.443 3.374 10 5 EGBEMO CC(C)CCC(=O)NCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001701041073 1414698853 /nfs/dbraw/zinc/69/88/53/1414698853.db2.gz JBBIYZOIVRTYQU-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CCC1(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001713471873 1418142542 /nfs/dbraw/zinc/14/25/42/1418142542.db2.gz CSKVAGGYORVIBK-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CCC1(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001713471873 1418142550 /nfs/dbraw/zinc/14/25/50/1418142550.db2.gz CSKVAGGYORVIBK-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[C@H]1CC[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001713474190 1418150098 /nfs/dbraw/zinc/15/00/98/1418150098.db2.gz LXCXBJDSWMTWMN-WKILWMFISA-N 1 1 347.459 3.359 10 5 EGBEMO CC[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001713474190 1418150099 /nfs/dbraw/zinc/15/00/99/1418150099.db2.gz LXCXBJDSWMTWMN-WKILWMFISA-N 1 1 347.459 3.359 10 5 EGBEMO CC[N@@H+](CCNC(=O)CC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001714574939 1419310201 /nfs/dbraw/zinc/31/02/01/1419310201.db2.gz CZQZVZMEVKEDCR-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO Cc1ccsc1C(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001715752697 1420325908 /nfs/dbraw/zinc/32/59/08/1420325908.db2.gz YYCUYZFTMUGQSE-UHFFFAOYSA-N 1 1 347.440 3.169 10 5 EGBEMO CCC(=O)NCc1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001724737553 1425095913 /nfs/dbraw/zinc/09/59/13/1425095913.db2.gz KZKWBZAOZZGVBS-UHFFFAOYSA-N 1 1 341.411 3.253 10 5 EGBEMO CCC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001724737553 1425095922 /nfs/dbraw/zinc/09/59/22/1425095922.db2.gz KZKWBZAOZZGVBS-UHFFFAOYSA-N 1 1 341.411 3.253 10 5 EGBEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000178335402 232139298 /nfs/dbraw/zinc/13/92/98/232139298.db2.gz WDRDASZXTWWBQG-QGZVFWFLSA-N 1 1 344.415 3.033 10 5 EGBEMO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3nc(C4CC4)n[nH]3)CC2)cc1 ZINC000069010808 215353023 /nfs/dbraw/zinc/35/30/23/215353023.db2.gz KDGSFLQHTJDWCU-UHFFFAOYSA-N 1 1 341.415 3.012 10 5 EGBEMO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3n[nH]c(C4CC4)n3)CC2)cc1 ZINC000069010808 215353028 /nfs/dbraw/zinc/35/30/28/215353028.db2.gz KDGSFLQHTJDWCU-UHFFFAOYSA-N 1 1 341.415 3.012 10 5 EGBEMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000113196662 162203758 /nfs/dbraw/zinc/20/37/58/162203758.db2.gz AOLIVSBCWMGPJT-ZDUSSCGKSA-N 1 1 344.415 3.070 10 5 EGBEMO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCCC[C@@H]1C ZINC000338873849 163369595 /nfs/dbraw/zinc/36/95/95/163369595.db2.gz WHTKOAPLDCYYQO-STQMWFEESA-N 1 1 344.415 3.069 10 5 EGBEMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000355739880 166293355 /nfs/dbraw/zinc/29/33/55/166293355.db2.gz JMFDURFWGAKDOT-HZSPNIEDSA-N 1 1 347.415 3.259 10 5 EGBEMO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187770054 278021891 /nfs/dbraw/zinc/02/18/91/278021891.db2.gz CYSRXJVFCKSRTI-HIFRSBDPSA-N 1 1 333.432 3.273 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000182684289 281019610 /nfs/dbraw/zinc/01/96/10/281019610.db2.gz ITZRNNQMBVHQPB-HZPDHXFCSA-N 1 1 347.459 3.149 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000182684289 281019612 /nfs/dbraw/zinc/01/96/12/281019612.db2.gz ITZRNNQMBVHQPB-HZPDHXFCSA-N 1 1 347.459 3.149 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc2cncn2c1)C1CC1 ZINC000414177177 309064959 /nfs/dbraw/zinc/06/49/59/309064959.db2.gz IBOADKFDEQIERG-GOSISDBHSA-N 1 1 336.395 3.353 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@]34CCOC4)o2)c([N+](=O)[O-])c1 ZINC000421401703 309323051 /nfs/dbraw/zinc/32/30/51/309323051.db2.gz USHJSEPOBOGXIF-GOSISDBHSA-N 1 1 344.367 3.228 10 5 EGBEMO Cc1c(Cc2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000443210649 309897275 /nfs/dbraw/zinc/89/72/75/309897275.db2.gz BDIVPWGUQNRAKJ-VXGBXAGGSA-N 1 1 330.388 3.250 10 5 EGBEMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449425655 310061160 /nfs/dbraw/zinc/06/11/60/310061160.db2.gz QEPXDBMHTYVQAT-XJKSGUPXSA-N 1 1 330.384 3.448 10 5 EGBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451376937 310175067 /nfs/dbraw/zinc/17/50/67/310175067.db2.gz WNHLRYMMMLMJAE-FSIPBHDLSA-N 1 1 341.411 3.066 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451866429 310201047 /nfs/dbraw/zinc/20/10/47/310201047.db2.gz BJGGELKWBUVECE-QWHCGFSZSA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451866429 310201048 /nfs/dbraw/zinc/20/10/48/310201048.db2.gz BJGGELKWBUVECE-QWHCGFSZSA-N 1 1 345.365 3.472 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451895448 310202384 /nfs/dbraw/zinc/20/23/84/310202384.db2.gz DWVANBMDMJPLHN-SFHVURJKSA-N 1 1 334.416 3.385 10 5 EGBEMO C[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512175252 312177805 /nfs/dbraw/zinc/17/78/05/312177805.db2.gz NNMHZTQSAYRLTD-NSHDSACASA-N 1 1 325.796 3.451 10 5 EGBEMO C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000512175252 312177806 /nfs/dbraw/zinc/17/78/06/312177806.db2.gz NNMHZTQSAYRLTD-NSHDSACASA-N 1 1 325.796 3.451 10 5 EGBEMO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000565537833 316336900 /nfs/dbraw/zinc/33/69/00/316336900.db2.gz ZDAJNUYRBFIAMD-SECBINFHSA-N 1 1 336.335 3.036 10 5 EGBEMO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000565537833 316336903 /nfs/dbraw/zinc/33/69/03/316336903.db2.gz ZDAJNUYRBFIAMD-SECBINFHSA-N 1 1 336.335 3.036 10 5 EGBEMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311043 455275344 /nfs/dbraw/zinc/27/53/44/455275344.db2.gz BLGCCFAEFUJXME-NVXWUHKLSA-N 1 1 347.459 3.420 10 5 EGBEMO Cc1ccccc1C[N@H+]1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808646 453875622 /nfs/dbraw/zinc/87/56/22/453875622.db2.gz KGMVHQLBTUBASE-UHFFFAOYSA-N 1 1 326.400 3.011 10 5 EGBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1ccc(F)cc1 ZINC000055022495 453956663 /nfs/dbraw/zinc/95/66/63/453956663.db2.gz RVGOSUJRXROISM-ZDUSSCGKSA-N 1 1 345.374 3.235 10 5 EGBEMO COc1ccc(-c2ccc(C[N@@H+](C)[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000132112520 454314911 /nfs/dbraw/zinc/31/49/11/454314911.db2.gz SCMFVRQCUFXPEV-LBPRGKRZSA-N 1 1 332.356 3.084 10 5 EGBEMO Cc1cc(C[C@H](C)[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n[nH]1 ZINC000090529689 454317511 /nfs/dbraw/zinc/31/75/11/454317511.db2.gz BLCITVORFGQOFI-SJCJKPOMSA-N 1 1 328.416 3.168 10 5 EGBEMO Cc1sc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000063758347 454446397 /nfs/dbraw/zinc/44/63/97/454446397.db2.gz POBXKOOKXLEZDA-GFCCVEGCSA-N 1 1 339.461 3.207 10 5 EGBEMO CC(C)COC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048260348 454464341 /nfs/dbraw/zinc/46/43/41/454464341.db2.gz FNKODQKHDNGCPL-UHFFFAOYSA-N 1 1 332.404 3.039 10 5 EGBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000121940350 454496737 /nfs/dbraw/zinc/49/67/37/454496737.db2.gz JYONWYPRMMQWSQ-QGZVFWFLSA-N 1 1 343.431 3.024 10 5 EGBEMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050482 454606462 /nfs/dbraw/zinc/60/64/62/454606462.db2.gz COKCLKNUFBKODL-OCCSQVGLSA-N 1 1 339.461 3.173 10 5 EGBEMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000051050482 454606466 /nfs/dbraw/zinc/60/64/66/454606466.db2.gz COKCLKNUFBKODL-OCCSQVGLSA-N 1 1 339.461 3.173 10 5 EGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000105897583 454667223 /nfs/dbraw/zinc/66/72/23/454667223.db2.gz MZHNLBYSWZTTFP-HNNXBMFYSA-N 1 1 344.415 3.199 10 5 EGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000106213200 454685534 /nfs/dbraw/zinc/68/55/34/454685534.db2.gz MDMWXDRIKNKVLH-INIZCTEOSA-N 1 1 328.416 3.499 10 5 EGBEMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000180117358 455134533 /nfs/dbraw/zinc/13/45/33/455134533.db2.gz BWKCMRNQBBQJRX-QZTJIDSGSA-N 1 1 339.395 3.078 10 5 EGBEMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000156680695 455144092 /nfs/dbraw/zinc/14/40/92/455144092.db2.gz BBIMULSWLOCUPD-UHFFFAOYSA-N 1 1 343.368 3.106 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000246328474 455471969 /nfs/dbraw/zinc/47/19/69/455471969.db2.gz CSGFWKGHASQCFI-CPUCHLNUSA-N 1 1 348.447 3.028 10 5 EGBEMO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000247968376 455662006 /nfs/dbraw/zinc/66/20/06/455662006.db2.gz FDOQRLDEEQDNMO-CJNGLKHVSA-N 1 1 345.424 3.140 10 5 EGBEMO Cc1sc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000247968376 455662009 /nfs/dbraw/zinc/66/20/09/455662009.db2.gz FDOQRLDEEQDNMO-CJNGLKHVSA-N 1 1 345.424 3.140 10 5 EGBEMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000292643747 455720372 /nfs/dbraw/zinc/72/03/72/455720372.db2.gz KPHDCEGUHYGZBO-GFCCVEGCSA-N 1 1 341.839 3.407 10 5 EGBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195356060 455949396 /nfs/dbraw/zinc/94/93/96/455949396.db2.gz LTPPFHGUSPGMNL-CYBMUJFWSA-N 1 1 333.413 3.310 10 5 EGBEMO C[C@@H]1CCCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301577131 456150373 /nfs/dbraw/zinc/15/03/73/456150373.db2.gz ZFBHCXNBAPRMMH-SNVBAGLBSA-N 1 1 343.225 3.039 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301577131 456150378 /nfs/dbraw/zinc/15/03/78/456150378.db2.gz ZFBHCXNBAPRMMH-SNVBAGLBSA-N 1 1 343.225 3.039 10 5 EGBEMO CC[N@H+]1CCc2c(cccc2Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301681967 456184534 /nfs/dbraw/zinc/18/45/34/456184534.db2.gz GDLNMYPYBSOLPC-UHFFFAOYSA-N 1 1 343.412 3.426 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301857058 456233922 /nfs/dbraw/zinc/23/39/22/456233922.db2.gz ZLUWTGOIQQFXBR-DOTOQJQBSA-N 1 1 342.355 3.360 10 5 EGBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275404379 456274134 /nfs/dbraw/zinc/27/41/34/456274134.db2.gz BNCOXJJIAOJYQO-AWEZNQCLSA-N 1 1 349.434 3.165 10 5 EGBEMO C[C@](CO)([NH2+]Cc1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149377 460731964 /nfs/dbraw/zinc/73/19/64/460731964.db2.gz MLBPIUKGYISTCQ-MRXNPFEDSA-N 1 1 338.766 3.385 10 5 EGBEMO C[C@@](CO)([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149527 460732673 /nfs/dbraw/zinc/73/26/73/460732673.db2.gz NPLYBLSQMYZURA-INIZCTEOSA-N 1 1 340.301 3.009 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348314418 456616211 /nfs/dbraw/zinc/61/62/11/456616211.db2.gz BHXXWCNSHSUOMO-HNNXBMFYSA-N 1 1 332.379 3.290 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]4COCC[C@H]43)co2)cc1 ZINC000340691992 456629377 /nfs/dbraw/zinc/62/93/77/456629377.db2.gz PHIDOZFMDBQPKR-RHSMWYFYSA-N 1 1 343.383 3.251 10 5 EGBEMO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353568686 456766930 /nfs/dbraw/zinc/76/69/30/456766930.db2.gz FBEQGDSZGDNDIB-MRXNPFEDSA-N 1 1 343.402 3.440 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353751461 456889976 /nfs/dbraw/zinc/88/99/76/456889976.db2.gz PRIAFRDXAXGRFL-GOSISDBHSA-N 1 1 334.416 3.386 10 5 EGBEMO Cc1ccc(OCC[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000342119734 457118768 /nfs/dbraw/zinc/11/87/68/457118768.db2.gz MJXGGCNINHYQJY-UHFFFAOYSA-N 1 1 340.383 3.290 10 5 EGBEMO Cc1ccc(OCC[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000342119734 457118774 /nfs/dbraw/zinc/11/87/74/457118774.db2.gz MJXGGCNINHYQJY-UHFFFAOYSA-N 1 1 340.383 3.290 10 5 EGBEMO Cc1nc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000354422138 457211770 /nfs/dbraw/zinc/21/17/70/457211770.db2.gz KPJGOMMALGEVCS-INIZCTEOSA-N 1 1 326.400 3.009 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355221389 457347998 /nfs/dbraw/zinc/34/79/98/457347998.db2.gz LIMPEXOTIKILLO-LSDHHAIUSA-N 1 1 334.416 3.242 10 5 EGBEMO COc1cc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000352524240 457437995 /nfs/dbraw/zinc/43/79/95/457437995.db2.gz ATAIKKGCIHHQHS-HLLBOEOZSA-N 1 1 347.459 3.441 10 5 EGBEMO COC(=O)c1cc(F)ccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549595 457459046 /nfs/dbraw/zinc/45/90/46/457459046.db2.gz DMYQILQPDHMTOP-UHFFFAOYSA-N 1 1 346.358 3.195 10 5 EGBEMO COCC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697971 457462729 /nfs/dbraw/zinc/46/27/29/457462729.db2.gz FAVHLTRPEJIPTH-CABCVRRESA-N 1 1 349.431 3.060 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)C(F)(F)F)c2ccccc2)c1 ZINC000352556198 457464631 /nfs/dbraw/zinc/46/46/31/457464631.db2.gz WPDLLEUDNSLKBK-HUUCEWRRSA-N 1 1 340.301 3.197 10 5 EGBEMO COCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCOC1 ZINC000426527359 457849119 /nfs/dbraw/zinc/84/91/19/457849119.db2.gz XZGSUXKDGQEEKU-AWEZNQCLSA-N 1 1 346.383 3.092 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000439163825 458665579 /nfs/dbraw/zinc/66/55/79/458665579.db2.gz HJPHOFOQECUNSE-DGCLKSJQSA-N 1 1 339.823 3.111 10 5 EGBEMO COc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000467742791 458984260 /nfs/dbraw/zinc/98/42/60/458984260.db2.gz HUQPMGSHSHRZIE-CQSZACIVSA-N 1 1 345.374 3.429 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520402533 459056222 /nfs/dbraw/zinc/05/62/22/459056222.db2.gz YMBMJWUTXJXAEQ-INIZCTEOSA-N 1 1 328.368 3.257 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000595040296 459225852 /nfs/dbraw/zinc/22/58/52/459225852.db2.gz XGDVBINSJULHEJ-GFCCVEGCSA-N 1 1 344.415 3.067 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4ccccn4)C3)nc2c1 ZINC000595502536 459325452 /nfs/dbraw/zinc/32/54/52/459325452.db2.gz MSIHBQFLIQNWGR-CYBMUJFWSA-N 1 1 337.383 3.246 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4ccccn4)C3)nc2c1 ZINC000595502536 459325456 /nfs/dbraw/zinc/32/54/56/459325456.db2.gz MSIHBQFLIQNWGR-CYBMUJFWSA-N 1 1 337.383 3.246 10 5 EGBEMO CCc1nc([C@H](C)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000595519749 459331976 /nfs/dbraw/zinc/33/19/76/459331976.db2.gz CCDWIPVCKZDLEF-JSGCOSHPSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519749 459331981 /nfs/dbraw/zinc/33/19/81/459331981.db2.gz CCDWIPVCKZDLEF-JSGCOSHPSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519749 459331983 /nfs/dbraw/zinc/33/19/83/459331983.db2.gz CCDWIPVCKZDLEF-JSGCOSHPSA-N 1 1 329.404 3.216 10 5 EGBEMO O=[N+]([O-])c1cccc2c1CCN([C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000560729649 459391856 /nfs/dbraw/zinc/39/18/56/459391856.db2.gz KOGFYKKPOQMMKD-SFHVURJKSA-N 1 1 337.423 3.227 10 5 EGBEMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595688467 459397792 /nfs/dbraw/zinc/39/77/92/459397792.db2.gz HLXWYEYESMNZKE-GASCZTMLSA-N 1 1 344.333 3.472 10 5 EGBEMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595688467 459397796 /nfs/dbraw/zinc/39/77/96/459397796.db2.gz HLXWYEYESMNZKE-GASCZTMLSA-N 1 1 344.333 3.472 10 5 EGBEMO C[N@H+]1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000592376348 459584606 /nfs/dbraw/zinc/58/46/06/459584606.db2.gz AVUHRDFACSTZOL-MJGOQNOKSA-N 1 1 325.412 3.030 10 5 EGBEMO CSc1cccc(C(=O)NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593203047 459807207 /nfs/dbraw/zinc/80/72/07/459807207.db2.gz GRQBURLGVDITDK-UHFFFAOYSA-N 1 1 339.461 3.024 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H]4COC[C@H]4C3)cs2)c1 ZINC000597231248 459885120 /nfs/dbraw/zinc/88/51/20/459885120.db2.gz OXPPGRBZSDROSC-ZIAGYGMSSA-N 1 1 345.424 3.187 10 5 EGBEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976036 459897670 /nfs/dbraw/zinc/89/76/70/459897670.db2.gz LCKCROLGONQEED-HNAYVOBHSA-N 1 1 342.395 3.436 10 5 EGBEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976036 459897674 /nfs/dbraw/zinc/89/76/74/459897674.db2.gz LCKCROLGONQEED-HNAYVOBHSA-N 1 1 342.395 3.436 10 5 EGBEMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000618541016 460050753 /nfs/dbraw/zinc/05/07/53/460050753.db2.gz CRPGGYHDVJHKTO-HNNXBMFYSA-N 1 1 329.356 3.017 10 5 EGBEMO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945528 460121775 /nfs/dbraw/zinc/12/17/75/460121775.db2.gz HPAIYCHAJNYTAO-CQSZACIVSA-N 1 1 333.432 3.059 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc4cnccc4c3)C2)nc1 ZINC000618813123 460187019 /nfs/dbraw/zinc/18/70/19/460187019.db2.gz WTTWMHUENVXECJ-KRWDZBQOSA-N 1 1 349.394 3.224 10 5 EGBEMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000599621300 460289050 /nfs/dbraw/zinc/28/90/50/460289050.db2.gz IIWCHJFEBOGKKD-INIZCTEOSA-N 1 1 332.379 3.199 10 5 EGBEMO O=[N+]([O-])c1ncccc1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000615498601 460337453 /nfs/dbraw/zinc/33/74/53/460337453.db2.gz QPQVRMGNCUDAIQ-UHFFFAOYSA-N 1 1 332.791 3.113 10 5 EGBEMO O=[N+]([O-])c1ncccc1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000615498601 460337455 /nfs/dbraw/zinc/33/74/55/460337455.db2.gz QPQVRMGNCUDAIQ-UHFFFAOYSA-N 1 1 332.791 3.113 10 5 EGBEMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611372713 460347764 /nfs/dbraw/zinc/34/77/64/460347764.db2.gz BSDSPXVXQOOGHW-ZDUSSCGKSA-N 1 1 330.363 3.012 10 5 EGBEMO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000619534958 460377073 /nfs/dbraw/zinc/37/70/73/460377073.db2.gz KDXAWHWBIFSWDX-MKBZDKFGSA-N 1 1 346.427 3.266 10 5 EGBEMO C[C@@H]1C[C@]2(CCO1)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000619534958 460377077 /nfs/dbraw/zinc/37/70/77/460377077.db2.gz KDXAWHWBIFSWDX-MKBZDKFGSA-N 1 1 346.427 3.266 10 5 EGBEMO Cn1cc[nH+]c1C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000619696463 460417612 /nfs/dbraw/zinc/41/76/12/460417612.db2.gz QADMJXSRLZAQKM-GFCCVEGCSA-N 1 1 329.385 3.181 10 5 EGBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000178335391 534781247 /nfs/dbraw/zinc/78/12/47/534781247.db2.gz WDRDASZXTWWBQG-KRWDZBQOSA-N 1 1 344.415 3.033 10 5 EGBEMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357930997 535244081 /nfs/dbraw/zinc/24/40/81/535244081.db2.gz GMRJOECMBSBFLA-KBPBESRZSA-N 1 1 336.436 3.075 10 5 EGBEMO C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734001286 575420858 /nfs/dbraw/zinc/42/08/58/575420858.db2.gz QAXCNHYLTRGGJY-LLVKDONJSA-N 1 1 325.796 3.451 10 5 EGBEMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063837 1296710058 /nfs/dbraw/zinc/71/00/58/1296710058.db2.gz UBOGCEZVRPIHGV-GHMZBOCLSA-N 1 1 341.383 3.298 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872279971 1296886916 /nfs/dbraw/zinc/88/69/16/1296886916.db2.gz IFPCEOXRJUMTHW-MSOLQXFVSA-N 1 1 334.416 3.052 10 5 EGBEMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000879063889 1300347779 /nfs/dbraw/zinc/34/77/79/1300347779.db2.gz WJRXXWZDFKOZEX-SJCJKPOMSA-N 1 1 328.372 3.409 10 5 EGBEMO C[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858464392 1328768419 /nfs/dbraw/zinc/76/84/19/1328768419.db2.gz LUBCFQUHJISDMT-XJKSGUPXSA-N 1 1 332.448 3.235 10 5 EGBEMO C[C@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858464392 1328768421 /nfs/dbraw/zinc/76/84/21/1328768421.db2.gz LUBCFQUHJISDMT-XJKSGUPXSA-N 1 1 332.448 3.235 10 5 EGBEMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858514925 1328786093 /nfs/dbraw/zinc/78/60/93/1328786093.db2.gz XSSVKYCZUMSBGH-ROUUACIJSA-N 1 1 339.395 3.105 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000924956308 1323227498 /nfs/dbraw/zinc/22/74/98/1323227498.db2.gz YPEKLECUYDFEGB-CYBMUJFWSA-N 1 1 344.415 3.451 10 5 EGBEMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)C[C@H]1C ZINC000860501133 1329324960 /nfs/dbraw/zinc/32/49/60/1329324960.db2.gz MWDKCVAYDRFDOS-ZIAGYGMSSA-N 1 1 341.411 3.303 10 5 EGBEMO C[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000927026787 1327825854 /nfs/dbraw/zinc/82/58/54/1327825854.db2.gz GRGVEDQMAXMISM-IVMMDQJWSA-N 1 1 346.456 3.291 10 5 EGBEMO O=[N+]([O-])c1cn(C[N@H+]2CCCC3(CC3)CC2)nc1-c1ccncc1 ZINC000863331887 1329546990 /nfs/dbraw/zinc/54/69/90/1329546990.db2.gz XOTICTULQHLJER-UHFFFAOYSA-N 1 1 327.388 3.077 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC[C@@H]21 ZINC000866207735 1330078446 /nfs/dbraw/zinc/07/84/46/1330078446.db2.gz JNCVOSGJNDXINM-CVEARBPZSA-N 1 1 338.411 3.187 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000866480881 1330117456 /nfs/dbraw/zinc/11/74/56/1330117456.db2.gz LWXZFIBYWORMRZ-HZPDHXFCSA-N 1 1 346.456 3.293 10 5 EGBEMO Cc1ccc(C)c(CN(C)C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867976035 1330235289 /nfs/dbraw/zinc/23/52/89/1330235289.db2.gz DDSZHFLSUVRNCA-LJQANCHMSA-N 1 1 341.411 3.044 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC001197202526 1368763631 /nfs/dbraw/zinc/76/36/31/1368763631.db2.gz OACWVJIGXSXYMQ-UHFFFAOYSA-N 1 1 338.367 3.147 10 5 EGBEMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC001197202526 1368763635 /nfs/dbraw/zinc/76/36/35/1368763635.db2.gz OACWVJIGXSXYMQ-UHFFFAOYSA-N 1 1 338.367 3.147 10 5 EGBEMO Cc1coc(C(=O)N(C)CCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001327249991 1388462817 /nfs/dbraw/zinc/46/28/17/1388462817.db2.gz ACTWOZZQZUAYMF-UHFFFAOYSA-N 1 1 345.399 3.090 10 5 EGBEMO C[N@@H+](CCNC(=O)C12CCC(CC1)CC2)Cc1ccc([N+](=O)[O-])cc1 ZINC001266359718 1377294277 /nfs/dbraw/zinc/29/42/77/1377294277.db2.gz CENCCRXUGISVPW-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001141649037 1378357795 /nfs/dbraw/zinc/35/77/95/1378357795.db2.gz CIORNWKUKUUMEE-OAHLLOKOSA-N 1 1 347.459 3.253 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001154889838 1380373616 /nfs/dbraw/zinc/37/36/16/1380373616.db2.gz SCTSQXAXEVLXQR-CQSZACIVSA-N 1 1 345.443 3.301 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001162163089 1382644803 /nfs/dbraw/zinc/64/48/03/1382644803.db2.gz VIBCDNGUVNGRNF-CQSZACIVSA-N 1 1 349.431 3.448 10 5 EGBEMO CN(C[C@@H]1CCC[N@H+]1C)c1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001163544548 1383074867 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ZINC000566475313 458944025 /nfs/dbraw/zinc/94/40/25/458944025.db2.gz XWDYXVKSRQFCAZ-MRXNPFEDSA-N 1 1 337.379 3.343 10 5 EGBEMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000522886814 459269789 /nfs/dbraw/zinc/26/97/89/459269789.db2.gz OHRPXVYASOFJGF-ZDUSSCGKSA-N 1 1 339.461 3.349 10 5 EGBEMO COc1cc(N[C@H]2C[N@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000533820139 459272312 /nfs/dbraw/zinc/27/23/12/459272312.db2.gz SURRYMHZAZIXAT-HNNXBMFYSA-N 1 1 331.347 3.341 10 5 EGBEMO COc1cc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c([N+](=O)[O-])cc1F ZINC000533820139 459272315 /nfs/dbraw/zinc/27/23/15/459272315.db2.gz SURRYMHZAZIXAT-HNNXBMFYSA-N 1 1 331.347 3.341 10 5 EGBEMO Cc1noc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000595547864 459343314 /nfs/dbraw/zinc/34/33/14/459343314.db2.gz QEFKJYFFSMVNLE-CYBMUJFWSA-N 1 1 337.326 3.377 10 5 EGBEMO Cc1noc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000595547864 459343317 /nfs/dbraw/zinc/34/33/17/459343317.db2.gz QEFKJYFFSMVNLE-CYBMUJFWSA-N 1 1 337.326 3.377 10 5 EGBEMO O=[N+]([O-])c1cccc2c1CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000560729648 459392422 /nfs/dbraw/zinc/39/24/22/459392422.db2.gz KOGFYKKPOQMMKD-GOSISDBHSA-N 1 1 337.423 3.227 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000595786239 459439646 /nfs/dbraw/zinc/43/96/46/459439646.db2.gz HAQRUAUTVDWFES-RDJZCZTQSA-N 1 1 334.416 3.385 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H](O)CC1 ZINC000592131290 459530726 /nfs/dbraw/zinc/53/07/26/459530726.db2.gz WJHYBOPKDGZUGG-IYARVYRRSA-N 1 1 341.411 3.296 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccccn1)[C@H]1CC[C@H](O)CC1 ZINC000592131290 459530733 /nfs/dbraw/zinc/53/07/33/459530733.db2.gz WJHYBOPKDGZUGG-IYARVYRRSA-N 1 1 341.411 3.296 10 5 EGBEMO C[C@]1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000596200619 459558763 /nfs/dbraw/zinc/55/87/63/459558763.db2.gz NHLAONWXEDAAEG-GOSISDBHSA-N 1 1 342.399 3.162 10 5 EGBEMO O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596238624 459570994 /nfs/dbraw/zinc/57/09/94/459570994.db2.gz PTXMBUIDVWICIR-QMMMGPOBSA-N 1 1 337.177 3.050 10 5 EGBEMO O=[N+]([O-])c1cccc(Br)c1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596238624 459570997 /nfs/dbraw/zinc/57/09/97/459570997.db2.gz PTXMBUIDVWICIR-QMMMGPOBSA-N 1 1 337.177 3.050 10 5 EGBEMO CCOC(=O)c1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596307623 459591106 /nfs/dbraw/zinc/59/11/06/459591106.db2.gz NMKBVPLMLCLQEF-ZDUSSCGKSA-N 1 1 335.404 3.056 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596425025 459633456 /nfs/dbraw/zinc/63/34/56/459633456.db2.gz XEPPFJPRBURWLH-SFHVURJKSA-N 1 1 341.411 3.082 10 5 EGBEMO Cc1ccnc([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000584121139 459660329 /nfs/dbraw/zinc/66/03/29/459660329.db2.gz BMFGCNHVDYBWDM-CYBMUJFWSA-N 1 1 337.383 3.164 10 5 EGBEMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000584121139 459660338 /nfs/dbraw/zinc/66/03/38/459660338.db2.gz BMFGCNHVDYBWDM-CYBMUJFWSA-N 1 1 337.383 3.164 10 5 EGBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2Cc2ccccc2F)n1 ZINC000593080043 459767112 /nfs/dbraw/zinc/76/71/12/459767112.db2.gz CRMWITNHWSSDQV-OAHLLOKOSA-N 1 1 332.379 3.028 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H]4COC[C@H]4C3)cs2)c1 ZINC000597231244 459884771 /nfs/dbraw/zinc/88/47/71/459884771.db2.gz OXPPGRBZSDROSC-UONOGXRCSA-N 1 1 345.424 3.187 10 5 EGBEMO CC1(C)Cc2n[nH]cc2C[N@@H+](CC=Cc2ccccc2[N+](=O)[O-])C1 ZINC000597258995 459898532 /nfs/dbraw/zinc/89/85/32/459898532.db2.gz VGDDLLXJIPLALZ-FNORWQNLSA-N 1 1 326.400 3.416 10 5 EGBEMO CC1(C)Cc2n[nH]cc2C[N@H+](CC=Cc2ccccc2[N+](=O)[O-])C1 ZINC000597258995 459898536 /nfs/dbraw/zinc/89/85/36/459898536.db2.gz VGDDLLXJIPLALZ-FNORWQNLSA-N 1 1 326.400 3.416 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598465600 459903902 /nfs/dbraw/zinc/90/39/02/459903902.db2.gz GNHWYQJNTUBEMX-UHFFFAOYSA-N 1 1 333.388 3.191 10 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/nfs/dbraw/zinc/10/15/49/460101549.db2.gz IFUIHAISEHCDGQ-UHFFFAOYSA-N 1 1 334.347 3.431 10 5 EGBEMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000599621369 460289040 /nfs/dbraw/zinc/28/90/40/460289040.db2.gz KRLMSQMKHKJXDZ-OAHLLOKOSA-N 1 1 332.379 3.199 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599689238 460312509 /nfs/dbraw/zinc/31/25/09/460312509.db2.gz HWJBWUKZARIMGU-JIYQYTEPSA-N 1 1 334.416 3.013 10 5 EGBEMO Cc1c(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000599702244 460316134 /nfs/dbraw/zinc/31/61/34/460316134.db2.gz PKRLHNBIXIDITI-CQSZACIVSA-N 1 1 332.404 3.042 10 5 EGBEMO CC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000619434257 460355478 /nfs/dbraw/zinc/35/54/78/460355478.db2.gz RRMZJXZEDXWWQH-LPHOPBHVSA-N 1 1 348.443 3.488 10 5 EGBEMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000619434257 460355481 /nfs/dbraw/zinc/35/54/81/460355481.db2.gz RRMZJXZEDXWWQH-LPHOPBHVSA-N 1 1 348.443 3.488 10 5 EGBEMO COc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)ccc1[N+](=O)[O-] ZINC000611516602 460384918 /nfs/dbraw/zinc/38/49/18/460384918.db2.gz HMFDZHUKYGZXTF-UHFFFAOYSA-N 1 1 338.367 3.079 10 5 EGBEMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129387758 534030689 /nfs/dbraw/zinc/03/06/89/534030689.db2.gz CIUHOVIOGRUQBH-QAPCUYQASA-N 1 1 344.415 3.143 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191410792 529304368 /nfs/dbraw/zinc/30/43/68/529304368.db2.gz PSYQVRNUVUQCKV-LSDHHAIUSA-N 1 1 346.431 3.302 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000175005439 529304882 /nfs/dbraw/zinc/30/48/82/529304882.db2.gz MAMFJYYIYRUZCN-QWHCGFSZSA-N 1 1 349.456 3.016 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000741747633 576716388 /nfs/dbraw/zinc/71/63/88/576716388.db2.gz WESFDAYEJLOYHG-AWEZNQCLSA-N 1 1 345.374 3.429 10 5 EGBEMO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000047540435 1291578443 /nfs/dbraw/zinc/57/84/43/1291578443.db2.gz CIGWVKFICQOETH-UHFFFAOYSA-N 1 1 329.375 3.052 10 5 EGBEMO C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086691 1296725329 /nfs/dbraw/zinc/72/53/29/1296725329.db2.gz YGFWZOXVAFXDBW-BHYNMZESSA-N 1 1 330.306 3.199 10 5 EGBEMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886617557 1303525223 /nfs/dbraw/zinc/52/52/23/1303525223.db2.gz RTBZVSIRDUEZFV-QEJZJMRPSA-N 1 1 344.333 3.293 10 5 EGBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930353054 1328840307 /nfs/dbraw/zinc/84/03/07/1328840307.db2.gz FMGAWARORHBYOC-KGLIPLIRSA-N 1 1 332.322 3.179 10 5 EGBEMO COC(=O)C1C[C@@H](C)[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000860188599 1329169833 /nfs/dbraw/zinc/16/98/33/1329169833.db2.gz NDDHUHRBVZNPNH-GHMZBOCLSA-N 1 1 340.807 3.410 10 5 EGBEMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861952001 1329452725 /nfs/dbraw/zinc/45/27/25/1329452725.db2.gz AYAVXBHMIZGBAT-CQSZACIVSA-N 1 1 341.411 3.210 10 5 EGBEMO CC1(C)[C@H]2[C@H](CCCN2c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H]1O ZINC000866001095 1329758077 /nfs/dbraw/zinc/75/80/77/1329758077.db2.gz CMSVLMBNPXYEOK-VUCTXSBTSA-N 1 1 327.384 3.129 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000866209730 1330078951 /nfs/dbraw/zinc/07/89/51/1330078951.db2.gz VLPHAIOLZQKIFE-ZWNOBZJWSA-N 1 1 329.322 3.144 10 5 EGBEMO CC(C)(C)c1ccc2c(c1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC001323485169 1387375675 /nfs/dbraw/zinc/37/56/75/1387375675.db2.gz DAWHGRZLUMYWGS-UHFFFAOYSA-N 1 1 328.416 3.147 10 5 EGBEMO Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001324958502 1387850928 /nfs/dbraw/zinc/85/09/28/1387850928.db2.gz PLDBVPZTRZIDAR-NSHDSACASA-N 1 1 349.774 3.088 10 5 EGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC001196293139 1368585126 /nfs/dbraw/zinc/58/51/26/1368585126.db2.gz HUEPZEGMHQQHBH-GOSISDBHSA-N 1 1 328.368 3.127 10 5 EGBEMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001197647768 1368863686 /nfs/dbraw/zinc/86/36/86/1368863686.db2.gz VQZMTSFTQPTSEI-SNVBAGLBSA-N 1 1 341.327 3.230 10 5 EGBEMO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1CCC=CCC1 ZINC001277252678 1378213483 /nfs/dbraw/zinc/21/34/83/1378213483.db2.gz OBCFFIHMWGVBHP-UHFFFAOYSA-N 1 1 349.456 3.141 10 5 EGBEMO CCc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001142240149 1378424752 /nfs/dbraw/zinc/42/47/52/1378424752.db2.gz PSAZVVVEYOEOMJ-AWEZNQCLSA-N 1 1 347.459 3.398 10 5 EGBEMO CC[N@H+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@@H]1C ZINC001162832956 1382890193 /nfs/dbraw/zinc/89/01/93/1382890193.db2.gz LRVLKIPZKNIDDQ-NSHDSACASA-N 1 1 334.807 3.327 10 5 EGBEMO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167477992 1383646064 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EGBEMO CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001317730181 1385428526 /nfs/dbraw/zinc/42/85/26/1385428526.db2.gz LJFFATGDPWTTLI-NOWHLAJFSA-N 1 1 343.427 3.126 10 5 EGBEMO C[NH+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001355015563 1392185954 /nfs/dbraw/zinc/18/59/54/1392185954.db2.gz JTRJHZCOHRPRCP-OAHLLOKOSA-N 1 1 333.775 3.490 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(F)=C1CCCC1 ZINC001698986031 1406769259 /nfs/dbraw/zinc/76/92/59/1406769259.db2.gz RKLPYCMHJYPBIH-UHFFFAOYSA-N 1 1 349.406 3.283 10 5 EGBEMO C=Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001713468662 1418133897 /nfs/dbraw/zinc/13/38/97/1418133897.db2.gz HUPMBPKMONMXPL-UHFFFAOYSA-N 1 1 339.395 3.100 10 5 EGBEMO CCC1(C(=O)NCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001713560249 1418358982 /nfs/dbraw/zinc/35/89/82/1418358982.db2.gz AWWDWWCEXYEMMY-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO CCC1(C(=O)NCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 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344.390 3.321 10 5 EGBEMO Cc1nc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000091628926 454451838 /nfs/dbraw/zinc/45/18/38/454451838.db2.gz NJEOVFGLZLUXCM-CQSZACIVSA-N 1 1 344.390 3.321 10 5 EGBEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000105885411 454663078 /nfs/dbraw/zinc/66/30/78/454663078.db2.gz YDYAZCXMFGMNQL-MRXNPFEDSA-N 1 1 343.431 3.024 10 5 EGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000106213199 454686450 /nfs/dbraw/zinc/68/64/50/454686450.db2.gz MDMWXDRIKNKVLH-MRXNPFEDSA-N 1 1 328.416 3.499 10 5 EGBEMO Cc1nc(C2([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000161611875 454707791 /nfs/dbraw/zinc/70/77/91/454707791.db2.gz CTDUIHIIBLGTFE-UHFFFAOYSA-N 1 1 346.387 3.114 10 5 EGBEMO Cc1cc(C)c(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000600940065 460652553 /nfs/dbraw/zinc/65/25/53/460652553.db2.gz FRJPCVMOLBSIGQ-UHFFFAOYSA-N 1 1 334.397 3.030 10 5 EGBEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000167841796 454924004 /nfs/dbraw/zinc/92/40/04/454924004.db2.gz UMJQIFIZIWMEGJ-GJZGRUSLSA-N 1 1 329.404 3.325 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[N@H+]4CCC[C@@H]4C3)o2)cc1 ZINC000179546956 455057144 /nfs/dbraw/zinc/05/71/44/455057144.db2.gz TZYRLWGVSYIRCT-MRXNPFEDSA-N 1 1 327.384 3.135 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179959839 455106479 /nfs/dbraw/zinc/10/64/79/455106479.db2.gz JIGYPBHBZKIDEQ-PMGBHYCQSA-N 1 1 332.400 3.272 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191356832 455479839 /nfs/dbraw/zinc/47/98/39/455479839.db2.gz OXSCCWVLSPCCTG-CQSZACIVSA-N 1 1 334.420 3.160 10 5 EGBEMO CC[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000185055957 455492805 /nfs/dbraw/zinc/49/28/05/455492805.db2.gz QLLOHFMWZPIWTQ-MRXNPFEDSA-N 1 1 341.371 3.224 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000185586063 455582051 /nfs/dbraw/zinc/58/20/51/455582051.db2.gz 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CCOc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000301967965 456261034 /nfs/dbraw/zinc/26/10/34/456261034.db2.gz XKABPKFZHAVGOG-OAHLLOKOSA-N 1 1 330.388 3.167 10 5 EGBEMO C[C@@H]1C[N@H+](C(C)(C)CNc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302853635 456417027 /nfs/dbraw/zinc/41/70/27/456417027.db2.gz JWWYAOIXJYPZGV-TXEJJXNPSA-N 1 1 325.384 3.034 10 5 EGBEMO C[C@@H]1C[N@@H+](C(C)(C)CNc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302853635 456417031 /nfs/dbraw/zinc/41/70/31/456417031.db2.gz JWWYAOIXJYPZGV-TXEJJXNPSA-N 1 1 325.384 3.034 10 5 EGBEMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282473704 456525968 /nfs/dbraw/zinc/52/59/68/456525968.db2.gz KWKBHZLWQDGMTB-BQUDOFGOSA-N 1 1 336.407 3.495 10 5 EGBEMO CCOc1cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276850082 456597308 /nfs/dbraw/zinc/59/73/08/456597308.db2.gz DNBUMOUWGHKKKC-GOEBONIOSA-N 1 1 335.448 3.156 10 5 EGBEMO O=[N+]([O-])c1cnccc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343629117 456756096 /nfs/dbraw/zinc/75/60/96/456756096.db2.gz KXJZXMKKMWPMLR-LJQANCHMSA-N 1 1 338.411 3.092 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000353610005 456801625 /nfs/dbraw/zinc/80/16/25/456801625.db2.gz VKPUIFDFRPNBSG-HOTGVXAUSA-N 1 1 326.400 3.340 10 5 EGBEMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000292000731 456825403 /nfs/dbraw/zinc/82/54/03/456825403.db2.gz MFTIPBOQPJIXQX-GFCCVEGCSA-N 1 1 341.839 3.407 10 5 EGBEMO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1C ZINC000348838537 456878108 /nfs/dbraw/zinc/87/81/08/456878108.db2.gz PQYZOGSEKQXLJX-UHFFFAOYSA-N 1 1 333.432 3.128 10 5 EGBEMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1C ZINC000348838537 456878114 /nfs/dbraw/zinc/87/81/14/456878114.db2.gz PQYZOGSEKQXLJX-UHFFFAOYSA-N 1 1 333.432 3.128 10 5 EGBEMO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347020951 457195855 /nfs/dbraw/zinc/19/58/55/457195855.db2.gz VTPWSHCLAYFDPL-HNNXBMFYSA-N 1 1 345.443 3.201 10 5 EGBEMO Cc1c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026245 457445435 /nfs/dbraw/zinc/44/54/35/457445435.db2.gz JBFOQYBSGUKTMW-SUNYJGFJSA-N 1 1 334.416 3.062 10 5 EGBEMO Cc1c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026245 457445443 /nfs/dbraw/zinc/44/54/43/457445443.db2.gz JBFOQYBSGUKTMW-SUNYJGFJSA-N 1 1 334.416 3.062 10 5 EGBEMO Cc1csc(NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000371189992 457819988 /nfs/dbraw/zinc/81/99/88/457819988.db2.gz XXLZTCWIUSYBMY-UHFFFAOYSA-N 1 1 332.429 3.436 10 5 EGBEMO COCC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000426502534 457843943 /nfs/dbraw/zinc/84/39/43/457843943.db2.gz CFTJTYBRMGTZCC-INIZCTEOSA-N 1 1 346.383 3.092 10 5 EGBEMO O=C(CC[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000444703920 457949340 /nfs/dbraw/zinc/94/93/40/457949340.db2.gz SSHAJKWHOWZGGE-LLVKDONJSA-N 1 1 345.321 3.198 10 5 EGBEMO CC[C@H](NC(=O)N1CC[N@@H+](CC)C[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458506330 458073493 /nfs/dbraw/zinc/07/34/93/458073493.db2.gz NPKCVKOAYYDQLF-WBVHZDCISA-N 1 1 348.447 3.172 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)o2)c(Cl)c1 ZINC000428379829 458132018 /nfs/dbraw/zinc/13/20/18/458132018.db2.gz BIXRRCQIRUZKKZ-MRXNPFEDSA-N 1 1 348.786 3.465 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000446913768 458245111 /nfs/dbraw/zinc/24/51/11/458245111.db2.gz IAXWAXIGQJRNFD-UHFFFAOYSA-N 1 1 341.411 3.348 10 5 EGBEMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1 ZINC000430212747 458421546 /nfs/dbraw/zinc/42/15/46/458421546.db2.gz PQNBYQRNCAUXSI-INIZCTEOSA-N 1 1 334.347 3.220 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000424301844 458609529 /nfs/dbraw/zinc/60/95/29/458609529.db2.gz WFNJGMSUETWIHH-RYQLBKOJSA-N 1 1 340.427 3.444 10 5 EGBEMO CO[C@@H]1CC[C@@H]2OCC[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000470172684 458621185 /nfs/dbraw/zinc/62/11/85/458621185.db2.gz AEPIEGHIXQVSDU-IPDPYYILSA-N 1 1 346.427 3.266 10 5 EGBEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000470172684 458621192 /nfs/dbraw/zinc/62/11/92/458621192.db2.gz AEPIEGHIXQVSDU-IPDPYYILSA-N 1 1 346.427 3.266 10 5 EGBEMO O=[N+]([O-])c1cccc(OCC[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000441439234 458942840 /nfs/dbraw/zinc/94/28/40/458942840.db2.gz SSLMDLOOOZNZGX-GOSISDBHSA-N 1 1 334.416 3.397 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000476924309 459022009 /nfs/dbraw/zinc/02/20/09/459022009.db2.gz PAQLIBDLPYAAFP-UHFFFAOYSA-N 1 1 345.443 3.311 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000594738764 459147569 /nfs/dbraw/zinc/14/75/69/459147569.db2.gz MWURSPSMGNQWSM-CTDFLUCESA-N 1 1 337.423 3.343 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000595020710 459218673 /nfs/dbraw/zinc/21/86/73/459218673.db2.gz ZJYGNAHWUJCCEA-NSHDSACASA-N 1 1 334.347 3.086 10 5 EGBEMO COc1ccc([C@H](C)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000595423155 459295446 /nfs/dbraw/zinc/29/54/46/459295446.db2.gz JPGGBGKNENSQJO-CYBMUJFWSA-N 1 1 327.384 3.160 10 5 EGBEMO CN(C(=O)C[N@H+]1CCC[C@@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595837720 459459882 /nfs/dbraw/zinc/45/98/82/459459882.db2.gz SCFIVKHMJKZQDO-OAHLLOKOSA-N 1 1 331.416 3.070 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000485697338 459464844 /nfs/dbraw/zinc/46/48/44/459464844.db2.gz PSPPTEYIAOPKTD-SFHVURJKSA-N 1 1 328.368 3.466 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000485697338 459464851 /nfs/dbraw/zinc/46/48/51/459464851.db2.gz PSPPTEYIAOPKTD-SFHVURJKSA-N 1 1 328.368 3.466 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595874660 459470306 /nfs/dbraw/zinc/47/03/06/459470306.db2.gz YJRXYZBHXSGGMP-UHFFFAOYSA-N 1 1 346.431 3.460 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596439716 459636681 /nfs/dbraw/zinc/63/66/81/459636681.db2.gz GHEIPTZALMNECS-NSHDSACASA-N 1 1 340.811 3.243 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598473 459692065 /nfs/dbraw/zinc/69/20/65/459692065.db2.gz HKCUHTRPDIQWNR-CYBMUJFWSA-N 1 1 328.416 3.474 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598473 459692069 /nfs/dbraw/zinc/69/20/69/459692069.db2.gz HKCUHTRPDIQWNR-CYBMUJFWSA-N 1 1 328.416 3.474 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000544115699 459729635 /nfs/dbraw/zinc/72/96/35/459729635.db2.gz VTAAQUAOTPNLIW-CQSZACIVSA-N 1 1 347.415 3.220 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000593189670 459802139 /nfs/dbraw/zinc/80/21/39/459802139.db2.gz XQNDRVXBGGOQLS-UTUOFQBUSA-N 1 1 339.823 3.110 10 5 EGBEMO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](Cc2ccccc2)C1 ZINC000593505992 459909756 /nfs/dbraw/zinc/90/97/56/459909756.db2.gz ZTAFMYNGEPMUGI-HNNXBMFYSA-N 1 1 346.818 3.006 10 5 EGBEMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](Cc2ccccc2)C1 ZINC000593505992 459909762 /nfs/dbraw/zinc/90/97/62/459909762.db2.gz ZTAFMYNGEPMUGI-HNNXBMFYSA-N 1 1 346.818 3.006 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598677648 459990244 /nfs/dbraw/zinc/99/02/44/459990244.db2.gz QTQKBFHOBHOOTN-JSGCOSHPSA-N 1 1 336.342 3.053 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCc3sccc3C2)c1 ZINC000589498468 460095347 /nfs/dbraw/zinc/09/53/47/460095347.db2.gz YKQQPQPPIAKQQL-UHFFFAOYSA-N 1 1 346.408 3.391 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCc3sccc3C2)c1 ZINC000589498468 460095350 /nfs/dbraw/zinc/09/53/50/460095350.db2.gz YKQQPQPPIAKQQL-UHFFFAOYSA-N 1 1 346.408 3.391 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1 ZINC000589501964 460096179 /nfs/dbraw/zinc/09/61/79/460096179.db2.gz 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COC(=O)C1C[C@H](C)[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599687347 460310997 /nfs/dbraw/zinc/31/09/97/460310997.db2.gz BHIAMHQSJBAFAF-QWRGUYRKSA-N 1 1 340.807 3.410 10 5 EGBEMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000600471993 460500750 /nfs/dbraw/zinc/50/07/50/460500750.db2.gz WLDASBRKBBOJBT-HNNXBMFYSA-N 1 1 345.443 3.006 10 5 EGBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601461356 460815219 /nfs/dbraw/zinc/81/52/19/460815219.db2.gz BNZBRQRLBLXHLU-UHFFFAOYSA-N 1 1 349.406 3.142 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247060476 535586765 /nfs/dbraw/zinc/58/67/65/535586765.db2.gz OAKDVZVVIQJQRR-ZBFHGGJFSA-N 1 1 348.447 3.090 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC4(C3)CCCCC4)n2)c1 ZINC000172937999 1294450393 /nfs/dbraw/zinc/45/03/93/1294450393.db2.gz JCNGFXVLWGLGPW-UHFFFAOYSA-N 1 1 341.415 3.467 10 5 EGBEMO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024868 1296668547 /nfs/dbraw/zinc/66/85/47/1296668547.db2.gz WSJOIDZAHKQYDZ-LBPRGKRZSA-N 1 1 337.395 3.224 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC000872236971 1296837729 /nfs/dbraw/zinc/83/77/29/1296837729.db2.gz XZVVDFRPFWKQLR-MOPGFXCFSA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC000872236971 1296837752 /nfs/dbraw/zinc/83/77/52/1296837752.db2.gz XZVVDFRPFWKQLR-MOPGFXCFSA-N 1 1 347.459 3.015 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000895721636 1309489850 /nfs/dbraw/zinc/48/98/50/1309489850.db2.gz DURXVQFTWCYQDO-INIZCTEOSA-N 1 1 348.443 3.082 10 5 EGBEMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000917075650 1319750241 /nfs/dbraw/zinc/75/02/41/1319750241.db2.gz PVBVMTWYODKWND-BETUJISGSA-N 1 1 347.419 3.301 10 5 EGBEMO Cc1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)nn1 ZINC000930638381 1328921559 /nfs/dbraw/zinc/92/15/59/1328921559.db2.gz NPXFYGNWCNLKNT-INIZCTEOSA-N 1 1 326.400 3.381 10 5 EGBEMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859925609 1329111116 /nfs/dbraw/zinc/11/11/16/1329111116.db2.gz PQTWKHAHJHEEPI-XHDPSFHLSA-N 1 1 345.226 3.496 10 5 EGBEMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859925609 1329111123 /nfs/dbraw/zinc/11/11/23/1329111123.db2.gz PQTWKHAHJHEEPI-XHDPSFHLSA-N 1 1 345.226 3.496 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000926948349 1327790102 /nfs/dbraw/zinc/79/01/02/1327790102.db2.gz DUMPEUNUUYUZNC-KRWDZBQOSA-N 1 1 326.400 3.364 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862162805 1329463335 /nfs/dbraw/zinc/46/33/35/1329463335.db2.gz NIMRADBHDNULOW-AWEZNQCLSA-N 1 1 341.411 3.351 10 5 EGBEMO CC1(C)CCC(C)(C)[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001196274272 1368581832 /nfs/dbraw/zinc/58/18/32/1368581832.db2.gz DVLGXSGJPZIFME-UHFFFAOYSA-N 1 1 345.443 3.385 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=CC12CCCCC2 ZINC001198801651 1369117636 /nfs/dbraw/zinc/11/76/36/1369117636.db2.gz VHTKSLTXJHKUIC-UHFFFAOYSA-N 1 1 329.400 3.416 10 5 EGBEMO CCC[N@H+](CCNC(=O)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267309028 1377438648 /nfs/dbraw/zinc/43/86/48/1377438648.db2.gz DVBNXCSCZSZELW-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CCC[N@@H+](CCNC(=O)C1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267309028 1377438650 /nfs/dbraw/zinc/43/86/50/1377438650.db2.gz DVBNXCSCZSZELW-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001294219754 1382428198 /nfs/dbraw/zinc/42/81/98/1382428198.db2.gz NYZVDTDZJGKFJH-SJLPKXTDSA-N 1 1 345.443 3.051 10 5 EGBEMO CCC[N@H+]1CCC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001294224109 1382429887 /nfs/dbraw/zinc/42/98/87/1382429887.db2.gz RTMIZOZLNPWYNV-KRWDZBQOSA-N 1 1 347.459 3.156 10 5 EGBEMO CCCCCC[N@@H+](C)CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001163351430 1383028305 /nfs/dbraw/zinc/02/83/05/1383028305.db2.gz ZKNNIUHPDWIJQF-UHFFFAOYSA-N 1 1 343.374 3.001 10 5 EGBEMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001163682062 1383104785 /nfs/dbraw/zinc/10/47/85/1383104785.db2.gz YRBKQQYJYQUKPA-KRWDZBQOSA-N 1 1 325.412 3.348 10 5 EGBEMO CC[N@H+]1CCC[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001164243632 1383170477 /nfs/dbraw/zinc/17/04/77/1383170477.db2.gz YFODUGSTLOEOFW-JTQLQIEISA-N 1 1 335.795 3.088 10 5 EGBEMO C[N@H+]1CCCC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001164294179 1383175371 /nfs/dbraw/zinc/17/53/71/1383175371.db2.gz JBOLJGLMRXHOBU-JTQLQIEISA-N 1 1 335.795 3.088 10 5 EGBEMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001306932876 1383922280 /nfs/dbraw/zinc/92/22/80/1383922280.db2.gz PSGNFOMWHUJUPS-ZIAGYGMSSA-N 1 1 346.818 3.257 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001306942546 1383923655 /nfs/dbraw/zinc/92/36/55/1383923655.db2.gz UXIGDPOUNSOTDP-HZSPNIEDSA-N 1 1 349.431 3.160 10 5 EGBEMO CCCC[N@@H+](C)C[C@@H](C)Nc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001307132968 1383943141 /nfs/dbraw/zinc/94/31/41/1383943141.db2.gz OQMAIXJNMNMFTJ-CYBMUJFWSA-N 1 1 346.431 3.106 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c1 ZINC001308119462 1384097427 /nfs/dbraw/zinc/09/74/27/1384097427.db2.gz UFUMJUQBXSXIOV-DNQNPRGNSA-N 1 1 344.411 3.249 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC001171811166 1384646023 /nfs/dbraw/zinc/64/60/23/1384646023.db2.gz VRTCHBMUYBOLQW-BRWVUGGUSA-N 1 1 346.427 3.457 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1cccc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001317476643 1385172339 /nfs/dbraw/zinc/17/23/39/1385172339.db2.gz XCEGCYZQRMSVHK-UHFFFAOYSA-N 1 1 341.411 3.155 10 5 EGBEMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC001175193388 1385216488 /nfs/dbraw/zinc/21/64/88/1385216488.db2.gz CIQNFAWGJYSIKO-OALUTQOASA-N 1 1 342.395 3.172 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)c(Br)c1 ZINC001320413316 1386602547 /nfs/dbraw/zinc/60/25/47/1386602547.db2.gz XMAYNVZHSYHPRO-SECBINFHSA-N 1 1 335.148 3.444 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)c(Br)c1 ZINC001320413316 1386602552 /nfs/dbraw/zinc/60/25/52/1386602552.db2.gz XMAYNVZHSYHPRO-SECBINFHSA-N 1 1 335.148 3.444 10 5 EGBEMO CC(C)=C(C)CC(=O)NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001321190558 1386836121 /nfs/dbraw/zinc/83/61/21/1386836121.db2.gz VMGCPYBZFIDHDA-SNAWJCMRSA-N 1 1 337.445 3.165 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@@H](CCF)C3)c2)c1 ZINC001333723050 1390384050 /nfs/dbraw/zinc/38/40/50/1390384050.db2.gz SKGATGNBCDZQOI-AWEZNQCLSA-N 1 1 332.379 3.487 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CCC[C@H](CCF)C3)c2)c1 ZINC001333723051 1390384200 /nfs/dbraw/zinc/38/42/00/1390384200.db2.gz SKGATGNBCDZQOI-CQSZACIVSA-N 1 1 332.379 3.487 10 5 EGBEMO Cc1cnc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111871 1390441973 /nfs/dbraw/zinc/44/19/73/1390441973.db2.gz NHWSRTCGQHSBOM-GDBMZVCRSA-N 1 1 330.363 3.295 10 5 EGBEMO C/C(=C\C(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001481161681 1393138723 /nfs/dbraw/zinc/13/87/23/1393138723.db2.gz SXSRTVIUBVHRCI-WYMLVPIESA-N 1 1 343.427 3.032 10 5 EGBEMO C/C(=C\C(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC001481161681 1393138724 /nfs/dbraw/zinc/13/87/24/1393138724.db2.gz SXSRTVIUBVHRCI-WYMLVPIESA-N 1 1 343.427 3.032 10 5 EGBEMO CC/C(C)=C\C(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481168192 1393140544 /nfs/dbraw/zinc/14/05/44/1393140544.db2.gz NWXDHVVDQVVBRM-OWBHPGMISA-N 1 1 331.416 3.032 10 5 EGBEMO CC/C(C)=C\C(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481168192 1393140545 /nfs/dbraw/zinc/14/05/45/1393140545.db2.gz NWXDHVVDQVVBRM-OWBHPGMISA-N 1 1 331.416 3.032 10 5 EGBEMO Cc1ccc(C)c(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001690991127 1404909003 /nfs/dbraw/zinc/90/90/03/1404909003.db2.gz NYJVEYXDXKCOIG-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO Cc1ccc(C)c(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001690991127 1404909004 /nfs/dbraw/zinc/90/90/04/1404909004.db2.gz NYJVEYXDXKCOIG-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO CC[N@H+](CCCNC(=O)C1=CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001713011276 1417565462 /nfs/dbraw/zinc/56/54/62/1417565462.db2.gz VPAWFCVKWUVYAX-UHFFFAOYSA-N 1 1 337.445 3.095 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C1=CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001713011276 1417565466 /nfs/dbraw/zinc/56/54/66/1417565466.db2.gz VPAWFCVKWUVYAX-UHFFFAOYSA-N 1 1 337.445 3.095 10 5 EGBEMO Cc1cccc(C)c1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713468857 1418134478 /nfs/dbraw/zinc/13/44/78/1418134478.db2.gz PAIKSARGHJQMRV-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO CC(C)(C(=O)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001713561220 1418362016 /nfs/dbraw/zinc/36/20/16/1418362016.db2.gz ISUXJYKGPIATAQ-UHFFFAOYSA-N 1 1 345.443 3.112 10 5 EGBEMO C[N@H+](CCNC(=O)CCC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001714531820 1419258460 /nfs/dbraw/zinc/25/84/60/1419258460.db2.gz RQTZPKZBGLWVQF-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO C[N@@H+](CCNC(=O)CCC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001714531820 1419258462 /nfs/dbraw/zinc/25/84/62/1419258462.db2.gz RQTZPKZBGLWVQF-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC(C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])=C1CCCC1 ZINC001714545033 1419271336 /nfs/dbraw/zinc/27/13/36/1419271336.db2.gz MRULUQZVTWKMQA-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO CC(C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])=C1CCCC1 ZINC001714545033 1419271337 /nfs/dbraw/zinc/27/13/37/1419271337.db2.gz MRULUQZVTWKMQA-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO Cc1cc(C)c(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC001714546117 1419272747 /nfs/dbraw/zinc/27/27/47/1419272747.db2.gz USOFACUHTUORBS-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO Cc1cc(C)c(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC001714546117 1419272750 /nfs/dbraw/zinc/27/27/50/1419272750.db2.gz USOFACUHTUORBS-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO O=C(NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1=CCCC1 ZINC001731330734 1427270131 /nfs/dbraw/zinc/27/01/31/1427270131.db2.gz KDCYJJPNDBWIMD-UHFFFAOYSA-N 1 1 343.427 3.176 10 5 EGBEMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183348589 533127599 /nfs/dbraw/zinc/12/75/99/533127599.db2.gz CQJBYFZBVXOCAT-GOSISDBHSA-N 1 1 330.384 3.077 10 5 EGBEMO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCN1CC(F)F ZINC000346196224 141178377 /nfs/dbraw/zinc/17/83/77/141178377.db2.gz SOGAJOVWNDLTNC-CQSZACIVSA-N 1 1 327.375 3.065 10 5 EGBEMO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCN1CC(F)F ZINC000346196224 141178379 /nfs/dbraw/zinc/17/83/79/141178379.db2.gz SOGAJOVWNDLTNC-CQSZACIVSA-N 1 1 327.375 3.065 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CC=C(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000117895391 152119451 /nfs/dbraw/zinc/11/94/51/152119451.db2.gz VAIYOGKNPUZPAZ-UHFFFAOYSA-N 1 1 343.408 3.045 10 5 EGBEMO NC(=O)c1ccc(C[N@@H+]2CC=C(c3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000117895391 152119458 /nfs/dbraw/zinc/11/94/58/152119458.db2.gz VAIYOGKNPUZPAZ-UHFFFAOYSA-N 1 1 343.408 3.045 10 5 EGBEMO COC(=O)[C@H](C)C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000121106117 152326341 /nfs/dbraw/zinc/32/63/41/152326341.db2.gz DMFRGKDQZILJBW-CYBMUJFWSA-N 1 1 348.424 3.468 10 5 EGBEMO COC(=O)[C@H](C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000121106117 152326343 /nfs/dbraw/zinc/32/63/43/152326343.db2.gz DMFRGKDQZILJBW-CYBMUJFWSA-N 1 1 348.424 3.468 10 5 EGBEMO C[C@H]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000337321484 154282392 /nfs/dbraw/zinc/28/23/92/154282392.db2.gz QEGSNPZUESOWMS-KSSFIOAISA-N 1 1 331.416 3.436 10 5 EGBEMO CC1=CC[N@@H+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000339978805 155058556 /nfs/dbraw/zinc/05/85/56/155058556.db2.gz SWVHWEODNUCPBC-UHFFFAOYSA-N 1 1 330.310 3.073 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccncc1[N+](=O)[O-] ZINC000340154564 155116436 /nfs/dbraw/zinc/11/64/36/155116436.db2.gz IGQQGRQYTABJHP-OAHLLOKOSA-N 1 1 340.427 3.398 10 5 EGBEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343960086 164073119 /nfs/dbraw/zinc/07/31/19/164073119.db2.gz HTSMDJBEMPLUHC-JSGCOSHPSA-N 1 1 347.415 3.052 10 5 EGBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000354894478 166058113 /nfs/dbraw/zinc/05/81/13/166058113.db2.gz XXXNWMDSQKIEMP-UHFFFAOYSA-N 1 1 337.445 3.064 10 5 EGBEMO C[C@H]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000359559855 167193367 /nfs/dbraw/zinc/19/33/67/167193367.db2.gz POVVJDMFVOOMNG-KSSFIOAISA-N 1 1 331.416 3.436 10 5 EGBEMO C[N@H+]1CC[C@@H](NCc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367389688 168218727 /nfs/dbraw/zinc/21/87/27/168218727.db2.gz WOMYRJNSAFZLKP-SJLPKXTDSA-N 1 1 329.375 3.269 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000193637710 266050245 /nfs/dbraw/zinc/05/02/45/266050245.db2.gz BFBSDOREMBUVJH-NWDGAFQWSA-N 1 1 347.371 3.183 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000352022766 274093788 /nfs/dbraw/zinc/09/37/88/274093788.db2.gz QWLNDESXXMODQR-LJQANCHMSA-N 1 1 340.379 3.235 10 5 EGBEMO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000342283303 274245462 /nfs/dbraw/zinc/24/54/62/274245462.db2.gz QKJVGDYXKVPWGM-SNVBAGLBSA-N 1 1 335.310 3.162 10 5 EGBEMO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000353151142 277327873 /nfs/dbraw/zinc/32/78/73/277327873.db2.gz UKTBLPLLNCNJQH-GOSISDBHSA-N 1 1 346.358 3.302 10 5 EGBEMO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nnc2n1CCCC2 ZINC000192911203 278371681 /nfs/dbraw/zinc/37/16/81/278371681.db2.gz QLPVWHHRFNEIRW-MLGOLLRUSA-N 1 1 341.415 3.251 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH+]2CC(CCO)C2)ccc1Oc1ccc(F)cc1 ZINC000459599757 310563763 /nfs/dbraw/zinc/56/37/63/310563763.db2.gz ZVNUZLOSFYSZGD-UHFFFAOYSA-N 1 1 346.358 3.340 10 5 EGBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC(F)(F)F)CC1 ZINC000489083078 311092163 /nfs/dbraw/zinc/09/21/63/311092163.db2.gz YDVCGKBRUISAPR-UHFFFAOYSA-N 1 1 331.338 3.053 10 5 EGBEMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000504567731 312008194 /nfs/dbraw/zinc/00/81/94/312008194.db2.gz HKQNBJWAIZUZTR-INIZCTEOSA-N 1 1 333.432 3.288 10 5 EGBEMO Cc1cccc(C[NH+]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)c1 ZINC000541007389 314429192 /nfs/dbraw/zinc/42/91/92/314429192.db2.gz XQDVRULNVQXMQU-UHFFFAOYSA-N 1 1 340.427 3.237 10 5 EGBEMO COc1ccc([N+](=O)[O-])c(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000548334294 314995885 /nfs/dbraw/zinc/99/58/85/314995885.db2.gz XJLDTYNJQCTRGW-ZDUSSCGKSA-N 1 1 342.399 3.130 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)cc1[N+](=O)[O-] ZINC000579002373 325049171 /nfs/dbraw/zinc/04/91/71/325049171.db2.gz ZEFDFNVSUJZLKH-OAHLLOKOSA-N 1 1 327.384 3.296 10 5 EGBEMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000041887958 453982693 /nfs/dbraw/zinc/98/26/93/453982693.db2.gz UQOTZOZIYHXLTE-UHFFFAOYSA-N 1 1 331.372 3.265 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000120404820 454297354 /nfs/dbraw/zinc/29/73/54/454297354.db2.gz GTXUGHGGJUOIKE-DOMZBBRYSA-N 1 1 334.420 3.097 10 5 EGBEMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC000090530807 454317309 /nfs/dbraw/zinc/31/73/09/454317309.db2.gz NAXOAVBKFXZNOB-WCQYABFASA-N 1 1 332.404 3.307 10 5 EGBEMO O=[N+]([O-])c1cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000047265449 454349353 /nfs/dbraw/zinc/34/93/53/454349353.db2.gz DURIICJMOSPREY-UHFFFAOYSA-N 1 1 331.441 3.364 10 5 EGBEMO C[N@H+](CCOCCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000051383364 454620873 /nfs/dbraw/zinc/62/08/73/454620873.db2.gz BVDUMURBLPKVSE-UHFFFAOYSA-N 1 1 330.384 3.122 10 5 EGBEMO C[N@@H+](CCOCCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000051383364 454620880 /nfs/dbraw/zinc/62/08/80/454620880.db2.gz BVDUMURBLPKVSE-UHFFFAOYSA-N 1 1 330.384 3.122 10 5 EGBEMO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216560 454686269 /nfs/dbraw/zinc/68/62/69/454686269.db2.gz LXUKRIVQKNBRHV-INIZCTEOSA-N 1 1 344.415 3.199 10 5 EGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216560 454686272 /nfs/dbraw/zinc/68/62/72/454686272.db2.gz LXUKRIVQKNBRHV-INIZCTEOSA-N 1 1 344.415 3.199 10 5 EGBEMO COc1ccccc1NC1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000093817081 454737286 /nfs/dbraw/zinc/73/72/86/454737286.db2.gz GPJMZMWKMAKZRX-UHFFFAOYSA-N 1 1 331.372 3.273 10 5 EGBEMO COc1ccccc1OCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153134061 454763647 /nfs/dbraw/zinc/76/36/47/454763647.db2.gz FMKVLDJULWYJPA-UHFFFAOYSA-N 1 1 328.368 3.041 10 5 EGBEMO COc1ccccc1OCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153134061 454763650 /nfs/dbraw/zinc/76/36/50/454763650.db2.gz FMKVLDJULWYJPA-UHFFFAOYSA-N 1 1 328.368 3.041 10 5 EGBEMO Cc1sc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000149370431 454875778 /nfs/dbraw/zinc/87/57/78/454875778.db2.gz AESGFFZFPXJVSN-GFCCVEGCSA-N 1 1 339.461 3.349 10 5 EGBEMO CCn1cnnc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182151174 455447413 /nfs/dbraw/zinc/44/74/13/455447413.db2.gz OJSYELAHOYZSBL-UHFFFAOYSA-N 1 1 349.822 3.239 10 5 EGBEMO CC[C@@H]1[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC[N@H+]1C ZINC000601011023 460675086 /nfs/dbraw/zinc/67/50/86/460675086.db2.gz MMJSTQXBTUXXHS-DLBZAZTESA-N 1 1 333.432 3.062 10 5 EGBEMO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000283797714 455595022 /nfs/dbraw/zinc/59/50/22/455595022.db2.gz ACFVOWQDSNBGDQ-LJQANCHMSA-N 1 1 343.427 3.304 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cs1 ZINC000277739369 455651539 /nfs/dbraw/zinc/65/15/39/455651539.db2.gz KQWJVJBEUFDFFK-UHFFFAOYSA-N 1 1 346.452 3.474 10 5 EGBEMO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284289838 455663310 /nfs/dbraw/zinc/66/33/10/455663310.db2.gz XWKLWZIRORWGQZ-LBPRGKRZSA-N 1 1 346.406 3.229 10 5 EGBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000248643360 455724623 /nfs/dbraw/zinc/72/46/23/455724623.db2.gz NFYNJXZSEYDHNC-CABCVRRESA-N 1 1 346.431 3.302 10 5 EGBEMO CCOc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268981279 455753302 /nfs/dbraw/zinc/75/33/02/455753302.db2.gz OVLIWUTVKALRHZ-CYBMUJFWSA-N 1 1 343.383 3.283 10 5 EGBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000301272571 456076453 /nfs/dbraw/zinc/07/64/53/456076453.db2.gz YCOHJFYKHHHGET-GFCCVEGCSA-N 1 1 329.322 3.288 10 5 EGBEMO COc1cc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000301609221 456161005 /nfs/dbraw/zinc/16/10/05/456161005.db2.gz AWSRTACOASHVTL-UHFFFAOYSA-N 1 1 345.374 3.065 10 5 EGBEMO Cc1[nH+]ccn1-c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000301744014 456203656 /nfs/dbraw/zinc/20/36/56/456203656.db2.gz MUIDDRVAVSKGER-UHFFFAOYSA-N 1 1 344.762 3.144 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000297532226 456244460 /nfs/dbraw/zinc/24/44/60/456244460.db2.gz IHQMVGOQPZLXKF-KEYYUXOJSA-N 1 1 348.447 3.028 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000601133053 460725469 /nfs/dbraw/zinc/72/54/69/460725469.db2.gz SJMIRAHCVPOBAU-UONOGXRCSA-N 1 1 327.384 3.396 10 5 EGBEMO C[C@@](CO)([NH2+]Cc1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601149376 460732714 /nfs/dbraw/zinc/73/27/14/460732714.db2.gz MLBPIUKGYISTCQ-INIZCTEOSA-N 1 1 338.766 3.385 10 5 EGBEMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CC=CCC1 ZINC000344081424 456795089 /nfs/dbraw/zinc/79/50/89/456795089.db2.gz ZYIMFTIPTLDQSY-AWEZNQCLSA-N 1 1 345.399 3.181 10 5 EGBEMO CO[C@@H](C)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000353766702 456897631 /nfs/dbraw/zinc/89/76/31/456897631.db2.gz IBEMUHHRKJUYRE-AWEZNQCLSA-N 1 1 346.431 3.241 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C ZINC000354393604 457195610 /nfs/dbraw/zinc/19/56/10/457195610.db2.gz LEGUBXBCVWXSEE-OLZOCXBDSA-N 1 1 344.415 3.021 10 5 EGBEMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000342288093 457213895 /nfs/dbraw/zinc/21/38/95/457213895.db2.gz YPSAMBPNGJTHRR-NSHDSACASA-N 1 1 332.331 3.371 10 5 EGBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000356951337 457240397 /nfs/dbraw/zinc/24/03/97/457240397.db2.gz ADXYWUWCJPFZCV-UHFFFAOYSA-N 1 1 331.416 3.003 10 5 EGBEMO C[N@@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000351657109 457308202 /nfs/dbraw/zinc/30/82/02/457308202.db2.gz YSMCLWFGCQRECL-UHFFFAOYSA-N 1 1 338.383 3.120 10 5 EGBEMO Cc1ccncc1C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000361422579 457727069 /nfs/dbraw/zinc/72/70/69/457727069.db2.gz NEYKPKMBXKITHG-UHFFFAOYSA-N 1 1 342.399 3.067 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371279736 457847659 /nfs/dbraw/zinc/84/76/59/457847659.db2.gz KRCSRDMVSUCDCE-SECBINFHSA-N 1 1 337.177 3.050 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371279736 457847664 /nfs/dbraw/zinc/84/76/64/457847664.db2.gz KRCSRDMVSUCDCE-SECBINFHSA-N 1 1 337.177 3.050 10 5 EGBEMO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000411474241 457898052 /nfs/dbraw/zinc/89/80/52/457898052.db2.gz LNUHXOOOZMDGGL-ZDUSSCGKSA-N 1 1 343.383 3.326 10 5 EGBEMO COc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429262803 458302154 /nfs/dbraw/zinc/30/21/54/458302154.db2.gz HCWYHDQXKHGBSY-UHFFFAOYSA-N 1 1 343.383 3.067 10 5 EGBEMO Cc1c(NC(=O)NCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000502361566 458646063 /nfs/dbraw/zinc/64/60/63/458646063.db2.gz AQEYJDUORZDUNI-UHFFFAOYSA-N 1 1 334.420 3.289 10 5 EGBEMO COc1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c([N+](=O)[O-])c1 ZINC000470959458 458669775 /nfs/dbraw/zinc/66/97/75/458669775.db2.gz NUZBYDAOMXGZAG-ZYHUDNBSSA-N 1 1 348.321 3.255 10 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CC(C)=CC(=O)N(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC001717945144 1421708805 /nfs/dbraw/zinc/70/88/05/1421708805.db2.gz IQSLUBJJRULASR-UHFFFAOYSA-N 1 1 333.432 3.230 10 5 EGBEMO CC(C)=CC(=O)N(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC001717945144 1421708807 /nfs/dbraw/zinc/70/88/07/1421708807.db2.gz IQSLUBJJRULASR-UHFFFAOYSA-N 1 1 333.432 3.230 10 5 EGBEMO CCc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001731776998 1427895124 /nfs/dbraw/zinc/89/51/24/1427895124.db2.gz PFZVMAWLWFGTFE-UHFFFAOYSA-N 1 1 347.440 3.081 10 5 EGBEMO CC[C@H](NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000132287478 529527201 /nfs/dbraw/zinc/52/72/01/529527201.db2.gz HBRVAAFJFMIBPZ-JQFCIGGWSA-N 1 1 348.447 3.074 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000265996430 248009699 /nfs/dbraw/zinc/00/96/99/248009699.db2.gz NXBULZJRJZEWCL-DOMZBBRYSA-N 1 1 345.399 3.143 10 5 EGBEMO CCOC(=O)[C@@H]1CCC[C@H]1[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 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LXAYCVBWXJCKJT-CHWSQXEVSA-N 1 1 336.388 3.003 10 5 EGBEMO C[C@H]1CCCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343880701 164057187 /nfs/dbraw/zinc/05/71/87/164057187.db2.gz GLXOMWOWAJRNEZ-ZDUSSCGKSA-N 1 1 333.388 3.157 10 5 EGBEMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000344031719 164087260 /nfs/dbraw/zinc/08/72/60/164087260.db2.gz CVCWZTRQBUQUHX-UONOGXRCSA-N 1 1 347.415 3.219 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000355656708 166274573 /nfs/dbraw/zinc/27/45/73/166274573.db2.gz KKVZANMRZWOMQW-UVTDQMKNSA-N 1 1 330.384 3.394 10 5 EGBEMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000359311435 167122740 /nfs/dbraw/zinc/12/27/40/167122740.db2.gz UKMBPBLTHGYNKC-ACJLOTCBSA-N 1 1 332.400 3.473 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178530782 265324112 /nfs/dbraw/zinc/32/41/12/265324112.db2.gz CPWFTRACEQSHAU-GFCCVEGCSA-N 1 1 340.807 3.412 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178530782 265324116 /nfs/dbraw/zinc/32/41/16/265324116.db2.gz CPWFTRACEQSHAU-GFCCVEGCSA-N 1 1 340.807 3.412 10 5 EGBEMO Cn1cccc1[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269635403 266332145 /nfs/dbraw/zinc/33/21/45/266332145.db2.gz HDMIFGWDPWDQCD-MSOLQXFVSA-N 1 1 329.400 3.194 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000273435959 267038951 /nfs/dbraw/zinc/03/89/51/267038951.db2.gz MDFMDMRIOQKPNA-HNNXBMFYSA-N 1 1 341.415 3.278 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000273435959 267038953 /nfs/dbraw/zinc/03/89/53/267038953.db2.gz MDFMDMRIOQKPNA-HNNXBMFYSA-N 1 1 341.415 3.278 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000273435959 267038956 /nfs/dbraw/zinc/03/89/56/267038956.db2.gz MDFMDMRIOQKPNA-HNNXBMFYSA-N 1 1 341.415 3.278 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000359088667 280399361 /nfs/dbraw/zinc/39/93/61/280399361.db2.gz AEBXDNUCKXFTKG-ZBFHGGJFSA-N 1 1 330.432 3.060 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000255292953 308045339 /nfs/dbraw/zinc/04/53/39/308045339.db2.gz HFYOFFIZUCUWPD-XQRVVYSFSA-N 1 1 339.395 3.136 10 5 EGBEMO Cc1c(Cc2noc([C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)cccc1[N+](=O)[O-] ZINC000420488250 309287984 /nfs/dbraw/zinc/28/79/84/309287984.db2.gz PZEFNMIITNWOBP-FZMZJTMJSA-N 1 1 330.388 3.075 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420989109 309306336 /nfs/dbraw/zinc/30/63/36/309306336.db2.gz BUUVPVBBHPBYTK-INIZCTEOSA-N 1 1 334.416 3.261 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420989109 309306337 /nfs/dbraw/zinc/30/63/37/309306337.db2.gz BUUVPVBBHPBYTK-INIZCTEOSA-N 1 1 334.416 3.261 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451872365 310201372 /nfs/dbraw/zinc/20/13/72/310201372.db2.gz MGONQYKATXLMHH-QWHCGFSZSA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451872365 310201373 /nfs/dbraw/zinc/20/13/73/310201373.db2.gz MGONQYKATXLMHH-QWHCGFSZSA-N 1 1 345.365 3.472 10 5 EGBEMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489857191 311122635 /nfs/dbraw/zinc/12/26/35/311122635.db2.gz LARJPAFGDCEQFO-UHFFFAOYSA-N 1 1 325.796 3.451 10 5 EGBEMO CCc1cccc(F)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525977015 312776593 /nfs/dbraw/zinc/77/65/93/312776593.db2.gz YYEOUTFRTVEFDW-UHFFFAOYSA-N 1 1 344.390 3.014 10 5 EGBEMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cscn1 ZINC000581081674 325328734 /nfs/dbraw/zinc/32/87/34/325328734.db2.gz CLGMXPMNLAIKLC-QWRGUYRKSA-N 1 1 334.401 3.119 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000046551268 454262788 /nfs/dbraw/zinc/26/27/88/454262788.db2.gz SPMSRFWLEPXQGL-BEFAXECRSA-N 1 1 344.411 3.165 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)n2)c1 ZINC000048340502 454474810 /nfs/dbraw/zinc/47/48/10/454474810.db2.gz SOXGNLHFNDNHTA-PBHICJAKSA-N 1 1 341.415 3.465 10 5 EGBEMO CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000051060800 454607904 /nfs/dbraw/zinc/60/79/04/454607904.db2.gz FPGVZMDULHTFTH-HOCLYGCPSA-N 1 1 333.432 3.284 10 5 EGBEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000105885410 454663555 /nfs/dbraw/zinc/66/35/55/454663555.db2.gz YDYAZCXMFGMNQL-INIZCTEOSA-N 1 1 343.431 3.024 10 5 EGBEMO C[NH+](C)CCNc1ccc(C=O)c2sc3ccccc3c(=O)c12 ZINC000144215180 454847364 /nfs/dbraw/zinc/84/73/64/454847364.db2.gz NYDIVLHRZNHVFT-UHFFFAOYSA-N 1 1 326.421 3.201 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000185504354 455569634 /nfs/dbraw/zinc/56/96/34/455569634.db2.gz DSDQLCMPKIBWAL-YXJHDRRASA-N 1 1 347.459 3.008 10 5 EGBEMO COc1cc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000292364802 455642514 /nfs/dbraw/zinc/64/25/14/455642514.db2.gz ROWZXQAFXOZHQK-LBPRGKRZSA-N 1 1 337.395 3.053 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248621005 455723295 /nfs/dbraw/zinc/72/32/95/455723295.db2.gz COFUIRLITHVMNE-KBPBESRZSA-N 1 1 334.420 3.158 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cc(F)ccc1F ZINC000285445703 455848050 /nfs/dbraw/zinc/84/80/50/455848050.db2.gz XZDYRSIZSCAMFZ-QGZVFWFLSA-N 1 1 336.338 3.081 10 5 EGBEMO COc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000221948825 456044754 /nfs/dbraw/zinc/04/47/54/456044754.db2.gz PZBRCUUCGLBWSR-SUMWQHHRSA-N 1 1 330.384 3.330 10 5 EGBEMO CCOc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000301597416 456157392 /nfs/dbraw/zinc/15/73/92/456157392.db2.gz SSIIHYLVNIJOIY-ZBFHGGJFSA-N 1 1 333.432 3.445 10 5 EGBEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000337309369 456344866 /nfs/dbraw/zinc/34/48/66/456344866.db2.gz ZELMMOOYQIXXDR-IHHFWDAISA-N 1 1 336.407 3.495 10 5 EGBEMO Cc1cccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000302467402 456346651 /nfs/dbraw/zinc/34/66/51/456346651.db2.gz BRNQRCKLMQLGQL-UHFFFAOYSA-N 1 1 341.411 3.348 10 5 EGBEMO COCC[C@H](c1ccccc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347785714 456366833 /nfs/dbraw/zinc/36/68/33/456366833.db2.gz NYBISTQYFLFESM-GOSISDBHSA-N 1 1 327.384 3.126 10 5 EGBEMO COCC[C@H](c1ccccc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347785714 456366837 /nfs/dbraw/zinc/36/68/37/456366837.db2.gz NYBISTQYFLFESM-GOSISDBHSA-N 1 1 327.384 3.126 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000338186850 456692517 /nfs/dbraw/zinc/69/25/17/456692517.db2.gz TUGNKBDEUNUSIM-VIBAHUMZSA-N 1 1 348.443 3.365 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000299641483 456752173 /nfs/dbraw/zinc/75/21/73/456752173.db2.gz NFJNIEBJQPVCAV-AWEZNQCLSA-N 1 1 333.432 3.145 10 5 EGBEMO CCC[N@@H+](C)C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291892214 456790274 /nfs/dbraw/zinc/79/02/74/456790274.db2.gz JNWLXENMHBVVFY-AWEZNQCLSA-N 1 1 328.416 3.311 10 5 EGBEMO CC(C)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000291976103 456818188 /nfs/dbraw/zinc/81/81/88/456818188.db2.gz VXIBYWXKVGWOPK-MRXNPFEDSA-N 1 1 331.372 3.249 10 5 EGBEMO CC(C)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000291976103 456818191 /nfs/dbraw/zinc/81/81/91/456818191.db2.gz VXIBYWXKVGWOPK-MRXNPFEDSA-N 1 1 331.372 3.249 10 5 EGBEMO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000354085193 457051124 /nfs/dbraw/zinc/05/11/24/457051124.db2.gz HBECPOZNNUYXIB-LBPRGKRZSA-N 1 1 340.221 3.030 10 5 EGBEMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC000342282320 457210796 /nfs/dbraw/zinc/21/07/96/457210796.db2.gz PCJJWNHRFODCMR-VXGBXAGGSA-N 1 1 338.367 3.393 10 5 EGBEMO Cc1ccc([C@H](C)NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000354533859 457274617 /nfs/dbraw/zinc/27/46/17/457274617.db2.gz LKXDKLULHRFXND-GOEBONIOSA-N 1 1 333.432 3.345 10 5 EGBEMO CC1(C)[C@@H](O)CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361078880 457568499 /nfs/dbraw/zinc/56/84/99/457568499.db2.gz JVEXXEAECFVHQI-AWEZNQCLSA-N 1 1 333.413 3.064 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411303121 457854931 /nfs/dbraw/zinc/85/49/31/457854931.db2.gz UPHMYQMNEVNKFZ-OLZOCXBDSA-N 1 1 335.404 3.052 10 5 EGBEMO Cc1ccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1[N+](=O)[O-] ZINC000375406507 457918269 /nfs/dbraw/zinc/91/82/69/457918269.db2.gz UKESIOIKKNEZSQ-CQSZACIVSA-N 1 1 328.372 3.153 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458222892 457976505 /nfs/dbraw/zinc/97/65/05/457976505.db2.gz QWOXNBWBNXPUPW-LBPRGKRZSA-N 1 1 339.823 3.018 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)C[C@H]1C ZINC000412041418 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C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758020 460015138 /nfs/dbraw/zinc/01/51/38/460015138.db2.gz GWIMJIYGDLIVLQ-DOMZBBRYSA-N 1 1 343.383 3.040 10 5 EGBEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758020 460015144 /nfs/dbraw/zinc/01/51/44/460015144.db2.gz GWIMJIYGDLIVLQ-DOMZBBRYSA-N 1 1 343.383 3.040 10 5 EGBEMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758022 460015282 /nfs/dbraw/zinc/01/52/82/460015282.db2.gz GWIMJIYGDLIVLQ-SWLSCSKDSA-N 1 1 343.383 3.040 10 5 EGBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609758022 460015288 /nfs/dbraw/zinc/01/52/88/460015288.db2.gz GWIMJIYGDLIVLQ-SWLSCSKDSA-N 1 1 343.383 3.040 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597859829 460081779 /nfs/dbraw/zinc/08/17/79/460081779.db2.gz YTUGXNYERQAYSA-AWEZNQCLSA-N 1 1 333.432 3.123 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597923183 460114167 /nfs/dbraw/zinc/11/41/67/460114167.db2.gz MLKRAJJYSBUNRF-LBPRGKRZSA-N 1 1 339.823 3.159 10 5 EGBEMO COc1cc(NC[C@H]2CCCC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599140255 460172437 /nfs/dbraw/zinc/17/24/37/460172437.db2.gz AOWGRHZWGVFCCU-LLVKDONJSA-N 1 1 327.812 3.401 10 5 EGBEMO CC[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599156399 460181214 /nfs/dbraw/zinc/18/12/14/460181214.db2.gz BNZCBJXRAGQLCD-PBHICJAKSA-N 1 1 348.447 3.077 10 5 EGBEMO Cc1nc(N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000610755205 460231513 /nfs/dbraw/zinc/23/15/13/460231513.db2.gz PSJPNOJKGWAIPW-HNNXBMFYSA-N 1 1 340.427 3.399 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553078 460274566 /nfs/dbraw/zinc/27/45/66/460274566.db2.gz LXYILYKOHSLBRP-CABCVRRESA-N 1 1 349.456 3.202 10 5 EGBEMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599694252 460313421 /nfs/dbraw/zinc/31/34/21/460313421.db2.gz GGPDLEWQIGFQSL-HNNXBMFYSA-N 1 1 332.404 3.042 10 5 EGBEMO CC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000619434258 460355357 /nfs/dbraw/zinc/35/53/57/460355357.db2.gz RRMZJXZEDXWWQH-QFBILLFUSA-N 1 1 348.443 3.488 10 5 EGBEMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000619434258 460355361 /nfs/dbraw/zinc/35/53/61/460355361.db2.gz RRMZJXZEDXWWQH-QFBILLFUSA-N 1 1 348.443 3.488 10 5 EGBEMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000611515116 460384337 /nfs/dbraw/zinc/38/43/37/460384337.db2.gz AXGVVWLMBJWDLH-UHFFFAOYSA-N 1 1 346.383 3.253 10 5 EGBEMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000611515116 460384342 /nfs/dbraw/zinc/38/43/42/460384342.db2.gz AXGVVWLMBJWDLH-UHFFFAOYSA-N 1 1 346.383 3.253 10 5 EGBEMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000611623339 460417623 /nfs/dbraw/zinc/41/76/23/460417623.db2.gz ZAAQCPSCRFPNCA-FZKQIMNGSA-N 1 1 332.400 3.378 10 5 EGBEMO CCOc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000617219541 460776815 /nfs/dbraw/zinc/77/68/15/460776815.db2.gz OIRCNOSNMBWUOR-GFCCVEGCSA-N 1 1 330.331 3.197 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)ccc1[N+](=O)[O-] ZINC000617219541 460776821 /nfs/dbraw/zinc/77/68/21/460776821.db2.gz OIRCNOSNMBWUOR-GFCCVEGCSA-N 1 1 330.331 3.197 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174191178 534341986 /nfs/dbraw/zinc/34/19/86/534341986.db2.gz CPEAKYNWOSAAJZ-AGUYFDCRSA-N 1 1 332.404 3.040 10 5 EGBEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000183318025 534410202 /nfs/dbraw/zinc/41/02/02/534410202.db2.gz CKKOREQTPLCVLN-AWEZNQCLSA-N 1 1 330.388 3.049 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872282042 1296893800 /nfs/dbraw/zinc/89/38/00/1296893800.db2.gz ZSVQCRJNWYVGIT-ZWKOTPCHSA-N 1 1 334.416 3.052 10 5 EGBEMO C[N@H+]1CCC[C@H]1CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000585113813 1298029187 /nfs/dbraw/zinc/02/91/87/1298029187.db2.gz RTSISVZQFLLMAY-JTQLQIEISA-N 1 1 346.214 3.116 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC ZINC000895582063 1309413060 /nfs/dbraw/zinc/41/30/60/1309413060.db2.gz DXOVZVOJOBZQKQ-NSHDSACASA-N 1 1 349.412 3.058 10 5 EGBEMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nc1 ZINC000858012327 1328657838 /nfs/dbraw/zinc/65/78/38/1328657838.db2.gz ZSJSDFHGXDXDML-INIZCTEOSA-N 1 1 327.384 3.260 10 5 EGBEMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000930125626 1328791236 /nfs/dbraw/zinc/79/12/36/1328791236.db2.gz IYXKEYNAKGEBIO-QMMMGPOBSA-N 1 1 335.148 3.444 10 5 EGBEMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000930125626 1328791237 /nfs/dbraw/zinc/79/12/37/1328791237.db2.gz IYXKEYNAKGEBIO-QMMMGPOBSA-N 1 1 335.148 3.444 10 5 EGBEMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000930788237 1328971240 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3.050 10 5 EGBEMO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000370739496 457710593 /nfs/dbraw/zinc/71/05/93/457710593.db2.gz NKIJXQQEMGSMSA-INIZCTEOSA-N 1 1 345.399 3.299 10 5 EGBEMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000370739496 457710597 /nfs/dbraw/zinc/71/05/97/457710597.db2.gz NKIJXQQEMGSMSA-INIZCTEOSA-N 1 1 345.399 3.299 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000425963550 457748427 /nfs/dbraw/zinc/74/84/27/457748427.db2.gz ALKQOBGHRVZXEZ-MRXNPFEDSA-N 1 1 345.374 3.481 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000425963550 457748434 /nfs/dbraw/zinc/74/84/34/457748434.db2.gz ALKQOBGHRVZXEZ-MRXNPFEDSA-N 1 1 345.374 3.481 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000446048334 458134107 /nfs/dbraw/zinc/13/41/07/458134107.db2.gz TVSMCYDYLVSJPU-UHFFFAOYSA-N 1 1 327.812 3.017 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000439163829 458665547 /nfs/dbraw/zinc/66/55/47/458665547.db2.gz HJPHOFOQECUNSE-YPMHNXCESA-N 1 1 339.823 3.111 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457101458 458866889 /nfs/dbraw/zinc/86/68/89/458866889.db2.gz YDMUMFCKOMSCIU-CYBMUJFWSA-N 1 1 339.823 3.111 10 5 EGBEMO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000482008400 459285551 /nfs/dbraw/zinc/28/55/51/459285551.db2.gz MFRYBHVUSNVVJX-NVXWUHKLSA-N 1 1 340.427 3.355 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](CCF)C3)n2)c1 ZINC000595755549 459426642 /nfs/dbraw/zinc/42/66/42/459426642.db2.gz NUGSEWYXTWKZSK-LBPRGKRZSA-N 1 1 334.351 3.216 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](CCF)C3)n2)c1 ZINC000595755549 459426645 /nfs/dbraw/zinc/42/66/45/459426645.db2.gz NUGSEWYXTWKZSK-LBPRGKRZSA-N 1 1 334.351 3.216 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000595825166 459454120 /nfs/dbraw/zinc/45/41/20/459454120.db2.gz CHYSSMYRTXZDBA-QGZVFWFLSA-N 1 1 341.411 3.314 10 5 EGBEMO CC[C@@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596105377 459523569 /nfs/dbraw/zinc/52/35/69/459523569.db2.gz OXFFMXCKNVQODF-SNVBAGLBSA-N 1 1 343.811 3.177 10 5 EGBEMO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)on1 ZINC000592130736 459530679 /nfs/dbraw/zinc/53/06/79/459530679.db2.gz LKNYWWGYHLVTCK-WKILWMFISA-N 1 1 345.399 3.197 10 5 EGBEMO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)on1 ZINC000592130736 459530683 /nfs/dbraw/zinc/53/06/83/459530683.db2.gz LKNYWWGYHLVTCK-WKILWMFISA-N 1 1 345.399 3.197 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255801 459629341 /nfs/dbraw/zinc/62/93/41/459629341.db2.gz ZLOOTIDIBCOAHD-HOTGVXAUSA-N 1 1 336.432 3.222 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000544610177 459772476 /nfs/dbraw/zinc/77/24/76/459772476.db2.gz ZAODAOUAOXFDRL-IBGZPJMESA-N 1 1 326.396 3.347 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000544610177 459772480 /nfs/dbraw/zinc/77/24/80/459772480.db2.gz ZAODAOUAOXFDRL-IBGZPJMESA-N 1 1 326.396 3.347 10 5 EGBEMO Cn1nc(C(F)(F)F)cc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000597122202 459843545 /nfs/dbraw/zinc/84/35/45/459843545.db2.gz VMWPLWVVLKHRPL-UHFFFAOYSA-N 1 1 342.321 3.022 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000597212636 459879009 /nfs/dbraw/zinc/87/90/09/459879009.db2.gz WEJRKADFEXNGOK-GFCCVEGCSA-N 1 1 326.368 3.184 10 5 EGBEMO Cc1[nH+]ccn1[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000609560856 459982002 /nfs/dbraw/zinc/98/20/02/459982002.db2.gz LRWIOBLBPZNPLH-CQSZACIVSA-N 1 1 337.383 3.489 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610064381 460058022 /nfs/dbraw/zinc/05/80/22/460058022.db2.gz GFANKFXHNVYWJB-GASCZTMLSA-N 1 1 347.459 3.252 10 5 EGBEMO Cc1cn2c([nH+]1)C[C@H](c1nc(-c3cccc([N+](=O)[O-])c3C)no1)CC2 ZINC000599166283 460182841 /nfs/dbraw/zinc/18/28/41/460182841.db2.gz YQKFDUPEDHKMCU-GFCCVEGCSA-N 1 1 339.355 3.188 10 5 EGBEMO CCOC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000600136906 460399768 /nfs/dbraw/zinc/39/97/68/460399768.db2.gz FTIBNJWJISYCOJ-ZDUSSCGKSA-N 1 1 343.383 3.326 10 5 EGBEMO C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600231004 460451699 /nfs/dbraw/zinc/45/16/99/460451699.db2.gz XZSRHVGULRYDLY-KSSFIOAISA-N 1 1 345.443 3.222 10 5 EGBEMO COC(=O)/C=C/c1ccc(NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000729469346 574863550 /nfs/dbraw/zinc/86/35/50/574863550.db2.gz FPNFDTYKHRRRLE-CSKARUKUSA-N 1 1 347.415 3.067 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCC4(C3)CCCCC4)n2)cc1 ZINC000172938266 1294450722 /nfs/dbraw/zinc/45/07/22/1294450722.db2.gz FVXHGOKYCQAWKB-UHFFFAOYSA-N 1 1 341.415 3.467 10 5 EGBEMO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872023714 1296666023 /nfs/dbraw/zinc/66/60/23/1296666023.db2.gz JSFPLYGSCXZWFK-CYBMUJFWSA-N 1 1 345.374 3.123 10 5 EGBEMO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031239 1296680297 /nfs/dbraw/zinc/68/02/97/1296680297.db2.gz NACDGWGBCOPVOJ-ZDUSSCGKSA-N 1 1 337.395 3.177 10 5 EGBEMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063838 1296710179 /nfs/dbraw/zinc/71/01/79/1296710179.db2.gz UBOGCEZVRPIHGV-MNOVXSKESA-N 1 1 341.383 3.298 10 5 EGBEMO CC(C)[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000872092974 1296730691 /nfs/dbraw/zinc/73/06/91/1296730691.db2.gz RZYZKBGOBSSQAF-HJIKLVIJSA-N 1 1 338.301 3.332 10 5 EGBEMO CC(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301277538 1296786267 /nfs/dbraw/zinc/78/62/67/1296786267.db2.gz MLUCLADDJXEQKY-QGZVFWFLSA-N 1 1 340.379 3.451 10 5 EGBEMO CC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301277538 1296786281 /nfs/dbraw/zinc/78/62/81/1296786281.db2.gz MLUCLADDJXEQKY-QGZVFWFLSA-N 1 1 340.379 3.451 10 5 EGBEMO O=c1[nH]c2ccc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2[nH]1 ZINC000893946328 1306139771 /nfs/dbraw/zinc/13/97/71/1306139771.db2.gz WVYRROQMNBYYFM-UHFFFAOYSA-N 1 1 338.367 3.341 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3c4cc(Cl)ccc4ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000894371901 1306364696 /nfs/dbraw/zinc/36/46/96/1306364696.db2.gz KLNXTTYIFQCLPS-NEPJUHHUSA-N 1 1 346.818 3.184 10 5 EGBEMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000860189288 1329170179 /nfs/dbraw/zinc/17/01/79/1329170179.db2.gz RVYWHMRGCSAWPV-ZSBIGDGJSA-N 1 1 340.807 3.410 10 5 EGBEMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000860189288 1329170182 /nfs/dbraw/zinc/17/01/82/1329170182.db2.gz RVYWHMRGCSAWPV-ZSBIGDGJSA-N 1 1 340.807 3.410 10 5 EGBEMO CCCN(C(=O)c1cc([N+](=O)[O-])cc2ccccc21)[C@@H]1CC[N@@H+](C)C1 ZINC000862095895 1329458667 /nfs/dbraw/zinc/45/86/67/1329458667.db2.gz GDTYNSQDCIPPIW-OAHLLOKOSA-N 1 1 341.411 3.304 10 5 EGBEMO Cc1cc(C)c(COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)[nH+]1 ZINC000869370906 1330475369 /nfs/dbraw/zinc/47/53/69/1330475369.db2.gz MZLXDFRTXZXEBY-UHFFFAOYSA-N 1 1 348.330 3.176 10 5 EGBEMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000869896651 1330585377 /nfs/dbraw/zinc/58/53/77/1330585377.db2.gz GFVDSDHJQUNKIM-AWEZNQCLSA-N 1 1 344.342 3.165 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001195307715 1368417778 /nfs/dbraw/zinc/41/77/78/1368417778.db2.gz VUQRFRQAIYUMFW-HIFRSBDPSA-N 1 1 331.416 3.434 10 5 EGBEMO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC001195622818 1368462016 /nfs/dbraw/zinc/46/20/16/1368462016.db2.gz OCXCMSDORZAGKE-UHFFFAOYSA-N 1 1 328.796 3.412 10 5 EGBEMO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC001197582691 1368844390 /nfs/dbraw/zinc/84/43/90/1368844390.db2.gz WPQDATMTQQHAIT-UHFFFAOYSA-N 1 1 343.221 3.358 10 5 EGBEMO COCC1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC001197582691 1368844397 /nfs/dbraw/zinc/84/43/97/1368844397.db2.gz WPQDATMTQQHAIT-UHFFFAOYSA-N 1 1 343.221 3.358 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCCCCNC(=O)CC1 ZINC001207092754 1371291798 /nfs/dbraw/zinc/29/17/98/1371291798.db2.gz HQVGLGKEXLPQRA-SSZFMOIBSA-N 1 1 345.443 3.380 10 5 EGBEMO CC(C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])=C1CCC1 ZINC001327199097 1388438729 /nfs/dbraw/zinc/43/87/29/1388438729.db2.gz FRDOXTYGSUXHPT-UHFFFAOYSA-N 1 1 345.443 3.376 10 5 EGBEMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC001138091852 1377675478 /nfs/dbraw/zinc/67/54/78/1377675478.db2.gz QYXUKKJFNVVQAX-ZDUSSCGKSA-N 1 1 347.440 3.412 10 5 EGBEMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141768702 1378373194 /nfs/dbraw/zinc/37/31/94/1378373194.db2.gz DJKIFHTUYUXDTL-JTQLQIEISA-N 1 1 345.802 3.238 10 5 EGBEMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307161511 1383948416 /nfs/dbraw/zinc/94/84/16/1383948416.db2.gz WWHOQLABENVLLZ-KRWDZBQOSA-N 1 1 343.402 3.487 10 5 EGBEMO CC1(C)CC[N@@H+](CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001307230192 1383962029 /nfs/dbraw/zinc/96/20/29/1383962029.db2.gz QYNSZSGPPMFEJB-UHFFFAOYSA-N 1 1 349.822 3.335 10 5 EGBEMO CC[N@@H+](C)[C@H]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC001307234676 1383962864 /nfs/dbraw/zinc/96/28/64/1383962864.db2.gz HLDBFOVLOBGLBZ-LBPRGKRZSA-N 1 1 334.807 3.327 10 5 EGBEMO CC(C)C[C@@H]1C[N@@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC001308101603 1384092884 /nfs/dbraw/zinc/09/28/84/1384092884.db2.gz YPIQTLJZKWGXNO-OAHLLOKOSA-N 1 1 325.840 3.410 10 5 EGBEMO COc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC001308148161 1384101433 /nfs/dbraw/zinc/10/14/33/1384101433.db2.gz GTXLVLVIRQBANE-SFHVURJKSA-N 1 1 343.383 3.214 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001308159926 1384102700 /nfs/dbraw/zinc/10/27/00/1384102700.db2.gz LTWQHSNMAQISAH-QZTJIDSGSA-N 1 1 334.416 3.397 10 5 EGBEMO Cn1cc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC001170604284 1384348723 /nfs/dbraw/zinc/34/87/23/1384348723.db2.gz IHHDPUZXDVAOHT-IBGZPJMESA-N 1 1 348.406 3.476 10 5 EGBEMO Cn1cc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC001170604284 1384348727 /nfs/dbraw/zinc/34/87/27/1384348727.db2.gz IHHDPUZXDVAOHT-IBGZPJMESA-N 1 1 348.406 3.476 10 5 EGBEMO Cn1cc(C[N@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c([N+](=O)[O-])n1 ZINC001170862128 1384400863 /nfs/dbraw/zinc/40/08/63/1384400863.db2.gz QHZZWDVDAHNMBG-JKSUJKDBSA-N 1 1 344.415 3.006 10 5 EGBEMO Cn1cc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c([N+](=O)[O-])n1 ZINC001170862128 1384400866 /nfs/dbraw/zinc/40/08/66/1384400866.db2.gz QHZZWDVDAHNMBG-JKSUJKDBSA-N 1 1 344.415 3.006 10 5 EGBEMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCC1 ZINC001319970380 1386427305 /nfs/dbraw/zinc/42/73/05/1386427305.db2.gz SGYGXEKPFMXZGO-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCC1 ZINC001319970380 1386427306 /nfs/dbraw/zinc/42/73/06/1386427306.db2.gz SGYGXEKPFMXZGO-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c1 ZINC001329581095 1389166105 /nfs/dbraw/zinc/16/61/05/1389166105.db2.gz CUGRHCIGQGMMJI-UONOGXRCSA-N 1 1 338.429 3.097 10 5 EGBEMO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001332233427 1390058110 /nfs/dbraw/zinc/05/81/10/1390058110.db2.gz XGCPNQAQTLKOPK-QWHCGFSZSA-N 1 1 337.395 3.033 10 5 EGBEMO C[N@H+]1CC[C@@H](CCOC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001345263361 1390852301 /nfs/dbraw/zinc/85/23/01/1390852301.db2.gz AOKGLBVDKKDICT-LBPRGKRZSA-N 1 1 340.807 3.066 10 5 EGBEMO CC(=O)c1ccc(N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC001348455931 1391221880 /nfs/dbraw/zinc/22/18/80/1391221880.db2.gz VMDLZIKQPHGIOX-KDURUIRLSA-N 1 1 343.427 3.110 10 5 EGBEMO Cc1scc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001713455309 1418106813 /nfs/dbraw/zinc/10/68/13/1418106813.db2.gz UNTNFQJQUPFDJU-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO Cc1scc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001713455309 1418106814 /nfs/dbraw/zinc/10/68/14/1418106814.db2.gz UNTNFQJQUPFDJU-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO CC[N@H+](CCNC(=O)c1cc(C)oc1C)Cc1ccccc1[N+](=O)[O-] ZINC001713480961 1418167572 /nfs/dbraw/zinc/16/75/72/1418167572.db2.gz QTCRFGWVRPGPKV-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1cc(C)oc1C)Cc1ccccc1[N+](=O)[O-] ZINC001713480961 1418167578 /nfs/dbraw/zinc/16/75/78/1418167578.db2.gz QTCRFGWVRPGPKV-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCCCC1 ZINC001715529544 1420219363 /nfs/dbraw/zinc/21/93/63/1420219363.db2.gz JQVMKIHHXQPXMY-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCCCC1 ZINC001715529544 1420219364 /nfs/dbraw/zinc/21/93/64/1420219364.db2.gz JQVMKIHHXQPXMY-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CC1(C(=O)NCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC=CC1 ZINC001731880857 1428151026 /nfs/dbraw/zinc/15/10/26/1428151026.db2.gz JWEQEMNFOWVQBA-UHFFFAOYSA-N 1 1 343.427 3.032 10 5 EGBEMO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000178647202 232337751 /nfs/dbraw/zinc/33/77/51/232337751.db2.gz MRLMDVQOXNLGIY-LBPRGKRZSA-N 1 1 346.383 3.471 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181537003 234223336 /nfs/dbraw/zinc/22/33/36/234223336.db2.gz SDRMWWMAAHVPDQ-HUUCEWRRSA-N 1 1 345.443 3.286 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190282449 238354815 /nfs/dbraw/zinc/35/48/15/238354815.db2.gz OKSOYIIGMNTPJB-RDJZCZTQSA-N 1 1 332.425 3.173 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000408171328 169162512 /nfs/dbraw/zinc/16/25/12/169162512.db2.gz HWLDTYRQKULUDV-XHSDSOJGSA-N 1 1 332.448 3.448 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000174464566 533590190 /nfs/dbraw/zinc/59/01/90/533590190.db2.gz PSFRLSGSXDZFKO-MNOVXSKESA-N 1 1 340.811 3.195 10 5 EGBEMO COc1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cc1[N+](=O)[O-] ZINC000184254101 144089912 /nfs/dbraw/zinc/08/99/12/144089912.db2.gz CQVPJDVJTMRWIN-UHFFFAOYSA-N 1 1 330.319 3.241 10 5 EGBEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275404 152054904 /nfs/dbraw/zinc/05/49/04/152054904.db2.gz OLBJUKYAVSHQEA-CYBMUJFWSA-N 1 1 349.822 3.239 10 5 EGBEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275404 152054905 /nfs/dbraw/zinc/05/49/05/152054905.db2.gz OLBJUKYAVSHQEA-CYBMUJFWSA-N 1 1 349.822 3.239 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118836516 152156248 /nfs/dbraw/zinc/15/62/48/152156248.db2.gz NNFXLVYUJKPBCH-HOTGVXAUSA-N 1 1 340.427 3.430 10 5 EGBEMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000118861370 152159234 /nfs/dbraw/zinc/15/92/34/152159234.db2.gz JETAFZUMBXLBLH-ZDUSSCGKSA-N 1 1 335.433 3.208 10 5 EGBEMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000118861370 152159237 /nfs/dbraw/zinc/15/92/37/152159237.db2.gz JETAFZUMBXLBLH-ZDUSSCGKSA-N 1 1 335.433 3.208 10 5 EGBEMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000303586075 154048264 /nfs/dbraw/zinc/04/82/64/154048264.db2.gz QNEUGBYZPMQVSW-MJGOQNOKSA-N 1 1 346.427 3.157 10 5 EGBEMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000336699766 154208971 /nfs/dbraw/zinc/20/89/71/154208971.db2.gz DFZHEUSSURUYSE-ZDUSSCGKSA-N 1 1 332.791 3.330 10 5 EGBEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337455406 154360984 /nfs/dbraw/zinc/36/09/84/154360984.db2.gz HKJGKQAZEDLUCO-QWRGUYRKSA-N 1 1 345.321 3.196 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344075481 164097083 /nfs/dbraw/zinc/09/70/83/164097083.db2.gz UVZYQDRRMDUUMH-AWEZNQCLSA-N 1 1 347.415 3.220 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ncccc1O ZINC000355283289 166153099 /nfs/dbraw/zinc/15/30/99/166153099.db2.gz QWCYKMNJVARGBB-DZGCQCFKSA-N 1 1 327.384 3.196 10 5 EGBEMO CCOc1cc(CN2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000365199668 168034546 /nfs/dbraw/zinc/03/45/46/168034546.db2.gz GWFIIWWTSVDHTQ-UHFFFAOYSA-N 1 1 347.459 3.301 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c2c(c1)COCO2 ZINC000278856784 275281506 /nfs/dbraw/zinc/28/15/06/275281506.db2.gz RVDRQWVYDZEVQE-JTQLQIEISA-N 1 1 346.305 3.236 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c2c(c1)COCO2 ZINC000278856784 275281508 /nfs/dbraw/zinc/28/15/08/275281508.db2.gz RVDRQWVYDZEVQE-JTQLQIEISA-N 1 1 346.305 3.236 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261845075 290251509 /nfs/dbraw/zinc/25/15/09/290251509.db2.gz UWHHBGWLFAQJBM-BJZITVGISA-N 1 1 325.412 3.330 10 5 EGBEMO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000078516532 307419525 /nfs/dbraw/zinc/41/95/25/307419525.db2.gz IGLPNBDKMXQYJE-UHFFFAOYSA-N 1 1 348.406 3.465 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255213201 308043675 /nfs/dbraw/zinc/04/36/75/308043675.db2.gz JIGYPBHBZKIDEQ-DDJMYBDESA-N 1 1 332.400 3.272 10 5 EGBEMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000418142208 309237388 /nfs/dbraw/zinc/23/73/88/309237388.db2.gz MHZDVHDUQYYVHP-INIZCTEOSA-N 1 1 327.384 3.342 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)[C@H](NCCC[NH2+]Cc1cccnc1)CCC2 ZINC000423182018 309389290 /nfs/dbraw/zinc/38/92/90/309389290.db2.gz DPLHXSHPGIHVCV-LJQANCHMSA-N 1 1 340.427 3.137 10 5 EGBEMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1)OCO2 ZINC000444673064 309925200 /nfs/dbraw/zinc/92/52/00/309925200.db2.gz MHWOBWZTJDQFPI-JTQLQIEISA-N 1 1 340.339 3.051 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449429296 310061216 /nfs/dbraw/zinc/06/12/16/310061216.db2.gz ASWXASQMDLAHAF-LZLYRXPVSA-N 1 1 348.443 3.080 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000449429295 310061323 /nfs/dbraw/zinc/06/13/23/310061323.db2.gz ASWXASQMDLAHAF-JZXOWHBKSA-N 1 1 348.443 3.080 10 5 EGBEMO COC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000449775949 310086310 /nfs/dbraw/zinc/08/63/10/310086310.db2.gz NQXOYZRQJSADNZ-GFCCVEGCSA-N 1 1 344.358 3.445 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257048 310168129 /nfs/dbraw/zinc/16/81/29/310168129.db2.gz FWTMDLBQVAOYKV-CCKFTAQKSA-N 1 1 344.386 3.456 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257048 310168130 /nfs/dbraw/zinc/16/81/30/310168130.db2.gz FWTMDLBQVAOYKV-CCKFTAQKSA-N 1 1 344.386 3.456 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264766 310168703 /nfs/dbraw/zinc/16/87/03/310168703.db2.gz NIYNUWYNHCKJMT-DKSSEZFCSA-N 1 1 344.386 3.456 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264766 310168704 /nfs/dbraw/zinc/16/87/04/310168704.db2.gz NIYNUWYNHCKJMT-DKSSEZFCSA-N 1 1 344.386 3.456 10 5 EGBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000505895024 312038531 /nfs/dbraw/zinc/03/85/31/312038531.db2.gz GTQYMBIKNYEKAR-UHFFFAOYSA-N 1 1 349.406 3.142 10 5 EGBEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190450816 455320708 /nfs/dbraw/zinc/32/07/08/455320708.db2.gz GOKRNKYGFJWTMF-HNNXBMFYSA-N 1 1 344.390 3.087 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000029483667 453829362 /nfs/dbraw/zinc/82/93/62/453829362.db2.gz KEQAPRNLCMPMKQ-INIZCTEOSA-N 1 1 343.358 3.292 10 5 EGBEMO C[N@@H+](CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000029483667 453829363 /nfs/dbraw/zinc/82/93/63/453829363.db2.gz KEQAPRNLCMPMKQ-INIZCTEOSA-N 1 1 343.358 3.292 10 5 EGBEMO Cc1[nH+]ccn1-c1ccc(CNc2ccncc2[N+](=O)[O-])cc1F ZINC000066810622 453875628 /nfs/dbraw/zinc/87/56/28/453875628.db2.gz MVPZRWHCGBGMIM-UHFFFAOYSA-N 1 1 327.319 3.235 10 5 EGBEMO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000054321873 453923312 /nfs/dbraw/zinc/92/33/12/453923312.db2.gz UPDFSQFIPIRLSE-AWEZNQCLSA-N 1 1 349.431 3.059 10 5 EGBEMO CN(c1ccncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074775086 454633451 /nfs/dbraw/zinc/63/34/51/454633451.db2.gz VWXVPCKTXCRUSA-INIZCTEOSA-N 1 1 326.400 3.091 10 5 EGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000105853016 454660244 /nfs/dbraw/zinc/66/02/44/454660244.db2.gz DWFONRDSQBVBBG-HNNXBMFYSA-N 1 1 342.399 3.139 10 5 EGBEMO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](C)O ZINC000093143385 454688440 /nfs/dbraw/zinc/68/84/40/454688440.db2.gz SWTLROWUAJKDIU-LBPRGKRZSA-N 1 1 335.429 3.310 10 5 EGBEMO COc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000161924874 454737169 /nfs/dbraw/zinc/73/71/69/454737169.db2.gz CEMPRYVVFQZFBH-IUODEOHRSA-N 1 1 349.406 3.196 10 5 EGBEMO Cn1nccc1C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163521315 454852440 /nfs/dbraw/zinc/85/24/40/454852440.db2.gz GTCTZNAQRDVWPG-UHFFFAOYSA-N 1 1 334.807 3.361 10 5 EGBEMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000164120310 454874730 /nfs/dbraw/zinc/87/47/30/454874730.db2.gz VFKMCJGDYZTCRR-JSGCOSHPSA-N 1 1 349.456 3.016 10 5 EGBEMO Cc1cc(N[C@H]2CC[N@H+](C(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170625613 454944528 /nfs/dbraw/zinc/94/45/28/454944528.db2.gz QZLOCVMEZRESGY-HNNXBMFYSA-N 1 1 341.415 3.255 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000127769840 454995406 /nfs/dbraw/zinc/99/54/06/454995406.db2.gz SWVHADSEQZLSPP-ZDUSSCGKSA-N 1 1 334.420 3.208 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc4cnccc43)C2)nc1 ZINC000183337396 455280319 /nfs/dbraw/zinc/28/03/19/455280319.db2.gz BLYJVKBFWRYICY-INIZCTEOSA-N 1 1 349.394 3.224 10 5 EGBEMO CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000159299624 455367946 /nfs/dbraw/zinc/36/79/46/455367946.db2.gz GQUVDUDSLPAAID-UHFFFAOYSA-N 1 1 335.429 3.385 10 5 EGBEMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182040348 455422031 /nfs/dbraw/zinc/42/20/31/455422031.db2.gz CARHLUVHXSRPRS-LBPRGKRZSA-N 1 1 341.346 3.165 10 5 EGBEMO CC[C@H](NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247008392 455542095 /nfs/dbraw/zinc/54/20/95/455542095.db2.gz HBRVAAFJFMIBPZ-XOKHGSTOSA-N 1 1 348.447 3.074 10 5 EGBEMO COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC000292736083 455743291 /nfs/dbraw/zinc/74/32/91/455743291.db2.gz GURJMRXANNIONO-CABCVRRESA-N 1 1 342.342 3.089 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1OC ZINC000292736083 455743296 /nfs/dbraw/zinc/74/32/96/455743296.db2.gz GURJMRXANNIONO-CABCVRRESA-N 1 1 342.342 3.089 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285527525 455863441 /nfs/dbraw/zinc/86/34/41/455863441.db2.gz HCKJENCYOOKLPU-AWEZNQCLSA-N 1 1 326.400 3.487 10 5 EGBEMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270780220 456037249 /nfs/dbraw/zinc/03/72/49/456037249.db2.gz ONSLUYXHLRXOTP-ZBFHGGJFSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270780220 456037254 /nfs/dbraw/zinc/03/72/54/456037254.db2.gz ONSLUYXHLRXOTP-ZBFHGGJFSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000270800788 456042264 /nfs/dbraw/zinc/04/22/64/456042264.db2.gz UGIUXMTYQHPJRH-HIFRSBDPSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000270800788 456042267 /nfs/dbraw/zinc/04/22/67/456042267.db2.gz UGIUXMTYQHPJRH-HIFRSBDPSA-N 1 1 334.326 3.125 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+](C)C2CCCCC2)c1 ZINC000301935252 456254961 /nfs/dbraw/zinc/25/49/61/456254961.db2.gz SULLCZXWKIRWSH-UHFFFAOYSA-N 1 1 325.384 3.419 10 5 EGBEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275404381 456273987 /nfs/dbraw/zinc/27/39/87/456273987.db2.gz BNCOXJJIAOJYQO-CQSZACIVSA-N 1 1 349.434 3.165 10 5 EGBEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000337309370 456344736 /nfs/dbraw/zinc/34/47/36/456344736.db2.gz ZELMMOOYQIXXDR-RGFKIIKPSA-N 1 1 336.407 3.495 10 5 EGBEMO Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282237597 456451318 /nfs/dbraw/zinc/45/13/18/456451318.db2.gz LQKHNSABECAKJK-ZDUSSCGKSA-N 1 1 341.415 3.094 10 5 EGBEMO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000310279216 456582031 /nfs/dbraw/zinc/58/20/31/456582031.db2.gz VRPUSMITKVTBDC-QLFBSQMISA-N 1 1 344.440 3.374 10 5 EGBEMO CO[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000338289894 456748224 /nfs/dbraw/zinc/74/82/24/456748224.db2.gz IHLWWOPBGDSQBB-QGZVFWFLSA-N 1 1 347.802 3.389 10 5 EGBEMO CO[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000338289894 456748229 /nfs/dbraw/zinc/74/82/29/456748229.db2.gz IHLWWOPBGDSQBB-QGZVFWFLSA-N 1 1 347.802 3.389 10 5 EGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353559493 456759682 /nfs/dbraw/zinc/75/96/82/456759682.db2.gz FRHIQRMVZUSVPK-CQSZACIVSA-N 1 1 331.441 3.363 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000353610007 456802198 /nfs/dbraw/zinc/80/21/98/456802198.db2.gz VKPUIFDFRPNBSG-JKSUJKDBSA-N 1 1 326.400 3.340 10 5 EGBEMO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000342308912 457228003 /nfs/dbraw/zinc/22/80/03/457228003.db2.gz USPKLKBGRNBTBV-GFCCVEGCSA-N 1 1 341.367 3.087 10 5 EGBEMO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000401189493 457526421 /nfs/dbraw/zinc/52/64/21/457526421.db2.gz QAERMQNYGLQPMJ-CQSZACIVSA-N 1 1 330.363 3.063 10 5 EGBEMO C[N@@H+](CCc1ccc(F)cc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361275970 457676374 /nfs/dbraw/zinc/67/63/74/457676374.db2.gz ZNGGOAVFVHIXRT-UHFFFAOYSA-N 1 1 328.347 3.285 10 5 EGBEMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCCO1 ZINC000444662891 457931097 /nfs/dbraw/zinc/93/10/97/457931097.db2.gz XCICUBMZXXIWDU-AWEZNQCLSA-N 1 1 332.404 3.252 10 5 EGBEMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000371744657 458057595 /nfs/dbraw/zinc/05/75/95/458057595.db2.gz ATOJSXYAVMDPPF-PKOBYXMFSA-N 1 1 326.396 3.426 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000375870680 458104024 /nfs/dbraw/zinc/10/40/24/458104024.db2.gz KLYCLZXBFCUBHY-HNNXBMFYSA-N 1 1 327.384 3.063 10 5 EGBEMO COCC[C@H]1CCCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000376374273 458281963 /nfs/dbraw/zinc/28/19/63/458281963.db2.gz CTRLUKDIHONJLE-CYBMUJFWSA-N 1 1 340.395 3.381 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000424294501 458606922 /nfs/dbraw/zinc/60/69/22/458606922.db2.gz OYFLQURDCBFUMJ-SZMVWBNQSA-N 1 1 340.427 3.444 10 5 EGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000462763922 458652245 /nfs/dbraw/zinc/65/22/45/458652245.db2.gz MUUUZEYNVZFRTR-WBVHZDCISA-N 1 1 347.459 3.154 10 5 EGBEMO CCc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000471897039 458748314 /nfs/dbraw/zinc/74/83/14/458748314.db2.gz QMKGWALLVOYGCU-UHFFFAOYSA-N 1 1 333.432 3.152 10 5 EGBEMO COc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000547769118 458789690 /nfs/dbraw/zinc/78/96/90/458789690.db2.gz VPVNKJXVAGHJEL-AOOOYVTPSA-N 1 1 330.331 3.230 10 5 EGBEMO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000547769118 458789695 /nfs/dbraw/zinc/78/96/95/458789695.db2.gz VPVNKJXVAGHJEL-AOOOYVTPSA-N 1 1 330.331 3.230 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000495261507 458822728 /nfs/dbraw/zinc/82/27/28/458822728.db2.gz YMHYBPQNLCFZNV-KBXCAEBGSA-N 1 1 336.432 3.365 10 5 EGBEMO CCOC(=O)c1cc(NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000467745886 458984713 /nfs/dbraw/zinc/98/47/13/458984713.db2.gz GVYJZUHWWUQTTQ-CYBMUJFWSA-N 1 1 335.404 3.058 10 5 EGBEMO C[N@@H+](CCCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000442962640 459065964 /nfs/dbraw/zinc/06/59/64/459065964.db2.gz CZFZMZJDABWAHD-UHFFFAOYSA-N 1 1 334.347 3.340 10 5 EGBEMO Cc1[nH+]cn(CCCCc2noc(-c3ccccc3[N+](=O)[O-])n2)c1C ZINC000594534849 459082226 /nfs/dbraw/zinc/08/22/26/459082226.db2.gz QEHBPVAPGWJCNT-UHFFFAOYSA-N 1 1 341.371 3.481 10 5 EGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590599981 459157763 /nfs/dbraw/zinc/15/77/63/459157763.db2.gz IGPKMPWTEBVXCN-OAHLLOKOSA-N 1 1 327.384 3.248 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cscn1 ZINC000595666792 459389368 /nfs/dbraw/zinc/38/93/68/459389368.db2.gz CQTQPNUSSYEZBE-LLVKDONJSA-N 1 1 334.401 3.039 10 5 EGBEMO CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485394951 459452651 /nfs/dbraw/zinc/45/26/51/459452651.db2.gz YZJQLGWCRMXOGK-OAHLLOKOSA-N 1 1 344.390 3.112 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902410 459481720 /nfs/dbraw/zinc/48/17/20/459481720.db2.gz JHDQRPOTDLSLPM-CYBMUJFWSA-N 1 1 339.395 3.121 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902410 459481725 /nfs/dbraw/zinc/48/17/25/459481725.db2.gz JHDQRPOTDLSLPM-CYBMUJFWSA-N 1 1 339.395 3.121 10 5 EGBEMO CO[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000592132723 459532148 /nfs/dbraw/zinc/53/21/48/459532148.db2.gz NDMNSCVKSPUBLD-ZHALLVOQSA-N 1 1 348.443 3.125 10 5 EGBEMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592446640 459601317 /nfs/dbraw/zinc/60/13/17/459601317.db2.gz KYYXLKHYBYEPIV-AEFFLSMTSA-N 1 1 346.427 3.011 10 5 EGBEMO Cc1c(-c2noc(Cn3c[nH+]c4c3CCCC4)n2)cccc1[N+](=O)[O-] ZINC000562785599 459647733 /nfs/dbraw/zinc/64/77/33/459647733.db2.gz SUEHGQCPXWNJMK-UHFFFAOYSA-N 1 1 339.355 3.077 10 5 EGBEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592773187 459688378 /nfs/dbraw/zinc/68/83/78/459688378.db2.gz YCSLYVXOSWJQSH-ZDUSSCGKSA-N 1 1 344.415 3.356 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2ccc(C)nc2)c1 ZINC000593023839 459743710 /nfs/dbraw/zinc/74/37/10/459743710.db2.gz CKPRTOITNQJKAS-UHFFFAOYSA-N 1 1 343.383 3.110 10 5 EGBEMO CC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1c(C)noc1C ZINC000593022149 459743859 /nfs/dbraw/zinc/74/38/59/459743859.db2.gz CAJFGRQONJBKRQ-AWEZNQCLSA-N 1 1 347.371 3.227 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)co2)cc1 ZINC000593119193 459779061 /nfs/dbraw/zinc/77/90/61/459779061.db2.gz VPNUFFPQJQJUIA-OAHLLOKOSA-N 1 1 335.310 3.481 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)co2)cc1 ZINC000593119193 459779065 /nfs/dbraw/zinc/77/90/65/459779065.db2.gz VPNUFFPQJQJUIA-OAHLLOKOSA-N 1 1 335.310 3.481 10 5 EGBEMO COc1cc(NCC[N@@H+](C)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000574493520 459824725 /nfs/dbraw/zinc/82/47/25/459824725.db2.gz SRDGOQHOIVTFBV-UHFFFAOYSA-N 1 1 325.384 3.419 10 5 EGBEMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000597211789 459878778 /nfs/dbraw/zinc/87/87/78/459878778.db2.gz OVZNYAPBSHZHLQ-RDTXWAMCSA-N 1 1 328.368 3.323 10 5 EGBEMO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000618541017 460050815 /nfs/dbraw/zinc/05/08/15/460050815.db2.gz CRPGGYHDVJHKTO-OAHLLOKOSA-N 1 1 329.356 3.017 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC000594054701 460077297 /nfs/dbraw/zinc/07/72/97/460077297.db2.gz VUANKOZDOMNDCO-INIZCTEOSA-N 1 1 331.416 3.238 10 5 EGBEMO Cc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(C)c1O ZINC000576234856 460097989 /nfs/dbraw/zinc/09/79/89/460097989.db2.gz WVQFYJZHDZYUTR-UHFFFAOYSA-N 1 1 341.411 3.239 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599073108 460151901 /nfs/dbraw/zinc/15/19/01/460151901.db2.gz DUVBJVLFWUVXDZ-CJNGLKHVSA-N 1 1 333.432 3.271 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599073108 460151906 /nfs/dbraw/zinc/15/19/06/460151906.db2.gz DUVBJVLFWUVXDZ-CJNGLKHVSA-N 1 1 333.432 3.271 10 5 EGBEMO CC[C@@H](NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610529762 460177450 /nfs/dbraw/zinc/17/74/50/460177450.db2.gz OGEKMNYHMRQVMX-RHSMWYFYSA-N 1 1 348.447 3.075 10 5 EGBEMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(C(F)(F)F)c1 ZINC000599166536 460184258 /nfs/dbraw/zinc/18/42/58/460184258.db2.gz XMFWTTDGUOONCI-NSHDSACASA-N 1 1 344.337 3.437 10 5 EGBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179452 460302178 /nfs/dbraw/zinc/30/21/78/460302178.db2.gz CORXUFZLPKQOBT-MWLCHTKSSA-N 1 1 338.314 3.293 10 5 EGBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179452 460302182 /nfs/dbraw/zinc/30/21/82/460302182.db2.gz CORXUFZLPKQOBT-MWLCHTKSSA-N 1 1 338.314 3.293 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690680 460312687 /nfs/dbraw/zinc/31/26/87/460312687.db2.gz PBRALZUXAWCZGA-RDFMZFSFSA-N 1 1 347.415 3.220 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690680 460312689 /nfs/dbraw/zinc/31/26/89/460312689.db2.gz PBRALZUXAWCZGA-RDFMZFSFSA-N 1 1 347.415 3.220 10 5 EGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000599693470 460313270 /nfs/dbraw/zinc/31/32/70/460313270.db2.gz ATVZQBYCBMTLQS-INIZCTEOSA-N 1 1 332.404 3.123 10 5 EGBEMO CCC[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000611415388 460360101 /nfs/dbraw/zinc/36/01/01/460360101.db2.gz XCNORWIWRINQBM-QGZVFWFLSA-N 1 1 340.427 3.481 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000611517017 460384968 /nfs/dbraw/zinc/38/49/68/460384968.db2.gz BLYMBWHUJJFSJJ-GOEBONIOSA-N 1 1 334.416 3.242 10 5 EGBEMO CCc1[nH+]ccn1[C@H]1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616263 460415216 /nfs/dbraw/zinc/41/52/16/460415216.db2.gz DKTDGFRFILMUBC-AWEZNQCLSA-N 1 1 329.404 3.207 10 5 EGBEMO CC[N@H+]1CCCC[C@H]1CNc1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000732050384 575234069 /nfs/dbraw/zinc/23/40/69/575234069.db2.gz OKFGRTALHDENHC-WWRUEGTHSA-N 1 1 347.415 3.067 10 5 EGBEMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000743718267 576815243 /nfs/dbraw/zinc/81/52/43/576815243.db2.gz MYVBIFHCGLIOFB-GFCCVEGCSA-N 1 1 339.823 3.195 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC000872235843 1296835745 /nfs/dbraw/zinc/83/57/45/1296835745.db2.gz KXHHCNNMCFJARO-RTBURBONSA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC000872235843 1296835763 /nfs/dbraw/zinc/83/57/63/1296835763.db2.gz 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3.240 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC001187593982 1388128830 /nfs/dbraw/zinc/12/88/30/1388128830.db2.gz RYWVMSSREKXJIX-KBPBESRZSA-N 1 1 327.837 3.240 10 5 EGBEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001119839466 1371412292 /nfs/dbraw/zinc/41/22/92/1371412292.db2.gz ZHNJYMVGOIRNDY-JGPRNRPPSA-N 1 1 343.221 3.091 10 5 EGBEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001119839466 1371412293 /nfs/dbraw/zinc/41/22/93/1371412293.db2.gz ZHNJYMVGOIRNDY-JGPRNRPPSA-N 1 1 343.221 3.091 10 5 EGBEMO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001137115054 1377481183 /nfs/dbraw/zinc/48/11/83/1377481183.db2.gz XMPMVMSMPWXRHD-SFHVURJKSA-N 1 1 347.459 3.154 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCCC1 ZINC001280782755 1378373886 /nfs/dbraw/zinc/37/38/86/1378373886.db2.gz YVNFZDTYGUYCSM-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001294219752 1382428480 /nfs/dbraw/zinc/42/84/80/1382428480.db2.gz NYZVDTDZJGKFJH-AEFFLSMTSA-N 1 1 345.443 3.051 10 5 EGBEMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001294219755 1382428551 /nfs/dbraw/zinc/42/85/51/1382428551.db2.gz NYZVDTDZJGKFJH-WMZOPIPTSA-N 1 1 345.443 3.051 10 5 EGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)CC1CCC1 ZINC001167157620 1383554035 /nfs/dbraw/zinc/55/40/35/1383554035.db2.gz LYSWGGBYSTUJDR-UHFFFAOYSA-N 1 1 328.416 3.402 10 5 EGBEMO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001307142770 1383944848 /nfs/dbraw/zinc/94/48/48/1383944848.db2.gz WYZSFSCSPGZODB-AWEZNQCLSA-N 1 1 329.375 3.445 10 5 EGBEMO C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001307142770 1383944852 /nfs/dbraw/zinc/94/48/52/1383944852.db2.gz WYZSFSCSPGZODB-AWEZNQCLSA-N 1 1 329.375 3.445 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC001307950892 1384062229 /nfs/dbraw/zinc/06/22/29/1384062229.db2.gz AADFCKUAALLFFC-SJORKVTESA-N 1 1 348.443 3.379 10 5 EGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001308121935 1384096398 /nfs/dbraw/zinc/09/63/98/1384096398.db2.gz RKZFVQKNQDKDAG-MRXNPFEDSA-N 1 1 328.416 3.368 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001171811168 1384645498 /nfs/dbraw/zinc/64/54/98/1384645498.db2.gz VRTCHBMUYBOLQW-ZACQAIPSSA-N 1 1 346.427 3.457 10 5 EGBEMO CC/C=C(\C)C(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317549453 1385304840 /nfs/dbraw/zinc/30/48/40/1385304840.db2.gz VCMKRQIQESGTMB-LNKIKWGQSA-N 1 1 331.416 3.032 10 5 EGBEMO C[C@@H](C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC001175982167 1385451725 /nfs/dbraw/zinc/45/17/25/1385451725.db2.gz BHKGCLQEQIKSOG-ZDUSSCGKSA-N 1 1 333.432 3.098 10 5 EGBEMO CC(C)CNC(=O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001319914677 1386386904 /nfs/dbraw/zinc/38/69/04/1386386904.db2.gz ZJMNZDZVDPNLLF-LJQANCHMSA-N 1 1 341.411 3.046 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001331472208 1389762777 /nfs/dbraw/zinc/76/27/77/1389762777.db2.gz MFWIPKLIYQTOJM-IBGZPJMESA-N 1 1 342.395 3.087 10 5 EGBEMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc4ccccc4c4cccnc34)[C@H]2C1 ZINC001350915941 1391557865 /nfs/dbraw/zinc/55/78/65/1391557865.db2.gz OBBMOIPXVXOBDZ-YSSFQJQWSA-N 1 1 345.446 3.458 10 5 EGBEMO CC[N@H+](CCCNC(=O)c1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001689915574 1404206947 /nfs/dbraw/zinc/20/69/47/1404206947.db2.gz GSHQKXOPVXXDAU-UHFFFAOYSA-N 1 1 347.440 3.298 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001689915574 1404206950 /nfs/dbraw/zinc/20/69/50/1404206950.db2.gz GSHQKXOPVXXDAU-UHFFFAOYSA-N 1 1 347.440 3.298 10 5 EGBEMO CCC[N@H+](CCNC(=O)c1cocc1C)Cc1ccccc1[N+](=O)[O-] ZINC001691189276 1405128013 /nfs/dbraw/zinc/12/80/13/1405128013.db2.gz VEIRPGDYVKRMQG-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1cocc1C)Cc1ccccc1[N+](=O)[O-] ZINC001691189276 1405128019 /nfs/dbraw/zinc/12/80/19/1405128019.db2.gz VEIRPGDYVKRMQG-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CCC[N@@H+](CCNC(=O)CC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713545683 1418314473 /nfs/dbraw/zinc/31/44/73/1418314473.db2.gz JRWSADUAOOFSHR-UHFFFAOYSA-N 1 1 335.448 3.359 10 5 EGBEMO CC(C)N(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccco1 ZINC001717946376 1421711216 /nfs/dbraw/zinc/71/12/16/1421711216.db2.gz XBQKBLAKPZWNBY-UHFFFAOYSA-N 1 1 345.399 3.170 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccco1 ZINC001717946376 1421711218 /nfs/dbraw/zinc/71/12/18/1421711218.db2.gz XBQKBLAKPZWNBY-UHFFFAOYSA-N 1 1 345.399 3.170 10 5 EGBEMO CC1=C(c2ccco2)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368481105 168362054 /nfs/dbraw/zinc/36/20/54/168362054.db2.gz DSKLJCNBJAJDLG-QGZVFWFLSA-N 1 1 328.368 3.401 10 5 EGBEMO CNC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000361643952 283331986 /nfs/dbraw/zinc/33/19/86/283331986.db2.gz OEDMETPJEBYDQC-OAHLLOKOSA-N 1 1 347.802 3.215 10 5 EGBEMO CSc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000080716142 217327163 /nfs/dbraw/zinc/32/71/63/217327163.db2.gz QKDRZAOPCAVWJM-YHWZYXNKSA-N 1 1 349.456 3.062 10 5 EGBEMO C[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1C ZINC000093645064 218238671 /nfs/dbraw/zinc/23/86/71/218238671.db2.gz KIJXKTNRIOVRMC-WCQYABFASA-N 1 1 343.374 3.111 10 5 EGBEMO Cc1sc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000153923201 224176849 /nfs/dbraw/zinc/17/68/49/224176849.db2.gz FZXYLALGSJTKTJ-TZMCWYRMSA-N 1 1 349.456 3.054 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187816550 144165069 /nfs/dbraw/zinc/16/50/69/144165069.db2.gz MLTVBBMABHNNFF-HNNXBMFYSA-N 1 1 333.432 3.275 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188164091 144169801 /nfs/dbraw/zinc/16/98/01/144169801.db2.gz DBVJXEYZADCVPP-VMGRFDJRSA-N 1 1 332.425 3.425 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000116278497 152055851 /nfs/dbraw/zinc/05/58/51/152055851.db2.gz YDORFTQLZXAUOV-UHFFFAOYSA-N 1 1 334.807 3.357 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120167226 152256720 /nfs/dbraw/zinc/25/67/20/152256720.db2.gz URUMJDPJMXVAFN-ZFWWWQNUSA-N 1 1 334.420 3.062 10 5 EGBEMO COc1cc(C[NH2+][C@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])cc1O ZINC000188953630 153041329 /nfs/dbraw/zinc/04/13/29/153041329.db2.gz KHGVLTFAAQVJFB-AWEZNQCLSA-N 1 1 344.367 3.231 10 5 EGBEMO CCc1n[nH]c(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190661518 153154364 /nfs/dbraw/zinc/15/43/64/153154364.db2.gz PLCKLRBWNOCLJM-GFCCVEGCSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190661518 153154366 /nfs/dbraw/zinc/15/43/66/153154366.db2.gz PLCKLRBWNOCLJM-GFCCVEGCSA-N 1 1 329.404 3.216 10 5 EGBEMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000343767673 164030030 /nfs/dbraw/zinc/03/00/30/164030030.db2.gz OMIIUNDNDWDCFX-QGZVFWFLSA-N 1 1 341.367 3.420 10 5 EGBEMO C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000343767673 164030032 /nfs/dbraw/zinc/03/00/32/164030032.db2.gz OMIIUNDNDWDCFX-QGZVFWFLSA-N 1 1 341.367 3.420 10 5 EGBEMO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CC=CCC1 ZINC000344030557 164086091 /nfs/dbraw/zinc/08/60/91/164086091.db2.gz BVTJKHUIEOEFFJ-ZDUSSCGKSA-N 1 1 328.372 3.433 10 5 EGBEMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561194 167194142 /nfs/dbraw/zinc/19/41/42/167194142.db2.gz QVANPTBQJIEHDI-UGSOOPFHSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])c1 ZINC000359561194 167194145 /nfs/dbraw/zinc/19/41/45/167194145.db2.gz QVANPTBQJIEHDI-UGSOOPFHSA-N 1 1 347.415 3.054 10 5 EGBEMO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673550 266340044 /nfs/dbraw/zinc/34/00/44/266340044.db2.gz VRUZHCRWXLRNFW-OAHLLOKOSA-N 1 1 347.440 3.096 10 5 EGBEMO C[N@H+](Cc1nc2c(s1)CCCC2)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673550 266340049 /nfs/dbraw/zinc/34/00/49/266340049.db2.gz VRUZHCRWXLRNFW-OAHLLOKOSA-N 1 1 347.440 3.096 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278410778 268007018 /nfs/dbraw/zinc/00/70/18/268007018.db2.gz QAUOXNJJRGTNNA-SECBINFHSA-N 1 1 333.266 3.277 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278410778 268007020 /nfs/dbraw/zinc/00/70/20/268007020.db2.gz QAUOXNJJRGTNNA-SECBINFHSA-N 1 1 333.266 3.277 10 5 EGBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278816455 275277501 /nfs/dbraw/zinc/27/75/01/275277501.db2.gz PKWBTOGTHKLZLR-MNOVXSKESA-N 1 1 345.321 3.196 10 5 EGBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278816455 275277502 /nfs/dbraw/zinc/27/75/02/275277502.db2.gz PKWBTOGTHKLZLR-MNOVXSKESA-N 1 1 345.321 3.196 10 5 EGBEMO Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ncc1[N+](=O)[O-] ZINC000281917814 275588465 /nfs/dbraw/zinc/58/84/65/275588465.db2.gz NVQYUIZEWWXCBQ-CQSZACIVSA-N 1 1 341.415 3.215 10 5 EGBEMO Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295997221 308383039 /nfs/dbraw/zinc/38/30/39/308383039.db2.gz XKZCIHJCUNCVGN-NWDGAFQWSA-N 1 1 339.823 3.111 10 5 EGBEMO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000418135353 309237068 /nfs/dbraw/zinc/23/70/68/309237068.db2.gz AMTATCJNKFEQGJ-AWEZNQCLSA-N 1 1 333.413 3.403 10 5 EGBEMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000418135353 309237069 /nfs/dbraw/zinc/23/70/69/309237069.db2.gz AMTATCJNKFEQGJ-AWEZNQCLSA-N 1 1 333.413 3.403 10 5 EGBEMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000418140891 309237431 /nfs/dbraw/zinc/23/74/31/309237431.db2.gz KGRXEUFMCQDLID-KRWDZBQOSA-N 1 1 327.384 3.342 10 5 EGBEMO Cc1ccc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000449761399 310085281 /nfs/dbraw/zinc/08/52/81/310085281.db2.gz XDFOZJXCPLUSDW-UHFFFAOYSA-N 1 1 345.365 3.362 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450927490 310150266 /nfs/dbraw/zinc/15/02/66/310150266.db2.gz CGWOIGPWDPIUJA-UHFFFAOYSA-N 1 1 345.374 3.459 10 5 EGBEMO COc1cc(C[NH+]2CCC(F)(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000450933180 310150611 /nfs/dbraw/zinc/15/06/11/310150611.db2.gz UDZMHFDOSCWMIL-UHFFFAOYSA-N 1 1 345.374 3.459 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000451352327 310173719 /nfs/dbraw/zinc/17/37/19/310173719.db2.gz KQZKXTVATXFJFR-JLZZUVOBSA-N 1 1 340.370 3.389 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000451352327 310173720 /nfs/dbraw/zinc/17/37/20/310173720.db2.gz KQZKXTVATXFJFR-JLZZUVOBSA-N 1 1 340.370 3.389 10 5 EGBEMO Cc1cc(Nc2ccncc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@@H]1C ZINC000503281284 311984285 /nfs/dbraw/zinc/98/42/85/311984285.db2.gz OTKHMWXXTVZWFU-ZDUSSCGKSA-N 1 1 327.388 3.238 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000511626717 312164909 /nfs/dbraw/zinc/16/49/09/312164909.db2.gz IRDXMDQVBLZGFR-OKILXGFUSA-N 1 1 347.459 3.390 10 5 EGBEMO CCC[N@@H+](C)C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000570838379 317115359 /nfs/dbraw/zinc/11/53/59/317115359.db2.gz SAITVCLPTOVGSW-CQSZACIVSA-N 1 1 332.448 3.037 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2CCc2ccccc2)c1 ZINC000090010420 454262123 /nfs/dbraw/zinc/26/21/23/454262123.db2.gz OAJFYDFGQNKTJT-KRWDZBQOSA-N 1 1 328.416 3.279 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2csc([C@H]3C[N@H+]4CCC[C@H]4CO3)n2)c(F)c1 ZINC000600885926 460631082 /nfs/dbraw/zinc/63/10/82/460631082.db2.gz ZQOBDMVURQAFAE-XHDPSFHLSA-N 1 1 349.387 3.393 10 5 EGBEMO CC[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090560949 454322670 /nfs/dbraw/zinc/32/26/70/454322670.db2.gz KKCAJOIONHIRNI-KRWDZBQOSA-N 1 1 348.447 3.220 10 5 EGBEMO Cc1sc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000064381654 454477517 /nfs/dbraw/zinc/47/75/17/454477517.db2.gz KCBFBVBVSPTGEM-UHFFFAOYSA-N 1 1 339.461 3.157 10 5 EGBEMO Cc1csc([C@@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137015966 454764799 /nfs/dbraw/zinc/76/47/99/454764799.db2.gz HHDTTZJHYVIXJN-ZBFHGGJFSA-N 1 1 347.440 3.273 10 5 EGBEMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000124744702 454766717 /nfs/dbraw/zinc/76/67/17/454766717.db2.gz GGLBTSXJKXJWNW-UKRRQHHQSA-N 1 1 347.459 3.447 10 5 EGBEMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179467496 455050132 /nfs/dbraw/zinc/05/01/32/455050132.db2.gz UJXHRFVJCGHSQX-OAHLLOKOSA-N 1 1 329.404 3.147 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179467496 455050134 /nfs/dbraw/zinc/05/01/34/455050134.db2.gz UJXHRFVJCGHSQX-OAHLLOKOSA-N 1 1 329.404 3.147 10 5 EGBEMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000172879974 455202227 /nfs/dbraw/zinc/20/22/27/455202227.db2.gz OALGHQWHXZNGJU-NWDGAFQWSA-N 1 1 347.371 3.183 10 5 EGBEMO COc1ccc(OCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000173452546 455285734 /nfs/dbraw/zinc/28/57/34/455285734.db2.gz DVUDUKHPLIOWNO-NSHDSACASA-N 1 1 348.321 3.257 10 5 EGBEMO COc1ccc(OCC[N@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000173452546 455285738 /nfs/dbraw/zinc/28/57/38/455285738.db2.gz DVUDUKHPLIOWNO-NSHDSACASA-N 1 1 348.321 3.257 10 5 EGBEMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000612582021 460668644 /nfs/dbraw/zinc/66/86/44/460668644.db2.gz LDVCCRAILWRMHB-HNNXBMFYSA-N 1 1 334.416 3.314 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182085247 455431414 /nfs/dbraw/zinc/43/14/14/455431414.db2.gz HVRNPKDQDLLRRB-OAHLLOKOSA-N 1 1 341.411 3.154 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000247275476 455582095 /nfs/dbraw/zinc/58/20/95/455582095.db2.gz FRMINEZHGVXYSO-NHYWBVRUSA-N 1 1 339.823 3.051 10 5 EGBEMO COc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284104700 455636836 /nfs/dbraw/zinc/63/68/36/455636836.db2.gz MSQXYJGMJPISPH-NSHDSACASA-N 1 1 331.328 3.362 10 5 EGBEMO COc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000301631709 456168887 /nfs/dbraw/zinc/16/88/87/456168887.db2.gz JHXJWAPIBQTVFQ-LBPRGKRZSA-N 1 1 325.384 3.053 10 5 EGBEMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908887 456247991 /nfs/dbraw/zinc/24/79/91/456247991.db2.gz RMWRYWPZRQBMMD-PBHICJAKSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908887 456247993 /nfs/dbraw/zinc/24/79/93/456247993.db2.gz RMWRYWPZRQBMMD-PBHICJAKSA-N 1 1 348.353 3.434 10 5 EGBEMO C[N@@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCCC1 ZINC000342890517 456296671 /nfs/dbraw/zinc/29/66/71/456296671.db2.gz XEMUQUPKWCBXEA-UHFFFAOYSA-N 1 1 344.415 3.070 10 5 EGBEMO C[C@@]1(CNc2ccc([N+](=O)[O-])cn2)CCC[N@H+]1Cc1ccccc1 ZINC000302377785 456337800 /nfs/dbraw/zinc/33/78/00/456337800.db2.gz GBBPSMWQWPJTFC-SFHVURJKSA-N 1 1 326.400 3.456 10 5 EGBEMO COCC[C@@H](c1ccccc1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347785716 456366489 /nfs/dbraw/zinc/36/64/89/456366489.db2.gz NYBISTQYFLFESM-SFHVURJKSA-N 1 1 327.384 3.126 10 5 EGBEMO COCC[C@@H](c1ccccc1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347785716 456366496 /nfs/dbraw/zinc/36/64/96/456366496.db2.gz NYBISTQYFLFESM-SFHVURJKSA-N 1 1 327.384 3.126 10 5 EGBEMO O=C1[C@@H]([N@H+]2CCC3(C2)CCCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000303956481 456497270 /nfs/dbraw/zinc/49/72/70/456497270.db2.gz XMRMEMPVIAFUBB-KRWDZBQOSA-N 1 1 343.427 3.356 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353220589 456569255 /nfs/dbraw/zinc/56/92/55/456569255.db2.gz NYLUVPKRLSXYGH-UHFFFAOYSA-N 1 1 326.356 3.160 10 5 EGBEMO COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000326741599 456699572 /nfs/dbraw/zinc/69/95/72/456699572.db2.gz VANWISBXCQXEFP-UXLLHSPISA-N 1 1 334.416 3.119 10 5 EGBEMO CSCCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353527314 456736796 /nfs/dbraw/zinc/73/67/96/456736796.db2.gz KSNAFCYBXUKELT-OAHLLOKOSA-N 1 1 334.445 3.151 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-c2cc[nH]n2)o1 ZINC000348633440 456789067 /nfs/dbraw/zinc/78/90/67/456789067.db2.gz JYIJCXLFLFOZPA-UHFFFAOYSA-N 1 1 326.356 3.252 10 5 EGBEMO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000353615122 456805234 /nfs/dbraw/zinc/80/52/34/456805234.db2.gz YAMOPHYVZGVDPQ-QWHCGFSZSA-N 1 1 348.403 3.186 10 5 EGBEMO COc1cc(C[N@@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000352669739 457515450 /nfs/dbraw/zinc/51/54/50/457515450.db2.gz BESKMASWIQCOCS-UHFFFAOYSA-N 1 1 342.395 3.211 10 5 EGBEMO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000374839429 457717935 /nfs/dbraw/zinc/71/79/35/457717935.db2.gz VYZBUTBNEUEHKN-UHFFFAOYSA-N 1 1 337.379 3.254 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](CO)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000425980072 457752115 /nfs/dbraw/zinc/75/21/15/457752115.db2.gz MPICDXNKLNQGCI-OLZOCXBDSA-N 1 1 346.383 3.066 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411303125 457855124 /nfs/dbraw/zinc/85/51/24/457855124.db2.gz UPHMYQMNEVNKFZ-STQMWFEESA-N 1 1 335.404 3.052 10 5 EGBEMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000426765659 457896187 /nfs/dbraw/zinc/89/61/87/457896187.db2.gz QYXZFCOXXLIUPA-TXEJJXNPSA-N 1 1 337.807 3.309 10 5 EGBEMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651715 457927051 /nfs/dbraw/zinc/92/70/51/457927051.db2.gz RSRFNYCAMPMAOL-LBPRGKRZSA-N 1 1 340.383 3.240 10 5 EGBEMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000444702447 457949412 /nfs/dbraw/zinc/94/94/12/457949412.db2.gz INWWONKWTYGYAO-KRWDZBQOSA-N 1 1 344.411 3.083 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412059400 458073760 /nfs/dbraw/zinc/07/37/60/458073760.db2.gz XEKFGQGUWMHNNU-GDBMZVCRSA-N 1 1 331.416 3.133 10 5 EGBEMO CC(=O)c1ccc(N2CCC(n3c[nH+]cc3C)CC2)c([N+](=O)[O-])c1 ZINC000376742341 458381085 /nfs/dbraw/zinc/38/10/85/458381085.db2.gz NRWBKPJFOSRVFP-UHFFFAOYSA-N 1 1 328.372 3.144 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000430211493 458421716 /nfs/dbraw/zinc/42/17/16/458421716.db2.gz ALGSQDKGGYAQHA-NSHDSACASA-N 1 1 330.340 3.183 10 5 EGBEMO CC[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000431863075 458636482 /nfs/dbraw/zinc/63/64/82/458636482.db2.gz CLXSBLRKWYUMMS-RDJZCZTQSA-N 1 1 333.432 3.427 10 5 EGBEMO Cc1cc(Nc2ccncc2[N+](=O)[O-])c[nH+]c1N1CCCC[C@H]1C ZINC000503281283 458700739 /nfs/dbraw/zinc/70/07/39/458700739.db2.gz OTKHMWXXTVZWFU-CYBMUJFWSA-N 1 1 327.388 3.238 10 5 EGBEMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000441006506 458875935 /nfs/dbraw/zinc/87/59/35/458875935.db2.gz CAGDEOZQSZQISG-IFXJQAMLSA-N 1 1 342.395 3.298 10 5 EGBEMO C[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594589409 459100497 /nfs/dbraw/zinc/10/04/97/459100497.db2.gz JLUNNMGTSCGWRQ-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000534660886 459343199 /nfs/dbraw/zinc/34/31/99/459343199.db2.gz PFGLJHJNLPTTTN-MRXNPFEDSA-N 1 1 334.416 3.334 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000534660886 459343204 /nfs/dbraw/zinc/34/32/04/459343204.db2.gz PFGLJHJNLPTTTN-MRXNPFEDSA-N 1 1 334.416 3.334 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000595732735 459418863 /nfs/dbraw/zinc/41/88/63/459418863.db2.gz HXVFLBCGDAWTKV-GVDBMIGSSA-N 1 1 332.400 3.149 10 5 EGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c2c(c1)COCO2 ZINC000595831498 459456701 /nfs/dbraw/zinc/45/67/01/459456701.db2.gz DBXCDLCZWJYRTM-CQSZACIVSA-N 1 1 332.400 3.473 10 5 EGBEMO COc1cc(C[NH+]2CCN(c3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000485799498 459470450 /nfs/dbraw/zinc/47/04/50/459470450.db2.gz ISMRFIXLNKDVIJ-UHFFFAOYSA-N 1 1 341.411 3.234 10 5 EGBEMO Cn1c2ccccc2cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1=O ZINC000570003018 459545280 /nfs/dbraw/zinc/54/52/80/459545280.db2.gz XLZYWURAHXTZCG-UHFFFAOYSA-N 1 1 337.379 3.079 10 5 EGBEMO Cn1c2ccccc2cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1=O ZINC000570003018 459545284 /nfs/dbraw/zinc/54/52/84/459545284.db2.gz XLZYWURAHXTZCG-UHFFFAOYSA-N 1 1 337.379 3.079 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596308815 459591941 /nfs/dbraw/zinc/59/19/41/459591941.db2.gz VYLORGYZDFSGRO-SNVBAGLBSA-N 1 1 343.225 3.037 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000596422511 459632627 /nfs/dbraw/zinc/63/26/27/459632627.db2.gz CZWPJGPUXXCFMH-QGZVFWFLSA-N 1 1 341.411 3.082 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000596656778 459716829 /nfs/dbraw/zinc/71/68/29/459716829.db2.gz FYANCGXRVNILDP-ZDUSSCGKSA-N 1 1 348.447 3.002 10 5 EGBEMO CC[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602118453 459847185 /nfs/dbraw/zinc/84/71/85/459847185.db2.gz RKCSGFHHKHPMHV-HNNXBMFYSA-N 1 1 330.388 3.182 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)cs1 ZINC000597255197 459897432 /nfs/dbraw/zinc/89/74/32/459897432.db2.gz SSILHPFOFTYYPC-OAHLLOKOSA-N 1 1 333.413 3.045 10 5 EGBEMO Cc1[nH+]ccn1CCCN(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593467407 459898412 /nfs/dbraw/zinc/89/84/12/459898412.db2.gz QBSOALMWLJDEQF-UHFFFAOYSA-N 1 1 325.372 3.174 10 5 EGBEMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC1(F)F ZINC000588232733 459935169 /nfs/dbraw/zinc/93/51/69/459935169.db2.gz ZPQHPXYSOBTHBQ-ZWNOBZJWSA-N 1 1 327.331 3.089 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCc3ccccc3C2)c1 ZINC000589498149 460094491 /nfs/dbraw/zinc/09/44/91/460094491.db2.gz CQPVGTNVDOCVFO-UHFFFAOYSA-N 1 1 340.379 3.330 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCc3ccccc3C2)c1 ZINC000589498149 460094500 /nfs/dbraw/zinc/09/45/00/460094500.db2.gz CQPVGTNVDOCVFO-UHFFFAOYSA-N 1 1 340.379 3.330 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000589515153 460098008 /nfs/dbraw/zinc/09/80/08/460098008.db2.gz LRMUNDLUAYFRBV-JTQLQIEISA-N 1 1 346.305 3.156 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000589515153 460098016 /nfs/dbraw/zinc/09/80/16/460098016.db2.gz LRMUNDLUAYFRBV-JTQLQIEISA-N 1 1 346.305 3.156 10 5 EGBEMO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000599061139 460146089 /nfs/dbraw/zinc/14/60/89/460146089.db2.gz OENWGNNAIMYJTC-SECBINFHSA-N 1 1 328.294 3.198 10 5 EGBEMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599673377 460305333 /nfs/dbraw/zinc/30/53/33/460305333.db2.gz QBBCSXPQISSECT-CYBMUJFWSA-N 1 1 347.415 3.197 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599689239 460312619 /nfs/dbraw/zinc/31/26/19/460312619.db2.gz HWJBWUKZARIMGU-REUDQUMMSA-N 1 1 334.416 3.013 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599787218 460333597 /nfs/dbraw/zinc/33/35/97/460333597.db2.gz QJHIFKIGZZTVFH-MRXNPFEDSA-N 1 1 346.431 3.296 10 5 EGBEMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600469384 460499670 /nfs/dbraw/zinc/49/96/70/460499670.db2.gz AKEZZWNCGHNPTQ-ZDUSSCGKSA-N 1 1 349.456 3.063 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+][C@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000601289933 460778951 /nfs/dbraw/zinc/77/89/51/460778951.db2.gz WSBMMDRWKOEARA-JKSUJKDBSA-N 1 1 326.400 3.340 10 5 EGBEMO C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872067800 1296714950 /nfs/dbraw/zinc/71/49/50/1296714950.db2.gz CKVLGDPTABGNIP-WDEREUQCSA-N 1 1 341.383 3.298 10 5 EGBEMO CSC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000872072834 1296718018 /nfs/dbraw/zinc/71/80/18/1296718018.db2.gz KHJRIBLDGRWFKE-GFCCVEGCSA-N 1 1 341.452 3.212 10 5 EGBEMO Cc1ccc(O[C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858011110 1328656932 /nfs/dbraw/zinc/65/69/32/1328656932.db2.gz KDWOIFWYOQRIQV-XQDHMALISA-N 1 1 339.395 3.465 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+](CCOC2CCSCC2)C2CC2)cc1 ZINC000930141164 1328797126 /nfs/dbraw/zinc/79/71/26/1328797126.db2.gz SLDBCWCJSPKTOU-UHFFFAOYSA-N 1 1 336.457 3.471 10 5 EGBEMO COc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000858781534 1328859510 /nfs/dbraw/zinc/85/95/10/1328859510.db2.gz WSQAKXHYNQFTLV-ZDUSSCGKSA-N 1 1 335.404 3.041 10 5 EGBEMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000862797306 1329510604 /nfs/dbraw/zinc/51/06/04/1329510604.db2.gz WCCMDFHEBZDMML-AWEZNQCLSA-N 1 1 341.411 3.210 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000863339918 1329548277 /nfs/dbraw/zinc/54/82/77/1329548277.db2.gz GSSSACRRRIFNOV-MPNWYJEXSA-N 1 1 341.415 3.489 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000863339918 1329548279 /nfs/dbraw/zinc/54/82/79/1329548279.db2.gz GSSSACRRRIFNOV-MPNWYJEXSA-N 1 1 341.415 3.489 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC[C@H]21 ZINC000866207709 1330078421 /nfs/dbraw/zinc/07/84/21/1330078421.db2.gz JBQUVMZBTNMRPT-CZUORRHYSA-N 1 1 344.440 3.249 10 5 EGBEMO CCc1cc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)ccc1C ZINC000867977544 1330235547 /nfs/dbraw/zinc/23/55/47/1330235547.db2.gz KEPFWKLUCVGBRY-GOSISDBHSA-N 1 1 327.384 3.278 10 5 EGBEMO C[N@@H+](CCNc1c2ccccc2ncc1[N+](=O)[O-])C1CCCCC1 ZINC001185046589 1387597340 /nfs/dbraw/zinc/59/73/40/1387597340.db2.gz RIBZUSMXXMBDEN-UHFFFAOYSA-N 1 1 328.416 3.241 10 5 EGBEMO C[C@@H]1CCC[C@@H]([N@@H+](CC[N+](=O)[O-])Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001190682912 1367327339 /nfs/dbraw/zinc/32/73/39/1367327339.db2.gz PXDYWABPXUXTQB-IIAWOOMASA-N 1 1 334.416 3.319 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](CC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001196176527 1368563347 /nfs/dbraw/zinc/56/33/47/1368563347.db2.gz WGFIUQUPSHKYMD-ZIAGYGMSSA-N 1 1 349.431 3.443 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](CC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001196176527 1368563354 /nfs/dbraw/zinc/56/33/54/1368563354.db2.gz WGFIUQUPSHKYMD-ZIAGYGMSSA-N 1 1 349.431 3.443 10 5 EGBEMO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001186864545 1388017567 /nfs/dbraw/zinc/01/75/67/1388017567.db2.gz LCCWCVJKLHYNQQ-UTUOFQBUSA-N 1 1 327.812 3.158 10 5 EGBEMO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001186864545 1388017571 /nfs/dbraw/zinc/01/75/71/1388017571.db2.gz LCCWCVJKLHYNQQ-UTUOFQBUSA-N 1 1 327.812 3.158 10 5 EGBEMO Cc1cc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001127462238 1373129203 /nfs/dbraw/zinc/12/92/03/1373129203.db2.gz OUOVPFJTNQRCPQ-INIZCTEOSA-N 1 1 339.395 3.364 10 5 EGBEMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001130585684 1373566322 /nfs/dbraw/zinc/56/63/22/1373566322.db2.gz LDTPWGQYUIEQDH-BFHYXJOUSA-N 1 1 347.459 3.445 10 5 EGBEMO C[N@@H+](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC001148159129 1379125982 /nfs/dbraw/zinc/12/59/82/1379125982.db2.gz GOIWZWMLMPYRLN-UHFFFAOYSA-N 1 1 333.432 3.242 10 5 EGBEMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001162258357 1382707772 /nfs/dbraw/zinc/70/77/72/1382707772.db2.gz JYTOTQNBTDXZQM-GXTWGEPZSA-N 1 1 349.431 3.222 10 5 EGBEMO COC(=O)/C=C\c1ccc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC001163449479 1383054403 /nfs/dbraw/zinc/05/44/03/1383054403.db2.gz AYAFVYICSOPLIY-POHAHGRESA-N 1 1 347.415 3.067 10 5 EGBEMO Cc1[nH]c(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])c(C)[nH+]1 ZINC001164181882 1383163759 /nfs/dbraw/zinc/16/37/59/1383163759.db2.gz MEXUDNPSKTVEGE-UHFFFAOYSA-N 1 1 331.763 3.170 10 5 EGBEMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398375 1383623538 /nfs/dbraw/zinc/62/35/38/1383623538.db2.gz ZIWOULNJGSMFNL-HNNXBMFYSA-N 1 1 331.416 3.137 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398375 1383623542 /nfs/dbraw/zinc/62/35/42/1383623542.db2.gz ZIWOULNJGSMFNL-HNNXBMFYSA-N 1 1 331.416 3.137 10 5 EGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC001167656297 1383700176 /nfs/dbraw/zinc/70/01/76/1383700176.db2.gz IRFQLVFWCAKPNS-SFHVURJKSA-N 1 1 328.416 3.355 10 5 EGBEMO CCO[C@H]1C[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001167665310 1383704655 /nfs/dbraw/zinc/70/46/55/1383704655.db2.gz ZDIDKFFHNLLNBB-IRXDYDNUSA-N 1 1 334.416 3.253 10 5 EGBEMO CC[N@@H+](CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])C(C)C ZINC001306956399 1383925888 /nfs/dbraw/zinc/92/58/88/1383925888.db2.gz DOUVIWUAMBXIIA-UHFFFAOYSA-N 1 1 336.823 3.361 10 5 EGBEMO CC[N@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC001168838709 1384027698 /nfs/dbraw/zinc/02/76/98/1384027698.db2.gz QCAVBRFWQZVZRX-LSDHHAIUSA-N 1 1 335.448 3.297 10 5 EGBEMO C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC001169754180 1384182875 /nfs/dbraw/zinc/18/28/75/1384182875.db2.gz ITLMUYPDEORGPG-UHFFFAOYSA-N 1 1 332.231 3.428 10 5 EGBEMO CC[C@H](NC(=O)NCC[N@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC001312432637 1384347742 /nfs/dbraw/zinc/34/77/42/1384347742.db2.gz FTOXRTVCYOVQBU-INIZCTEOSA-N 1 1 348.447 3.077 10 5 EGBEMO CCC[N@H+](CCNC(=O)C1(C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317543574 1385286016 /nfs/dbraw/zinc/28/60/16/1385286016.db2.gz XRNUXMWHJWVWJM-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CCC[N@@H+](CCNC(=O)C1(C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317543574 1385286019 /nfs/dbraw/zinc/28/60/19/1385286019.db2.gz XRNUXMWHJWVWJM-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO Cn1cncc1C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001176978348 1385762412 /nfs/dbraw/zinc/76/24/12/1385762412.db2.gz RJOWPVHVYRBRIB-UHFFFAOYSA-N 1 1 334.807 3.361 10 5 EGBEMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001320080690 1386498165 /nfs/dbraw/zinc/49/81/65/1386498165.db2.gz KKPIVQNWZKEJOM-IFXJQAMLSA-N 1 1 344.411 3.200 10 5 EGBEMO CC/C=C(\C)C(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481161185 1393138788 /nfs/dbraw/zinc/13/87/88/1393138788.db2.gz CWRNTWDPLCVPNA-MKMNVTDBSA-N 1 1 331.416 3.032 10 5 EGBEMO CC/C=C(\C)C(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001481161185 1393138789 /nfs/dbraw/zinc/13/87/89/1393138789.db2.gz CWRNTWDPLCVPNA-MKMNVTDBSA-N 1 1 331.416 3.032 10 5 EGBEMO C[N@@H+](CCNC(=O)C1(C)CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001690973668 1404882669 /nfs/dbraw/zinc/88/26/69/1404882669.db2.gz PHDGOJAKGIKAAG-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1c(C)coc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001731801104 1427963543 /nfs/dbraw/zinc/96/35/43/1427963543.db2.gz JLDRCBLQHYLDDD-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccsc1 ZINC001700188323 1413613074 /nfs/dbraw/zinc/61/30/74/1413613074.db2.gz VFWHYQMEKDKIBB-UHFFFAOYSA-N 1 1 347.440 3.250 10 5 EGBEMO CCC1(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001712965874 1417520528 /nfs/dbraw/zinc/52/05/28/1417520528.db2.gz LFAWLEICEDUVCN-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CN(CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)CC1(C)CC1 ZINC001717208159 1421179622 /nfs/dbraw/zinc/17/96/22/1421179622.db2.gz FEXNMLIBASPJQH-UHFFFAOYSA-N 1 1 339.461 3.127 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)CC1(C)CC1 ZINC001717208159 1421179623 /nfs/dbraw/zinc/17/96/23/1421179623.db2.gz FEXNMLIBASPJQH-UHFFFAOYSA-N 1 1 339.461 3.127 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953879 231078784 /nfs/dbraw/zinc/07/87/84/231078784.db2.gz KLQPZBOXFDFOFE-MRXNPFEDSA-N 1 1 347.459 3.233 10 5 EGBEMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268574207 252035658 /nfs/dbraw/zinc/03/56/58/252035658.db2.gz POQJAWHYDIADFK-HNNXBMFYSA-N 1 1 345.424 3.003 10 5 EGBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153935639 224178619 /nfs/dbraw/zinc/17/86/19/224178619.db2.gz DOJAURZXCOCOKH-MDASCCDHSA-N 1 1 342.395 3.090 10 5 EGBEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153935639 224178621 /nfs/dbraw/zinc/17/86/21/224178621.db2.gz DOJAURZXCOCOKH-MDASCCDHSA-N 1 1 342.395 3.090 10 5 EGBEMO Cc1sc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000154700577 224292311 /nfs/dbraw/zinc/29/23/11/224292311.db2.gz AULDGAVHZJSEMG-UHFFFAOYSA-N 1 1 337.445 3.055 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119263803 221279862 /nfs/dbraw/zinc/27/98/62/221279862.db2.gz LYHOQCMBBVALDS-QGZVFWFLSA-N 1 1 344.415 3.166 10 5 EGBEMO COc1cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925211 141218587 /nfs/dbraw/zinc/21/85/87/141218587.db2.gz GSLDTBJJIAQUNC-ZBFHGGJFSA-N 1 1 347.459 3.346 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000191333792 153188260 /nfs/dbraw/zinc/18/82/60/153188260.db2.gz ZHUYODJNWHLABM-ZFWWWQNUSA-N 1 1 334.420 3.062 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359553028 167190902 /nfs/dbraw/zinc/19/09/02/167190902.db2.gz GXMWHPZWIQVOIK-FZKQIMNGSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1c(C[NH2+]Cc2nccn2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000359806116 167237680 /nfs/dbraw/zinc/23/76/80/167237680.db2.gz SSYJNXOSBXOBHJ-UHFFFAOYSA-N 1 1 336.395 3.438 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H]([NH2+]CCN2CCCC2)c2ccccc2)c1 ZINC000180003853 265394598 /nfs/dbraw/zinc/39/45/98/265394598.db2.gz PTBMXDPLBQSQGA-LJQANCHMSA-N 1 1 325.412 3.370 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278410780 268007711 /nfs/dbraw/zinc/00/77/11/268007711.db2.gz QAUOXNJJRGTNNA-VIFPVBQESA-N 1 1 333.266 3.277 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278410780 268007712 /nfs/dbraw/zinc/00/77/12/268007712.db2.gz QAUOXNJJRGTNNA-VIFPVBQESA-N 1 1 333.266 3.277 10 5 EGBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278915154 275287245 /nfs/dbraw/zinc/28/72/45/275287245.db2.gz WETKIEDRTCHBIM-QWRGUYRKSA-N 1 1 345.321 3.196 10 5 EGBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278915154 275287247 /nfs/dbraw/zinc/28/72/47/275287247.db2.gz WETKIEDRTCHBIM-QWRGUYRKSA-N 1 1 345.321 3.196 10 5 EGBEMO CCOc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000096011596 276381400 /nfs/dbraw/zinc/38/14/00/276381400.db2.gz QDTYNUUATKBOFE-CABCVRRESA-N 1 1 333.432 3.445 10 5 EGBEMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000289755382 276388785 /nfs/dbraw/zinc/38/87/85/276388785.db2.gz RLDAUGVSJMAKCK-WDEREUQCSA-N 1 1 340.811 3.195 10 5 EGBEMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289808332 276398541 /nfs/dbraw/zinc/39/85/41/276398541.db2.gz NHTDWLLPWHZNBB-UHFFFAOYSA-N 1 1 329.400 3.453 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295742218 308355730 /nfs/dbraw/zinc/35/57/30/308355730.db2.gz WRFZKGIQXGJZFS-ZIAGYGMSSA-N 1 1 333.432 3.269 10 5 EGBEMO CN(c1nccc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000413282422 309024979 /nfs/dbraw/zinc/02/49/79/309024979.db2.gz POTPMALBBASLTA-MZBDJJRSSA-N 1 1 326.400 3.204 10 5 EGBEMO COc1cc(C[NH+]2CCC(OC)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000419362020 309265275 /nfs/dbraw/zinc/26/52/75/309265275.db2.gz XXCLBVQAJBMHQH-UHFFFAOYSA-N 1 1 348.321 3.147 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCC[NH2+]Cc1cccnc1)CCC2 ZINC000423182016 309389341 /nfs/dbraw/zinc/38/93/41/309389341.db2.gz DPLHXSHPGIHVCV-IBGZPJMESA-N 1 1 340.427 3.137 10 5 EGBEMO C[C@@H]1C[NH+](Cc2cccc(Nc3ncc([N+](=O)[O-])s3)c2)C[C@@H](C)O1 ZINC000443517582 309902446 /nfs/dbraw/zinc/90/24/46/309902446.db2.gz ISZUAKRELDLQBT-VXGBXAGGSA-N 1 1 348.428 3.404 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449348022 310055823 /nfs/dbraw/zinc/05/58/23/310055823.db2.gz ADHSDFHFHIHWNV-AWEZNQCLSA-N 1 1 338.358 3.443 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CCCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449348023 310055900 /nfs/dbraw/zinc/05/59/00/310055900.db2.gz ADHSDFHFHIHWNV-CQSZACIVSA-N 1 1 338.358 3.443 10 5 EGBEMO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419475 310060273 /nfs/dbraw/zinc/06/02/73/310060273.db2.gz HNCNFMWJZHSEFT-MJGOQNOKSA-N 1 1 344.386 3.203 10 5 EGBEMO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000449419475 310060274 /nfs/dbraw/zinc/06/02/74/310060274.db2.gz HNCNFMWJZHSEFT-MJGOQNOKSA-N 1 1 344.386 3.203 10 5 EGBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000450419153 310121366 /nfs/dbraw/zinc/12/13/66/310121366.db2.gz NLAXKBAJSJZZKZ-CABCVRRESA-N 1 1 326.400 3.089 10 5 EGBEMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)nc2c1 ZINC000451340543 310172806 /nfs/dbraw/zinc/17/28/06/310172806.db2.gz JORMSSRVXLMJLZ-NUEKZKHPSA-N 1 1 345.399 3.252 10 5 EGBEMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000456187146 310392578 /nfs/dbraw/zinc/39/25/78/310392578.db2.gz LZBRVUAIECQQBB-STQMWFEESA-N 1 1 334.420 3.084 10 5 EGBEMO COc1cccc2c1CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000489567299 311112377 /nfs/dbraw/zinc/11/23/77/311112377.db2.gz IRZKSTXKJXKKMA-UHFFFAOYSA-N 1 1 342.395 3.083 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000492751214 311287128 /nfs/dbraw/zinc/28/71/28/311287128.db2.gz RYRXPXRNJFQOMN-CVEARBPZSA-N 1 1 334.416 3.242 10 5 EGBEMO C[N@H+]1CCC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])CC[C@@H]21 ZINC000516230664 312315777 /nfs/dbraw/zinc/31/57/77/312315777.db2.gz FKHMYPUSTBCBEE-CJNGLKHVSA-N 1 1 326.400 3.064 10 5 EGBEMO C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000538277559 314236573 /nfs/dbraw/zinc/23/65/73/314236573.db2.gz SKCUBYJUSBMJAS-AWEZNQCLSA-N 1 1 333.432 3.332 10 5 EGBEMO CCCn1cc[nH+]c1CCCN(C)c1c(OC)cccc1[N+](=O)[O-] ZINC000572736026 317385286 /nfs/dbraw/zinc/38/52/86/317385286.db2.gz HVDWGEQXRPDBNH-UHFFFAOYSA-N 1 1 332.404 3.279 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000580756455 325292209 /nfs/dbraw/zinc/29/22/09/325292209.db2.gz MLOWLWRTNZJLGH-ZDUSSCGKSA-N 1 1 334.420 3.153 10 5 EGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000183120200 455233542 /nfs/dbraw/zinc/23/35/42/455233542.db2.gz OEQVKTPVGRBGIF-OBHPCNEJSA-N 1 1 345.443 3.092 10 5 EGBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000190450840 455321115 /nfs/dbraw/zinc/32/11/15/455321115.db2.gz GOKRNKYGFJWTMF-OAHLLOKOSA-N 1 1 344.390 3.087 10 5 EGBEMO Cc1sc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000028837779 453825059 /nfs/dbraw/zinc/82/50/59/453825059.db2.gz AHCCUSPXMVZPBT-CYBMUJFWSA-N 1 1 349.412 3.125 10 5 EGBEMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000041887962 453982928 /nfs/dbraw/zinc/98/29/28/453982928.db2.gz VDYZTOFXUYRHBL-UHFFFAOYSA-N 1 1 331.372 3.265 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000046551267 454262881 /nfs/dbraw/zinc/26/28/81/454262881.db2.gz SPMSRFWLEPXQGL-KXBFYZLASA-N 1 1 344.411 3.165 10 5 EGBEMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000060877298 454318717 /nfs/dbraw/zinc/31/87/17/454318717.db2.gz TXDOLDHBOQDFCC-INIZCTEOSA-N 1 1 345.443 3.385 10 5 EGBEMO CC[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000090564004 454323172 /nfs/dbraw/zinc/32/31/72/454323172.db2.gz OMVZUUDRRLNYGO-IRXDYDNUSA-N 1 1 348.447 3.220 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105803205 454657374 /nfs/dbraw/zinc/65/73/74/454657374.db2.gz OZMHSMRKUCHEEV-RHSMWYFYSA-N 1 1 341.415 3.047 10 5 EGBEMO COc1cc2c(cc1OC)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000138695387 454796183 /nfs/dbraw/zinc/79/61/83/454796183.db2.gz FZHXNXJOSIMSMY-UHFFFAOYSA-N 1 1 348.424 3.274 10 5 EGBEMO COc1ccccc1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255588428 455869970 /nfs/dbraw/zinc/86/99/70/455869970.db2.gz AMRIGYCZZDDZGV-TWGQIWQCSA-N 1 1 342.395 3.111 10 5 EGBEMO COc1ccccc1C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255588428 455869975 /nfs/dbraw/zinc/86/99/75/455869975.db2.gz AMRIGYCZZDDZGV-TWGQIWQCSA-N 1 1 342.395 3.111 10 5 EGBEMO CC(C)Cn1ccnc1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601119699 460717261 /nfs/dbraw/zinc/71/72/61/460717261.db2.gz VQZDDRIETNOHPA-UHFFFAOYSA-N 1 1 325.372 3.030 10 5 EGBEMO CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302155691 456302158 /nfs/dbraw/zinc/30/21/58/456302158.db2.gz NHPWUOYQNFWESC-UHFFFAOYSA-N 1 1 327.331 3.260 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000340275075 456354191 /nfs/dbraw/zinc/35/41/91/456354191.db2.gz AWSLWNHYMNYWOW-IEBWSBKVSA-N 1 1 341.411 3.138 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000340275075 456354196 /nfs/dbraw/zinc/35/41/96/456354196.db2.gz AWSLWNHYMNYWOW-IEBWSBKVSA-N 1 1 341.411 3.138 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000348225036 456547739 /nfs/dbraw/zinc/54/77/39/456547739.db2.gz LRHPCDHJBARGBO-WBVHZDCISA-N 1 1 340.427 3.479 10 5 EGBEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000348250604 456570585 /nfs/dbraw/zinc/57/05/85/456570585.db2.gz UFDPOLKTATUVRG-ZANVPECISA-N 1 1 346.305 3.234 10 5 EGBEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000348250604 456570588 /nfs/dbraw/zinc/57/05/88/456570588.db2.gz UFDPOLKTATUVRG-ZANVPECISA-N 1 1 346.305 3.234 10 5 EGBEMO CCOc1cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276850086 456598464 /nfs/dbraw/zinc/59/84/64/456598464.db2.gz DNBUMOUWGHKKKC-ZBFHGGJFSA-N 1 1 335.448 3.156 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+][C@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000353610618 456801966 /nfs/dbraw/zinc/80/19/66/456801966.db2.gz XEQLTWPTTGYPHU-JKSUJKDBSA-N 1 1 326.400 3.340 10 5 EGBEMO CO[C@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000353789634 456907065 /nfs/dbraw/zinc/90/70/65/456907065.db2.gz CYHCVMLNNVQLRE-LLVKDONJSA-N 1 1 332.347 3.442 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)c2ccsc2)c1 ZINC000339093188 456937357 /nfs/dbraw/zinc/93/73/57/456937357.db2.gz BCGKHRYSPYBNFK-CYBMUJFWSA-N 1 1 346.330 3.498 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000349964224 457123939 /nfs/dbraw/zinc/12/39/39/457123939.db2.gz DVZARPBELVVFTJ-GOSISDBHSA-N 1 1 339.395 3.141 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000349964224 457123944 /nfs/dbraw/zinc/12/39/44/457123944.db2.gz DVZARPBELVVFTJ-GOSISDBHSA-N 1 1 339.395 3.141 10 5 EGBEMO Cc1cnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000354431698 457217549 /nfs/dbraw/zinc/21/75/49/457217549.db2.gz SBHLIEKHXRJTIM-INIZCTEOSA-N 1 1 326.400 3.009 10 5 EGBEMO C[C@@H]1c2ccccc2C[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361072189 457563095 /nfs/dbraw/zinc/56/30/95/457563095.db2.gz FPBNCEIRLYTYLR-ACJLOTCBSA-N 1 1 337.379 3.277 10 5 EGBEMO C[C@@H]1c2ccccc2C[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361072189 457563098 /nfs/dbraw/zinc/56/30/98/457563098.db2.gz FPBNCEIRLYTYLR-ACJLOTCBSA-N 1 1 337.379 3.277 10 5 EGBEMO CCc1ccc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000364368961 457582394 /nfs/dbraw/zinc/58/23/94/457582394.db2.gz KQZQIMDAECMVJB-UHFFFAOYSA-N 1 1 342.399 3.139 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364800335 457696245 /nfs/dbraw/zinc/69/62/45/457696245.db2.gz PCQSXKQCCIZRLV-CQSZACIVSA-N 1 1 344.390 3.402 10 5 EGBEMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357930872 457732878 /nfs/dbraw/zinc/73/28/78/457732878.db2.gz FZSDWDQLRQQKDM-KGLIPLIRSA-N 1 1 336.436 3.075 10 5 EGBEMO CC1(C)C[C@@H]([NH2+]Cc2nnc3ccccn32)c2cc([N+](=O)[O-])ccc21 ZINC000433225593 457783744 /nfs/dbraw/zinc/78/37/44/457783744.db2.gz CEADXTHKJLNDRB-OAHLLOKOSA-N 1 1 337.383 3.150 10 5 EGBEMO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000444702453 457947832 /nfs/dbraw/zinc/94/78/32/457947832.db2.gz INWWONKWTYGYAO-QGZVFWFLSA-N 1 1 344.411 3.083 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000369368961 458191187 /nfs/dbraw/zinc/19/11/87/458191187.db2.gz DGXZYSNIKGJYMW-LBPRGKRZSA-N 1 1 332.791 3.418 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000369368961 458191193 /nfs/dbraw/zinc/19/11/93/458191193.db2.gz DGXZYSNIKGJYMW-LBPRGKRZSA-N 1 1 332.791 3.418 10 5 EGBEMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000376374275 458281629 /nfs/dbraw/zinc/28/16/29/458281629.db2.gz CTRLUKDIHONJLE-ZDUSSCGKSA-N 1 1 340.395 3.381 10 5 EGBEMO CC(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000438509038 458588214 /nfs/dbraw/zinc/58/82/14/458588214.db2.gz XHBLIRZQORXDOV-NSHDSACASA-N 1 1 325.796 3.165 10 5 EGBEMO CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000438509038 458588221 /nfs/dbraw/zinc/58/82/21/458588221.db2.gz XHBLIRZQORXDOV-NSHDSACASA-N 1 1 325.796 3.165 10 5 EGBEMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000478047036 459074911 /nfs/dbraw/zinc/07/49/11/459074911.db2.gz LACHIXZXYDDPFT-MRXNPFEDSA-N 1 1 334.395 3.130 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000534660885 459343358 /nfs/dbraw/zinc/34/33/58/459343358.db2.gz PFGLJHJNLPTTTN-INIZCTEOSA-N 1 1 334.416 3.334 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000534660885 459343361 /nfs/dbraw/zinc/34/33/61/459343361.db2.gz PFGLJHJNLPTTTN-INIZCTEOSA-N 1 1 334.416 3.334 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000595733894 459418712 /nfs/dbraw/zinc/41/87/12/459418712.db2.gz JTCYNXDYNAFOLO-GVDBMIGSSA-N 1 1 332.400 3.149 10 5 EGBEMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000542545685 459570401 /nfs/dbraw/zinc/57/04/01/459570401.db2.gz TZWPEXPCQSDRBX-ZFWWWQNUSA-N 1 1 326.824 3.477 10 5 EGBEMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000542545685 459570406 /nfs/dbraw/zinc/57/04/06/459570406.db2.gz TZWPEXPCQSDRBX-ZFWWWQNUSA-N 1 1 326.824 3.477 10 5 EGBEMO C[C@H](O)[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000572984958 459605962 /nfs/dbraw/zinc/60/59/62/459605962.db2.gz UCVHAPYQYXACBU-LIXBPZJASA-N 1 1 330.359 3.433 10 5 EGBEMO CCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596451816 459641880 /nfs/dbraw/zinc/64/18/80/459641880.db2.gz CFGDWQYCGHQQPL-GOEBONIOSA-N 1 1 348.447 3.090 10 5 EGBEMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592770758 459686985 /nfs/dbraw/zinc/68/69/85/459686985.db2.gz CNLLZZVHWKNLHN-ZIAGYGMSSA-N 1 1 344.415 3.491 10 5 EGBEMO Cc1c(C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000596599148 459692633 /nfs/dbraw/zinc/69/26/33/459692633.db2.gz QJQWOIAADIKIEA-UHFFFAOYSA-N 1 1 328.416 3.221 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000593021285 459742499 /nfs/dbraw/zinc/74/24/99/459742499.db2.gz TYRALWUSTMGZLT-UHFFFAOYSA-N 1 1 344.342 3.299 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000593023327 459743408 /nfs/dbraw/zinc/74/34/08/459743408.db2.gz QBAFFZKRFRIEPD-KRWDZBQOSA-N 1 1 341.367 3.017 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2Cc2ccccc2F)c1 ZINC000593084246 459767502 /nfs/dbraw/zinc/76/75/02/459767502.db2.gz QDRFJFROYYEMOP-HNNXBMFYSA-N 1 1 332.379 3.028 10 5 EGBEMO C[N@H+]1CCCC[C@H]1CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000574167822 459788131 /nfs/dbraw/zinc/78/81/31/459788131.db2.gz LWHQXVAGXVVMRQ-HNNXBMFYSA-N 1 1 333.432 3.211 10 5 EGBEMO CC(C)(C)[N@H+]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593457404 459894148 /nfs/dbraw/zinc/89/41/48/459894148.db2.gz MLQNQVAWJMEZCJ-UHFFFAOYSA-N 1 1 328.416 3.454 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3n[nH]c4ccccc43)c2c1 ZINC000588933631 460006863 /nfs/dbraw/zinc/00/68/63/460006863.db2.gz MADKIYFCGWFLSA-UHFFFAOYSA-N 1 1 335.367 3.285 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCc2ccc(F)cc2)c1 ZINC000589497464 460095226 /nfs/dbraw/zinc/09/52/26/460095226.db2.gz XLLBEVJGPAQFHD-UHFFFAOYSA-N 1 1 346.358 3.195 10 5 EGBEMO CC[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598943370 460098111 /nfs/dbraw/zinc/09/81/11/460098111.db2.gz SOCJYAFAHRERNH-MSOLQXFVSA-N 1 1 339.395 3.349 10 5 EGBEMO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597945527 460122152 /nfs/dbraw/zinc/12/21/52/460122152.db2.gz HPAIYCHAJNYTAO-AWEZNQCLSA-N 1 1 333.432 3.059 10 5 EGBEMO CC(C)(C)[N@H+]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599034576 460133420 /nfs/dbraw/zinc/13/34/20/460133420.db2.gz HTHSIIYWDVQIOK-UHFFFAOYSA-N 1 1 328.416 3.454 10 5 EGBEMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599054750 460142805 /nfs/dbraw/zinc/14/28/05/460142805.db2.gz NGADJBBNBLMYIE-HNNXBMFYSA-N 1 1 340.427 3.311 10 5 EGBEMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000599139321 460172497 /nfs/dbraw/zinc/17/24/97/460172497.db2.gz KBHGEIIJESQPOI-CYBMUJFWSA-N 1 1 333.413 3.351 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000599139321 460172505 /nfs/dbraw/zinc/17/25/05/460172505.db2.gz KBHGEIIJESQPOI-CYBMUJFWSA-N 1 1 333.413 3.351 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987921 460211402 /nfs/dbraw/zinc/21/14/02/460211402.db2.gz VZRLMPAENNHKFR-COPLHBTASA-N 1 1 332.322 3.067 10 5 EGBEMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671625 460304445 /nfs/dbraw/zinc/30/44/45/460304445.db2.gz ZSAMNZAEPKYWHQ-FZKQIMNGSA-N 1 1 340.379 3.428 10 5 EGBEMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671625 460304449 /nfs/dbraw/zinc/30/44/49/460304449.db2.gz ZSAMNZAEPKYWHQ-FZKQIMNGSA-N 1 1 340.379 3.428 10 5 EGBEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619431654 460354282 /nfs/dbraw/zinc/35/42/82/460354282.db2.gz VHWGFKIKNKQGDD-KOLCDFICSA-N 1 1 346.305 3.139 10 5 EGBEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619431654 460354283 /nfs/dbraw/zinc/35/42/83/460354283.db2.gz VHWGFKIKNKQGDD-KOLCDFICSA-N 1 1 346.305 3.139 10 5 EGBEMO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000619534959 460376817 /nfs/dbraw/zinc/37/68/17/460376817.db2.gz KDXAWHWBIFSWDX-MVVQUZEJSA-N 1 1 346.427 3.266 10 5 EGBEMO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000619534959 460376822 /nfs/dbraw/zinc/37/68/22/460376822.db2.gz KDXAWHWBIFSWDX-MVVQUZEJSA-N 1 1 346.427 3.266 10 5 EGBEMO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000600229104 460449889 /nfs/dbraw/zinc/44/98/89/460449889.db2.gz PHJJPVZISUMLST-MRXNPFEDSA-N 1 1 331.416 3.040 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000600229898 460450797 /nfs/dbraw/zinc/45/07/97/460450797.db2.gz WXLJCHJHXOASLI-HNNXBMFYSA-N 1 1 331.416 3.040 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601972718 460967572 /nfs/dbraw/zinc/96/75/72/460967572.db2.gz NLCULUPWMDFSCU-SAAWKEMMSA-N 1 1 326.343 3.354 10 5 EGBEMO C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872090506 1296728750 /nfs/dbraw/zinc/72/87/50/1296728750.db2.gz QHIZFTZRRBFYBJ-MEDUHNTESA-N 1 1 343.358 3.211 10 5 EGBEMO COCC(C)(C)CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000872104745 1296732272 /nfs/dbraw/zinc/73/22/72/1296732272.db2.gz OKRKUKWQHXUNNU-MRXNPFEDSA-N 1 1 346.431 3.070 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC000872235842 1296835639 /nfs/dbraw/zinc/83/56/39/1296835639.db2.gz KXHHCNNMCFJARO-RBUKOAKNSA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC000872235842 1296835659 /nfs/dbraw/zinc/83/56/59/1296835659.db2.gz KXHHCNNMCFJARO-RBUKOAKNSA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1ccnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000311239690 1297105999 /nfs/dbraw/zinc/10/59/99/1297105999.db2.gz YKPBFLUDHNPTGW-BPQIPLTHSA-N 1 1 338.411 3.312 10 5 EGBEMO CC(=O)NCCCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000930636108 1328921895 /nfs/dbraw/zinc/92/18/95/1328921895.db2.gz CZKQXGYJAYGQPP-QGZVFWFLSA-N 1 1 333.432 3.081 10 5 EGBEMO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(OC)n1 ZINC000924950970 1323225744 /nfs/dbraw/zinc/22/57/44/1323225744.db2.gz BBGXMRGJSGSHAM-CQSZACIVSA-N 1 1 331.372 3.248 10 5 EGBEMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000860700987 1329345754 /nfs/dbraw/zinc/34/57/54/1329345754.db2.gz WONYSTQIVCNMJF-ZDUSSCGKSA-N 1 1 339.395 3.128 10 5 EGBEMO Cc1c(F)nccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000862248252 1329470799 /nfs/dbraw/zinc/47/07/99/1329470799.db2.gz JDCSKHHPFISNCC-UHFFFAOYSA-N 1 1 345.374 3.481 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339539 1329548324 /nfs/dbraw/zinc/54/83/24/1329548324.db2.gz DAZFWUVYKCSDAR-IBUXWKBASA-N 1 1 331.372 3.138 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339539 1329548326 /nfs/dbraw/zinc/54/83/26/1329548326.db2.gz DAZFWUVYKCSDAR-IBUXWKBASA-N 1 1 331.372 3.138 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000863340562 1329548564 /nfs/dbraw/zinc/54/85/64/1329548564.db2.gz LMRNVCVYBYTREF-RDFMZFSFSA-N 1 1 329.404 3.284 10 5 EGBEMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC001187662433 1388138871 /nfs/dbraw/zinc/13/88/71/1388138871.db2.gz BPXXPSHANZJCPV-FZMZJTMJSA-N 1 1 330.363 3.300 10 5 EGBEMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001128974699 1373329447 /nfs/dbraw/zinc/32/94/47/1373329447.db2.gz MVNZJZIJXXSSBR-HNNXBMFYSA-N 1 1 347.459 3.449 10 5 EGBEMO CCC1(CC)[C@H]([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001167765548 1383736050 /nfs/dbraw/zinc/73/60/50/1383736050.db2.gz FRWMVKGSQAOAEB-SJORKVTESA-N 1 1 336.432 3.499 10 5 EGBEMO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1C ZINC001307164015 1383948234 /nfs/dbraw/zinc/94/82/34/1383948234.db2.gz KHGCKSULRLZNAK-ZDUSSCGKSA-N 1 1 349.431 3.365 10 5 EGBEMO CC(C)(C)C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001307848332 1384041285 /nfs/dbraw/zinc/04/12/85/1384041285.db2.gz XRPBNDKGYQHVNJ-PBHICJAKSA-N 1 1 345.443 3.458 10 5 EGBEMO COc1ccc(OCC[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC001308121584 1384096543 /nfs/dbraw/zinc/09/65/43/1384096543.db2.gz OFUJPAORNHMQFE-RDJZCZTQSA-N 1 1 346.427 3.493 10 5 EGBEMO C[N@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC001170072488 1384229339 /nfs/dbraw/zinc/22/93/39/1384229339.db2.gz BEKVMNJSGQIJTR-SFHVURJKSA-N 1 1 343.402 3.093 10 5 EGBEMO C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001175054188 1385187001 /nfs/dbraw/zinc/18/70/01/1385187001.db2.gz RKPLNUMDQXSQIZ-XYBNCVKDSA-N 1 1 343.427 3.162 10 5 EGBEMO COc1ccc(C[N@@H+](C)CCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC001176184067 1385504834 /nfs/dbraw/zinc/50/48/34/1385504834.db2.gz GLVRGPDUMPHTSD-UHFFFAOYSA-N 1 1 344.367 3.007 10 5 EGBEMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001176515450 1385612370 /nfs/dbraw/zinc/61/23/70/1385612370.db2.gz IRUAZBOBNSXBPC-HNNXBMFYSA-N 1 1 335.404 3.036 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)o2)cc1 ZINC001319823887 1386318793 /nfs/dbraw/zinc/31/87/93/1386318793.db2.gz VERMIZNNHXTRSB-RTHVDDQRSA-N 1 1 342.395 3.448 10 5 EGBEMO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001322466182 1387191817 /nfs/dbraw/zinc/19/18/17/1387191817.db2.gz ONWVASLJCJQZMO-SUMWQHHRSA-N 1 1 346.456 3.277 10 5 EGBEMO Cc1scc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001480868402 1392989789 /nfs/dbraw/zinc/98/97/89/1392989789.db2.gz PQBISYCOAZXDSL-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C12CCC(CC1)C2 ZINC001496729319 1396725317 /nfs/dbraw/zinc/72/53/17/1396725317.db2.gz HOKLPIYMLZSXLW-UHFFFAOYSA-N 1 1 345.443 3.065 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C12CCC(CC1)C2 ZINC001496729319 1396725320 /nfs/dbraw/zinc/72/53/20/1396725320.db2.gz HOKLPIYMLZSXLW-UHFFFAOYSA-N 1 1 345.443 3.065 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001689917034 1404206872 /nfs/dbraw/zinc/20/68/72/1404206872.db2.gz GCOWQSSHRGQOOQ-UHFFFAOYSA-N 1 1 347.440 3.298 10 5 EGBEMO CC(C)CC1(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001690959040 1404867457 /nfs/dbraw/zinc/86/74/57/1404867457.db2.gz HDNKROBOOQIJPK-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO CC(C)CC1(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001690959040 1404867460 /nfs/dbraw/zinc/86/74/60/1404867460.db2.gz HDNKROBOOQIJPK-UHFFFAOYSA-N 1 1 347.459 3.359 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1CC2(CCC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001731260154 1427209202 /nfs/dbraw/zinc/20/92/02/1427209202.db2.gz FCZUHUWZDDRCHV-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000171578018 529761209 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1 1 348.447 3.170 10 5 EGBEMO CC[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346268280 141188980 /nfs/dbraw/zinc/18/89/80/141188980.db2.gz FBRAEPMJUCTCPU-KEYYUXOJSA-N 1 1 348.447 3.170 10 5 EGBEMO O=C(CC[N@H+]1CCC[C@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000116293186 152056053 /nfs/dbraw/zinc/05/60/53/152056053.db2.gz WOPODPANTNVEBB-HNNXBMFYSA-N 1 1 329.356 3.354 10 5 EGBEMO COc1cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000305820067 154131872 /nfs/dbraw/zinc/13/18/72/154131872.db2.gz KZZMGRBFGFKIOS-MRXNPFEDSA-N 1 1 330.384 3.159 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341051164 155129732 /nfs/dbraw/zinc/12/97/32/155129732.db2.gz ZPYRCAIDTNLJMA-BETUJISGSA-N 1 1 345.399 3.334 10 5 EGBEMO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367493 165036578 /nfs/dbraw/zinc/03/65/78/165036578.db2.gz OMJNZGGIZYIFSW-MAUKXSAKSA-N 1 1 335.448 3.089 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000355114269 166110411 /nfs/dbraw/zinc/11/04/11/166110411.db2.gz OSHFDOBKXDMTDX-RISCZKNCSA-N 1 1 342.342 3.197 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000359079853 167060960 /nfs/dbraw/zinc/06/09/60/167060960.db2.gz CESCAMNWTMZAAL-MRXNPFEDSA-N 1 1 326.400 3.293 10 5 EGBEMO CC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@]2(CCOC2)O1 ZINC000366597000 287210556 /nfs/dbraw/zinc/21/05/56/287210556.db2.gz UAFUMCIIGOTQMO-QGPMSJSTSA-N 1 1 334.416 3.234 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000366643516 168127235 /nfs/dbraw/zinc/12/72/35/168127235.db2.gz QFVVYQKGDIVZSJ-WBVHZDCISA-N 1 1 333.432 3.051 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124039567 222368782 /nfs/dbraw/zinc/36/87/82/222368782.db2.gz WWWZFZROVNPJKI-GDBMZVCRSA-N 1 1 335.448 3.297 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178530793 265324133 /nfs/dbraw/zinc/32/41/33/265324133.db2.gz CPWFTRACEQSHAU-LBPRGKRZSA-N 1 1 340.807 3.412 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000178530793 265324138 /nfs/dbraw/zinc/32/41/38/265324138.db2.gz CPWFTRACEQSHAU-LBPRGKRZSA-N 1 1 340.807 3.412 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000376741665 274828843 /nfs/dbraw/zinc/82/88/43/274828843.db2.gz IXMUSGLGQIQYDQ-UHFFFAOYSA-N 1 1 337.383 3.489 10 5 EGBEMO COc1ccc(CN[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000185686441 275216027 /nfs/dbraw/zinc/21/60/27/275216027.db2.gz BKTBBJDWDNTAEA-AUUYWEPGSA-N 1 1 343.427 3.384 10 5 EGBEMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282022985 275596746 /nfs/dbraw/zinc/59/67/46/275596746.db2.gz WACFPQAAUBCJNO-CQSZACIVSA-N 1 1 341.415 3.215 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000289723539 276383642 /nfs/dbraw/zinc/38/36/42/276383642.db2.gz IJYQFVUXLLVAIY-GUYCJALGSA-N 1 1 348.447 3.351 10 5 EGBEMO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000340922276 290045982 /nfs/dbraw/zinc/04/59/82/290045982.db2.gz WMQHFVJDHXMBCG-YOEHRIQHSA-N 1 1 339.395 3.441 10 5 EGBEMO CC(C)c1ccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1[N+](=O)[O-] ZINC000414562808 309089519 /nfs/dbraw/zinc/08/95/19/309089519.db2.gz VOQKFQRINQGMBC-HNNXBMFYSA-N 1 1 333.432 3.207 10 5 EGBEMO CCc1ccc(C[NH+]2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)s1 ZINC000301467852 308701398 /nfs/dbraw/zinc/70/13/98/308701398.db2.gz YMFRBVBFBYFNER-UHFFFAOYSA-N 1 1 346.456 3.244 10 5 EGBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449429886 310061343 /nfs/dbraw/zinc/06/13/43/310061343.db2.gz VIEPXGVAWRRBMV-CZUORRHYSA-N 1 1 347.440 3.311 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(F)c1 ZINC000451352325 310173624 /nfs/dbraw/zinc/17/36/24/310173624.db2.gz KQZKXTVATXFJFR-CSMYWGQOSA-N 1 1 340.370 3.389 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(F)c1 ZINC000451352325 310173625 /nfs/dbraw/zinc/17/36/25/310173625.db2.gz KQZKXTVATXFJFR-CSMYWGQOSA-N 1 1 340.370 3.389 10 5 EGBEMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451357325 310173952 /nfs/dbraw/zinc/17/39/52/310173952.db2.gz YPXVPFPWLRFQER-UXLLHSPISA-N 1 1 334.416 3.119 10 5 EGBEMO CC[N@@H+](CCNc1nc(C)cc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000491676406 311187328 /nfs/dbraw/zinc/18/73/28/311187328.db2.gz QCTMNNNIMWWYOF-UHFFFAOYSA-N 1 1 334.342 3.293 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000511353601 312158687 /nfs/dbraw/zinc/15/86/87/312158687.db2.gz NRTCJPIFGKWJPS-UHFFFAOYSA-N 1 1 333.432 3.288 10 5 EGBEMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cscn1 ZINC000571418291 317197391 /nfs/dbraw/zinc/19/73/91/317197391.db2.gz JXHJXKCBCMOKIP-QWRGUYRKSA-N 1 1 334.401 3.119 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000580320818 325234576 /nfs/dbraw/zinc/23/45/76/325234576.db2.gz ZNWJKHCNGXPRHE-UHFFFAOYSA-N 1 1 341.415 3.215 10 5 EGBEMO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000245451033 455304068 /nfs/dbraw/zinc/30/40/68/455304068.db2.gz PDFWYICYZGVEGC-BLLLJJGKSA-N 1 1 343.383 3.260 10 5 EGBEMO C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000245451033 455304070 /nfs/dbraw/zinc/30/40/70/455304070.db2.gz PDFWYICYZGVEGC-BLLLJJGKSA-N 1 1 343.383 3.260 10 5 EGBEMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000025417453 453770542 /nfs/dbraw/zinc/77/05/42/453770542.db2.gz ZUMWBYLUIZEVNV-AWEZNQCLSA-N 1 1 327.384 3.362 10 5 EGBEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000025417453 453770544 /nfs/dbraw/zinc/77/05/44/453770544.db2.gz ZUMWBYLUIZEVNV-AWEZNQCLSA-N 1 1 327.384 3.362 10 5 EGBEMO O=[N+]([O-])c1c(F)cccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000057128406 454104392 /nfs/dbraw/zinc/10/43/92/454104392.db2.gz JLGKBYIRVFUMFX-UHFFFAOYSA-N 1 1 345.374 3.178 10 5 EGBEMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000131457993 454256173 /nfs/dbraw/zinc/25/61/73/454256173.db2.gz WLNVKTCPZNSLQM-HNNXBMFYSA-N 1 1 329.400 3.066 10 5 EGBEMO C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000078689394 454300620 /nfs/dbraw/zinc/30/06/20/454300620.db2.gz ZFJPHCHBJMKRIF-HNNXBMFYSA-N 1 1 326.400 3.091 10 5 EGBEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511733 454313879 /nfs/dbraw/zinc/31/38/79/454313879.db2.gz NNMSMVMAFSYQGG-GFCCVEGCSA-N 1 1 335.791 3.103 10 5 EGBEMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000060877179 454318210 /nfs/dbraw/zinc/31/82/10/454318210.db2.gz RKBNDVARFYXFOC-INIZCTEOSA-N 1 1 345.443 3.385 10 5 EGBEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000176185733 454709216 /nfs/dbraw/zinc/70/92/16/454709216.db2.gz 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325.796 3.294 10 5 EGBEMO COc1cc(N(C)CCCn2cc[nH+]c2C)c(Cl)cc1[N+](=O)[O-] ZINC000596168614 459545676 /nfs/dbraw/zinc/54/56/76/459545676.db2.gz AXJVLEDWMRBZMY-UHFFFAOYSA-N 1 1 338.795 3.288 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000592199222 459548097 /nfs/dbraw/zinc/54/80/97/459548097.db2.gz YQUIAHKFMZMPPR-HNNXBMFYSA-N 1 1 331.416 3.496 10 5 EGBEMO C[N@H+]1C[C@@H](CNCc2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000592376345 459584197 /nfs/dbraw/zinc/58/41/97/459584197.db2.gz AJWPFBIYBBXDSG-CVEARBPZSA-N 1 1 331.441 3.091 10 5 EGBEMO CC(C)[C@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CC=CC2 ZINC000592446641 459601125 /nfs/dbraw/zinc/60/11/25/459601125.db2.gz KYYXLKHYBYEPIV-FUHWJXTLSA-N 1 1 346.427 3.011 10 5 EGBEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592802367 459693393 /nfs/dbraw/zinc/69/33/93/459693393.db2.gz YLIMUDHPDAKPLZ-ZDUSSCGKSA-N 1 1 344.415 3.356 10 5 EGBEMO CCC[C@@H](C)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000501033451 459706815 /nfs/dbraw/zinc/70/68/15/459706815.db2.gz DSNQLPPTHMGPFS-CYBMUJFWSA-N 1 1 331.420 3.172 10 5 EGBEMO CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000596836792 459774816 /nfs/dbraw/zinc/77/48/16/459774816.db2.gz NPQYPYQCTMBDPR-CQSZACIVSA-N 1 1 334.420 3.160 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000596867119 459782381 /nfs/dbraw/zinc/78/23/81/459782381.db2.gz QADJLTYJDWRMMY-UHFFFAOYSA-N 1 1 336.436 3.454 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000596913410 459794188 /nfs/dbraw/zinc/79/41/88/459794188.db2.gz XKIKMJRDEJDHTH-AWEZNQCLSA-N 1 1 334.420 3.152 10 5 EGBEMO Cn1ncc(C2CCC2)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000597127808 459843467 /nfs/dbraw/zinc/84/34/67/459843467.db2.gz GOZGNDCRJZYSKB-UHFFFAOYSA-N 1 1 328.416 3.270 10 5 EGBEMO CC[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602118454 459846418 /nfs/dbraw/zinc/84/64/18/459846418.db2.gz RKCSGFHHKHPMHV-OAHLLOKOSA-N 1 1 330.388 3.182 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)o1 ZINC000597231273 459885245 /nfs/dbraw/zinc/88/52/45/459885245.db2.gz PCMUBIDWQZLXLT-UONOGXRCSA-N 1 1 328.368 3.323 10 5 EGBEMO Cn1c2ccccc2cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1=O ZINC000593962214 460028899 /nfs/dbraw/zinc/02/88/99/460028899.db2.gz QIQQBKZTGCBUKC-UHFFFAOYSA-N 1 1 349.390 3.005 10 5 EGBEMO Cn1c2ccccc2cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1=O ZINC000593962214 460028907 /nfs/dbraw/zinc/02/89/07/460028907.db2.gz QIQQBKZTGCBUKC-UHFFFAOYSA-N 1 1 349.390 3.005 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000589286296 460067242 /nfs/dbraw/zinc/06/72/42/460067242.db2.gz QTUDIQNGUCVOFD-UHFFFAOYSA-N 1 1 331.416 3.354 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597856866 460082725 /nfs/dbraw/zinc/08/27/25/460082725.db2.gz BWJAOWZYOCNSDH-ZDUSSCGKSA-N 1 1 347.440 3.412 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597856865 460082741 /nfs/dbraw/zinc/08/27/41/460082741.db2.gz BWJAOWZYOCNSDH-CYBMUJFWSA-N 1 1 347.440 3.412 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597857595 460082809 /nfs/dbraw/zinc/08/28/09/460082809.db2.gz GHZKWXQEWMJCSX-WBVHZDCISA-N 1 1 347.459 3.153 10 5 EGBEMO CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599156401 460181273 /nfs/dbraw/zinc/18/12/73/460181273.db2.gz BNZCBJXRAGQLCD-WMLDXEAASA-N 1 1 348.447 3.077 10 5 EGBEMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599790695 460334539 /nfs/dbraw/zinc/33/45/39/460334539.db2.gz IVVBHPBEIPEZTM-OAHLLOKOSA-N 1 1 346.431 3.350 10 5 EGBEMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183310090 527931790 /nfs/dbraw/zinc/93/17/90/527931790.db2.gz VKJHDISQCPSOJT-HNNXBMFYSA-N 1 1 333.432 3.032 10 5 EGBEMO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043405 1296692230 /nfs/dbraw/zinc/69/22/30/1296692230.db2.gz HWBQNRGBKATXIG-GXTWGEPZSA-N 1 1 349.406 3.176 10 5 EGBEMO O=[N+]([O-])c1ccnc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000311239694 1297106014 /nfs/dbraw/zinc/10/60/14/1297106014.db2.gz YKPBFLUDHNPTGW-KBAYOESNSA-N 1 1 338.411 3.312 10 5 EGBEMO O=[N+]([O-])c1ccnc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000311239692 1297107030 /nfs/dbraw/zinc/10/70/30/1297107030.db2.gz YKPBFLUDHNPTGW-CGTJXYLNSA-N 1 1 338.411 3.312 10 5 EGBEMO Cn1cc(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])n1 ZINC000877141387 1299178759 /nfs/dbraw/zinc/17/87/59/1299178759.db2.gz WAIXUEZVLFMRTJ-UHFFFAOYSA-N 1 1 337.383 3.099 10 5 EGBEMO Cn1cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])n1 ZINC000877141387 1299178765 /nfs/dbraw/zinc/17/87/65/1299178765.db2.gz WAIXUEZVLFMRTJ-UHFFFAOYSA-N 1 1 337.383 3.099 10 5 EGBEMO COC(=O)c1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]c1C(C)C ZINC000894188191 1306268036 /nfs/dbraw/zinc/26/80/36/1306268036.db2.gz SAUOUBLIWHHBRF-UHFFFAOYSA-N 1 1 331.372 3.123 10 5 EGBEMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859508374 1329003012 /nfs/dbraw/zinc/00/30/12/1329003012.db2.gz WPHIMHDTTFKPEJ-GOSISDBHSA-N 1 1 341.411 3.160 10 5 EGBEMO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000860054005 1329136034 /nfs/dbraw/zinc/13/60/34/1329136034.db2.gz FNEPSUKEBTXDNI-QWRGUYRKSA-N 1 1 334.401 3.038 10 5 EGBEMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000861952000 1329452627 /nfs/dbraw/zinc/45/26/27/1329452627.db2.gz AYAVXBHMIZGBAT-AWEZNQCLSA-N 1 1 341.411 3.210 10 5 EGBEMO COc1cc(F)cc(OC)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787121 1329738261 /nfs/dbraw/zinc/73/82/61/1329738261.db2.gz IGRKQRKFHRAMEQ-UHFFFAOYSA-N 1 1 334.347 3.349 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001185555079 1387746572 /nfs/dbraw/zinc/74/65/72/1387746572.db2.gz HLDWQXLNXWFPSV-OAHLLOKOSA-N 1 1 347.415 3.058 10 5 EGBEMO C[C@@H](c1ccccc1)[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC001192380139 1367768582 /nfs/dbraw/zinc/76/85/82/1367768582.db2.gz KPMBNXCNTMKMJE-HNNXBMFYSA-N 1 1 330.384 3.029 10 5 EGBEMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197324124 1368787407 /nfs/dbraw/zinc/78/74/07/1368787407.db2.gz AOYZXNRPICQYMQ-AWEZNQCLSA-N 1 1 348.321 3.017 10 5 EGBEMO Cc1c(C[N@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001197681474 1368872594 /nfs/dbraw/zinc/87/25/94/1368872594.db2.gz JOSMDIYIMLGFCA-AZUAARDMSA-N 1 1 338.407 3.303 10 5 EGBEMO CN(C)CC[N@@H+](C)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001186633301 1387991592 /nfs/dbraw/zinc/99/15/92/1387991592.db2.gz PYLXQRAJQXDQMQ-UHFFFAOYSA-N 1 1 349.262 3.197 10 5 EGBEMO CN(CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl)CC[NH+](C)C ZINC001186633301 1387991593 /nfs/dbraw/zinc/99/15/93/1387991593.db2.gz PYLXQRAJQXDQMQ-UHFFFAOYSA-N 1 1 349.262 3.197 10 5 EGBEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001119839468 1371412246 /nfs/dbraw/zinc/41/22/46/1371412246.db2.gz ZHNJYMVGOIRNDY-NXEZZACHSA-N 1 1 343.221 3.091 10 5 EGBEMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC001127595163 1373144803 /nfs/dbraw/zinc/14/48/03/1373144803.db2.gz OWHHFSLATMFJRG-NWDGAFQWSA-N 1 1 339.823 3.111 10 5 EGBEMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)cc1[N+](=O)[O-] ZINC001287941743 1381431422 /nfs/dbraw/zinc/43/14/22/1381431422.db2.gz BTNKVSHTUDTZBU-QGZVFWFLSA-N 1 1 345.443 3.430 10 5 EGBEMO Cc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC001306922422 1383921101 /nfs/dbraw/zinc/92/11/01/1383921101.db2.gz NFLZZVFEWDJXRI-QWRGUYRKSA-N 1 1 327.450 3.264 10 5 EGBEMO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001307208176 1383956711 /nfs/dbraw/zinc/95/67/11/1383956711.db2.gz GWMLMXZEHQNKNI-HOCLYGCPSA-N 1 1 344.440 3.135 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC001307950877 1384062171 /nfs/dbraw/zinc/06/21/71/1384062171.db2.gz AADFCKUAALLFFC-DLBZAZTESA-N 1 1 348.443 3.379 10 5 EGBEMO Cc1cccc(C2=CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC2)c1C ZINC001176855735 1385725196 /nfs/dbraw/zinc/72/51/96/1385725196.db2.gz HLIRDPJDBQUQFI-UHFFFAOYSA-N 1 1 326.400 3.197 10 5 EGBEMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CCC1 ZINC001320028823 1386462015 /nfs/dbraw/zinc/46/20/15/1386462015.db2.gz DECDINGPWKEXRS-UHFFFAOYSA-N 1 1 347.459 3.311 10 5 EGBEMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C1CCC1 ZINC001320028823 1386462017 /nfs/dbraw/zinc/46/20/17/1386462017.db2.gz DECDINGPWKEXRS-UHFFFAOYSA-N 1 1 347.459 3.311 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001330320863 1389387661 /nfs/dbraw/zinc/38/76/61/1389387661.db2.gz XKRUIOISVKKPBE-ATGSNQNLSA-N 1 1 348.353 3.051 10 5 EGBEMO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001480944299 1393039291 /nfs/dbraw/zinc/03/92/91/1393039291.db2.gz AUWYLFFVBFKAHC-UHFFFAOYSA-N 1 1 347.440 3.135 10 5 EGBEMO CC(C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)=C1CCCC1 ZINC001494540212 1396462401 /nfs/dbraw/zinc/46/24/01/1396462401.db2.gz CEMHVBYOFVULGT-UHFFFAOYSA-N 1 1 343.427 3.033 10 5 EGBEMO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001690992745 1404910564 /nfs/dbraw/zinc/91/05/64/1404910564.db2.gz XJCOTLMUQAZIEX-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO Cc1ccc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001690992745 1404910569 /nfs/dbraw/zinc/91/05/69/1404910569.db2.gz XJCOTLMUQAZIEX-UHFFFAOYSA-N 1 1 341.411 3.073 10 5 EGBEMO C=C/C(C)=C/CC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001732589721 1428810647 /nfs/dbraw/zinc/81/06/47/1428810647.db2.gz PFWRACRBHXAWBI-GIDUJCDVSA-N 1 1 331.416 3.007 10 5 EGBEMO CCCCC1(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001713917326 1418711702 /nfs/dbraw/zinc/71/17/02/1418711702.db2.gz DXGDJXIKFGCQBG-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO O=C(C=C1CCCCC1)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001714962018 1419701244 /nfs/dbraw/zinc/70/12/44/1419701244.db2.gz PDMVXVXPQRLBEW-UHFFFAOYSA-N 1 1 343.427 3.033 10 5 EGBEMO CCC(C)(CC)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001733263194 1429419514 /nfs/dbraw/zinc/41/95/14/1429419514.db2.gz DTEPIIUSZIGVBB-UHFFFAOYSA-N 1 1 339.461 3.221 10 5 EGBEMO CC/C=C(/C)C(=O)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001731872791 1428132117 /nfs/dbraw/zinc/13/21/17/1428132117.db2.gz UYXXRUUGFGCMOS-RZNTYIFUSA-N 1 1 331.416 3.032 10 5 EGBEMO O=[N+]([O-])c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)cc1OC(F)F ZINC000266441141 248302884 /nfs/dbraw/zinc/30/28/84/248302884.db2.gz WEZRAIAIBQVGKD-UHFFFAOYSA-N 1 1 338.314 3.303 10 5 EGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000106206369 143933838 /nfs/dbraw/zinc/93/38/38/143933838.db2.gz UKDZKEYNDNYRSD-KRWDZBQOSA-N 1 1 344.415 3.161 10 5 EGBEMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337455410 154360811 /nfs/dbraw/zinc/36/08/11/154360811.db2.gz HKJGKQAZEDLUCO-WDEREUQCSA-N 1 1 345.321 3.196 10 5 EGBEMO CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCc2cccnc21 ZINC000126939145 162318558 /nfs/dbraw/zinc/31/85/58/162318558.db2.gz IHGTVQOFEWKOHB-MRXNPFEDSA-N 1 1 343.431 3.222 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249562106 163063716 /nfs/dbraw/zinc/06/37/16/163063716.db2.gz LXAYCVBWXJCKJT-QWHCGFSZSA-N 1 1 336.388 3.003 10 5 EGBEMO COc1cc(C[N@@H+](C)CCN(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352407249 165384806 /nfs/dbraw/zinc/38/48/06/165384806.db2.gz TWKRJTYXODBHON-UHFFFAOYSA-N 1 1 329.400 3.172 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359553027 167191110 /nfs/dbraw/zinc/19/11/10/167191110.db2.gz GXMWHPZWIQVOIK-ACJLOTCBSA-N 1 1 331.416 3.354 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359557216 167191884 /nfs/dbraw/zinc/19/18/84/167191884.db2.gz MYMHYWAPLJIPQV-UGSOOPFHSA-N 1 1 347.415 3.054 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359557216 167191886 /nfs/dbraw/zinc/19/18/86/167191886.db2.gz MYMHYWAPLJIPQV-UGSOOPFHSA-N 1 1 347.415 3.054 10 5 EGBEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000171649285 227198028 /nfs/dbraw/zinc/19/80/28/227198028.db2.gz QIVSUJOMISUCEM-KRWDZBQOSA-N 1 1 340.427 3.275 10 5 EGBEMO COc1ccc(C[N@H+]2CCc3cccc(OC)c3CC2)cc1[N+](=O)[O-] ZINC000193714838 266056177 /nfs/dbraw/zinc/05/61/77/266056177.db2.gz SJSQBFWWHNJDCV-UHFFFAOYSA-N 1 1 342.395 3.213 10 5 EGBEMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000178926298 275035478 /nfs/dbraw/zinc/03/54/78/275035478.db2.gz ODLCHTJUHVJOLZ-UHFFFAOYSA-N 1 1 343.349 3.284 10 5 EGBEMO CC(C)c1ccc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000189490348 278023083 /nfs/dbraw/zinc/02/30/83/278023083.db2.gz GASMVIKZIDVODW-UHFFFAOYSA-N 1 1 331.416 3.029 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000359098722 301203864 /nfs/dbraw/zinc/20/38/64/301203864.db2.gz BADMJGYZMFGREC-INIZCTEOSA-N 1 1 326.400 3.100 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000359098722 301203869 /nfs/dbraw/zinc/20/38/69/301203869.db2.gz BADMJGYZMFGREC-INIZCTEOSA-N 1 1 326.400 3.100 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc2cncn2c1)C1CC1 ZINC000414177180 309064949 /nfs/dbraw/zinc/06/49/49/309064949.db2.gz IBOADKFDEQIERG-SFHVURJKSA-N 1 1 336.395 3.353 10 5 EGBEMO O=[N+]([O-])c1cnc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000413290059 309025397 /nfs/dbraw/zinc/02/53/97/309025397.db2.gz ZJOXYPLYVQMNFA-GFCCVEGCSA-N 1 1 345.378 3.046 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]cnc3C1)CCCC2 ZINC000417353844 309202655 /nfs/dbraw/zinc/20/26/55/309202655.db2.gz YFUXBIDDUWMXHH-XJKSGUPXSA-N 1 1 326.400 3.233 10 5 EGBEMO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]cnc3C1)CCCC2 ZINC000417353841 309202706 /nfs/dbraw/zinc/20/27/06/309202706.db2.gz YFUXBIDDUWMXHH-BBRMVZONSA-N 1 1 326.400 3.233 10 5 EGBEMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430217216 309601992 /nfs/dbraw/zinc/60/19/92/309601992.db2.gz JDYUJMGKCOLFLI-GFCCVEGCSA-N 1 1 346.383 3.471 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257051 310168186 /nfs/dbraw/zinc/16/81/86/310168186.db2.gz FWTMDLBQVAOYKV-ZMYBRWDISA-N 1 1 344.386 3.456 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257051 310168187 /nfs/dbraw/zinc/16/81/87/310168187.db2.gz FWTMDLBQVAOYKV-ZMYBRWDISA-N 1 1 344.386 3.456 10 5 EGBEMO Cc1cc[nH+]c(N2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)c1 ZINC000488078965 311050191 /nfs/dbraw/zinc/05/01/91/311050191.db2.gz JOWBVSKPZMVLKM-UHFFFAOYSA-N 1 1 349.394 3.173 10 5 EGBEMO CC(C)([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000492395330 311245841 /nfs/dbraw/zinc/24/58/41/311245841.db2.gz HDLDKDQWTCVTIV-UHFFFAOYSA-N 1 1 342.321 3.379 10 5 EGBEMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000093298298 454700566 /nfs/dbraw/zinc/70/05/66/454700566.db2.gz QSKMHCQYVXWPQL-GFCCVEGCSA-N 1 1 326.418 3.068 10 5 EGBEMO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379686463 324241919 /nfs/dbraw/zinc/24/19/19/324241919.db2.gz PPCWAAQJPZCAPB-QGZVFWFLSA-N 1 1 340.427 3.187 10 5 EGBEMO Cc1ccc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000190449376 455320915 /nfs/dbraw/zinc/32/09/15/455320915.db2.gz UUIRVXDPWXUEOV-KRWDZBQOSA-N 1 1 340.427 3.257 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(F)cc1 ZINC000016632634 453617122 /nfs/dbraw/zinc/61/71/22/453617122.db2.gz PQCVIZOJDBOHEY-GFCCVEGCSA-N 1 1 331.347 3.193 10 5 EGBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000016632634 453617126 /nfs/dbraw/zinc/61/71/26/453617126.db2.gz PQCVIZOJDBOHEY-GFCCVEGCSA-N 1 1 331.347 3.193 10 5 EGBEMO Cc1sc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000044582287 454108216 /nfs/dbraw/zinc/10/82/16/454108216.db2.gz XDSFQIXDAMGBIX-TXEJJXNPSA-N 1 1 339.461 3.063 10 5 EGBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2CCc2ccccc2)n1 ZINC000090010588 454262078 /nfs/dbraw/zinc/26/20/78/454262078.db2.gz JYAWJIWAGLLSLT-KRWDZBQOSA-N 1 1 328.416 3.279 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000120371537 454293120 /nfs/dbraw/zinc/29/31/20/454293120.db2.gz IITXREHZIAVSSW-CJNGLKHVSA-N 1 1 334.420 3.097 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000120371193 454293199 /nfs/dbraw/zinc/29/31/99/454293199.db2.gz QGDLOKDGTJVWBO-UKRRQHHQSA-N 1 1 334.420 3.097 10 5 EGBEMO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)cc1[N+](=O)[O-] ZINC000090530814 454317583 /nfs/dbraw/zinc/31/75/83/454317583.db2.gz NAXOAVBKFXZNOB-DGCLKSJQSA-N 1 1 332.404 3.307 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072897300 454360524 /nfs/dbraw/zinc/36/05/24/454360524.db2.gz PEDYIMAJLSEYIO-OLZOCXBDSA-N 1 1 335.404 3.052 10 5 EGBEMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000072897300 454360528 /nfs/dbraw/zinc/36/05/28/454360528.db2.gz PEDYIMAJLSEYIO-OLZOCXBDSA-N 1 1 335.404 3.052 10 5 EGBEMO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216557 454685577 /nfs/dbraw/zinc/68/55/77/454685577.db2.gz LXUKRIVQKNBRHV-MRXNPFEDSA-N 1 1 344.415 3.199 10 5 EGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000106216557 454685582 /nfs/dbraw/zinc/68/55/82/454685582.db2.gz LXUKRIVQKNBRHV-MRXNPFEDSA-N 1 1 344.415 3.199 10 5 EGBEMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000093298298 454700564 /nfs/dbraw/zinc/70/05/64/454700564.db2.gz QSKMHCQYVXWPQL-GFCCVEGCSA-N 1 1 326.418 3.068 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000162792420 454800811 /nfs/dbraw/zinc/80/08/11/454800811.db2.gz DGILXTQQVOZZRI-ZBFHGGJFSA-N 1 1 346.431 3.382 10 5 EGBEMO CC(C)COC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177017933 454812107 /nfs/dbraw/zinc/81/21/07/454812107.db2.gz FHORGUOLEVKKHK-UHFFFAOYSA-N 1 1 333.388 3.373 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000127381203 454958964 /nfs/dbraw/zinc/95/89/64/454958964.db2.gz ORWYWWWWOBOTSW-RISCZKNCSA-N 1 1 339.823 3.051 10 5 EGBEMO Cc1cnc(CC[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000157348428 455186637 /nfs/dbraw/zinc/18/66/37/455186637.db2.gz NQODUVIWKZSCGU-UHFFFAOYSA-N 1 1 332.385 3.175 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000245520015 455320623 /nfs/dbraw/zinc/32/06/23/455320623.db2.gz JEKLYDDWVRFDSC-WMZOPIPTSA-N 1 1 347.459 3.151 10 5 EGBEMO CC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000283858285 455604342 /nfs/dbraw/zinc/60/43/42/455604342.db2.gz UIZUYWYKLPYOHU-ZBFHGGJFSA-N 1 1 331.416 3.249 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000277887845 455697999 /nfs/dbraw/zinc/69/79/99/455697999.db2.gz CBCUVSDKLHPYRY-UHFFFAOYSA-N 1 1 339.823 3.113 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1cc(F)ccc1F ZINC000285445698 455847908 /nfs/dbraw/zinc/84/79/08/455847908.db2.gz XZDYRSIZSCAMFZ-KRWDZBQOSA-N 1 1 336.338 3.081 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285705520 455900074 /nfs/dbraw/zinc/90/00/74/455900074.db2.gz GTTYLBUZOHUUDK-UHFFFAOYSA-N 1 1 345.399 3.090 10 5 EGBEMO Cc1cccc(NC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)[nH+]1 ZINC000301295975 456083538 /nfs/dbraw/zinc/08/35/38/456083538.db2.gz XOMCYVITOLGHDZ-UHFFFAOYSA-N 1 1 347.806 3.428 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000301799142 456218326 /nfs/dbraw/zinc/21/83/26/456218326.db2.gz VAZDSIGJRXPHDO-BLLLJJGKSA-N 1 1 349.406 3.196 10 5 EGBEMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)C1 ZINC000340153071 456283849 /nfs/dbraw/zinc/28/38/49/456283849.db2.gz XLVYCJBAEKDNNM-OAHLLOKOSA-N 1 1 340.427 3.256 10 5 EGBEMO C[C@@H]1C[NH+](C(C)(C)CNc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302853638 456416774 /nfs/dbraw/zinc/41/67/74/456416774.db2.gz JWWYAOIXJYPZGV-VXGBXAGGSA-N 1 1 325.384 3.034 10 5 EGBEMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310279702 456581714 /nfs/dbraw/zinc/58/17/14/456581714.db2.gz VZFFLROGKSNOCC-GOEBONIOSA-N 1 1 326.400 3.312 10 5 EGBEMO O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000310279219 456581950 /nfs/dbraw/zinc/58/19/50/456581950.db2.gz VRPUSMITKVTBDC-RRFJBIMHSA-N 1 1 344.440 3.374 10 5 EGBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000353286605 456612147 /nfs/dbraw/zinc/61/21/47/456612147.db2.gz MEMLTIJFAFFWEX-INIZCTEOSA-N 1 1 347.459 3.388 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000359974149 457179508 /nfs/dbraw/zinc/17/95/08/457179508.db2.gz NHVLVIHNQQKMLZ-GOSISDBHSA-N 1 1 330.359 3.136 10 5 EGBEMO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000339683973 457211462 /nfs/dbraw/zinc/21/14/62/457211462.db2.gz QNRVNXJHRMUPGH-GFCCVEGCSA-N 1 1 329.322 3.287 10 5 EGBEMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000425558893 457599591 /nfs/dbraw/zinc/59/95/91/457599591.db2.gz YGWHRSZRHLVMJS-GOSISDBHSA-N 1 1 346.427 3.385 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411284498 457849606 /nfs/dbraw/zinc/84/96/06/457849606.db2.gz SGHMQQDKZNTKQS-CYBMUJFWSA-N 1 1 335.404 3.197 10 5 EGBEMO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000411474240 457897487 /nfs/dbraw/zinc/89/74/87/457897487.db2.gz LNUHXOOOZMDGGL-CYBMUJFWSA-N 1 1 343.383 3.326 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375432258 457930195 /nfs/dbraw/zinc/93/01/95/457930195.db2.gz YJNCYOCUKFTASX-LBPRGKRZSA-N 1 1 348.790 3.498 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375432258 457930200 /nfs/dbraw/zinc/93/02/00/457930200.db2.gz YJNCYOCUKFTASX-LBPRGKRZSA-N 1 1 348.790 3.498 10 5 EGBEMO CC[N@H+]1C[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000438957668 458634113 /nfs/dbraw/zinc/63/41/13/458634113.db2.gz KCCLJCOXDCAALS-VXGBXAGGSA-N 1 1 339.823 3.111 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000462763920 458651407 /nfs/dbraw/zinc/65/14/07/458651407.db2.gz MUUUZEYNVZFRTR-NVXWUHKLSA-N 1 1 347.459 3.154 10 5 EGBEMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439965459 458771031 /nfs/dbraw/zinc/77/10/31/458771031.db2.gz PSXSOGMZCDMJME-NSHDSACASA-N 1 1 348.428 3.387 10 5 EGBEMO COC(=O)c1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000474773615 458900412 /nfs/dbraw/zinc/90/04/12/458900412.db2.gz JTIVKFICOYDCMO-CQSZACIVSA-N 1 1 349.431 3.080 10 5 EGBEMO Cc1ccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000594954336 459190351 /nfs/dbraw/zinc/19/03/51/459190351.db2.gz YPEGNQBSQGRUTD-UHFFFAOYSA-N 1 1 326.278 3.002 10 5 EGBEMO C[N@@H+]1CC[C@@H](NCc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000595477451 459316903 /nfs/dbraw/zinc/31/69/03/459316903.db2.gz SZFQQWMODPCUBF-AEFFLSMTSA-N 1 1 329.375 3.269 10 5 EGBEMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595756820 459427635 /nfs/dbraw/zinc/42/76/35/459427635.db2.gz XKHOLFGVDJWYNA-AWEZNQCLSA-N 1 1 337.395 3.303 10 5 EGBEMO C[C@]12COC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595761643 459430169 /nfs/dbraw/zinc/43/01/69/459430169.db2.gz YZCZZRCDDGJFTR-FZMZJTMJSA-N 1 1 330.306 3.082 10 5 EGBEMO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000595761643 459430172 /nfs/dbraw/zinc/43/01/72/459430172.db2.gz YZCZZRCDDGJFTR-FZMZJTMJSA-N 1 1 330.306 3.082 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595831584 459458686 /nfs/dbraw/zinc/45/86/86/459458686.db2.gz FZMUECPEXGIFES-OAHLLOKOSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595831584 459458690 /nfs/dbraw/zinc/45/86/90/459458690.db2.gz FZMUECPEXGIFES-OAHLLOKOSA-N 1 1 331.416 3.354 10 5 EGBEMO COc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596079756 459511040 /nfs/dbraw/zinc/51/10/40/459511040.db2.gz WYFPCWYQTXPJJQ-JTQLQIEISA-N 1 1 325.796 3.153 10 5 EGBEMO Cc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000542323666 459548044 /nfs/dbraw/zinc/54/80/44/459548044.db2.gz WXKRDLQPHVHLLG-MRXNPFEDSA-N 1 1 339.395 3.331 10 5 EGBEMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000542323666 459548048 /nfs/dbraw/zinc/54/80/48/459548048.db2.gz WXKRDLQPHVHLLG-MRXNPFEDSA-N 1 1 339.395 3.331 10 5 EGBEMO COc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000596231185 459568264 /nfs/dbraw/zinc/56/82/64/459568264.db2.gz HELXCGCCSGNTIO-FOSCPWQOSA-N 1 1 339.823 3.318 10 5 EGBEMO CC(C)[N@H+]1CCCC[C@H]1Cn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000596290881 459586966 /nfs/dbraw/zinc/58/69/66/459586966.db2.gz FYLWEMYOILQLCJ-INIZCTEOSA-N 1 1 329.400 3.173 10 5 EGBEMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597232062 459886623 /nfs/dbraw/zinc/88/66/23/459886623.db2.gz OQSJDFSXZRSDTL-MRXNPFEDSA-N 1 1 347.459 3.455 10 5 EGBEMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)OCCO2 ZINC000618613934 460085913 /nfs/dbraw/zinc/08/59/13/460085913.db2.gz GNEXIXCDTDNXON-JTQLQIEISA-N 1 1 346.305 3.140 10 5 EGBEMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1)OCCO2 ZINC000618613934 460085917 /nfs/dbraw/zinc/08/59/17/460085917.db2.gz GNEXIXCDTDNXON-JTQLQIEISA-N 1 1 346.305 3.140 10 5 EGBEMO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598041779 460151961 /nfs/dbraw/zinc/15/19/61/460151961.db2.gz MVCMPBRQLCGLBB-HNNXBMFYSA-N 1 1 347.459 3.449 10 5 EGBEMO CCOC(=O)CCC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000610995734 460275330 /nfs/dbraw/zinc/27/53/30/460275330.db2.gz CEEDHECPWMYNPE-UHFFFAOYSA-N 1 1 338.379 3.289 10 5 EGBEMO CC(C)([NH2+]Cc1cn2cccc(F)c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000611119915 460291959 /nfs/dbraw/zinc/29/19/59/460291959.db2.gz KSDNPZBEBGBAQB-UHFFFAOYSA-N 1 1 328.347 3.407 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]2CCC[C@@H]21 ZINC000599650142 460297695 /nfs/dbraw/zinc/29/76/95/460297695.db2.gz CUKYQTGJQOPOEU-INMHGKMJSA-N 1 1 332.400 3.067 10 5 EGBEMO C/C=C/C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599691026 460311927 /nfs/dbraw/zinc/31/19/27/460311927.db2.gz QEOAIBPUZDWRQS-BWPKMQGJSA-N 1 1 331.416 3.236 10 5 EGBEMO O=[N+]([O-])c1ccsc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000611290049 460330556 /nfs/dbraw/zinc/33/05/56/460330556.db2.gz ZRKLEQCHLJBEAT-UHFFFAOYSA-N 1 1 333.413 3.101 10 5 EGBEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619431655 460354937 /nfs/dbraw/zinc/35/49/37/460354937.db2.gz VHWGFKIKNKQGDD-MWLCHTKSSA-N 1 1 346.305 3.139 10 5 EGBEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619431655 460354943 /nfs/dbraw/zinc/35/49/43/460354943.db2.gz VHWGFKIKNKQGDD-MWLCHTKSSA-N 1 1 346.305 3.139 10 5 EGBEMO Cn1cc[nH+]c1C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000619696464 460417223 /nfs/dbraw/zinc/41/72/23/460417223.db2.gz QADMJXSRLZAQKM-LBPRGKRZSA-N 1 1 329.385 3.181 10 5 EGBEMO COC[C@@]1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600212539 460443967 /nfs/dbraw/zinc/44/39/67/460443967.db2.gz FVUWGFHCMZSEOP-GOSISDBHSA-N 1 1 346.383 3.092 10 5 EGBEMO COC[C@@]1(C)C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000600212539 460443974 /nfs/dbraw/zinc/44/39/74/460443974.db2.gz FVUWGFHCMZSEOP-GOSISDBHSA-N 1 1 346.383 3.092 10 5 EGBEMO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)Cc2ccccc21 ZINC000600214032 460444234 /nfs/dbraw/zinc/44/42/34/460444234.db2.gz CVYCEDWSPJZIFZ-GOSISDBHSA-N 1 1 340.379 3.176 10 5 EGBEMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)Cc2ccccc21 ZINC000600214032 460444238 /nfs/dbraw/zinc/44/42/38/460444238.db2.gz CVYCEDWSPJZIFZ-GOSISDBHSA-N 1 1 340.379 3.176 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600228929 460451314 /nfs/dbraw/zinc/45/13/14/460451314.db2.gz HPUGCABNKFIJJP-OAHLLOKOSA-N 1 1 331.416 3.040 10 5 EGBEMO C[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600231002 460452333 /nfs/dbraw/zinc/45/23/33/460452333.db2.gz XZSRHVGULRYDLY-KBXCAEBGSA-N 1 1 345.443 3.222 10 5 EGBEMO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@H+]1C ZINC000601614647 460847002 /nfs/dbraw/zinc/84/70/02/460847002.db2.gz ZFTRXVRKQBZGON-BPQIPLTHSA-N 1 1 345.443 3.031 10 5 EGBEMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000174451075 534095028 /nfs/dbraw/zinc/09/50/28/534095028.db2.gz MBTDPCCHPPNYIC-JQWIXIFHSA-N 1 1 340.811 3.195 10 5 EGBEMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000182997164 547088093 /nfs/dbraw/zinc/08/80/93/547088093.db2.gz LERVXWDPDIDDLR-QMMMGPOBSA-N 1 1 339.804 3.259 10 5 EGBEMO C[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2Cl)CC1 ZINC000735487169 575668525 /nfs/dbraw/zinc/66/85/25/575668525.db2.gz QZAWRFBNJLYFGD-UHFFFAOYSA-N 1 1 347.806 3.139 10 5 EGBEMO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871155893 1296246647 /nfs/dbraw/zinc/24/66/47/1296246647.db2.gz GPIDPSLMAPYMFZ-UHFFFAOYSA-N 1 1 333.432 3.275 10 5 EGBEMO CC(=O)NCc1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000872086841 1296725267 /nfs/dbraw/zinc/72/52/67/1296725267.db2.gz YELAVSTWLJTKOZ-GFCCVEGCSA-N 1 1 345.374 3.221 10 5 EGBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000882120574 1301838544 /nfs/dbraw/zinc/83/85/44/1301838544.db2.gz XMEQTCJXMXWNCL-GDBMZVCRSA-N 1 1 343.427 3.251 10 5 EGBEMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858559580 1328795567 /nfs/dbraw/zinc/79/55/67/1328795567.db2.gz NCMKJKVTXHIDGJ-LSDHHAIUSA-N 1 1 339.395 3.105 10 5 EGBEMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[N@H+]1C ZINC000859560479 1329017611 /nfs/dbraw/zinc/01/76/11/1329017611.db2.gz HKKSXCWAXTZUOK-DZGCQCFKSA-N 1 1 341.411 3.303 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000863294607 1329544231 /nfs/dbraw/zinc/54/42/31/1329544231.db2.gz JYLCGRRYEHGMQP-CABCVRRESA-N 1 1 344.440 3.386 10 5 EGBEMO Cc1cc(C)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)n1 ZINC001190331996 1367229879 /nfs/dbraw/zinc/22/98/79/1367229879.db2.gz NCIBQKPELLUCHV-UHFFFAOYSA-N 1 1 340.427 3.237 10 5 EGBEMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC001191497342 1367514312 /nfs/dbraw/zinc/51/43/12/1367514312.db2.gz TYUXSTLXHNUYQZ-INIZCTEOSA-N 1 1 342.395 3.429 10 5 EGBEMO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC001195111498 1368380102 /nfs/dbraw/zinc/38/01/02/1368380102.db2.gz DACXPIIBNSPDKS-INIZCTEOSA-N 1 1 325.412 3.301 10 5 EGBEMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195509395 1368447788 /nfs/dbraw/zinc/44/77/88/1368447788.db2.gz VQOOENRKPJXRRC-FZMZJTMJSA-N 1 1 337.807 3.451 10 5 EGBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001195639712 1368463384 /nfs/dbraw/zinc/46/33/84/1368463384.db2.gz WPAUGEMHTSTPDR-SJORKVTESA-N 1 1 348.443 3.379 10 5 EGBEMO Cc1cccc(C[C@]2(C)CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC001196594057 1368644746 /nfs/dbraw/zinc/64/47/46/1368644746.db2.gz HHEQFRJNDQGSIG-SFHVURJKSA-N 1 1 328.416 3.197 10 5 EGBEMO C[NH+](C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001124341069 1372693141 /nfs/dbraw/zinc/69/31/41/1372693141.db2.gz ZSCPAUHFFYWNJH-OAHLLOKOSA-N 1 1 333.775 3.490 10 5 EGBEMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC001189060928 1388449951 /nfs/dbraw/zinc/44/99/51/1388449951.db2.gz IWIQJXGHGCJMSN-GASCZTMLSA-N 1 1 328.416 3.436 10 5 EGBEMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398376 1383623082 /nfs/dbraw/zinc/62/30/82/1383623082.db2.gz ZIWOULNJGSMFNL-OAHLLOKOSA-N 1 1 331.416 3.137 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167398376 1383623087 /nfs/dbraw/zinc/62/30/87/1383623087.db2.gz ZIWOULNJGSMFNL-OAHLLOKOSA-N 1 1 331.416 3.137 10 5 EGBEMO CCOC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+](CC)C(C)C)cc1C ZINC001306956380 1383925535 /nfs/dbraw/zinc/92/55/35/1383925535.db2.gz DLISPVTXDJEYGL-UHFFFAOYSA-N 1 1 337.420 3.222 10 5 EGBEMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001307134396 1383943745 /nfs/dbraw/zinc/94/37/45/1383943745.db2.gz NHQXKCCOVNODQI-PLWJUESGSA-N 1 1 349.431 3.313 10 5 EGBEMO CN(CC[NH+]1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC001307149161 1383945579 /nfs/dbraw/zinc/94/55/79/1383945579.db2.gz AHYLLQWPJOEFCO-UHFFFAOYSA-N 1 1 342.237 3.279 10 5 EGBEMO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001307208177 1383956909 /nfs/dbraw/zinc/95/69/09/1383956909.db2.gz GWMLMXZEHQNKNI-ZBFHGGJFSA-N 1 1 344.440 3.135 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC001307962701 1384064254 /nfs/dbraw/zinc/06/42/54/1384064254.db2.gz NNACWVKJQOZOQJ-JTQLQIEISA-N 1 1 325.796 3.165 10 5 EGBEMO CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170424620 1384315228 /nfs/dbraw/zinc/31/52/28/1384315228.db2.gz NEEBOMFOXLOQFD-MRXNPFEDSA-N 1 1 347.459 3.327 10 5 EGBEMO CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170424620 1384315233 /nfs/dbraw/zinc/31/52/33/1384315233.db2.gz NEEBOMFOXLOQFD-MRXNPFEDSA-N 1 1 347.459 3.327 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1(C)CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001316840036 1384630799 /nfs/dbraw/zinc/63/07/99/1384630799.db2.gz VJLFZIMHQBWIQB-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC(C)N(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001486360860 1396192271 /nfs/dbraw/zinc/19/22/71/1396192271.db2.gz NOKOZKGHTJHJFV-UHFFFAOYSA-N 1 1 347.459 3.454 10 5 EGBEMO CC(C)N(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001486360860 1396192275 /nfs/dbraw/zinc/19/22/75/1396192275.db2.gz NOKOZKGHTJHJFV-UHFFFAOYSA-N 1 1 347.459 3.454 10 5 EGBEMO CC[N@@H+](CCNC(=O)c1cc(C)c(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC001691013941 1404928697 /nfs/dbraw/zinc/92/86/97/1404928697.db2.gz DRXVUIFRJVKXNR-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO O=C(CC1CCCC1)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001713553540 1418341573 /nfs/dbraw/zinc/34/15/73/1418341573.db2.gz YZBBPAUAARDTSB-UHFFFAOYSA-N 1 1 345.443 3.256 10 5 EGBEMO CC(C)c1ccoc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001714557270 1419284773 /nfs/dbraw/zinc/28/47/73/1419284773.db2.gz XWYLAXMVQCSVDO-UHFFFAOYSA-N 1 1 345.399 3.173 10 5 EGBEMO CC(C)c1ccoc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001714557270 1419284775 /nfs/dbraw/zinc/28/47/75/1419284775.db2.gz XWYLAXMVQCSVDO-UHFFFAOYSA-N 1 1 345.399 3.173 10 5 EGBEMO CCC[N@H+](CCNC(=O)c1occc1C)Cc1ccccc1[N+](=O)[O-] ZINC001714648314 1419424207 /nfs/dbraw/zinc/42/42/07/1419424207.db2.gz SJLUCIXAUXEXDJ-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1occc1C)Cc1ccccc1[N+](=O)[O-] ZINC001714648314 1419424210 /nfs/dbraw/zinc/42/42/10/1419424210.db2.gz SJLUCIXAUXEXDJ-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CCC[N@@H+](CCNC(=O)c1ccoc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001714648463 1419425396 /nfs/dbraw/zinc/42/53/96/1419425396.db2.gz UPJLMRCURIRUIB-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CC[N@@H+](CCCNC(=O)C=C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001731306130 1427247760 /nfs/dbraw/zinc/24/77/60/1427247760.db2.gz UOJQPLRDZOZING-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO C[N@H+](CCNC(=O)CC1=CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001731767557 1427875654 /nfs/dbraw/zinc/87/56/54/1427875654.db2.gz ZZVWDLSAEQWYRN-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO C[N@@H+](CCNC(=O)CC1=CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001731767557 1427875658 /nfs/dbraw/zinc/87/56/58/1427875658.db2.gz ZZVWDLSAEQWYRN-UHFFFAOYSA-N 1 1 331.416 3.033 10 5 EGBEMO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000173713028 231012736 /nfs/dbraw/zinc/01/27/36/231012736.db2.gz IIIOEUGBLPNJAC-UHFFFAOYSA-N 1 1 342.399 3.457 10 5 EGBEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000130851766 529761174 /nfs/dbraw/zinc/76/11/74/529761174.db2.gz ZZSJHLILCULAQC-HNNXBMFYSA-N 1 1 343.387 3.223 10 5 EGBEMO CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101914358 219172895 /nfs/dbraw/zinc/17/28/95/219172895.db2.gz FCIKIPVAWXQHSQ-LSDHHAIUSA-N 1 1 333.432 3.284 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000183373223 235032644 /nfs/dbraw/zinc/03/26/44/235032644.db2.gz FPDNSBUASOIBMS-QHCPKHFHSA-N 1 1 332.425 3.273 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000183373223 235032649 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CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1c(C)nn(C)c1C ZINC000122456369 152408384 /nfs/dbraw/zinc/40/83/84/152408384.db2.gz ZMQXQSSNNIDSDD-OAHLLOKOSA-N 1 1 332.404 3.195 10 5 EGBEMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000368864789 157310563 /nfs/dbraw/zinc/31/05/63/157310563.db2.gz BIHUSRWBDQLPEF-QGZVFWFLSA-N 1 1 345.399 3.033 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076483984 161723493 /nfs/dbraw/zinc/72/34/93/161723493.db2.gz JIBMCQITKGOEJH-IAQYHMDHSA-N 1 1 339.823 3.051 10 5 EGBEMO COc1ccccc1CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352423523 165394462 /nfs/dbraw/zinc/39/44/62/165394462.db2.gz BFIUJBTVJLVKLU-UHFFFAOYSA-N 1 1 330.384 3.287 10 5 EGBEMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277886831 267893151 /nfs/dbraw/zinc/89/31/51/267893151.db2.gz CZQFTNOLARPOBT-ZDUSSCGKSA-N 1 1 339.823 3.161 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278412145 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WNRGQZGYZGNWGM-UHFFFAOYSA-N 1 1 342.399 3.075 10 5 EGBEMO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000540398196 314378294 /nfs/dbraw/zinc/37/82/94/314378294.db2.gz OCZRDDDWFWZPGY-AWEZNQCLSA-N 1 1 348.447 3.220 10 5 EGBEMO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nccn1CC(F)(F)F ZINC000569018985 316855675 /nfs/dbraw/zinc/85/56/75/316855675.db2.gz GKTNMAQKSNZALV-GFCCVEGCSA-N 1 1 340.305 3.131 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOc1ccc(C)cc1 ZINC000016421902 453606304 /nfs/dbraw/zinc/60/63/04/453606304.db2.gz DWGKDTFXFRMKNA-UHFFFAOYSA-N 1 1 330.384 3.423 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOc1ccc(C)cc1 ZINC000016421902 453606306 /nfs/dbraw/zinc/60/63/06/453606306.db2.gz DWGKDTFXFRMKNA-UHFFFAOYSA-N 1 1 330.384 3.423 10 5 EGBEMO Cc1sc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000068085091 453996246 /nfs/dbraw/zinc/99/62/46/453996246.db2.gz POBXKOOKXLEZDA-LBPRGKRZSA-N 1 1 339.461 3.207 10 5 EGBEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046375490 454246539 /nfs/dbraw/zinc/24/65/39/454246539.db2.gz ABTGXLVOZDVRSW-LLVKDONJSA-N 1 1 340.811 3.244 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000120371694 454293222 /nfs/dbraw/zinc/29/32/22/454293222.db2.gz IITXREHZIAVSSW-CZUORRHYSA-N 1 1 334.420 3.097 10 5 EGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163129170 454825307 /nfs/dbraw/zinc/82/53/07/454825307.db2.gz PIWSVKGJSFBNGY-OAHLLOKOSA-N 1 1 343.387 3.105 10 5 EGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177140824 454827409 /nfs/dbraw/zinc/82/74/09/454827409.db2.gz QFIHJRFOXWGEBK-CYBMUJFWSA-N 1 1 348.790 3.058 10 5 EGBEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000193282565 455750509 /nfs/dbraw/zinc/75/05/09/455750509.db2.gz XJDUSDQBCQFURQ-CHWSQXEVSA-N 1 1 331.372 3.482 10 5 EGBEMO CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216162150 456028182 /nfs/dbraw/zinc/02/81/82/456028182.db2.gz GNIMWMJQZXQFBB-AWEZNQCLSA-N 1 1 327.384 3.444 10 5 EGBEMO C[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000270800791 456042630 /nfs/dbraw/zinc/04/26/30/456042630.db2.gz UGIUXMTYQHPJRH-UKRRQHHQSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000270800791 456042632 /nfs/dbraw/zinc/04/26/32/456042632.db2.gz UGIUXMTYQHPJRH-UKRRQHHQSA-N 1 1 334.326 3.125 10 5 EGBEMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352769467 456290531 /nfs/dbraw/zinc/29/05/31/456290531.db2.gz MQXWJKGDQQAJDC-KRWDZBQOSA-N 1 1 344.411 3.377 10 5 EGBEMO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000352783297 456303096 /nfs/dbraw/zinc/30/30/96/456303096.db2.gz JESIROPQXCHWLJ-DOTOQJQBSA-N 1 1 345.443 3.052 10 5 EGBEMO CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340274086 456355251 /nfs/dbraw/zinc/35/52/51/456355251.db2.gz ANUANRQTZYNQSD-SFHVURJKSA-N 1 1 325.412 3.301 10 5 EGBEMO O=[N+]([O-])c1cccnc1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000302622352 456365776 /nfs/dbraw/zinc/36/57/76/456365776.db2.gz DTMTUMLFZSVUDT-UHFFFAOYSA-N 1 1 332.791 3.113 10 5 EGBEMO O=[N+]([O-])c1cccnc1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000302622352 456365785 /nfs/dbraw/zinc/36/57/85/456365785.db2.gz DTMTUMLFZSVUDT-UHFFFAOYSA-N 1 1 332.791 3.113 10 5 EGBEMO CC[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343259952 456490594 /nfs/dbraw/zinc/49/05/94/456490594.db2.gz DACDETPLSOLOLQ-SFHVURJKSA-N 1 1 339.395 3.222 10 5 EGBEMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348226675 456549563 /nfs/dbraw/zinc/54/95/63/456549563.db2.gz IBHMTHZXEODMPT-GXFFZTMASA-N 1 1 345.321 3.196 10 5 EGBEMO Cn1cc(-c2cc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])on2)cn1 ZINC000292198217 456881553 /nfs/dbraw/zinc/88/15/53/456881553.db2.gz RZJVPPHAPZKMQV-UHFFFAOYSA-N 1 1 341.371 3.008 10 5 EGBEMO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000342306173 457227730 /nfs/dbraw/zinc/22/77/30/457227730.db2.gz FSQKAVDLQKLLST-MRXNPFEDSA-N 1 1 334.347 3.220 10 5 EGBEMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975191 457423904 /nfs/dbraw/zinc/42/39/04/457423904.db2.gz GYIKEXKZJVIZNE-RLFYNMQTSA-N 1 1 334.416 3.062 10 5 EGBEMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000373975191 457423908 /nfs/dbraw/zinc/42/39/08/457423908.db2.gz GYIKEXKZJVIZNE-RLFYNMQTSA-N 1 1 334.416 3.062 10 5 EGBEMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342722884 457479080 /nfs/dbraw/zinc/47/90/80/457479080.db2.gz DQWIVUFIZQYWDJ-GJZGRUSLSA-N 1 1 349.431 3.060 10 5 EGBEMO COc1ccc(OCC[N@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000444701845 457947529 /nfs/dbraw/zinc/94/75/29/457947529.db2.gz WWWCVODCRHIDAF-NSHDSACASA-N 1 1 348.321 3.257 10 5 EGBEMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC(C)(C)C1 ZINC000412030877 458054607 /nfs/dbraw/zinc/05/46/07/458054607.db2.gz FJPPXBDSCZKXAI-UHFFFAOYSA-N 1 1 335.404 3.052 10 5 EGBEMO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000427963410 458057559 /nfs/dbraw/zinc/05/75/59/458057559.db2.gz ISOPVGXTCNHZJA-CYBMUJFWSA-N 1 1 325.368 3.417 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000373333451 458463417 /nfs/dbraw/zinc/46/34/17/458463417.db2.gz LIADVSDOMSABPQ-GOOCMWNKSA-N 1 1 346.431 3.348 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464579911 458760588 /nfs/dbraw/zinc/76/05/88/458760588.db2.gz DKJRJKXUWPLONI-HNNXBMFYSA-N 1 1 334.416 3.191 10 5 EGBEMO COc1cc(C[NH2+]Cc2cccc(C)c2OC)c([N+](=O)[O-])cc1OC ZINC000594520253 459077932 /nfs/dbraw/zinc/07/79/32/459077932.db2.gz JHCYWFGEEBKQDS-UHFFFAOYSA-N 1 1 346.383 3.219 10 5 EGBEMO CC[C@@H]([NH2+]CCc1nc(C)c(C(C)=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000595422376 459295908 /nfs/dbraw/zinc/29/59/08/459295908.db2.gz WWDLPMZMVQTKNF-OAHLLOKOSA-N 1 1 330.388 3.112 10 5 EGBEMO C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000582539418 459381562 /nfs/dbraw/zinc/38/15/62/459381562.db2.gz SZGVMTJLYXWKQQ-ZNMIVQPWSA-N 1 1 333.432 3.077 10 5 EGBEMO COc1cccc([C@]2(C)CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)c1 ZINC000595770433 459433421 /nfs/dbraw/zinc/43/34/21/459433421.db2.gz VKUPRPKVUFTBGJ-QGZVFWFLSA-N 1 1 331.372 3.063 10 5 EGBEMO COc1cccc([C@]2(C)CC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)c1 ZINC000595770433 459433423 /nfs/dbraw/zinc/43/34/23/459433423.db2.gz VKUPRPKVUFTBGJ-QGZVFWFLSA-N 1 1 331.372 3.063 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCC1CC1)CC1CC1 ZINC000595871003 459468092 /nfs/dbraw/zinc/46/80/92/459468092.db2.gz JBTPPZVERKRIAU-UHFFFAOYSA-N 1 1 331.416 3.354 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000541618845 459474060 /nfs/dbraw/zinc/47/40/60/459474060.db2.gz PVPPHFFEAZJRBV-HIFRSBDPSA-N 1 1 326.824 3.477 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000541618845 459474066 /nfs/dbraw/zinc/47/40/66/459474066.db2.gz PVPPHFFEAZJRBV-HIFRSBDPSA-N 1 1 326.824 3.477 10 5 EGBEMO COc1ccccc1C1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000592144363 459536295 /nfs/dbraw/zinc/53/62/95/459536295.db2.gz HOSAOUDMDZJEDU-UHFFFAOYSA-N 1 1 328.368 3.391 10 5 EGBEMO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3cccc(F)c3F)CC2)c1 ZINC000544070664 459723990 /nfs/dbraw/zinc/72/39/90/459723990.db2.gz IGWXYCUTEZSACN-UHFFFAOYSA-N 1 1 347.365 3.238 10 5 EGBEMO COc1ccccc1[C@@H](C[N+](=O)[O-])[C@H]1CCCC=C1[NH+]1CCOCC1 ZINC000584653848 459778519 /nfs/dbraw/zinc/77/85/19/459778519.db2.gz JKWJLOFTSVQTOO-WBVHZDCISA-N 1 1 346.427 3.072 10 5 EGBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000593727034 459965026 /nfs/dbraw/zinc/96/50/26/459965026.db2.gz ASDNMJAKOMWSHR-QGZVFWFLSA-N 1 1 347.802 3.100 10 5 EGBEMO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000597630541 460012454 /nfs/dbraw/zinc/01/24/54/460012454.db2.gz DJNHCKQLTRQONS-LLVKDONJSA-N 1 1 342.399 3.359 10 5 EGBEMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c(Cl)c1 ZINC000598988831 460118665 /nfs/dbraw/zinc/11/86/65/460118665.db2.gz BYXQTVCHESAZTL-GFCCVEGCSA-N 1 1 348.712 3.338 10 5 EGBEMO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000602802652 460135311 /nfs/dbraw/zinc/13/53/11/460135311.db2.gz SLHXLVMVKJDKTP-QMMMGPOBSA-N 1 1 329.187 3.486 10 5 EGBEMO C[N@H+]1CCCC12CCN(c1ccc3cnccc3c1[N+](=O)[O-])CC2 ZINC000599062183 460146187 /nfs/dbraw/zinc/14/61/87/460146187.db2.gz KAMVINJDKIUYQK-UHFFFAOYSA-N 1 1 326.400 3.208 10 5 EGBEMO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000599103665 460162074 /nfs/dbraw/zinc/16/20/74/460162074.db2.gz XQTRYOICTWABBA-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000599103665 460162078 /nfs/dbraw/zinc/16/20/78/460162078.db2.gz XQTRYOICTWABBA-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179451 460302381 /nfs/dbraw/zinc/30/23/81/460302381.db2.gz CORXUFZLPKQOBT-KOLCDFICSA-N 1 1 338.314 3.293 10 5 EGBEMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179451 460302386 /nfs/dbraw/zinc/30/23/86/460302386.db2.gz CORXUFZLPKQOBT-KOLCDFICSA-N 1 1 338.314 3.293 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC4(CC4)CC3)o2)cc1 ZINC000599672923 460305933 /nfs/dbraw/zinc/30/59/33/460305933.db2.gz KABUTKGTSSAXFN-UHFFFAOYSA-N 1 1 328.372 3.411 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599772658 460331114 /nfs/dbraw/zinc/33/11/14/460331114.db2.gz CHMUWJXKCFKXGF-HNNXBMFYSA-N 1 1 346.431 3.350 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599787217 460333639 /nfs/dbraw/zinc/33/36/39/460333639.db2.gz QJHIFKIGZZTVFH-INIZCTEOSA-N 1 1 346.431 3.296 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000611517018 460384500 /nfs/dbraw/zinc/38/45/00/460384500.db2.gz BLYMBWHUJJFSJJ-HOCLYGCPSA-N 1 1 334.416 3.242 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000600229899 460449997 /nfs/dbraw/zinc/44/99/97/460449997.db2.gz WXLJCHJHXOASLI-OAHLLOKOSA-N 1 1 331.416 3.040 10 5 EGBEMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000600229939 460451460 /nfs/dbraw/zinc/45/14/60/460451460.db2.gz YFEXKZPHWXAVFB-MRXNPFEDSA-N 1 1 331.416 3.040 10 5 EGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601972711 460967621 /nfs/dbraw/zinc/96/76/21/460967621.db2.gz NLCULUPWMDFSCU-HMVFGEFZSA-N 1 1 326.343 3.354 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000191334721 527826106 /nfs/dbraw/zinc/82/61/06/527826106.db2.gz QLCWQNLGJMBRIG-ZBFHGGJFSA-N 1 1 348.447 3.406 10 5 EGBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000245572927 536166856 /nfs/dbraw/zinc/16/68/56/536166856.db2.gz CRSXDXBOQJHGQA-GJZGRUSLSA-N 1 1 346.431 3.302 10 5 EGBEMO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000743479671 576810041 /nfs/dbraw/zinc/81/00/41/576810041.db2.gz LFSPASNFGYRLLI-RHSMWYFYSA-N 1 1 339.395 3.359 10 5 EGBEMO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084983 1296726094 /nfs/dbraw/zinc/72/60/94/1296726094.db2.gz MCUASYXWACRXDR-LBPRGKRZSA-N 1 1 346.358 3.300 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC000872236974 1296837668 /nfs/dbraw/zinc/83/76/68/1296837668.db2.gz XZVVDFRPFWKQLR-RTBURBONSA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC000872236974 1296837686 /nfs/dbraw/zinc/83/76/86/1296837686.db2.gz XZVVDFRPFWKQLR-RTBURBONSA-N 1 1 347.459 3.015 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@@H]3CCCC3(F)F)C2)nc1 ZINC000878251857 1299865357 /nfs/dbraw/zinc/86/53/57/1299865357.db2.gz UVSDRQBLMSQTIZ-STQMWFEESA-N 1 1 340.374 3.302 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000895721637 1309489968 /nfs/dbraw/zinc/48/99/68/1309489968.db2.gz DURXVQFTWCYQDO-MRXNPFEDSA-N 1 1 348.443 3.082 10 5 EGBEMO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cc(N)cc[nH+]1 ZINC000925772237 1325293918 /nfs/dbraw/zinc/29/39/18/1325293918.db2.gz RBQFNHUSLXYCQR-CYBMUJFWSA-N 1 1 332.429 3.233 10 5 EGBEMO C/C=C\C[C@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339542 1329548382 /nfs/dbraw/zinc/54/83/82/1329548382.db2.gz DAZFWUVYKCSDAR-ZRMMWKCHSA-N 1 1 331.372 3.138 10 5 EGBEMO C/C=C\C[C@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000863339542 1329548383 /nfs/dbraw/zinc/54/83/83/1329548383.db2.gz DAZFWUVYKCSDAR-ZRMMWKCHSA-N 1 1 331.372 3.138 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001125082273 1372751693 /nfs/dbraw/zinc/75/16/93/1372751693.db2.gz KAUIMDPQRDQWDL-INIZCTEOSA-N 1 1 340.379 3.331 10 5 EGBEMO CCNc1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC001129295671 1373369542 /nfs/dbraw/zinc/36/95/42/1373369542.db2.gz SZLUUATXHTYOET-UHFFFAOYSA-N 1 1 339.355 3.235 10 5 EGBEMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001136733332 1377418857 /nfs/dbraw/zinc/41/88/57/1377418857.db2.gz UIFYVYGCSRTSKL-HNNXBMFYSA-N 1 1 333.432 3.206 10 5 EGBEMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC001295136796 1382552611 /nfs/dbraw/zinc/55/26/11/1382552611.db2.gz QNEIZWRXGQYCLJ-NVXWUHKLSA-N 1 1 333.432 3.284 10 5 EGBEMO COCC[N@H+]1CCC[C@H](Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001163545592 1383074542 /nfs/dbraw/zinc/07/45/42/1383074542.db2.gz RHUKIKXYDXXWIO-LBPRGKRZSA-N 1 1 347.337 3.136 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975172 1384067124 /nfs/dbraw/zinc/06/71/24/1384067124.db2.gz VCHBTFUJRMYVMX-VQTKUKTRSA-N 1 1 347.415 3.220 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001307975172 1384067131 /nfs/dbraw/zinc/06/71/31/1384067131.db2.gz VCHBTFUJRMYVMX-VQTKUKTRSA-N 1 1 347.415 3.220 10 5 EGBEMO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001307997786 1384071401 /nfs/dbraw/zinc/07/14/01/1384071401.db2.gz WBTZYOYLYKEVBP-MFKMUULPSA-N 1 1 343.221 3.357 10 5 EGBEMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001307997786 1384071405 /nfs/dbraw/zinc/07/14/05/1384071405.db2.gz WBTZYOYLYKEVBP-MFKMUULPSA-N 1 1 343.221 3.357 10 5 EGBEMO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001169626373 1384166510 /nfs/dbraw/zinc/16/65/10/1384166510.db2.gz BMSHNQXDDIKMJI-ZDUSSCGKSA-N 1 1 326.805 3.441 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3)CC2)c1 ZINC001176941158 1385749743 /nfs/dbraw/zinc/74/97/43/1385749743.db2.gz ZAFZCYQTXQKFJH-OALUTQOASA-N 1 1 342.395 3.092 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCCCC1 ZINC001482578205 1395094541 /nfs/dbraw/zinc/09/45/41/1395094541.db2.gz NGBFDAQJUJTFMP-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCCCC1 ZINC001482578205 1395094549 /nfs/dbraw/zinc/09/45/49/1395094549.db2.gz NGBFDAQJUJTFMP-UHFFFAOYSA-N 1 1 347.459 3.455 10 5 EGBEMO Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001698986821 1406770507 /nfs/dbraw/zinc/77/05/07/1406770507.db2.gz UYSAPWKQIOBOIU-UHFFFAOYSA-N 1 1 345.399 3.009 10 5 EGBEMO Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001698986821 1406770508 /nfs/dbraw/zinc/77/05/08/1406770508.db2.gz UYSAPWKQIOBOIU-UHFFFAOYSA-N 1 1 345.399 3.009 10 5 EGBEMO C[N@@H+](CCNC(=O)C1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001690930150 1404839259 /nfs/dbraw/zinc/83/92/59/1404839259.db2.gz OLZNNAKPWUNCHL-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC(C)C(C)(C)C(=O)NCCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001707380073 1417303408 /nfs/dbraw/zinc/30/34/08/1417303408.db2.gz IAOGTJDRNGFXCX-UHFFFAOYSA-N 1 1 341.477 3.277 10 5 EGBEMO CC(C)C(C)(C)C(=O)NCCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC001707380073 1417303412 /nfs/dbraw/zinc/30/34/12/1417303412.db2.gz IAOGTJDRNGFXCX-UHFFFAOYSA-N 1 1 341.477 3.277 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1coc(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001707447585 1417351491 /nfs/dbraw/zinc/35/14/91/1417351491.db2.gz OTWUVSLEPNKPNO-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CC[N@H+](CCNC(=O)C1(CC)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001713490586 1418189048 /nfs/dbraw/zinc/18/90/48/1418189048.db2.gz KEYQRSLFIQVNKA-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CC[N@@H+](CCNC(=O)C1(CC)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001713490586 1418189049 /nfs/dbraw/zinc/18/90/49/1418189049.db2.gz KEYQRSLFIQVNKA-UHFFFAOYSA-N 1 1 333.432 3.113 10 5 EGBEMO CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCC1 ZINC001724841203 1425190417 /nfs/dbraw/zinc/19/04/17/1425190417.db2.gz RMZOIVRMLDGENI-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO CC(C)COC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193786251 240306861 /nfs/dbraw/zinc/30/68/61/240306861.db2.gz JWVNWVFTACSBKV-UHFFFAOYSA-N 1 1 337.376 3.140 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261845080 296234468 /nfs/dbraw/zinc/23/44/68/296234468.db2.gz UWHHBGWLFAQJBM-YJLNNSPDSA-N 1 1 325.412 3.330 10 5 EGBEMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000092097102 218118052 /nfs/dbraw/zinc/11/80/52/218118052.db2.gz AEDPQXWTRXNXQP-OAHLLOKOSA-N 1 1 345.424 3.034 10 5 EGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153822761 224162788 /nfs/dbraw/zinc/16/27/88/224162788.db2.gz BRJCWIFTKDWADQ-OAHLLOKOSA-N 1 1 343.387 3.105 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CCc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000353451687 141298752 /nfs/dbraw/zinc/29/87/52/141298752.db2.gz WUKKEDHORBVONE-INIZCTEOSA-N 1 1 342.424 3.312 10 5 EGBEMO CCOc1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000372810332 157388448 /nfs/dbraw/zinc/38/84/48/157388448.db2.gz PYPMGNIPSBJOFA-OAHLLOKOSA-N 1 1 342.399 3.163 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248653524 163026249 /nfs/dbraw/zinc/02/62/49/163026249.db2.gz URUMJDPJMXVAFN-UKRRQHHQSA-N 1 1 334.420 3.062 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000343642135 164001081 /nfs/dbraw/zinc/00/10/81/164001081.db2.gz YMEGQVLOJICOKZ-UHFFFAOYSA-N 1 1 326.381 3.403 10 5 EGBEMO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000350367492 165036735 /nfs/dbraw/zinc/03/67/35/165036735.db2.gz OMJNZGGIZYIFSW-CRAIPNDOSA-N 1 1 335.448 3.089 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncccc1O ZINC000355283294 166153141 /nfs/dbraw/zinc/15/31/41/166153141.db2.gz QWCYKMNJVARGBB-ZFWWWQNUSA-N 1 1 327.384 3.196 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355739907 166293882 /nfs/dbraw/zinc/29/38/82/166293882.db2.gz JPZAZTKBINZAOT-MCIONIFRSA-N 1 1 349.431 3.298 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359553030 167190273 /nfs/dbraw/zinc/19/02/73/167190273.db2.gz GXMWHPZWIQVOIK-UGSOOPFHSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1nn(-c2cc[nH+]cc2)cc1CNCc1cccc([N+](=O)[O-])c1C ZINC000359802782 167236212 /nfs/dbraw/zinc/23/62/12/167236212.db2.gz MNOTYVURVQWXJO-UHFFFAOYSA-N 1 1 337.383 3.082 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)cc1C(F)(F)F ZINC000367905819 168282444 /nfs/dbraw/zinc/28/24/44/168282444.db2.gz CAYILJSVSVDVAV-VIFPVBQESA-N 1 1 326.278 3.306 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)cc1C(F)(F)F ZINC000367905819 168282446 /nfs/dbraw/zinc/28/24/46/168282446.db2.gz CAYILJSVSVDVAV-VIFPVBQESA-N 1 1 326.278 3.306 10 5 EGBEMO CC[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176191415 265161979 /nfs/dbraw/zinc/16/19/79/265161979.db2.gz OMVZUUDRRLNYGO-IAGOWNOFSA-N 1 1 348.447 3.220 10 5 EGBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000184806729 275213649 /nfs/dbraw/zinc/21/36/49/275213649.db2.gz DBKOKTHSIBOXAA-VMPITWQZSA-N 1 1 338.411 3.215 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000278738561 275270321 /nfs/dbraw/zinc/27/03/21/275270321.db2.gz SLVHZQHIOIUAGU-CYBMUJFWSA-N 1 1 339.823 3.159 10 5 EGBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000182283180 275399985 /nfs/dbraw/zinc/39/99/85/275399985.db2.gz KHHALACDROBJNY-BYIUCRAPSA-N 1 1 343.383 3.010 10 5 EGBEMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570714 276017980 /nfs/dbraw/zinc/01/79/80/276017980.db2.gz POPWHXZFOKIQQU-IINYFYTJSA-N 1 1 346.305 3.083 10 5 EGBEMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000286570714 276017983 /nfs/dbraw/zinc/01/79/83/276017983.db2.gz POPWHXZFOKIQQU-IINYFYTJSA-N 1 1 346.305 3.083 10 5 EGBEMO C[N@H+]1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000289459005 276342274 /nfs/dbraw/zinc/34/22/74/276342274.db2.gz VSHVIACDZVNEIH-QZTJIDSGSA-N 1 1 347.365 3.408 10 5 EGBEMO CN1CC[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000289459005 276342276 /nfs/dbraw/zinc/34/22/76/276342276.db2.gz VSHVIACDZVNEIH-QZTJIDSGSA-N 1 1 347.365 3.408 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161286812 307900993 /nfs/dbraw/zinc/90/09/93/307900993.db2.gz MPSWSLDLLYTFDK-IINYFYTJSA-N 1 1 332.322 3.291 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248388378 308001633 /nfs/dbraw/zinc/00/16/33/308001633.db2.gz DSDQLCMPKIBWAL-QGPMSJSTSA-N 1 1 347.459 3.008 10 5 EGBEMO Cc1cc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295997226 308383132 /nfs/dbraw/zinc/38/31/32/308383132.db2.gz XKZCIHJCUNCVGN-RYUDHWBXSA-N 1 1 339.823 3.111 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000301152119 308690029 /nfs/dbraw/zinc/69/00/29/308690029.db2.gz DOELDCOOLWDBJQ-UHFFFAOYSA-N 1 1 341.411 3.348 10 5 EGBEMO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@]1(C)C[NH3+] ZINC000415056070 309117034 /nfs/dbraw/zinc/11/70/34/309117034.db2.gz PLDXJHMFADRWQV-FZKQIMNGSA-N 1 1 329.400 3.272 10 5 EGBEMO CCOc1cccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000449763317 310085455 /nfs/dbraw/zinc/08/54/55/310085455.db2.gz QSUZQNCKOCHUBP-UHFFFAOYSA-N 1 1 344.411 3.296 10 5 EGBEMO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451960008 310205190 /nfs/dbraw/zinc/20/51/90/310205190.db2.gz ZCBTVDYWLRJKNK-QWHCGFSZSA-N 1 1 335.404 3.052 10 5 EGBEMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000451960008 310205191 /nfs/dbraw/zinc/20/51/91/310205191.db2.gz ZCBTVDYWLRJKNK-QWHCGFSZSA-N 1 1 335.404 3.052 10 5 EGBEMO Cc1cc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)cc([N+](=O)[O-])c1 ZINC000453255917 310267059 /nfs/dbraw/zinc/26/70/59/310267059.db2.gz FUJZDBSVNBCXOY-ZDUSSCGKSA-N 1 1 325.328 3.075 10 5 EGBEMO COc1cc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000492850311 311298878 /nfs/dbraw/zinc/29/88/78/311298878.db2.gz GEDXZYTVQVQAME-SCLBCKFNSA-N 1 1 342.395 3.427 10 5 EGBEMO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000540398198 314377858 /nfs/dbraw/zinc/37/78/58/314377858.db2.gz OCZRDDDWFWZPGY-CQSZACIVSA-N 1 1 348.447 3.220 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc4nc[nH]c4c3)c2c1 ZINC000554723725 315345217 /nfs/dbraw/zinc/34/52/17/315345217.db2.gz PBIDVGLYIBZVPH-UHFFFAOYSA-N 1 1 335.367 3.285 10 5 EGBEMO Cc1cc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000379684594 324241073 /nfs/dbraw/zinc/24/10/73/324241073.db2.gz FPARNCDFMIWTTQ-QGZVFWFLSA-N 1 1 340.427 3.187 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000578771017 325016847 /nfs/dbraw/zinc/01/68/47/325016847.db2.gz CGJBTHGWVIAKRN-RKCSUWQLSA-N 1 1 334.441 3.206 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000579974961 325186428 /nfs/dbraw/zinc/18/64/28/325186428.db2.gz CWQPNCDYCCLSFX-AWEZNQCLSA-N 1 1 327.384 3.296 10 5 EGBEMO C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@H+](C2CCC2)C1 ZINC000580188383 325215161 /nfs/dbraw/zinc/21/51/61/325215161.db2.gz KQIJGWAADGETAC-AWEZNQCLSA-N 1 1 344.459 3.179 10 5 EGBEMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000181254103 455308245 /nfs/dbraw/zinc/30/82/45/455308245.db2.gz GDOFCLQNOVHTPB-AWEZNQCLSA-N 1 1 349.456 3.016 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046375492 454246644 /nfs/dbraw/zinc/24/66/44/454246644.db2.gz ABTGXLVOZDVRSW-NSHDSACASA-N 1 1 340.811 3.244 10 5 EGBEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000120944390 454367676 /nfs/dbraw/zinc/36/76/76/454367676.db2.gz ZDAAGFIGMSBXJZ-HIFRSBDPSA-N 1 1 348.447 3.406 10 5 EGBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176264383 454719865 /nfs/dbraw/zinc/71/98/65/454719865.db2.gz LJLSGNRXAMUOKD-LBPRGKRZSA-N 1 1 340.811 3.196 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176724602 454775624 /nfs/dbraw/zinc/77/56/24/454775624.db2.gz OAKDVZVVIQJQRR-GOEBONIOSA-N 1 1 348.447 3.090 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)o1 ZINC000126654625 454908560 /nfs/dbraw/zinc/90/85/60/454908560.db2.gz IQACKKUISMZOSO-PBWFPOADSA-N 1 1 328.368 3.343 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000179959851 455106527 /nfs/dbraw/zinc/10/65/27/455106527.db2.gz JIGYPBHBZKIDEQ-VFADXPBXSA-N 1 1 332.400 3.272 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000156750910 455148375 /nfs/dbraw/zinc/14/83/75/455148375.db2.gz QACAJPIKWLHIMG-CYBMUJFWSA-N 1 1 338.379 3.288 10 5 EGBEMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000156750910 455148376 /nfs/dbraw/zinc/14/83/76/455148376.db2.gz QACAJPIKWLHIMG-CYBMUJFWSA-N 1 1 338.379 3.288 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(Cl)c1 ZINC000182243845 455470764 /nfs/dbraw/zinc/47/07/64/455470764.db2.gz JKLPWDDEDOWUNL-HNNXBMFYSA-N 1 1 333.775 3.297 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(Cl)c1 ZINC000182243845 455470768 /nfs/dbraw/zinc/47/07/68/455470768.db2.gz JKLPWDDEDOWUNL-HNNXBMFYSA-N 1 1 333.775 3.297 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247344604 455590659 /nfs/dbraw/zinc/59/06/59/455590659.db2.gz JIBMCQITKGOEJH-XHDPSFHLSA-N 1 1 339.823 3.051 10 5 EGBEMO CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000252484569 455810130 /nfs/dbraw/zinc/81/01/30/455810130.db2.gz FZNKKYXOZHCMJN-CABCVRRESA-N 1 1 335.448 3.045 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285642091 455886866 /nfs/dbraw/zinc/88/68/66/455886866.db2.gz OLZICVXADQCMKY-UHFFFAOYSA-N 1 1 342.399 3.016 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285642091 455886871 /nfs/dbraw/zinc/88/68/71/455886871.db2.gz OLZICVXADQCMKY-UHFFFAOYSA-N 1 1 342.399 3.016 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000194959534 455906011 /nfs/dbraw/zinc/90/60/11/455906011.db2.gz MSEFHJACZFAZOS-MAUKXSAKSA-N 1 1 339.395 3.078 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH+]ccc(NC3CCN(c4ccccn4)CC3)c2c1 ZINC000601104876 460712303 /nfs/dbraw/zinc/71/23/03/460712303.db2.gz KCYIVMFFXAREIB-UHFFFAOYSA-N 1 1 349.394 3.041 10 5 EGBEMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ccc([N+](=O)[O-])cn3)c2)C[C@H](C)O1 ZINC000301341194 456093915 /nfs/dbraw/zinc/09/39/15/456093915.db2.gz DZXCKRUCFCXDPV-OKILXGFUSA-N 1 1 342.399 3.343 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280985878 456100848 /nfs/dbraw/zinc/10/08/48/456100848.db2.gz LLJAZCOPFUPPRX-KBXCAEBGSA-N 1 1 327.384 3.342 10 5 EGBEMO Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301469223 456123179 /nfs/dbraw/zinc/12/31/79/456123179.db2.gz HUULCAKWGIUZHH-GZBFAFLISA-N 1 1 335.835 3.477 10 5 EGBEMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000352779012 456297862 /nfs/dbraw/zinc/29/78/62/456297862.db2.gz MZANJOSLLXIVTE-LBPRGKRZSA-N 1 1 346.383 3.471 10 5 EGBEMO CSCCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353527313 456736697 /nfs/dbraw/zinc/73/66/97/456736697.db2.gz KSNAFCYBXUKELT-HNNXBMFYSA-N 1 1 334.445 3.151 10 5 EGBEMO COc1cc(C)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000348670682 456810015 /nfs/dbraw/zinc/81/00/15/456810015.db2.gz JNUULSPKUDKOKI-UHFFFAOYSA-N 1 1 329.400 3.290 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH2+][C@H](c2cccnc2)C2CC2)c2c(c1)COCO2 ZINC000340106694 457334752 /nfs/dbraw/zinc/33/47/52/457334752.db2.gz SLDMWAQCYUQOJV-KRWDZBQOSA-N 1 1 341.367 3.097 10 5 EGBEMO Cc1c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026243 457445582 /nfs/dbraw/zinc/44/55/82/457445582.db2.gz JBFOQYBSGUKTMW-GLJUWKHASA-N 1 1 334.416 3.062 10 5 EGBEMO Cc1c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cccc1[N+](=O)[O-] ZINC000374026243 457445588 /nfs/dbraw/zinc/44/55/88/457445588.db2.gz JBFOQYBSGUKTMW-GLJUWKHASA-N 1 1 334.416 3.062 10 5 EGBEMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000443521233 457775216 /nfs/dbraw/zinc/77/52/16/457775216.db2.gz UZGWOCAJYIGPSC-UHFFFAOYSA-N 1 1 332.791 3.113 10 5 EGBEMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000443521233 457775225 /nfs/dbraw/zinc/77/52/25/457775225.db2.gz UZGWOCAJYIGPSC-UHFFFAOYSA-N 1 1 332.791 3.113 10 5 EGBEMO Cn1cc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C)cn1 ZINC000444672159 457935740 /nfs/dbraw/zinc/93/57/40/457935740.db2.gz FMPPSLZWNQQQOE-MRXNPFEDSA-N 1 1 342.403 3.082 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412049838 458067372 /nfs/dbraw/zinc/06/73/72/458067372.db2.gz XARGCIHSEHEBAH-NEPJUHHUSA-N 1 1 335.404 3.051 10 5 EGBEMO CC[C@@H](NC(=O)N1CC[N@@H+](CC)C[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000458506323 458074154 /nfs/dbraw/zinc/07/41/54/458074154.db2.gz NPKCVKOAYYDQLF-DOTOQJQBSA-N 1 1 348.447 3.172 10 5 EGBEMO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526872 458082743 /nfs/dbraw/zinc/08/27/43/458082743.db2.gz YIQKDHZYMRZNAH-IAGOWNOFSA-N 1 1 348.447 3.170 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000439163824 458666094 /nfs/dbraw/zinc/66/60/94/458666094.db2.gz HJPHOFOQECUNSE-AAEUAGOBSA-N 1 1 339.823 3.111 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441024105 458878846 /nfs/dbraw/zinc/87/88/46/458878846.db2.gz GKGFHKVWMFVOPQ-YJYMSZOUSA-N 1 1 342.395 3.427 10 5 EGBEMO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630705 458956461 /nfs/dbraw/zinc/95/64/61/458956461.db2.gz IIYLBFJKWOVMHM-HUXJOUILSA-N 1 1 346.427 3.268 10 5 EGBEMO CC[C@@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000475630705 458956468 /nfs/dbraw/zinc/95/64/68/458956468.db2.gz IIYLBFJKWOVMHM-HUXJOUILSA-N 1 1 346.427 3.268 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000578300026 459176384 /nfs/dbraw/zinc/17/63/84/459176384.db2.gz LIGVTRBWVUTJHS-CQSZACIVSA-N 1 1 344.333 3.493 10 5 EGBEMO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000578300026 459176389 /nfs/dbraw/zinc/17/63/89/459176389.db2.gz LIGVTRBWVUTJHS-CQSZACIVSA-N 1 1 344.333 3.493 10 5 EGBEMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnn3c2CCC3)cc(C(F)(F)F)c1 ZINC000594939928 459184638 /nfs/dbraw/zinc/18/46/38/459184638.db2.gz VOMZANYRQPVDFR-UHFFFAOYSA-N 1 1 340.305 3.046 10 5 EGBEMO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000594964931 459197124 /nfs/dbraw/zinc/19/71/24/459197124.db2.gz DTQOJYBUZGHCCR-NSHDSACASA-N 1 1 343.412 3.303 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000595025887 459221296 /nfs/dbraw/zinc/22/12/96/459221296.db2.gz JVGDBPSJKMBXMR-RISCZKNCSA-N 1 1 336.413 3.358 10 5 EGBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000595394987 459290841 /nfs/dbraw/zinc/29/08/41/459290841.db2.gz SOWRCTXPBYYBJX-ZDUSSCGKSA-N 1 1 345.378 3.040 10 5 EGBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000595394987 459290844 /nfs/dbraw/zinc/29/08/44/459290844.db2.gz SOWRCTXPBYYBJX-ZDUSSCGKSA-N 1 1 345.378 3.040 10 5 EGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000595503234 459327829 /nfs/dbraw/zinc/32/78/29/459327829.db2.gz YVRLBQLPGNVRJB-OAHLLOKOSA-N 1 1 327.384 3.248 10 5 EGBEMO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595549328 459342860 /nfs/dbraw/zinc/34/28/60/459342860.db2.gz CNBZBAFSGGOTMH-MRXNPFEDSA-N 1 1 345.374 3.481 10 5 EGBEMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595549328 459342866 /nfs/dbraw/zinc/34/28/66/459342866.db2.gz CNBZBAFSGGOTMH-MRXNPFEDSA-N 1 1 345.374 3.481 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000591510520 459394459 /nfs/dbraw/zinc/39/44/59/459394459.db2.gz WNCVBGGSJHJOEH-CVEARBPZSA-N 1 1 345.443 3.299 10 5 EGBEMO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000595741780 459421392 /nfs/dbraw/zinc/42/13/92/459421392.db2.gz ZFAVZDMXTKVXQA-MJBXVCDLSA-N 1 1 338.429 3.210 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000595741780 459421397 /nfs/dbraw/zinc/42/13/97/459421397.db2.gz ZFAVZDMXTKVXQA-MJBXVCDLSA-N 1 1 338.429 3.210 10 5 EGBEMO O=C(C[N@@H+]1CCC[C@@H](CCF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595754760 459427849 /nfs/dbraw/zinc/42/78/49/459427849.db2.gz BQOCHXKTYYGJFA-NSHDSACASA-N 1 1 343.786 3.258 10 5 EGBEMO O=C(C[N@H+]1CCC[C@@H](CCF)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595754760 459427854 /nfs/dbraw/zinc/42/78/54/459427854.db2.gz BQOCHXKTYYGJFA-NSHDSACASA-N 1 1 343.786 3.258 10 5 EGBEMO CC[C@H](C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596105376 459523211 /nfs/dbraw/zinc/52/32/11/459523211.db2.gz OXFFMXCKNVQODF-JTQLQIEISA-N 1 1 343.811 3.177 10 5 EGBEMO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542210132 459534484 /nfs/dbraw/zinc/53/44/84/459534484.db2.gz NWZJQQJOJDAGED-HOTGVXAUSA-N 1 1 344.411 3.336 10 5 EGBEMO NC(=O)c1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)c([N+](=O)[O-])c1 ZINC000592145694 459536604 /nfs/dbraw/zinc/53/66/04/459536604.db2.gz XMKBIGJSRWKXBM-UHFFFAOYSA-N 1 1 343.358 3.002 10 5 EGBEMO COc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596155870 459541272 /nfs/dbraw/zinc/54/12/72/459541272.db2.gz JXPSQJCQEOEUNY-VHSXEESVSA-N 1 1 325.796 3.294 10 5 EGBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596361205 459607880 /nfs/dbraw/zinc/60/78/80/459607880.db2.gz QCOJUXXMAMRFMB-LBPRGKRZSA-N 1 1 344.406 3.216 10 5 EGBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596361205 459607885 /nfs/dbraw/zinc/60/78/85/459607885.db2.gz QCOJUXXMAMRFMB-LBPRGKRZSA-N 1 1 344.406 3.216 10 5 EGBEMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000583974051 459627774 /nfs/dbraw/zinc/62/77/74/459627774.db2.gz BMCKLDRBSHWFTO-CQSZACIVSA-N 1 1 341.411 3.065 10 5 EGBEMO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000593020559 459742164 /nfs/dbraw/zinc/74/21/64/459742164.db2.gz OPXDFOZBRWNQKB-SECBINFHSA-N 1 1 326.278 3.254 10 5 EGBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000593203439 459807737 /nfs/dbraw/zinc/80/77/37/459807737.db2.gz CFMAJFOOJQNIMJ-UHFFFAOYSA-N 1 1 333.388 3.049 10 5 EGBEMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000597211787 459879423 /nfs/dbraw/zinc/87/94/23/459879423.db2.gz OVZNYAPBSHZHLQ-KSSFIOAISA-N 1 1 328.368 3.323 10 5 EGBEMO CN1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000598973344 460110871 /nfs/dbraw/zinc/11/08/71/460110871.db2.gz FRIGQBAWCJWVPZ-AWEZNQCLSA-N 1 1 330.432 3.081 10 5 EGBEMO COc1ccc([C@H](C)NCc2cc(O)ccc2[N+](=O)[O-])c(OC)c1 ZINC000598994947 460121241 /nfs/dbraw/zinc/12/12/41/460121241.db2.gz KXPYFIHYQSLUCC-NSHDSACASA-N 1 1 332.356 3.168 10 5 EGBEMO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598996604 460121379 /nfs/dbraw/zinc/12/13/79/460121379.db2.gz LMIRXSWYICAUEF-ZBFHGGJFSA-N 1 1 333.413 3.375 10 5 EGBEMO C[N@H+]1CCC[C@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])CC[C@H]21 ZINC000599055552 460141799 /nfs/dbraw/zinc/14/17/99/460141799.db2.gz HUDMQHQSVFNKIU-GOEBONIOSA-N 1 1 326.400 3.064 10 5 EGBEMO C[N@H+]1CCC[C@]2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)C1 ZINC000599085908 460156212 /nfs/dbraw/zinc/15/62/12/460156212.db2.gz HKVVXDXRNJRGIL-SFHVURJKSA-N 1 1 326.400 3.065 10 5 EGBEMO Cc1cc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000610468913 460158858 /nfs/dbraw/zinc/15/88/58/460158858.db2.gz UUOWPIRINNXIPM-MRXNPFEDSA-N 1 1 340.427 3.399 10 5 EGBEMO CCOC(=O)CCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000610997526 460276035 /nfs/dbraw/zinc/27/60/35/460276035.db2.gz WCRXIMCWXHACPS-UHFFFAOYSA-N 1 1 326.418 3.212 10 5 EGBEMO COc1cc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)ccc1[N+](=O)[O-] ZINC000611515386 460384481 /nfs/dbraw/zinc/38/44/81/460384481.db2.gz YSQXZIXPHQLIAJ-HNNXBMFYSA-N 1 1 342.399 3.081 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000601289931 460778289 /nfs/dbraw/zinc/77/82/89/460778289.db2.gz WSBMMDRWKOEARA-HOTGVXAUSA-N 1 1 326.400 3.340 10 5 EGBEMO CC(C)[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000872045033 1296694862 /nfs/dbraw/zinc/69/48/62/1296694862.db2.gz HTARVIADXUOGNO-LRDDRELGSA-N 1 1 337.395 3.032 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@@H]3CCCC3(F)F)C2)nc1 ZINC000878251856 1299865050 /nfs/dbraw/zinc/86/50/50/1299865050.db2.gz UVSDRQBLMSQTIZ-QWHCGFSZSA-N 1 1 340.374 3.302 10 5 EGBEMO COC(=O)C1C[C@@H](C)[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000860189282 1329170226 /nfs/dbraw/zinc/17/02/26/1329170226.db2.gz RVYWHMRGCSAWPV-GHMZBOCLSA-N 1 1 340.807 3.410 10 5 EGBEMO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000863210089 1329534732 /nfs/dbraw/zinc/53/47/32/1329534732.db2.gz LTNDDNRSGSYLCU-MRXNPFEDSA-N 1 1 348.472 3.288 10 5 EGBEMO Cc1nn(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000863320671 1329546429 /nfs/dbraw/zinc/54/64/29/1329546429.db2.gz GPUNYPZAEHXRMR-YESZJQIVSA-N 1 1 326.400 3.101 10 5 EGBEMO Cn1ccnc1[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000866480880 1330117541 /nfs/dbraw/zinc/11/75/41/1330117541.db2.gz LWXZFIBYWORMRZ-HOTGVXAUSA-N 1 1 346.456 3.293 10 5 EGBEMO CC[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001193211965 1367967515 /nfs/dbraw/zinc/96/75/15/1367967515.db2.gz ZXVDQXPXEGLVRL-SFHVURJKSA-N 1 1 340.427 3.086 10 5 EGBEMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001186372418 1387930309 /nfs/dbraw/zinc/93/03/09/1387930309.db2.gz FVGHTJJHXTXIPS-CQSZACIVSA-N 1 1 347.415 3.119 10 5 EGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2cc(C)ccc2CC1(C)C ZINC001194607150 1368295583 /nfs/dbraw/zinc/29/55/83/1368295583.db2.gz DIOGDLOPLHEZSP-UHFFFAOYSA-N 1 1 328.416 3.245 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001197203817 1368763950 /nfs/dbraw/zinc/76/39/50/1368763950.db2.gz UTTWROXBCXXUIZ-AWEZNQCLSA-N 1 1 331.416 3.096 10 5 EGBEMO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC001125229531 1372762108 /nfs/dbraw/zinc/76/21/08/1372762108.db2.gz GDFSUSCFSNXPFI-AWEZNQCLSA-N 1 1 343.408 3.281 10 5 EGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001132619096 1375486779 /nfs/dbraw/zinc/48/67/79/1375486779.db2.gz LZJQACGAZNNCSO-INIZCTEOSA-N 1 1 349.406 3.261 10 5 EGBEMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001289678720 1382007960 /nfs/dbraw/zinc/00/79/60/1382007960.db2.gz IWDYQELLAFVWQE-INIZCTEOSA-N 1 1 347.459 3.012 10 5 EGBEMO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3c(F)cccc3F)CC2)c1 ZINC001167015733 1383519124 /nfs/dbraw/zinc/51/91/24/1383519124.db2.gz GXRKGXQNRNREJX-UHFFFAOYSA-N 1 1 347.365 3.238 10 5 EGBEMO 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CCOc1ccccc1OCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535245775 314034079 /nfs/dbraw/zinc/03/40/79/314034079.db2.gz GNGQEKASHLPRRB-UHFFFAOYSA-N 1 1 342.395 3.431 10 5 EGBEMO COC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)o1 ZINC000535726848 314064104 /nfs/dbraw/zinc/06/41/04/314064104.db2.gz PKGUYCHKZYLKHM-UHFFFAOYSA-N 1 1 344.367 3.447 10 5 EGBEMO COC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)o1 ZINC000535726848 314064105 /nfs/dbraw/zinc/06/41/05/314064105.db2.gz PKGUYCHKZYLKHM-UHFFFAOYSA-N 1 1 344.367 3.447 10 5 EGBEMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC000029587897 453829971 /nfs/dbraw/zinc/82/99/71/453829971.db2.gz BBDYKBONDLBWOM-UHFFFAOYSA-N 1 1 345.374 3.178 10 5 EGBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCc1ccc(F)cc1 ZINC000055022747 453956600 /nfs/dbraw/zinc/95/66/00/453956600.db2.gz LMJBWZMPCZMHRM-ZDUSSCGKSA-N 1 1 345.374 3.235 10 5 EGBEMO C[C@@H]1C[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000089908025 454232060 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333.413 3.312 10 5 EGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000137016237 454764928 /nfs/dbraw/zinc/76/49/28/454764928.db2.gz CQVRWCDABKWRFL-CABCVRRESA-N 1 1 333.413 3.312 10 5 EGBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000153375031 454787877 /nfs/dbraw/zinc/78/78/77/454787877.db2.gz AQEOGVIITWWYHO-UHFFFAOYSA-N 1 1 334.379 3.339 10 5 EGBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000153375031 454787881 /nfs/dbraw/zinc/78/78/81/454787881.db2.gz AQEOGVIITWWYHO-UHFFFAOYSA-N 1 1 334.379 3.339 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152406367 455114050 /nfs/dbraw/zinc/11/40/50/455114050.db2.gz IUFYQUSJYJQXMN-ZFWWWQNUSA-N 1 1 341.415 3.462 10 5 EGBEMO Cc1c(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000152488482 455126021 /nfs/dbraw/zinc/12/60/21/455126021.db2.gz BJYXYCMVWCGOBU-OAHLLOKOSA-N 1 1 341.415 3.209 10 5 EGBEMO Cc1c(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000245917720 455398396 /nfs/dbraw/zinc/39/83/96/455398396.db2.gz SDIATDYJUZHUFX-HOTGVXAUSA-N 1 1 336.457 3.390 10 5 EGBEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277886827 455698028 /nfs/dbraw/zinc/69/80/28/455698028.db2.gz CZQFTNOLARPOBT-CYBMUJFWSA-N 1 1 339.823 3.161 10 5 EGBEMO CO[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000251436005 455790888 /nfs/dbraw/zinc/79/08/88/455790888.db2.gz AVDYPZLVFIXKGJ-BLLLJJGKSA-N 1 1 331.372 3.107 10 5 EGBEMO CO[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000251436005 455790894 /nfs/dbraw/zinc/79/08/94/455790894.db2.gz AVDYPZLVFIXKGJ-BLLLJJGKSA-N 1 1 331.372 3.107 10 5 EGBEMO COC(=O)c1cccc(OCc2c(C)cc(C)[nH+]c2C)c1[N+](=O)[O-] ZINC000601083714 460703379 /nfs/dbraw/zinc/70/33/79/460703379.db2.gz LHJLWOIDHWOPDH-UHFFFAOYSA-N 1 1 330.340 3.281 10 5 EGBEMO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270780217 456037381 /nfs/dbraw/zinc/03/73/81/456037381.db2.gz ONSLUYXHLRXOTP-HOCLYGCPSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270780217 456037382 /nfs/dbraw/zinc/03/73/82/456037382.db2.gz ONSLUYXHLRXOTP-HOCLYGCPSA-N 1 1 334.326 3.125 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1 ZINC000301750354 456205277 /nfs/dbraw/zinc/20/52/77/456205277.db2.gz ALLHJXUTCOVCSD-LBPRGKRZSA-N 1 1 337.395 3.196 10 5 EGBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)nc1-c1ccccc1 ZINC000301896084 456245187 /nfs/dbraw/zinc/24/51/87/456245187.db2.gz YXHPPIZZVCKBFV-INIZCTEOSA-N 1 1 338.411 3.331 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000301954674 456258723 /nfs/dbraw/zinc/25/87/23/456258723.db2.gz KQBXUVOGXZQECX-WCQYABFASA-N 1 1 343.374 3.363 10 5 EGBEMO O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000302116845 456291109 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347.459 3.298 10 5 EGBEMO COCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339677325 457207553 /nfs/dbraw/zinc/20/75/53/457207553.db2.gz HFPULTGZEDVIMQ-GFCCVEGCSA-N 1 1 347.337 3.136 10 5 EGBEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C12CCC2 ZINC000352526295 457439979 /nfs/dbraw/zinc/43/99/79/457439979.db2.gz MEHVHYOJNGLVBX-IAGOWNOFSA-N 1 1 334.416 3.383 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374540270 457652498 /nfs/dbraw/zinc/65/24/98/457652498.db2.gz WSFDTBYVMNPLCR-QZTJIDSGSA-N 1 1 330.359 3.199 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000374540270 457652508 /nfs/dbraw/zinc/65/25/08/457652508.db2.gz WSFDTBYVMNPLCR-QZTJIDSGSA-N 1 1 330.359 3.199 10 5 EGBEMO CC[C@H](NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358163386 457827875 /nfs/dbraw/zinc/82/78/75/457827875.db2.gz MMLGZUZJUHLYAU-CJNGLKHVSA-N 1 1 336.436 3.074 10 5 EGBEMO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCCCO1 ZINC000444662895 457931514 /nfs/dbraw/zinc/93/15/14/457931514.db2.gz XCICUBMZXXIWDU-CQSZACIVSA-N 1 1 332.404 3.252 10 5 EGBEMO COCC[C@@H]1CCCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680068 457937432 /nfs/dbraw/zinc/93/74/32/457937432.db2.gz DEORCFFPRJUUJU-ZDUSSCGKSA-N 1 1 332.404 3.110 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000412042197 458062069 /nfs/dbraw/zinc/06/20/69/458062069.db2.gz MHJYPXHAFJSDLJ-GFCCVEGCSA-N 1 1 335.404 3.052 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)s2)cc1 ZINC000428378640 458131663 /nfs/dbraw/zinc/13/16/63/458131663.db2.gz UWLBBNRAEMYNSK-MRXNPFEDSA-N 1 1 330.409 3.280 10 5 EGBEMO COc1ccc(OCC[N@@H+](C)CCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000441224329 458902607 /nfs/dbraw/zinc/90/26/07/458902607.db2.gz CDDZRRDSIOJXAN-UHFFFAOYSA-N 1 1 348.374 3.296 10 5 EGBEMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000477173286 459034049 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CQTQPNUSSYEZBE-NSHDSACASA-N 1 1 334.401 3.039 10 5 EGBEMO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000595741778 459421542 /nfs/dbraw/zinc/42/15/42/459421542.db2.gz ZFAVZDMXTKVXQA-MCIONIFRSA-N 1 1 338.429 3.210 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000595741778 459421545 /nfs/dbraw/zinc/42/15/45/459421545.db2.gz ZFAVZDMXTKVXQA-MCIONIFRSA-N 1 1 338.429 3.210 10 5 EGBEMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595756821 459427417 /nfs/dbraw/zinc/42/74/17/459427417.db2.gz XKHOLFGVDJWYNA-CQSZACIVSA-N 1 1 337.395 3.303 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000542545682 459569826 /nfs/dbraw/zinc/56/98/26/459569826.db2.gz TZWPEXPCQSDRBX-HIFRSBDPSA-N 1 1 326.824 3.477 10 5 EGBEMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000542545682 459569828 /nfs/dbraw/zinc/56/98/28/459569828.db2.gz TZWPEXPCQSDRBX-HIFRSBDPSA-N 1 1 326.824 3.477 10 5 EGBEMO CC[C@@H](NC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000596451756 459640793 /nfs/dbraw/zinc/64/07/93/459640793.db2.gz ARMFQOINDCSRCB-IAGOWNOFSA-N 1 1 348.447 3.172 10 5 EGBEMO Cc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c([N+](=O)[O-])s1 ZINC000596514104 459663216 /nfs/dbraw/zinc/66/32/16/459663216.db2.gz IDEZIICWYVERBO-ZIAGYGMSSA-N 1 1 337.445 3.020 10 5 EGBEMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000544106279 459727115 /nfs/dbraw/zinc/72/71/15/459727115.db2.gz DDNMPXTYOWLNSJ-LBPRGKRZSA-N 1 1 337.807 3.475 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC000593053241 459756770 /nfs/dbraw/zinc/75/67/70/459756770.db2.gz YYGXLIWSRIBXCY-UHFFFAOYSA-N 1 1 338.367 3.110 10 5 EGBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC000593053241 459756776 /nfs/dbraw/zinc/75/67/76/459756776.db2.gz YYGXLIWSRIBXCY-UHFFFAOYSA-N 1 1 338.367 3.110 10 5 EGBEMO COc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1[N+](=O)[O-] ZINC000593054581 459757278 /nfs/dbraw/zinc/75/72/78/459757278.db2.gz KUGYJZNTTKNYMU-UHFFFAOYSA-N 1 1 348.296 3.470 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000593189669 459801843 /nfs/dbraw/zinc/80/18/43/459801843.db2.gz XQNDRVXBGGOQLS-IJLUTSLNSA-N 1 1 339.823 3.110 10 5 EGBEMO C[N@H+]1CCC[C@]2(CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000593472953 459899721 /nfs/dbraw/zinc/89/97/21/459899721.db2.gz MKDUSCUIXHEFTM-SFHVURJKSA-N 1 1 326.400 3.065 10 5 EGBEMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000589349844 460077426 /nfs/dbraw/zinc/07/74/26/460077426.db2.gz TZFGAOIOCNCGIP-CHWSQXEVSA-N 1 1 346.456 3.336 10 5 EGBEMO Cc1cnc(N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610468826 460158539 /nfs/dbraw/zinc/15/85/39/460158539.db2.gz HCDJJMDUAUCOIU-MRXNPFEDSA-N 1 1 340.427 3.399 10 5 EGBEMO CC[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599156402 460181534 /nfs/dbraw/zinc/18/15/34/460181534.db2.gz 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C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059649 460461688 /nfs/dbraw/zinc/46/16/88/460461688.db2.gz BRDVYTIBVKHBSB-UKRRQHHQSA-N 1 1 326.400 3.206 10 5 EGBEMO Cc1cc(F)ccc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000617100601 460744234 /nfs/dbraw/zinc/74/42/34/460744234.db2.gz FMAPEUXYNSIJDP-UHFFFAOYSA-N 1 1 346.358 3.446 10 5 EGBEMO Cc1cc(F)ccc1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000617100601 460744236 /nfs/dbraw/zinc/74/42/36/460744236.db2.gz FMAPEUXYNSIJDP-UHFFFAOYSA-N 1 1 346.358 3.446 10 5 EGBEMO COc1cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000347925202 536806352 /nfs/dbraw/zinc/80/63/52/536806352.db2.gz GSLDTBJJIAQUNC-GOEBONIOSA-N 1 1 347.459 3.346 10 5 EGBEMO CCOC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000118001709 1293228083 /nfs/dbraw/zinc/22/80/83/1293228083.db2.gz CNPWEQGVPRFLJP-UHFFFAOYSA-N 1 1 326.780 3.166 10 5 EGBEMO CCOC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000118001709 1293228091 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WOSZZIYXSRDMDJ-MRXNPFEDSA-N 1 1 330.409 3.479 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3[C@@H]4CC[C@H]3CC(O)C4)cs2)c1 ZINC000126539475 454901433 /nfs/dbraw/zinc/90/14/33/454901433.db2.gz AHIUDHVCUYMKEY-MZBDJJRSSA-N 1 1 345.424 3.206 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000177967828 454924009 /nfs/dbraw/zinc/92/40/09/454924009.db2.gz MQFPHYGSRXORGB-HNNXBMFYSA-N 1 1 333.775 3.297 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000177967828 454924010 /nfs/dbraw/zinc/92/40/10/454924010.db2.gz MQFPHYGSRXORGB-HNNXBMFYSA-N 1 1 333.775 3.297 10 5 EGBEMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000179014140 454999279 /nfs/dbraw/zinc/99/92/79/454999279.db2.gz RKKSIBLTKGNKSF-IRXDYDNUSA-N 1 1 340.383 3.162 10 5 EGBEMO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181902503 455397001 /nfs/dbraw/zinc/39/70/01/455397001.db2.gz QXFKVGDIUMYWMK-GFCCVEGCSA-N 1 1 341.346 3.165 10 5 EGBEMO 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3.092 10 5 EGBEMO O=[N+]([O-])c1cnccc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343629116 456755897 /nfs/dbraw/zinc/75/58/97/456755897.db2.gz KXJZXMKKMWPMLR-IBGZPJMESA-N 1 1 338.411 3.092 10 5 EGBEMO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353568685 456767775 /nfs/dbraw/zinc/76/77/75/456767775.db2.gz FBEQGDSZGDNDIB-INIZCTEOSA-N 1 1 343.402 3.440 10 5 EGBEMO CC1(C)C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000353617215 456806165 /nfs/dbraw/zinc/80/61/65/456806165.db2.gz CNLWPPQZFFVMEB-DIFFPNOSSA-N 1 1 326.400 3.187 10 5 EGBEMO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000354144225 457091917 /nfs/dbraw/zinc/09/19/17/457091917.db2.gz RVLDBHMVCBASFW-DLBZAZTESA-N 1 1 348.447 3.220 10 5 EGBEMO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCN1CC(F)F ZINC000349973185 457127999 /nfs/dbraw/zinc/12/79/99/457127999.db2.gz LBFBBQVCOQXTQV-CQSZACIVSA-N 1 1 327.375 3.065 10 5 EGBEMO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCN1CC(F)F 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ZINC000414186732 309065598 /nfs/dbraw/zinc/06/55/98/309065598.db2.gz PHDQHVFYUVKSHX-ZDUSSCGKSA-N 1 1 340.383 3.492 10 5 EGBEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294631009 308239921 /nfs/dbraw/zinc/23/99/21/308239921.db2.gz PGYGGONYLABKNI-DDFAGTSDSA-N 1 1 332.322 3.347 10 5 EGBEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294631009 308239923 /nfs/dbraw/zinc/23/99/23/308239923.db2.gz PGYGGONYLABKNI-DDFAGTSDSA-N 1 1 332.322 3.347 10 5 EGBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449420035 310060712 /nfs/dbraw/zinc/06/07/12/310060712.db2.gz ISRBWTGQSVDURR-RHSMWYFYSA-N 1 1 330.384 3.448 10 5 EGBEMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000451544718 310184637 /nfs/dbraw/zinc/18/46/37/310184637.db2.gz FMXYCUJQXHCBCA-GXTWGEPZSA-N 1 1 332.322 3.088 10 5 EGBEMO COc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000540296595 314373160 /nfs/dbraw/zinc/37/31/60/314373160.db2.gz FWEWFZCEAXHNRE-UHFFFAOYSA-N 1 1 339.411 3.299 10 5 EGBEMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000551724712 315165447 /nfs/dbraw/zinc/16/54/47/315165447.db2.gz VIZHOYDBSGWPQA-AWEZNQCLSA-N 1 1 339.823 3.129 10 5 EGBEMO CN1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000552283386 315210829 /nfs/dbraw/zinc/21/08/29/315210829.db2.gz BLUBVBBRLPKOOR-PMPSAXMXSA-N 1 1 337.851 3.253 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399482 453997446 /nfs/dbraw/zinc/99/74/46/453997446.db2.gz LZZVJQQABOFKKS-LBPRGKRZSA-N 1 1 331.338 3.226 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399482 453997450 /nfs/dbraw/zinc/99/74/50/453997450.db2.gz LZZVJQQABOFKKS-LBPRGKRZSA-N 1 1 331.338 3.226 10 5 EGBEMO CCc1ccc(C[NH+]2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)s1 ZINC000077985890 454174845 /nfs/dbraw/zinc/17/48/45/454174845.db2.gz WLOPPEMUJYXONF-UHFFFAOYSA-N 1 1 346.456 3.244 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2csc([C@H]3C[N@H+]4CCC[C@@H]4CO3)n2)c(F)c1 ZINC000600885922 460631107 /nfs/dbraw/zinc/63/11/07/460631107.db2.gz ZQOBDMVURQAFAE-IAQYHMDHSA-N 1 1 349.387 3.393 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000120246386 454277504 /nfs/dbraw/zinc/27/75/04/454277504.db2.gz FWSCNZQCLRPKOF-CQSZACIVSA-N 1 1 334.420 3.208 10 5 EGBEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090559186 454321443 /nfs/dbraw/zinc/32/14/43/454321443.db2.gz KOGUGDFUFONUBO-CJNGLKHVSA-N 1 1 336.436 3.075 10 5 EGBEMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1C ZINC000092656960 454602691 /nfs/dbraw/zinc/60/26/91/454602691.db2.gz XYJKUXVTPXBHHE-PWSUYJOCSA-N 1 1 329.347 3.115 10 5 EGBEMO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074775153 454633593 /nfs/dbraw/zinc/63/35/93/454633593.db2.gz NQBDIUNIFFCJFB-QGZVFWFLSA-N 1 1 326.400 3.091 10 5 EGBEMO CC(C)c1nc2c(n1C)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000106370848 454692427 /nfs/dbraw/zinc/69/24/27/454692427.db2.gz NOYHLCLSPJGKAG-UHFFFAOYSA-N 1 1 328.416 3.053 10 5 EGBEMO CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000176690615 454772141 /nfs/dbraw/zinc/77/21/41/454772141.db2.gz NMMUTMWSPIDJGX-IAGOWNOFSA-N 1 1 348.447 3.172 10 5 EGBEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000177058892 454816792 /nfs/dbraw/zinc/81/67/92/454816792.db2.gz GIWMSTQNKSBQRU-CQSZACIVSA-N 1 1 341.371 3.078 10 5 EGBEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000177058892 454816797 /nfs/dbraw/zinc/81/67/97/454816797.db2.gz GIWMSTQNKSBQRU-CQSZACIVSA-N 1 1 341.371 3.078 10 5 EGBEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177704 455132891 /nfs/dbraw/zinc/13/28/91/455132891.db2.gz NOXDOSCCWCHWOY-GFCCVEGCSA-N 1 1 349.822 3.239 10 5 EGBEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177704 455132895 /nfs/dbraw/zinc/13/28/95/455132895.db2.gz NOXDOSCCWCHWOY-GFCCVEGCSA-N 1 1 349.822 3.239 10 5 EGBEMO C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245561865 455330597 /nfs/dbraw/zinc/33/05/97/455330597.db2.gz CIUHOVIOGRUQBH-MAUKXSAKSA-N 1 1 344.415 3.143 10 5 EGBEMO C[C@H]([NH2+][C@@H](C[S@@](C)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245923103 455400202 /nfs/dbraw/zinc/40/02/02/455400202.db2.gz YEQVWRVNFBZKDC-SJZFEPBNSA-N 1 1 332.425 3.365 10 5 EGBEMO CCOc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246547210 455506685 /nfs/dbraw/zinc/50/66/85/455506685.db2.gz WHEQKRIITWLYEE-YCPHGPKFSA-N 1 1 335.448 3.373 10 5 EGBEMO CCOc1ccc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246547210 455506688 /nfs/dbraw/zinc/50/66/88/455506688.db2.gz WHEQKRIITWLYEE-YCPHGPKFSA-N 1 1 335.448 3.373 10 5 EGBEMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000247921112 455655101 /nfs/dbraw/zinc/65/51/01/455655101.db2.gz BWKCMRNQBBQJRX-MSOLQXFVSA-N 1 1 339.395 3.078 10 5 EGBEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000193282580 455750249 /nfs/dbraw/zinc/75/02/49/455750249.db2.gz XJDUSDQBCQFURQ-QWHCGFSZSA-N 1 1 331.372 3.482 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249538215 455761477 /nfs/dbraw/zinc/76/14/77/455761477.db2.gz DBVJXEYZADCVPP-PVUWLOKVSA-N 1 1 332.425 3.425 10 5 EGBEMO Cc1nc(C[C@@H]2CCC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)no1 ZINC000255037059 455859468 /nfs/dbraw/zinc/85/94/68/455859468.db2.gz YUDOMBKSNHAVFB-KKTNHOPESA-N 1 1 342.399 3.254 10 5 EGBEMO CCOc1cc(C[N@H+]2CC=C(c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000285710108 455901228 /nfs/dbraw/zinc/90/12/28/455901228.db2.gz SZJAPRNWULFSER-UHFFFAOYSA-N 1 1 342.399 3.016 10 5 EGBEMO CCOc1cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000285710108 455901234 /nfs/dbraw/zinc/90/12/34/455901234.db2.gz SZJAPRNWULFSER-UHFFFAOYSA-N 1 1 342.399 3.016 10 5 EGBEMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000188102939 455997510 /nfs/dbraw/zinc/99/75/10/455997510.db2.gz IUPHHXPGRQOSOB-CJNGLKHVSA-N 1 1 334.416 3.349 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000301452750 456120992 /nfs/dbraw/zinc/12/09/92/456120992.db2.gz ARORXLZGTKVYNI-OLZOCXBDSA-N 1 1 337.395 3.194 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000291055568 456512162 /nfs/dbraw/zinc/51/21/62/456512162.db2.gz CMWRIPXRINABMD-HNNXBMFYSA-N 1 1 345.321 3.024 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000291055570 456512409 /nfs/dbraw/zinc/51/24/09/456512409.db2.gz CMWRIPXRINABMD-OAHLLOKOSA-N 1 1 345.321 3.024 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000348314419 456616025 /nfs/dbraw/zinc/61/60/25/456616025.db2.gz BHXXWCNSHSUOMO-OAHLLOKOSA-N 1 1 332.379 3.290 10 5 EGBEMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(F)c1 ZINC000340897954 456748620 /nfs/dbraw/zinc/74/86/20/456748620.db2.gz KMUQNFHBPMSCCN-VXGBXAGGSA-N 1 1 331.347 3.412 10 5 EGBEMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353559492 456760533 /nfs/dbraw/zinc/76/05/33/456760533.db2.gz FRHIQRMVZUSVPK-AWEZNQCLSA-N 1 1 331.441 3.363 10 5 EGBEMO CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349840625 457073342 /nfs/dbraw/zinc/07/33/42/457073342.db2.gz RPTJISRFPHIYSE-IBGZPJMESA-N 1 1 325.412 3.301 10 5 EGBEMO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000354144227 457091787 /nfs/dbraw/zinc/09/17/87/457091787.db2.gz RVLDBHMVCBASFW-IRXDYDNUSA-N 1 1 348.447 3.220 10 5 EGBEMO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000342284336 457211754 /nfs/dbraw/zinc/21/17/54/457211754.db2.gz RNEZMMXDGYBSRQ-LBPRGKRZSA-N 1 1 341.367 3.087 10 5 EGBEMO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000342296792 457220121 /nfs/dbraw/zinc/22/01/21/457220121.db2.gz KCVQXZJFLQKNGQ-CYBMUJFWSA-N 1 1 327.384 3.147 10 5 EGBEMO CC(C)c1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000439413767 458699421 /nfs/dbraw/zinc/69/94/21/458699421.db2.gz UQRNWERRIQGOCI-AWEZNQCLSA-N 1 1 333.432 3.322 10 5 EGBEMO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041408 459225752 /nfs/dbraw/zinc/22/57/52/459225752.db2.gz PSXNVPFDKWTSTF-VXGBXAGGSA-N 1 1 331.372 3.419 10 5 EGBEMO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041396 459226041 /nfs/dbraw/zinc/22/60/41/459226041.db2.gz PSXNVPFDKWTSTF-NEPJUHHUSA-N 1 1 331.372 3.419 10 5 EGBEMO Cc1noc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000595314137 459274468 /nfs/dbraw/zinc/27/44/68/459274468.db2.gz ZYXGZIOFFLCDQC-UHFFFAOYSA-N 1 1 337.420 3.451 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000523039273 459277803 /nfs/dbraw/zinc/27/78/03/459277803.db2.gz FHQDQMHZVZWRCU-UHFFFAOYSA-N 1 1 333.432 3.096 10 5 EGBEMO CN1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000560546065 459371209 /nfs/dbraw/zinc/37/12/09/459371209.db2.gz PRZTYWNBYMLHDQ-FHWLQOOXSA-N 1 1 331.460 3.380 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000595733893 459418691 /nfs/dbraw/zinc/41/86/91/459418691.db2.gz JTCYNXDYNAFOLO-BRWVUGGUSA-N 1 1 332.400 3.149 10 5 EGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595750839 459425439 /nfs/dbraw/zinc/42/54/39/459425439.db2.gz OKQAIJCUERSLBK-GOSISDBHSA-N 1 1 334.416 3.119 10 5 EGBEMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591917719 459483756 /nfs/dbraw/zinc/48/37/56/459483756.db2.gz BHKRBMUQRVXWEQ-OAHLLOKOSA-N 1 1 344.459 3.037 10 5 EGBEMO CCC[N@H+]1CC[C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596089980 459515941 /nfs/dbraw/zinc/51/59/41/459515941.db2.gz SCTZCYFZKYEZTI-NSHDSACASA-N 1 1 327.812 3.401 10 5 EGBEMO CCc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000542212089 459535092 /nfs/dbraw/zinc/53/50/92/459535092.db2.gz BMUXXIQMDLZDAP-QGZVFWFLSA-N 1 1 344.411 3.029 10 5 EGBEMO CC(C)NC(=O)c1ccc(NC[C@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596308829 459592734 /nfs/dbraw/zinc/59/27/34/459592734.db2.gz WEXJBKDBBKENER-CQSZACIVSA-N 1 1 348.447 3.018 10 5 EGBEMO CCC[C@H](C)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000501033452 459706680 /nfs/dbraw/zinc/70/66/80/459706680.db2.gz DSNQLPPTHMGPFS-ZDUSSCGKSA-N 1 1 331.420 3.172 10 5 EGBEMO Cc1cccc2c1cc[nH+]c2N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000584407760 459730783 /nfs/dbraw/zinc/73/07/83/459730783.db2.gz YVJXBANJYALLGH-UHFFFAOYSA-N 1 1 337.383 3.489 10 5 EGBEMO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000573991500 459766325 /nfs/dbraw/zinc/76/63/25/459766325.db2.gz XIPGBIPJSOQFPR-UHFFFAOYSA-N 1 1 332.356 3.308 10 5 EGBEMO COc1ccccc1[C@H](C[N+](=O)[O-])[C@H]1CCCC=C1[NH+]1CCOCC1 ZINC000584653846 459778898 /nfs/dbraw/zinc/77/88/98/459778898.db2.gz JKWJLOFTSVQTOO-NVXWUHKLSA-N 1 1 346.427 3.072 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)o1 ZINC000597231635 459886163 /nfs/dbraw/zinc/88/61/63/459886163.db2.gz PCMUBIDWQZLXLT-ZIAGYGMSSA-N 1 1 328.368 3.323 10 5 EGBEMO C[C@H]1c2ccccc2OCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609145500 459912463 /nfs/dbraw/zinc/91/24/63/459912463.db2.gz GUWISHZIBWIGDO-AWEZNQCLSA-N 1 1 328.368 3.429 10 5 EGBEMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC1(F)F ZINC000588232731 459935189 /nfs/dbraw/zinc/93/51/89/459935189.db2.gz ZPQHPXYSOBTHBQ-GXFFZTMASA-N 1 1 327.331 3.089 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[S@@]4=O)s2)cc1 ZINC000593687647 459951180 /nfs/dbraw/zinc/95/11/80/459951180.db2.gz LTVXOUKNERLPPK-HMFCALDFSA-N 1 1 348.449 3.029 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593695061 459954190 /nfs/dbraw/zinc/95/41/90/459954190.db2.gz GPHJBTNMGBLNCC-ZDUSSCGKSA-N 1 1 334.269 3.427 10 5 EGBEMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593695061 459954195 /nfs/dbraw/zinc/95/41/95/459954195.db2.gz GPHJBTNMGBLNCC-ZDUSSCGKSA-N 1 1 334.269 3.427 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597923180 460113779 /nfs/dbraw/zinc/11/37/79/460113779.db2.gz MLKRAJJYSBUNRF-GFCCVEGCSA-N 1 1 339.823 3.159 10 5 EGBEMO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598042716 460153033 /nfs/dbraw/zinc/15/30/33/460153033.db2.gz XCWIDUDZIHNTQF-HNNXBMFYSA-N 1 1 333.432 3.275 10 5 EGBEMO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611521530 460385495 /nfs/dbraw/zinc/38/54/95/460385495.db2.gz QMHVPXFVDYJPPC-BLLLJJGKSA-N 1 1 332.379 3.175 10 5 EGBEMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611521530 460385504 /nfs/dbraw/zinc/38/55/04/460385504.db2.gz QMHVPXFVDYJPPC-BLLLJJGKSA-N 1 1 332.379 3.175 10 5 EGBEMO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611521531 460386534 /nfs/dbraw/zinc/38/65/34/460386534.db2.gz QMHVPXFVDYJPPC-LRDDRELGSA-N 1 1 332.379 3.175 10 5 EGBEMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611521531 460386537 /nfs/dbraw/zinc/38/65/37/460386537.db2.gz QMHVPXFVDYJPPC-LRDDRELGSA-N 1 1 332.379 3.175 10 5 EGBEMO CSc1cccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600472463 460501169 /nfs/dbraw/zinc/50/11/69/460501169.db2.gz ZFSVHTSTDGTNCQ-CYBMUJFWSA-N 1 1 349.456 3.063 10 5 EGBEMO Cn1ncc(C2CCC2)c1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601195221 460747527 /nfs/dbraw/zinc/74/75/27/460747527.db2.gz HSBYCBYSBVPNGZ-UHFFFAOYSA-N 1 1 337.383 3.178 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH+]ccc(N3CCO[C@@H](CC(F)(F)F)C3)c2c1 ZINC000601199269 460748718 /nfs/dbraw/zinc/74/87/18/460748718.db2.gz RORJAZYQMMJZGX-NSHDSACASA-N 1 1 341.289 3.301 10 5 EGBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4c4cccnc34)[C@@H]2C1 ZINC000646937629 461459039 /nfs/dbraw/zinc/45/90/39/461459039.db2.gz PDMBAZXRQLCXHQ-HNAYVOBHSA-N 1 1 331.419 3.164 10 5 EGBEMO CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000301277534 1296786451 /nfs/dbraw/zinc/78/64/51/1296786451.db2.gz LUWMNFLLHRUTNH-QGZVFWFLSA-N 1 1 340.379 3.451 10 5 EGBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@H]3CCCC3(F)F)C2)nc1 ZINC000878251854 1299863853 /nfs/dbraw/zinc/86/38/53/1299863853.db2.gz UVSDRQBLMSQTIZ-CHWSQXEVSA-N 1 1 340.374 3.302 10 5 EGBEMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898463275 1310745108 /nfs/dbraw/zinc/74/51/08/1310745108.db2.gz XJSJXCKDDWKGAV-CYBMUJFWSA-N 1 1 342.399 3.346 10 5 EGBEMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858559577 1328795371 /nfs/dbraw/zinc/79/53/71/1328795371.db2.gz NCMKJKVTXHIDGJ-HUUCEWRRSA-N 1 1 339.395 3.105 10 5 EGBEMO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000862629807 1329500403 /nfs/dbraw/zinc/50/04/03/1329500403.db2.gz RMKFWKKZIKWUIL-HNNXBMFYSA-N 1 1 349.406 3.179 10 5 EGBEMO Cn1ccnc1[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000866403492 1330107491 /nfs/dbraw/zinc/10/74/91/1330107491.db2.gz QNYOCXBUQMWZAU-CZUORRHYSA-N 1 1 346.456 3.151 10 5 EGBEMO COCC[N@@H+](C)CCCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001184819143 1387544158 /nfs/dbraw/zinc/54/41/58/1387544158.db2.gz AMMNWWZBFTYATN-UHFFFAOYSA-N 1 1 336.219 3.282 10 5 EGBEMO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CC[N@H+]1C1CCCC1)CCCC2 ZINC001187242739 1388080104 /nfs/dbraw/zinc/08/01/04/1388080104.db2.gz MTXCFBHFFADFLI-OAHLLOKOSA-N 1 1 330.432 3.297 10 5 EGBEMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC001187662435 1388138784 /nfs/dbraw/zinc/13/87/84/1388138784.db2.gz BPXXPSHANZJCPV-RISCZKNCSA-N 1 1 330.363 3.300 10 5 EGBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC001132400382 1375353607 /nfs/dbraw/zinc/35/36/07/1375353607.db2.gz IKMRWKGTCCSGOJ-ZDUSSCGKSA-N 1 1 337.445 3.183 10 5 EGBEMO C[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](Cc2ccccc2)C1 ZINC001163662567 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CSC[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000075144097 453866585 /nfs/dbraw/zinc/86/65/85/453866585.db2.gz BKLWVYSOXSIKGW-ZDUSSCGKSA-N 1 1 347.440 3.477 10 5 EGBEMO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000054389584 453927402 /nfs/dbraw/zinc/92/74/02/453927402.db2.gz KVPNBWOQRGACQI-UHFFFAOYSA-N 1 1 333.413 3.101 10 5 EGBEMO CCc1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]n1 ZINC000069930495 454158855 /nfs/dbraw/zinc/15/88/55/454158855.db2.gz YGWVALBGBRCDMA-UHFFFAOYSA-N 1 1 326.356 3.430 10 5 EGBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090092854 454277519 /nfs/dbraw/zinc/27/75/19/454277519.db2.gz PKQALYDSZBNDCD-GDBMZVCRSA-N 1 1 338.411 3.330 10 5 EGBEMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090551285 454319473 /nfs/dbraw/zinc/31/94/73/454319473.db2.gz RHEBNGXLOYIRBV-XJKSGUPXSA-N 1 1 345.399 3.131 10 5 EGBEMO Cc1cc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000091628920 454451717 /nfs/dbraw/zinc/45/17/17/454451717.db2.gz RSNHDWFFOADQJT-AWEZNQCLSA-N 1 1 344.390 3.321 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000091631578 454452807 /nfs/dbraw/zinc/45/28/07/454452807.db2.gz MXKZYCWIBTZVNJ-ZDUSSCGKSA-N 1 1 345.378 3.040 10 5 EGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(F)c1 ZINC000091631578 454452813 /nfs/dbraw/zinc/45/28/13/454452813.db2.gz MXKZYCWIBTZVNJ-ZDUSSCGKSA-N 1 1 345.378 3.040 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176264367 454719349 /nfs/dbraw/zinc/71/93/49/454719349.db2.gz LJLSGNRXAMUOKD-GFCCVEGCSA-N 1 1 340.811 3.196 10 5 EGBEMO Cc1cc(C)c(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000600940096 460652514 /nfs/dbraw/zinc/65/25/14/460652514.db2.gz FYGSBXXKKADHEO-UHFFFAOYSA-N 1 1 348.424 3.338 10 5 EGBEMO Cc1cnn([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000177058907 454817374 /nfs/dbraw/zinc/81/73/74/454817374.db2.gz GIWMSTQNKSBQRU-AWEZNQCLSA-N 1 1 341.371 3.078 10 5 EGBEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)c1 ZINC000177058907 454817377 /nfs/dbraw/zinc/81/73/77/454817377.db2.gz GIWMSTQNKSBQRU-AWEZNQCLSA-N 1 1 341.371 3.078 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000143392932 454842740 /nfs/dbraw/zinc/84/27/40/454842740.db2.gz ZADUGIMPDSORFF-UHFFFAOYSA-N 1 1 342.399 3.075 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000143392932 454842743 /nfs/dbraw/zinc/84/27/43/454842743.db2.gz ZADUGIMPDSORFF-UHFFFAOYSA-N 1 1 342.399 3.075 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177960679 454922858 /nfs/dbraw/zinc/92/28/58/454922858.db2.gz WYUPOKGWQJZAJV-QGZVFWFLSA-N 1 1 343.383 3.042 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177960679 454922862 /nfs/dbraw/zinc/92/28/62/454922862.db2.gz WYUPOKGWQJZAJV-QGZVFWFLSA-N 1 1 343.383 3.042 10 5 EGBEMO Cc1ccc(OC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000182851469 455177265 /nfs/dbraw/zinc/17/72/65/455177265.db2.gz JEVVEVVJRLJCTP-UHFFFAOYSA-N 1 1 327.384 3.342 10 5 EGBEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190487600 455330702 /nfs/dbraw/zinc/33/07/02/455330702.db2.gz OIABSBKGFBBUPX-OAHLLOKOSA-N 1 1 346.456 3.005 10 5 EGBEMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccs1 ZINC000247459188 455604439 /nfs/dbraw/zinc/60/44/39/455604439.db2.gz QVUWVDSCSFCWIW-ABAIWWIYSA-N 1 1 349.412 3.062 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248387126 455710789 /nfs/dbraw/zinc/71/07/89/455710789.db2.gz AFTWOOMMCTXBNA-LESCRADOSA-N 1 1 347.459 3.105 10 5 EGBEMO O=C(c1cc2ccccc2c2cccnc12)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195331978 455945026 /nfs/dbraw/zinc/94/50/26/455945026.db2.gz DBSDBXHHLHRIIJ-MRXNPFEDSA-N 1 1 331.419 3.308 10 5 EGBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)nc1-c1ccccc1 ZINC000301896085 456244244 /nfs/dbraw/zinc/24/42/44/456244244.db2.gz YXHPPIZZVCKBFV-MRXNPFEDSA-N 1 1 338.411 3.331 10 5 EGBEMO Cc1cnc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908901 456247965 /nfs/dbraw/zinc/24/79/65/456247965.db2.gz RNJDHYLDVYETJQ-ZBFHGGJFSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cnc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000301908901 456247970 /nfs/dbraw/zinc/24/79/70/456247970.db2.gz RNJDHYLDVYETJQ-ZBFHGGJFSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908890 456248687 /nfs/dbraw/zinc/24/86/87/456248687.db2.gz RMWRYWPZRQBMMD-YOEHRIQHSA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)ncc1[N+](=O)[O-] ZINC000301908890 456248692 /nfs/dbraw/zinc/24/86/92/456248692.db2.gz RMWRYWPZRQBMMD-YOEHRIQHSA-N 1 1 348.353 3.434 10 5 EGBEMO CCOc1cc(N2CCC[C@H]2Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000301967964 456260513 /nfs/dbraw/zinc/26/05/13/456260513.db2.gz XKABPKFZHAVGOG-HNNXBMFYSA-N 1 1 330.388 3.167 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000340275076 456354455 /nfs/dbraw/zinc/35/44/55/456354455.db2.gz AWSLWNHYMNYWOW-MJGOQNOKSA-N 1 1 341.411 3.138 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000340275076 456354461 /nfs/dbraw/zinc/35/44/61/456354461.db2.gz AWSLWNHYMNYWOW-MJGOQNOKSA-N 1 1 341.411 3.138 10 5 EGBEMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343259951 456491018 /nfs/dbraw/zinc/49/10/18/456491018.db2.gz DACDETPLSOLOLQ-GOSISDBHSA-N 1 1 339.395 3.222 10 5 EGBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000310891796 456585693 /nfs/dbraw/zinc/58/56/93/456585693.db2.gz ZENARDGNMOQOHN-BRWVUGGUSA-N 1 1 338.411 3.312 10 5 EGBEMO CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000338992074 456889401 /nfs/dbraw/zinc/88/94/01/456889401.db2.gz DYGCYRCTEMMQDR-CQSZACIVSA-N 1 1 343.349 3.282 10 5 EGBEMO CC(C)(C)N1CC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000425474315 457569691 /nfs/dbraw/zinc/56/96/91/457569691.db2.gz INQXUBFFIARCSO-WBVHZDCISA-N 1 1 345.443 3.174 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364800334 457696168 /nfs/dbraw/zinc/69/61/68/457696168.db2.gz PCQSXKQCCIZRLV-AWEZNQCLSA-N 1 1 344.390 3.402 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371279737 457847976 /nfs/dbraw/zinc/84/79/76/457847976.db2.gz KRCSRDMVSUCDCE-VIFPVBQESA-N 1 1 337.177 3.050 10 5 EGBEMO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371279737 457847981 /nfs/dbraw/zinc/84/79/81/457847981.db2.gz KRCSRDMVSUCDCE-VIFPVBQESA-N 1 1 337.177 3.050 10 5 EGBEMO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458526882 458082005 /nfs/dbraw/zinc/08/20/05/458082005.db2.gz YIQKDHZYMRZNAH-SJORKVTESA-N 1 1 348.447 3.170 10 5 EGBEMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000464590086 458762230 /nfs/dbraw/zinc/76/22/30/458762230.db2.gz DTVJTNSXHJSQCR-OAHLLOKOSA-N 1 1 334.416 3.457 10 5 EGBEMO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591846 459100833 /nfs/dbraw/zinc/10/08/33/459100833.db2.gz MXBKHVPZSSQPFY-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591846 459100841 /nfs/dbraw/zinc/10/08/41/459100841.db2.gz MXBKHVPZSSQPFY-MELADBBJSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000559643149 459271335 /nfs/dbraw/zinc/27/13/35/459271335.db2.gz ZMYURVLCJUFAQJ-GASCZTMLSA-N 1 1 347.459 3.252 10 5 EGBEMO COc1ccc([C@@H](C)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000595423157 459295376 /nfs/dbraw/zinc/29/53/76/459295376.db2.gz JPGGBGKNENSQJO-ZDUSSCGKSA-N 1 1 327.384 3.160 10 5 EGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1nsc3ccccc13)CC2 ZINC000595423234 459296097 /nfs/dbraw/zinc/29/60/97/459296097.db2.gz KPFIAJSMTWEVMX-UHFFFAOYSA-N 1 1 340.408 3.200 10 5 EGBEMO NC(=O)c1ccc(C[N@H+]2CCCC3(CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000595641146 459380617 /nfs/dbraw/zinc/38/06/17/459380617.db2.gz CEDROXNSRNIBOQ-UHFFFAOYSA-N 1 1 331.416 3.240 10 5 EGBEMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000595687533 459397334 /nfs/dbraw/zinc/39/73/34/459397334.db2.gz BXPACXZULHNYAF-HDICACEKSA-N 1 1 343.383 3.108 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](CCF)C3)n2)c1 ZINC000595755548 459427786 /nfs/dbraw/zinc/42/77/86/459427786.db2.gz NUGSEWYXTWKZSK-GFCCVEGCSA-N 1 1 334.351 3.216 10 5 EGBEMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](CCF)C3)n2)c1 ZINC000595755548 459427789 /nfs/dbraw/zinc/42/77/89/459427789.db2.gz NUGSEWYXTWKZSK-GFCCVEGCSA-N 1 1 334.351 3.216 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595852198 459464594 /nfs/dbraw/zinc/46/45/94/459464594.db2.gz YWVRIQQDHUGMGG-CABCVRRESA-N 1 1 333.432 3.201 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595852262 459465236 /nfs/dbraw/zinc/46/52/36/459465236.db2.gz YWVRIQQDHUGMGG-HUUCEWRRSA-N 1 1 333.432 3.201 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](C4CC4)C3)o2)cc1 ZINC000485714871 459467230 /nfs/dbraw/zinc/46/72/30/459467230.db2.gz FOUOKUPTBXWIAL-SFHVURJKSA-N 1 1 328.368 3.466 10 5 EGBEMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](C4CC4)C3)o2)cc1 ZINC000485714871 459467234 /nfs/dbraw/zinc/46/72/34/459467234.db2.gz FOUOKUPTBXWIAL-SFHVURJKSA-N 1 1 328.368 3.466 10 5 EGBEMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596141265 459534721 /nfs/dbraw/zinc/53/47/21/459534721.db2.gz HSMUHDFLQRVHOF-LBPRGKRZSA-N 1 1 341.839 3.425 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596308704 459592334 /nfs/dbraw/zinc/59/23/34/459592334.db2.gz LJNGQRLDDVXHLC-VIFPVBQESA-N 1 1 332.326 3.293 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000596656437 459716756 /nfs/dbraw/zinc/71/67/56/459716756.db2.gz CFJJHWCZORVTFI-HNNXBMFYSA-N 1 1 348.447 3.002 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cccc(OC)c2)c1 ZINC000593020562 459742437 /nfs/dbraw/zinc/74/24/37/459742437.db2.gz OQAYHYRMEAGBJO-LBPRGKRZSA-N 1 1 344.367 3.241 10 5 EGBEMO CCC[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000501806121 459746394 /nfs/dbraw/zinc/74/63/94/459746394.db2.gz QZJAWNMPSLMOQB-YJBOKZPZSA-N 1 1 335.448 3.089 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000598465458 459903834 /nfs/dbraw/zinc/90/38/34/459903834.db2.gz NMJLGEJMBUYDHF-GFCCVEGCSA-N 1 1 339.411 3.074 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000598465461 459903907 /nfs/dbraw/zinc/90/39/07/459903907.db2.gz NMJLGEJMBUYDHF-LBPRGKRZSA-N 1 1 339.411 3.074 10 5 EGBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000609354372 459949726 /nfs/dbraw/zinc/94/97/26/459949726.db2.gz 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C/C=C\C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599690681 460312597 /nfs/dbraw/zinc/31/25/97/460312597.db2.gz PBRALZUXAWCZGA-VQTKUKTRSA-N 1 1 347.415 3.220 10 5 EGBEMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599689237 460312729 /nfs/dbraw/zinc/31/27/29/460312729.db2.gz HWJBWUKZARIMGU-INQOVCNISA-N 1 1 334.416 3.013 10 5 EGBEMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1OC ZINC000600190467 460430396 /nfs/dbraw/zinc/43/03/96/460430396.db2.gz PMOSVWYQIPPBFF-OLZOCXBDSA-N 1 1 338.429 3.082 10 5 EGBEMO CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1[N+](=O)[O-] ZINC000600206942 460440095 /nfs/dbraw/zinc/44/00/95/460440095.db2.gz IFIILAFPMYCRTG-USGALAMMSA-N 1 1 336.457 3.204 10 5 EGBEMO CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1[N+](=O)[O-] ZINC000600206942 460440100 /nfs/dbraw/zinc/44/01/00/460440100.db2.gz IFIILAFPMYCRTG-USGALAMMSA-N 1 1 336.457 3.204 10 5 EGBEMO O=[N+]([O-])c1ccc2[nH+]ccc(N[C@H](C3CC3)C3CCOCC3)c2c1 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C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000078689392 454300767 /nfs/dbraw/zinc/30/07/67/454300767.db2.gz ZFJPHCHBJMKRIF-OAHLLOKOSA-N 1 1 326.400 3.091 10 5 EGBEMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246204388 455447871 /nfs/dbraw/zinc/44/78/71/455447871.db2.gz MAIWKBHHARITLU-DZGCQCFKSA-N 1 1 333.432 3.075 10 5 EGBEMO Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000051422970 454624232 /nfs/dbraw/zinc/62/42/32/454624232.db2.gz SRUSNIFUZDFJNW-UHFFFAOYSA-N 1 1 341.411 3.348 10 5 EGBEMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000106866965 454724824 /nfs/dbraw/zinc/72/48/24/454724824.db2.gz TXAQVNROGQHPMI-HNNXBMFYSA-N 1 1 349.431 3.123 10 5 EGBEMO CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000106866965 454724827 /nfs/dbraw/zinc/72/48/27/454724827.db2.gz TXAQVNROGQHPMI-HNNXBMFYSA-N 1 1 349.431 3.123 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000137016189 454764859 /nfs/dbraw/zinc/76/48/59/454764859.db2.gz CQVRWCDABKWRFL-HUUCEWRRSA-N 1 1 333.413 3.312 10 5 EGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000137016189 454764863 /nfs/dbraw/zinc/76/48/63/454764863.db2.gz CQVRWCDABKWRFL-HUUCEWRRSA-N 1 1 333.413 3.312 10 5 EGBEMO Cc1cc(C)c(CS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000600941754 460654124 /nfs/dbraw/zinc/65/41/24/460654124.db2.gz IPXYGGUIHKQLDK-UHFFFAOYSA-N 1 1 334.397 3.030 10 5 EGBEMO C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000245561862 455330756 /nfs/dbraw/zinc/33/07/56/455330756.db2.gz CIUHOVIOGRUQBH-CRAIPNDOSA-N 1 1 344.415 3.143 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246138797 455434649 /nfs/dbraw/zinc/43/46/49/455434649.db2.gz NKFCCPNZEXKUDU-GJZGRUSLSA-N 1 1 326.400 3.485 10 5 EGBEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182109943 455438257 /nfs/dbraw/zinc/43/82/57/455438257.db2.gz MUFIFPGSZLQVNR-ZDUSSCGKSA-N 1 1 349.822 3.239 10 5 EGBEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182109943 455438262 /nfs/dbraw/zinc/43/82/62/455438262.db2.gz MUFIFPGSZLQVNR-ZDUSSCGKSA-N 1 1 349.822 3.239 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246468308 455495173 /nfs/dbraw/zinc/49/51/73/455495173.db2.gz GQEZBEDMVCYSBJ-WMLDXEAASA-N 1 1 335.448 3.156 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000182684453 455568045 /nfs/dbraw/zinc/56/80/45/455568045.db2.gz ITZRNNQMBVHQPB-CVEARBPZSA-N 1 1 347.459 3.149 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000182684453 455568049 /nfs/dbraw/zinc/56/80/49/455568049.db2.gz ITZRNNQMBVHQPB-CVEARBPZSA-N 1 1 347.459 3.149 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000301439140 456116286 /nfs/dbraw/zinc/11/62/86/456116286.db2.gz LRRKAOKHHRMRRJ-LBPRGKRZSA-N 1 1 325.384 3.419 10 5 EGBEMO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000301457413 456120706 /nfs/dbraw/zinc/12/07/06/456120706.db2.gz XIWAYRWGVNDNLI-VXGBXAGGSA-N 1 1 325.384 3.275 10 5 EGBEMO Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302185624 456309802 /nfs/dbraw/zinc/30/98/02/456309802.db2.gz PGPXOCNGERNKGJ-HNNXBMFYSA-N 1 1 326.400 3.126 10 5 EGBEMO Cc1cc(N2CC[N@H+]3CCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302185624 456309807 /nfs/dbraw/zinc/30/98/07/456309807.db2.gz PGPXOCNGERNKGJ-HNNXBMFYSA-N 1 1 326.400 3.126 10 5 EGBEMO CCOc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000298289844 456415644 /nfs/dbraw/zinc/41/56/44/456415644.db2.gz OYSUXCPMTIPWKL-CABCVRRESA-N 1 1 326.343 3.471 10 5 EGBEMO C[C@H]1C[NH+](C(C)(C)CNc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302853633 456416939 /nfs/dbraw/zinc/41/69/39/456416939.db2.gz JWWYAOIXJYPZGV-RYUDHWBXSA-N 1 1 325.384 3.034 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291243402 456576582 /nfs/dbraw/zinc/57/65/82/456576582.db2.gz LICIVVVBTBTPAU-LJQANCHMSA-N 1 1 326.396 3.039 10 5 EGBEMO CC[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1Cc1ccccc1 ZINC000353281517 456608125 /nfs/dbraw/zinc/60/81/25/456608125.db2.gz KJHVJBNEVQCDNJ-INIZCTEOSA-N 1 1 326.400 3.091 10 5 EGBEMO COc1cc(CNc2cccc(C3CC3)[nH+]2)c([N+](=O)[O-])cc1OC ZINC000339427987 457111710 /nfs/dbraw/zinc/11/17/10/457111710.db2.gz IEJMSEIHQYCVLW-UHFFFAOYSA-N 1 1 329.356 3.497 10 5 EGBEMO COc1cc(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000352524242 457438693 /nfs/dbraw/zinc/43/86/93/457438693.db2.gz ATAIKKGCIHHQHS-UXLLHSPISA-N 1 1 347.459 3.441 10 5 EGBEMO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000361249358 457665972 /nfs/dbraw/zinc/66/59/72/457665972.db2.gz FRAZDVJBZIXRDQ-HNNXBMFYSA-N 1 1 333.413 3.329 10 5 EGBEMO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000361249358 457665976 /nfs/dbraw/zinc/66/59/76/457665976.db2.gz FRAZDVJBZIXRDQ-HNNXBMFYSA-N 1 1 333.413 3.329 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000370724312 457706712 /nfs/dbraw/zinc/70/67/12/457706712.db2.gz KOPIBAMEHXMZLT-OAHLLOKOSA-N 1 1 327.384 3.063 10 5 EGBEMO COc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000370723814 457706970 /nfs/dbraw/zinc/70/69/70/457706970.db2.gz WSSWYWKMJRTYBR-MRXNPFEDSA-N 1 1 327.384 3.063 10 5 EGBEMO O=C(CC[N@H+](CC(F)F)CC1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411410736 457878869 /nfs/dbraw/zinc/87/88/69/457878869.db2.gz DSLSBKOUKHKCEK-UHFFFAOYSA-N 1 1 341.358 3.291 10 5 EGBEMO O=C(CC[N@@H+](CC(F)F)CC1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411410736 457878875 /nfs/dbraw/zinc/87/88/75/457878875.db2.gz DSLSBKOUKHKCEK-UHFFFAOYSA-N 1 1 341.358 3.291 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412049845 458068363 /nfs/dbraw/zinc/06/83/63/458068363.db2.gz XARGCIHSEHEBAH-VXGBXAGGSA-N 1 1 335.404 3.051 10 5 EGBEMO CC1=C[C@@H](C)C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000430874726 458499869 /nfs/dbraw/zinc/49/98/69/458499869.db2.gz GTGHSZKEOLKZMG-CYBMUJFWSA-N 1 1 326.400 3.393 10 5 EGBEMO CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000438475743 458582196 /nfs/dbraw/zinc/58/21/96/458582196.db2.gz DCPWMNQXIURNTE-NSHDSACASA-N 1 1 325.796 3.165 10 5 EGBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000476946768 459023199 /nfs/dbraw/zinc/02/31/99/459023199.db2.gz XPGCRDAVNKQYLY-UHFFFAOYSA-N 1 1 345.443 3.311 10 5 EGBEMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000567848609 459177440 /nfs/dbraw/zinc/17/74/40/459177440.db2.gz SCXTWZWRDGKWFG-HXUWFJFHSA-N 1 1 337.398 3.162 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000595097472 459244816 /nfs/dbraw/zinc/24/48/16/459244816.db2.gz IRRPATNKNFNLBL-GFCCVEGCSA-N 1 1 344.415 3.455 10 5 EGBEMO CN1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000560546066 459370686 /nfs/dbraw/zinc/37/06/86/459370686.db2.gz PRZTYWNBYMLHDQ-GBESFXJTSA-N 1 1 331.460 3.380 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cscn1 ZINC000595669540 459388935 /nfs/dbraw/zinc/38/89/35/459388935.db2.gz WITZUPLRLTYLFK-LLVKDONJSA-N 1 1 334.401 3.039 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000595831582 459458344 /nfs/dbraw/zinc/45/83/44/459458344.db2.gz FZMUECPEXGIFES-HNNXBMFYSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000595831582 459458350 /nfs/dbraw/zinc/45/83/50/459458350.db2.gz FZMUECPEXGIFES-HNNXBMFYSA-N 1 1 331.416 3.354 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000541769449 459490068 /nfs/dbraw/zinc/49/00/68/459490068.db2.gz XXTYSTYKCDIGAO-LJQANCHMSA-N 1 1 325.412 3.392 10 5 EGBEMO COc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596109273 459524250 /nfs/dbraw/zinc/52/42/50/459524250.db2.gz USBUZLRDRCAACY-JTQLQIEISA-N 1 1 336.779 3.364 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592131046 459531032 /nfs/dbraw/zinc/53/10/32/459531032.db2.gz RRYCNDUYJNPZSO-IYARVYRRSA-N 1 1 341.411 3.296 10 5 EGBEMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccnc1)[C@H]1CC[C@H](O)CC1 ZINC000592131046 459531039 /nfs/dbraw/zinc/53/10/39/459531039.db2.gz RRYCNDUYJNPZSO-IYARVYRRSA-N 1 1 341.411 3.296 10 5 EGBEMO Cc1cccc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596423224 459632604 /nfs/dbraw/zinc/63/26/04/459632604.db2.gz KGHLGTDVZQOSKE-QGZVFWFLSA-N 1 1 341.411 3.082 10 5 EGBEMO Cc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1[N+](=O)[O-] ZINC000596422162 459632784 /nfs/dbraw/zinc/63/27/84/459632784.db2.gz BPPPZIVLZTUDLV-GOSISDBHSA-N 1 1 341.411 3.082 10 5 EGBEMO CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@@H+](CC)C1 ZINC000596836791 459774702 /nfs/dbraw/zinc/77/47/02/459774702.db2.gz NPQYPYQCTMBDPR-AWEZNQCLSA-N 1 1 334.420 3.160 10 5 EGBEMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)s1 ZINC000597210429 459877707 /nfs/dbraw/zinc/87/77/07/459877707.db2.gz GZCGICPQIINZLM-YVEFUNNKSA-N 1 1 330.409 3.280 10 5 EGBEMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976037 459897999 /nfs/dbraw/zinc/89/79/99/459897999.db2.gz LCKCROLGONQEED-KXBFYZLASA-N 1 1 342.395 3.436 10 5 EGBEMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000608976037 459898007 /nfs/dbraw/zinc/89/80/07/459898007.db2.gz LCKCROLGONQEED-KXBFYZLASA-N 1 1 342.395 3.436 10 5 EGBEMO COc1ccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1[N+](=O)[O-] ZINC000609599046 459992336 /nfs/dbraw/zinc/99/23/36/459992336.db2.gz COXXFCMVMQFXCD-CQSZACIVSA-N 1 1 344.367 3.225 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cccc(C)c2)c1 ZINC000589495029 460095736 /nfs/dbraw/zinc/09/57/36/460095736.db2.gz OLTSADQLLYFSNH-UHFFFAOYSA-N 1 1 328.368 3.322 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cccc(C)c2)c1 ZINC000589495029 460095743 /nfs/dbraw/zinc/09/57/43/460095743.db2.gz OLTSADQLLYFSNH-UHFFFAOYSA-N 1 1 328.368 3.322 10 5 EGBEMO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000599079432 460154119 /nfs/dbraw/zinc/15/41/19/460154119.db2.gz FUJPZBZRYXTMOL-AWEZNQCLSA-N 1 1 340.427 3.454 10 5 EGBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H]2CCC[C@@H]21 ZINC000599650128 460298029 /nfs/dbraw/zinc/29/80/29/460298029.db2.gz CUKYQTGJQOPOEU-BFYDXBDKSA-N 1 1 332.400 3.067 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600228346 460450828 /nfs/dbraw/zinc/45/08/28/460450828.db2.gz KEYUOFZQAGKWGV-INIZCTEOSA-N 1 1 331.416 3.040 10 5 EGBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn2cccc(F)c2n1 ZINC000619846249 460454722 /nfs/dbraw/zinc/45/47/22/460454722.db2.gz ZEQJATBRSBVNMJ-UHFFFAOYSA-N 1 1 328.347 3.056 10 5 EGBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059639 460461490 /nfs/dbraw/zinc/46/14/90/460461490.db2.gz BRDVYTIBVKHBSB-DZGCQCFKSA-N 1 1 326.400 3.206 10 5 EGBEMO COC(=O)c1cc(NCCCCn2cc[nH+]c2C)cc(C)c1[N+](=O)[O-] ZINC000130903351 533892104 /nfs/dbraw/zinc/89/21/04/533892104.db2.gz JCCORZZHGMKTIE-UHFFFAOYSA-N 1 1 346.387 3.087 10 5 EGBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000270651311 518189867 /nfs/dbraw/zinc/18/98/67/518189867.db2.gz MOJGTDRLNBBJPR-WMZOPIPTSA-N 1 1 339.395 3.078 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156418 1296245075 /nfs/dbraw/zinc/24/50/75/1296245075.db2.gz ZLJQYYCQDUTXTA-MRXNPFEDSA-N 1 1 347.459 3.106 10 5 EGBEMO O=[N+]([O-])c1c(Cl)nccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000710565924 1298256698 /nfs/dbraw/zinc/25/66/98/1298256698.db2.gz MLRHXSVBAFBUSD-CYBMUJFWSA-N 1 1 333.775 3.297 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000859561989 1329018121 /nfs/dbraw/zinc/01/81/21/1329018121.db2.gz OZZHIXXZTPYZBT-DGCLKSJQSA-N 1 1 339.823 3.051 10 5 EGBEMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931371742 1329105516 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XTASOTLQWMKCDF-UHFFFAOYSA-N 1 1 345.399 3.009 10 5 EGBEMO Cc1cnc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001341111874 1390441887 /nfs/dbraw/zinc/44/18/87/1390441887.db2.gz NHWSRTCGQHSBOM-GOEBONIOSA-N 1 1 330.363 3.295 10 5 EGBEMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001351482291 1391643853 /nfs/dbraw/zinc/64/38/53/1391643853.db2.gz MYMSMGNGDVMGCE-KRWDZBQOSA-N 1 1 333.432 3.205 10 5 EGBEMO C[N@@H+](CCCNC(=O)/C=C\C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001689793487 1404138176 /nfs/dbraw/zinc/13/81/76/1404138176.db2.gz MKORESAWHQNPKC-KHPPLWFESA-N 1 1 333.432 3.135 10 5 EGBEMO C[N@@H+](CCCNC(=O)C1CC2(CCC2)C1)Cc1ccccc1[N+](=O)[O-] ZINC001712966309 1417520082 /nfs/dbraw/zinc/52/00/82/1417520082.db2.gz ZMWCIMPANHENEO-UHFFFAOYSA-N 1 1 345.443 3.113 10 5 EGBEMO CC(C)C(=O)N1CCC(CC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001715472579 1420151473 /nfs/dbraw/zinc/15/14/73/1420151473.db2.gz SKUADJVWORBGDC-UHFFFAOYSA-N 1 1 347.459 3.311 10 5 EGBEMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1=CCCCCC1 ZINC001715812847 1420353046 /nfs/dbraw/zinc/35/30/46/1420353046.db2.gz AIZJJRJWPZNFQJ-UHFFFAOYSA-N 1 1 345.443 3.376 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1=CCCCCC1 ZINC001715812847 1420353049 /nfs/dbraw/zinc/35/30/49/1420353049.db2.gz AIZJJRJWPZNFQJ-UHFFFAOYSA-N 1 1 345.443 3.376 10 5 EGBEMO CC(C)C(C)(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001716683894 1420838025 /nfs/dbraw/zinc/83/80/25/1420838025.db2.gz UTPMVBMKJRBXJF-UHFFFAOYSA-N 1 1 339.461 3.077 10 5 EGBEMO CC/C(C)=C/C(=O)N(C)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001717206131 1421176288 /nfs/dbraw/zinc/17/62/88/1421176288.db2.gz CCFWWMJBCWZXRC-FYWRMAATSA-N 1 1 333.432 3.231 10 5 EGBEMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003327016 210008230 /nfs/dbraw/zinc/00/82/30/210008230.db2.gz QPICZOUGTVPHPE-LLVKDONJSA-N 1 1 342.852 3.019 10 5 EGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246683425 243294027 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CO[C@H](C)C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000340850271 274075143 /nfs/dbraw/zinc/07/51/43/274075143.db2.gz OLNBOLKXJYVMJS-CYBMUJFWSA-N 1 1 333.388 3.495 10 5 EGBEMO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596688 275129387 /nfs/dbraw/zinc/12/93/87/275129387.db2.gz QPLOQHOJXRJAGV-JTQLQIEISA-N 1 1 328.210 3.254 10 5 EGBEMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596688 275129389 /nfs/dbraw/zinc/12/93/89/275129389.db2.gz QPLOQHOJXRJAGV-JTQLQIEISA-N 1 1 328.210 3.254 10 5 EGBEMO CC1(C)CN(c2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000355253350 276136011 /nfs/dbraw/zinc/13/60/11/276136011.db2.gz KBHSFZWZFGCISA-UHFFFAOYSA-N 1 1 326.400 3.091 10 5 EGBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000288776151 276251649 /nfs/dbraw/zinc/25/16/49/276251649.db2.gz BKNMLTUBEFCQIK-GXTWGEPZSA-N 1 1 347.415 3.052 10 5 EGBEMO CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120046461 276354665 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3.411 10 5 EGBEMO Cc1c(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271625 310169018 /nfs/dbraw/zinc/16/90/18/310169018.db2.gz VFQULMBQYVGANM-MJGOQNOKSA-N 1 1 344.386 3.203 10 5 EGBEMO Cc1c(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000451271625 310169019 /nfs/dbraw/zinc/16/90/19/310169019.db2.gz VFQULMBQYVGANM-MJGOQNOKSA-N 1 1 344.386 3.203 10 5 EGBEMO CCn1nccc1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543475 310184558 /nfs/dbraw/zinc/18/45/58/310184558.db2.gz BXVLDVDRVZZPJP-INIZCTEOSA-N 1 1 328.416 3.233 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451872368 310201339 /nfs/dbraw/zinc/20/13/39/310201339.db2.gz MGONQYKATXLMHH-STQMWFEESA-N 1 1 345.365 3.472 10 5 EGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451872368 310201340 /nfs/dbraw/zinc/20/13/40/310201340.db2.gz MGONQYKATXLMHH-STQMWFEESA-N 1 1 345.365 3.472 10 5 EGBEMO CC[C@@H]1CC[C@H](C)[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451956799 310204962 /nfs/dbraw/zinc/20/49/62/310204962.db2.gz RUYKQNPXJOKNMY-UONOGXRCSA-N 1 1 347.415 3.403 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487714480 311034827 /nfs/dbraw/zinc/03/48/27/311034827.db2.gz ABBULALOANNOOG-UHFFFAOYSA-N 1 1 337.383 3.489 10 5 EGBEMO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000487718755 311035239 /nfs/dbraw/zinc/03/52/39/311035239.db2.gz FPWCMGUGUHEQAR-HUUCEWRRSA-N 1 1 348.447 3.138 10 5 EGBEMO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494673389 311501662 /nfs/dbraw/zinc/50/16/62/311501662.db2.gz PZMQYMGYBZINPU-LBPRGKRZSA-N 1 1 326.805 3.441 10 5 EGBEMO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000505595225 312027370 /nfs/dbraw/zinc/02/73/70/312027370.db2.gz BYJJZABMZMRGCV-UHFFFAOYSA-N 1 1 329.375 3.052 10 5 EGBEMO Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000526017470 312783375 /nfs/dbraw/zinc/78/33/75/312783375.db2.gz QSPODKDGNGPUHQ-AWEZNQCLSA-N 1 1 342.399 3.067 10 5 EGBEMO COc1cccc([N+](=O)[O-])c1N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000566481963 316484877 /nfs/dbraw/zinc/48/48/77/316484877.db2.gz JLRMIXJDKDZYTL-UHFFFAOYSA-N 1 1 343.383 3.355 10 5 EGBEMO C[C@H](O)[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1F ZINC000572984961 317421394 /nfs/dbraw/zinc/42/13/94/317421394.db2.gz UCVHAPYQYXACBU-SDDDUWNISA-N 1 1 330.359 3.433 10 5 EGBEMO CCC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000350645605 324110947 /nfs/dbraw/zinc/11/09/47/324110947.db2.gz RRVJPFXFDAEMBX-CQSZACIVSA-N 1 1 346.387 3.124 10 5 EGBEMO Cc1sc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000054286532 453921191 /nfs/dbraw/zinc/92/11/91/453921191.db2.gz KAEKORPMJTWFOG-LLVKDONJSA-N 1 1 339.461 3.205 10 5 EGBEMO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000075799844 453926807 /nfs/dbraw/zinc/92/68/07/453926807.db2.gz FCFAIZIDGWDRAY-UHFFFAOYSA-N 1 1 339.439 3.392 10 5 EGBEMO C[C@H]1C[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000089908026 454231632 /nfs/dbraw/zinc/23/16/32/454231632.db2.gz QKPOGSJDFQUVAQ-SUMWQHHRSA-N 1 1 344.415 3.164 10 5 EGBEMO Cc1[nH+]ccn1-c1ncccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000047174450 454335701 /nfs/dbraw/zinc/33/57/01/454335701.db2.gz CZHBNMQHKQRJCB-BQYQJAHWSA-N 1 1 349.350 3.136 10 5 EGBEMO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074763972 454631194 /nfs/dbraw/zinc/63/11/94/454631194.db2.gz RIHOCNPLDRXEJR-HOCLYGCPSA-N 1 1 341.415 3.016 10 5 EGBEMO Cc1nc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000105866447 454660979 /nfs/dbraw/zinc/66/09/79/454660979.db2.gz QMBBMFAVPPKXSA-UHFFFAOYSA-N 1 1 346.456 3.068 10 5 EGBEMO Cc1nc(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000105866447 454660986 /nfs/dbraw/zinc/66/09/86/454660986.db2.gz QMBBMFAVPPKXSA-UHFFFAOYSA-N 1 1 346.456 3.068 10 5 EGBEMO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000093104434 454683522 /nfs/dbraw/zinc/68/35/22/454683522.db2.gz FLUIBCZRNOOBSR-QGZVFWFLSA-N 1 1 339.395 3.141 10 5 EGBEMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000093104434 454683527 /nfs/dbraw/zinc/68/35/27/454683527.db2.gz FLUIBCZRNOOBSR-QGZVFWFLSA-N 1 1 339.395 3.141 10 5 EGBEMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000153792968 454834181 /nfs/dbraw/zinc/83/41/81/454834181.db2.gz ZFIKQDKUMBQMCC-GFCCVEGCSA-N 1 1 339.461 3.029 10 5 EGBEMO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000154674564 454918315 /nfs/dbraw/zinc/91/83/15/454918315.db2.gz HHJMSNBTGIDIAQ-CQSZACIVSA-N 1 1 334.420 3.145 10 5 EGBEMO CO[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000189342380 455180982 /nfs/dbraw/zinc/18/09/82/455180982.db2.gz AVDYPZLVFIXKGJ-LRDDRELGSA-N 1 1 331.372 3.107 10 5 EGBEMO CO[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000189342380 455180988 /nfs/dbraw/zinc/18/09/88/455180988.db2.gz AVDYPZLVFIXKGJ-LRDDRELGSA-N 1 1 331.372 3.107 10 5 EGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000245382301 455283292 /nfs/dbraw/zinc/28/32/92/455283292.db2.gz IHJKCEHZDXDTHT-CJNGLKHVSA-N 1 1 328.368 3.428 10 5 EGBEMO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1nccs1 ZINC000159914832 455415500 /nfs/dbraw/zinc/41/55/00/455415500.db2.gz SZHHUSUTQHIUQQ-UHFFFAOYSA-N 1 1 335.429 3.383 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182218645 455463609 /nfs/dbraw/zinc/46/36/09/455463609.db2.gz CXHJTFANECPVEC-LBPRGKRZSA-N 1 1 340.807 3.412 10 5 EGBEMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182218645 455463613 /nfs/dbraw/zinc/46/36/13/455463613.db2.gz CXHJTFANECPVEC-LBPRGKRZSA-N 1 1 340.807 3.412 10 5 EGBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000246771022 455523088 /nfs/dbraw/zinc/52/30/88/455523088.db2.gz AWZYODFVRNDCLI-ZFWWWQNUSA-N 1 1 345.443 3.201 10 5 EGBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000270481693 455965252 /nfs/dbraw/zinc/96/52/52/455965252.db2.gz FWKPPTCTYZDSAX-QGZVFWFLSA-N 1 1 345.374 3.123 10 5 EGBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000289862378 456159899 /nfs/dbraw/zinc/15/98/99/456159899.db2.gz RDAYDBLVFMVGBR-GXTWGEPZSA-N 1 1 334.420 3.104 10 5 EGBEMO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000189094134 456224520 /nfs/dbraw/zinc/22/45/20/456224520.db2.gz SIDCFVKRZZXVAG-LBPRGKRZSA-N 1 1 345.424 3.034 10 5 EGBEMO C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000189094134 456224524 /nfs/dbraw/zinc/22/45/24/456224524.db2.gz SIDCFVKRZZXVAG-LBPRGKRZSA-N 1 1 345.424 3.034 10 5 EGBEMO Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903506 456246741 /nfs/dbraw/zinc/24/67/41/456246741.db2.gz OYBMHBZWTSVIBX-WMLDXEAASA-N 1 1 348.353 3.434 10 5 EGBEMO Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301903506 456246743 /nfs/dbraw/zinc/24/67/43/456246743.db2.gz OYBMHBZWTSVIBX-WMLDXEAASA-N 1 1 348.353 3.434 10 5 EGBEMO CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000302134186 456295785 /nfs/dbraw/zinc/29/57/85/456295785.db2.gz CVSMJSJQBYXPMK-UHFFFAOYSA-N 1 1 327.331 3.260 10 5 EGBEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302182852 456309342 /nfs/dbraw/zinc/30/93/42/456309342.db2.gz RKEOFOFVWDBCOZ-KBXCAEBGSA-N 1 1 341.411 3.020 10 5 EGBEMO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000349344259 456947822 /nfs/dbraw/zinc/94/78/22/456947822.db2.gz RLYRBPJVZXIIEY-FZMZJTMJSA-N 1 1 336.413 3.439 10 5 EGBEMO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000354078998 457048549 /nfs/dbraw/zinc/04/85/49/457048549.db2.gz BFWKUUFKFWEYPX-LBPRGKRZSA-N 1 1 329.322 3.287 10 5 EGBEMO CCOc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000331186434 457143303 /nfs/dbraw/zinc/14/33/03/457143303.db2.gz TWTLOKDBJWBCJY-ZBFHGGJFSA-N 1 1 336.432 3.222 10 5 EGBEMO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000354418828 457210156 /nfs/dbraw/zinc/21/01/56/457210156.db2.gz JARRXZHAZGFNQN-CQSZACIVSA-N 1 1 346.818 3.354 10 5 EGBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC000352550516 457459941 /nfs/dbraw/zinc/45/99/41/457459941.db2.gz OGYNNEYKRJKQJL-UHFFFAOYSA-N 1 1 328.368 3.041 10 5 EGBEMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000342697975 457462429 /nfs/dbraw/zinc/46/24/29/457462429.db2.gz FAVHLTRPEJIPTH-GJZGRUSLSA-N 1 1 349.431 3.060 10 5 EGBEMO COc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411284499 457850125 /nfs/dbraw/zinc/85/01/25/457850125.db2.gz SGHMQQDKZNTKQS-ZDUSSCGKSA-N 1 1 335.404 3.197 10 5 EGBEMO CCC[N@@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411366330 457866112 /nfs/dbraw/zinc/86/61/12/457866112.db2.gz JHVRAPQMOYNLIM-CABCVRRESA-N 1 1 349.431 3.203 10 5 EGBEMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000371744655 458057743 /nfs/dbraw/zinc/05/77/43/458057743.db2.gz ATOJSXYAVMDPPF-MJGOQNOKSA-N 1 1 326.396 3.426 10 5 EGBEMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000428453199 458145080 /nfs/dbraw/zinc/14/50/80/458145080.db2.gz ARKOQBOKNGMMCK-SJKOYZFVSA-N 1 1 346.383 3.066 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOc1ccc(C)cc1 ZINC000430193507 458418840 /nfs/dbraw/zinc/41/88/40/458418840.db2.gz GKKVMZCXNZMKNO-UHFFFAOYSA-N 1 1 330.384 3.423 10 5 EGBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCOc1ccc(C)cc1 ZINC000430193507 458418842 /nfs/dbraw/zinc/41/88/42/458418842.db2.gz GKKVMZCXNZMKNO-UHFFFAOYSA-N 1 1 330.384 3.423 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249182 458428432 /nfs/dbraw/zinc/42/84/32/458428432.db2.gz IBAWZDGNFJWOEZ-BASYENTBSA-N 1 1 334.416 3.314 10 5 EGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430249182 458428434 /nfs/dbraw/zinc/42/84/34/458428434.db2.gz IBAWZDGNFJWOEZ-BASYENTBSA-N 1 1 334.416 3.314 10 5 EGBEMO CN(C(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430326447 458439140 /nfs/dbraw/zinc/43/91/40/458439140.db2.gz JWWSKOPVKKUVTH-CQSZACIVSA-N 1 1 345.424 3.141 10 5 EGBEMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000430326447 458439144 /nfs/dbraw/zinc/43/91/44/458439144.db2.gz JWWSKOPVKKUVTH-CQSZACIVSA-N 1 1 345.424 3.141 10 5 EGBEMO CC[N@H+]1CC[C@@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000473517000 458832845 /nfs/dbraw/zinc/83/28/45/458832845.db2.gz FUNLHZGOUPKZPR-CZUORRHYSA-N 1 1 328.416 3.310 10 5 EGBEMO CCc1cccc(F)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000474280637 458874382 /nfs/dbraw/zinc/87/43/82/458874382.db2.gz OCOXOKSSZRZMFI-CQSZACIVSA-N 1 1 344.390 3.378 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475613139 458954469 /nfs/dbraw/zinc/95/44/69/458954469.db2.gz AIVHMUCSTRMLMD-RNYZQXAPSA-N 1 1 346.427 3.268 10 5 EGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475613139 458954474 /nfs/dbraw/zinc/95/44/74/458954474.db2.gz AIVHMUCSTRMLMD-RNYZQXAPSA-N 1 1 346.427 3.268 10 5 EGBEMO COc1ccc(-c2ccc(C[NH2+]CCCN3CCC3)o2)c([N+](=O)[O-])c1 ZINC000594499097 459062967 /nfs/dbraw/zinc/06/29/67/459062967.db2.gz CIZYIXTVDORJEA-UHFFFAOYSA-N 1 1 345.399 3.049 10 5 EGBEMO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591845 459100787 /nfs/dbraw/zinc/10/07/87/459100787.db2.gz MXBKHVPZSSQPFY-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591845 459100794 /nfs/dbraw/zinc/10/07/94/459100794.db2.gz MXBKHVPZSSQPFY-MCIONIFRSA-N 1 1 344.415 3.053 10 5 EGBEMO Cc1noc(CN[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1[N+](=O)[O-] ZINC000595421770 459295659 /nfs/dbraw/zinc/29/56/59/459295659.db2.gz UROTZDAGOHWLAC-NSHDSACASA-N 1 1 341.371 3.236 10 5 EGBEMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595470269 459314116 /nfs/dbraw/zinc/31/41/16/459314116.db2.gz NUUWLNVGIRSNGO-ANRZDRKOSA-N 1 1 336.407 3.495 10 5 EGBEMO CCc1nc([C@@H](C)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000595519750 459331339 /nfs/dbraw/zinc/33/13/39/459331339.db2.gz CCDWIPVCKZDLEF-OCCSQVGLSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519750 459331346 /nfs/dbraw/zinc/33/13/46/459331346.db2.gz CCDWIPVCKZDLEF-OCCSQVGLSA-N 1 1 329.404 3.216 10 5 EGBEMO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000595519750 459331349 /nfs/dbraw/zinc/33/13/49/459331349.db2.gz CCDWIPVCKZDLEF-OCCSQVGLSA-N 1 1 329.404 3.216 10 5 EGBEMO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978486 459482181 /nfs/dbraw/zinc/48/21/81/459482181.db2.gz JMFFOGVFZFMWDT-ZBFHGGJFSA-N 1 1 334.326 3.125 10 5 EGBEMO C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485978486 459482187 /nfs/dbraw/zinc/48/21/87/459482187.db2.gz JMFFOGVFZFMWDT-ZBFHGGJFSA-N 1 1 334.326 3.125 10 5 EGBEMO CO[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000592132720 459532695 /nfs/dbraw/zinc/53/26/95/459532695.db2.gz NDMNSCVKSPUBLD-LNLFQRSKSA-N 1 1 348.443 3.125 10 5 EGBEMO CCc1[nH+]ccn1[C@H](C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592773185 459688543 /nfs/dbraw/zinc/68/85/43/459688543.db2.gz YCSLYVXOSWJQSH-CYBMUJFWSA-N 1 1 344.415 3.356 10 5 EGBEMO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593022754 459743786 /nfs/dbraw/zinc/74/37/86/459743786.db2.gz JSVJJFNRGIGNOZ-LBPRGKRZSA-N 1 1 343.383 3.190 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c(F)c1 ZINC000586769528 459868545 /nfs/dbraw/zinc/86/85/45/459868545.db2.gz HYGLGEXZGPBRSW-CYBMUJFWSA-N 1 1 333.338 3.333 10 5 EGBEMO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(F)c1 ZINC000586769528 459868551 /nfs/dbraw/zinc/86/85/51/459868551.db2.gz HYGLGEXZGPBRSW-CYBMUJFWSA-N 1 1 333.338 3.333 10 5 EGBEMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465969 459898316 /nfs/dbraw/zinc/89/83/16/459898316.db2.gz DJIDNHGMSJGJRE-DYVFJYSZSA-N 1 1 326.400 3.064 10 5 EGBEMO C[N@H+]1CCCC12CCN(c1ccnc3cc([N+](=O)[O-])ccc31)CC2 ZINC000593469218 459898948 /nfs/dbraw/zinc/89/89/48/459898948.db2.gz JBNKKRIOKBRGOC-UHFFFAOYSA-N 1 1 326.400 3.208 10 5 EGBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598466794 459904968 /nfs/dbraw/zinc/90/49/68/459904968.db2.gz VMMSOOQOEVYGNZ-UHFFFAOYSA-N 1 1 341.839 3.027 10 5 EGBEMO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858140 460082343 /nfs/dbraw/zinc/08/23/43/460082343.db2.gz KIIBWMUCFACNQC-AWEZNQCLSA-N 1 1 333.432 3.321 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000589514082 460098636 /nfs/dbraw/zinc/09/86/36/460098636.db2.gz BKBJASCFUKXTEI-CABZTGNLSA-N 1 1 346.305 3.154 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000589514082 460098638 /nfs/dbraw/zinc/09/86/38/460098638.db2.gz BKBJASCFUKXTEI-CABZTGNLSA-N 1 1 346.305 3.154 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000589514077 460099221 /nfs/dbraw/zinc/09/92/21/460099221.db2.gz BKBJASCFUKXTEI-BXKDBHETSA-N 1 1 346.305 3.154 10 5 EGBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000589514077 460099224 /nfs/dbraw/zinc/09/92/24/460099224.db2.gz BKBJASCFUKXTEI-BXKDBHETSA-N 1 1 346.305 3.154 10 5 EGBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)nc1-c1ccc(F)cc1 ZINC000576327968 460117773 /nfs/dbraw/zinc/11/77/73/460117773.db2.gz GXTKEYJVURYAEA-OAHLLOKOSA-N 1 1 342.374 3.080 10 5 EGBEMO COc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598993634 460120752 /nfs/dbraw/zinc/12/07/52/460120752.db2.gz YYUAOBFQDNLKGM-MRXNPFEDSA-N 1 1 333.432 3.100 10 5 EGBEMO COc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000598993634 460120761 /nfs/dbraw/zinc/12/07/61/460120761.db2.gz YYUAOBFQDNLKGM-MRXNPFEDSA-N 1 1 333.432 3.100 10 5 EGBEMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000598038926 460150987 /nfs/dbraw/zinc/15/09/87/460150987.db2.gz HKVNWCGEKOFVFL-AEFFLSMTSA-N 1 1 347.459 3.106 10 5 EGBEMO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598040927 460151484 /nfs/dbraw/zinc/15/14/84/460151484.db2.gz JJKDGBMWYBUTDM-CQSZACIVSA-N 1 1 347.440 3.366 10 5 EGBEMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000599448908 460256218 /nfs/dbraw/zinc/25/62/18/460256218.db2.gz CZZTUFCKNKVNSA-CYBMUJFWSA-N 1 1 343.383 3.278 10 5 EGBEMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000599448908 460256219 /nfs/dbraw/zinc/25/62/19/460256219.db2.gz CZZTUFCKNKVNSA-CYBMUJFWSA-N 1 1 343.383 3.278 10 5 EGBEMO COC(=O)C1C[C@H](C)[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000599697516 460314740 /nfs/dbraw/zinc/31/47/40/460314740.db2.gz RJECJTAOCOPHHJ-QWRGUYRKSA-N 1 1 340.807 3.410 10 5 EGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599779755 460332878 /nfs/dbraw/zinc/33/28/78/460332878.db2.gz JTIKZSMPYKATDH-HNNXBMFYSA-N 1 1 332.404 3.042 10 5 EGBEMO C[N@@H+]1CCC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000611518737 460385453 /nfs/dbraw/zinc/38/54/53/460385453.db2.gz MVQPNVQESIBWNH-HKUYNNGSSA-N 1 1 325.412 3.368 10 5 EGBEMO C[N@H+]1CCC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000611518737 460385461 /nfs/dbraw/zinc/38/54/61/460385461.db2.gz MVQPNVQESIBWNH-HKUYNNGSSA-N 1 1 325.412 3.368 10 5 EGBEMO COC[C@@]1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600212815 460443593 /nfs/dbraw/zinc/44/35/93/460443593.db2.gz IAGIFAQQMJSSIT-GOSISDBHSA-N 1 1 346.383 3.092 10 5 EGBEMO COC[C@@]1(C)C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600212815 460443598 /nfs/dbraw/zinc/44/35/98/460443598.db2.gz IAGIFAQQMJSSIT-GOSISDBHSA-N 1 1 346.383 3.092 10 5 EGBEMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600314794 460471369 /nfs/dbraw/zinc/47/13/69/460471369.db2.gz PPJHOPBXLJBIMC-GFCCVEGCSA-N 1 1 339.823 3.018 10 5 EGBEMO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000601162364 460735879 /nfs/dbraw/zinc/73/58/79/460735879.db2.gz MGZSVTMXSSCLOI-LBPRGKRZSA-N 1 1 345.378 3.046 10 5 EGBEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601664154 460862158 /nfs/dbraw/zinc/86/21/58/460862158.db2.gz JKGRVHQDHAHDCM-INIZCTEOSA-N 1 1 345.443 3.006 10 5 EGBEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174875148 528240859 /nfs/dbraw/zinc/24/08/59/528240859.db2.gz QXZBXUMCVSIQTI-CYBMUJFWSA-N 1 1 349.460 3.251 10 5 EGBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178308762 528612130 /nfs/dbraw/zinc/61/21/30/528612130.db2.gz AXDRSOLNKLNJKN-KRWDZBQOSA-N 1 1 344.415 3.163 10 5 EGBEMO CCn1c(C)cc(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000338365989 535963012 /nfs/dbraw/zinc/96/30/12/535963012.db2.gz VVBXMRYKFKPZOR-UHFFFAOYSA-N 1 1 343.427 3.390 10 5 EGBEMO CCn1c(C)cc(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000338365989 535963019 /nfs/dbraw/zinc/96/30/19/535963019.db2.gz VVBXMRYKFKPZOR-UHFFFAOYSA-N 1 1 343.427 3.390 10 5 EGBEMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043408 1296692842 /nfs/dbraw/zinc/69/28/42/1296692842.db2.gz HWBQNRGBKATXIG-TZMCWYRMSA-N 1 1 349.406 3.176 10 5 EGBEMO CC(=O)c1c(N(C)CCC[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000882361211 1301933949 /nfs/dbraw/zinc/93/39/49/1301933949.db2.gz YACUNILPXIGHSM-UHFFFAOYSA-N 1 1 345.399 3.349 10 5 EGBEMO Cc1nnsc1[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929748388 1328686727 /nfs/dbraw/zinc/68/67/27/1328686727.db2.gz JDEWSBCAJBQYKS-GFCCVEGCSA-N 1 1 348.428 3.359 10 5 EGBEMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000858209303 1328712114 /nfs/dbraw/zinc/71/21/14/1328712114.db2.gz IAEZNASPXVSGHX-GFCCVEGCSA-N 1 1 348.712 3.338 10 5 EGBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000930085197 1328781246 /nfs/dbraw/zinc/78/12/46/1328781246.db2.gz APWDRZPSFHAWLM-CQSZACIVSA-N 1 1 336.436 3.039 10 5 EGBEMO O=[N+]([O-])CC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000930085197 1328781247 /nfs/dbraw/zinc/78/12/47/1328781247.db2.gz APWDRZPSFHAWLM-CQSZACIVSA-N 1 1 336.436 3.039 10 5 EGBEMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C1 ZINC000858912057 1328888673 /nfs/dbraw/zinc/88/86/73/1328888673.db2.gz SYPMDJQSDIQPSC-AWEZNQCLSA-N 1 1 341.411 3.210 10 5 EGBEMO C/C(=C\C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000863033489 1329524788 /nfs/dbraw/zinc/52/47/88/1329524788.db2.gz VOPCFSQEFFSOPQ-SZEUEKNRSA-N 1 1 343.427 3.131 10 5 EGBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC[C@@H]21 ZINC000866206429 1330078606 /nfs/dbraw/zinc/07/86/06/1330078606.db2.gz LAUCVFNHPAQHDI-MFKMUULPSA-N 1 1 329.322 3.144 10 5 EGBEMO Cc1cc(C)c(COC(=O)COc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000869314119 1330459827 /nfs/dbraw/zinc/45/98/27/1330459827.db2.gz LPQBZNLWWIQNNR-UHFFFAOYSA-N 1 1 330.340 3.037 10 5 EGBEMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001185685677 1387778673 /nfs/dbraw/zinc/77/86/73/1387778673.db2.gz RFTRYRGCTBFIHI-DZGCQCFKSA-N 1 1 339.823 3.304 10 5 EGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001198828264 1369123679 /nfs/dbraw/zinc/12/36/79/1369123679.db2.gz LAMGGNTWDGTWII-GOSISDBHSA-N 1 1 334.416 3.399 10 5 EGBEMO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CC[N@H+]1C1CCCC1)CCCC2 ZINC001187242738 1388079896 /nfs/dbraw/zinc/07/98/96/1388079896.db2.gz MTXCFBHFFADFLI-HNNXBMFYSA-N 1 1 330.432 3.297 10 5 EGBEMO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001187361746 1388099149 /nfs/dbraw/zinc/09/91/49/1388099149.db2.gz PJDUMXNBMHEJFF-HNNXBMFYSA-N 1 1 335.452 3.329 10 5 EGBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC001132400380 1375353805 /nfs/dbraw/zinc/35/38/05/1375353805.db2.gz IKMRWKGTCCSGOJ-CYBMUJFWSA-N 1 1 337.445 3.183 10 5 EGBEMO C[C@@H]1CN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC001163412771 1383046160 /nfs/dbraw/zinc/04/61/60/1383046160.db2.gz NVGALMGRYZDBOH-PHIMTYICSA-N 1 1 334.807 3.325 10 5 EGBEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001167475290 1383644941 /nfs/dbraw/zinc/64/49/41/1383644941.db2.gz ZFYYQTRSTRNVNI-DLBZAZTESA-N 1 1 336.432 3.499 10 5 EGBEMO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC001167477990 1383645625 /nfs/dbraw/zinc/64/56/25/1383645625.db2.gz JMFDRKAHVOUJJU-MNOVXSKESA-N 1 1 325.796 3.307 10 5 EGBEMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC001167477990 1383645629 /nfs/dbraw/zinc/64/56/29/1383645629.db2.gz JMFDRKAHVOUJJU-MNOVXSKESA-N 1 1 325.796 3.307 10 5 EGBEMO CC[N@H+](CCNC(=O)C1CCC=CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317490536 1385190423 /nfs/dbraw/zinc/19/04/23/1385190423.db2.gz ZBOHQJJYIYJHIZ-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CC[N@@H+](CCNC(=O)C1CCC=CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317490536 1385190424 /nfs/dbraw/zinc/19/04/24/1385190424.db2.gz ZBOHQJJYIYJHIZ-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCCC1 ZINC001319970329 1386427131 /nfs/dbraw/zinc/42/71/31/1386427131.db2.gz RNKVLCOWOFXOAM-UHFFFAOYSA-N 1 1 333.432 3.065 10 5 EGBEMO Cc1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC001322617755 1387214689 /nfs/dbraw/zinc/21/46/89/1387214689.db2.gz PGSRFZQPKNMSDX-LBPRGKRZSA-N 1 1 331.397 3.148 10 5 EGBEMO O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N1CC[NH+](C2CC2)CC1 ZINC001345464415 1390861200 /nfs/dbraw/zinc/86/12/00/1390861200.db2.gz AUUQMWNWEPTNQR-UHFFFAOYSA-N 1 1 340.383 3.060 10 5 EGBEMO Cc1sccc1C(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001479769968 1392377958 /nfs/dbraw/zinc/37/79/58/1392377958.db2.gz SOEFGWWDXWNUSY-UHFFFAOYSA-N 1 1 347.440 3.217 10 5 EGBEMO CC(C)(C)CC(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001691201706 1405142189 /nfs/dbraw/zinc/14/21/89/1405142189.db2.gz RWSQADMIAJFCCP-UHFFFAOYSA-N 1 1 333.432 3.112 10 5 EGBEMO CC(C)(C)CC(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001691201706 1405142191 /nfs/dbraw/zinc/14/21/91/1405142191.db2.gz RWSQADMIAJFCCP-UHFFFAOYSA-N 1 1 333.432 3.112 10 5 EGBEMO Cc1cc(C)c(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001712940692 1417502019 /nfs/dbraw/zinc/50/20/19/1417502019.db2.gz LUVFEWDFASEEGS-UHFFFAOYSA-N 1 1 345.399 3.057 10 5 EGBEMO Cc1cccc(C(=O)N(C)CC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001715509648 1420193440 /nfs/dbraw/zinc/19/34/40/1420193440.db2.gz NSKKNKWOFSCQQI-UHFFFAOYSA-N 1 1 341.411 3.107 10 5 EGBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C(C)(C)C1(C)C ZINC001715515659 1420200597 /nfs/dbraw/zinc/20/05/97/1420200597.db2.gz NVHHBMSVOVAXJW-UHFFFAOYSA-N 1 1 347.459 3.167 10 5 EGBEMO CC[N@@H+](CCCNC(=O)c1coc(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001731305264 1427246892 /nfs/dbraw/zinc/24/68/92/1427246892.db2.gz IJGLVBHBJSJHQQ-UHFFFAOYSA-N 1 1 345.399 3.138 10 5 EGBEMO CC(C)CCC(=O)NCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001734618752 1438188432 /nfs/dbraw/zinc/18/84/32/1438188432.db2.gz VPTVNVOGYYHSMH-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO CC(C)CCC(=O)NCC1=CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001734618752 1438188435 /nfs/dbraw/zinc/18/84/35/1438188435.db2.gz VPTVNVOGYYHSMH-UHFFFAOYSA-N 1 1 345.443 3.279 10 5 EGBEMO