smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC(N[C@@H]2CCOC2)C1 ZINC001458666458 1109928063 /nfs/dbraw/zinc/92/80/63/1109928063.db2.gz KCERHTWSNGUWCF-SNVBAGLBSA-N 0 3 348.790 2.364 10 5 EEBEHN C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1[C@H](C)CC[C@H]1C ZINC000157337730 292567181 /nfs/dbraw/zinc/56/71/81/292567181.db2.gz HPYVHUPFHYUGES-UPJWGTAASA-N 0 3 332.404 2.136 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000566259201 319266008 /nfs/dbraw/zinc/26/60/08/319266008.db2.gz QLHOJJJWWCCDPP-KRWDZBQOSA-N 0 3 325.368 2.222 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2nc(CNCCCn3ccnn3)cs2)c1 ZINC000184246299 323421491 /nfs/dbraw/zinc/42/14/91/323421491.db2.gz IUPFZTKJVOGNCT-UHFFFAOYSA-N 0 3 344.400 2.490 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000296028146 465056269 /nfs/dbraw/zinc/05/62/69/465056269.db2.gz ZNZRUGNRWBYLJY-UKRRQHHQSA-N 0 3 347.415 2.499 10 5 EEBEHN CN(C)C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000028881585 463235647 /nfs/dbraw/zinc/23/56/47/463235647.db2.gz LZSFQBBAUGUHGR-QGZVFWFLSA-N 0 3 343.383 2.393 10 5 EEBEHN CCCS(=O)(=O)C(C)C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071903353 463464619 /nfs/dbraw/zinc/46/46/19/463464619.db2.gz UJEIJPSQPAVHRD-VXGBXAGGSA-N 0 3 342.417 2.328 10 5 EEBEHN COCCN1CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171218014 463816606 /nfs/dbraw/zinc/81/66/06/463816606.db2.gz WOIXZWAHEPINQP-ZDUSSCGKSA-N 0 3 348.403 2.002 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261789966 463861555 /nfs/dbraw/zinc/86/15/55/463861555.db2.gz UIRDMKZRLUHOIF-UHFFFAOYSA-N 0 3 330.319 2.335 10 5 EEBEHN CC[C@H](NC[C@@H](O)COC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181546489 464504950 /nfs/dbraw/zinc/50/49/50/464504950.db2.gz CPJUSTQJPJBHEW-IKGGRYGDSA-N 0 3 338.404 2.192 10 5 EEBEHN CN(CC1CCN(C)CC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331104492 465934522 /nfs/dbraw/zinc/93/45/22/465934522.db2.gz FORXCRFIKINENX-UHFFFAOYSA-N 0 3 341.358 2.216 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000341055016 466545715 /nfs/dbraw/zinc/54/57/15/466545715.db2.gz HKEJSFRMVADNDI-GHMZBOCLSA-N 0 3 338.383 2.309 10 5 EEBEHN CCOc1cc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000372804192 466595691 /nfs/dbraw/zinc/59/56/91/466595691.db2.gz FEWIRSGPFVZHSI-GJZGRUSLSA-N 0 3 347.415 2.484 10 5 EEBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000408516308 466673294 /nfs/dbraw/zinc/67/32/94/466673294.db2.gz ATVFNSLGDUIDMM-HOTGVXAUSA-N 0 3 347.415 2.487 10 5 EEBEHN O=[N+]([O-])c1cccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000449357150 467633318 /nfs/dbraw/zinc/63/33/18/467633318.db2.gz BUGJKUVIHQEHNK-CYBMUJFWSA-N 0 3 332.381 2.256 10 5 EEBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590445674 468259329 /nfs/dbraw/zinc/25/93/29/468259329.db2.gz RIVIKFFHZRGSIR-ZOWXZIJZSA-N 0 3 335.429 2.238 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590446583 468259844 /nfs/dbraw/zinc/25/98/44/468259844.db2.gz UWFAHOGXNSICRD-SMDDNHRTSA-N 0 3 335.429 2.483 10 5 EEBEHN Nc1c(C(=O)NC[C@H]2CCN2C2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600472056 468567801 /nfs/dbraw/zinc/56/78/01/468567801.db2.gz MKFOARGEAHEUPM-GFCCVEGCSA-N 0 3 336.367 2.063 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)[C@@]1(O)CCOC1 ZINC000595046312 468747988 /nfs/dbraw/zinc/74/79/88/468747988.db2.gz PCBGUUVYSWFSNR-SJKOYZFVSA-N 0 3 338.404 2.432 10 5 EEBEHN C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1=CCN(C)CC1 ZINC000601139639 468757945 /nfs/dbraw/zinc/75/79/45/468757945.db2.gz LCTIESDYMYIGQN-QMMMGPOBSA-N 0 3 333.314 2.409 10 5 EEBEHN O=C(C[C@H]1NCc2ccccc21)NCCNc1ccccc1[N+](=O)[O-] ZINC000595248373 468792945 /nfs/dbraw/zinc/79/29/45/468792945.db2.gz FADKSSYITSWYDW-MRXNPFEDSA-N 0 3 340.383 2.358 10 5 EEBEHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258226 468795642 /nfs/dbraw/zinc/79/56/42/468795642.db2.gz SWMZXGOFJHPNLJ-KRWDZBQOSA-N 0 3 341.367 2.437 10 5 EEBEHN Cc1[nH]cnc1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571950373 468862587 /nfs/dbraw/zinc/86/25/87/468862587.db2.gz KGGMDYIJMOBAMQ-UHFFFAOYSA-N 0 3 327.344 2.009 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000593460367 468989586 /nfs/dbraw/zinc/98/95/86/468989586.db2.gz AKLPGTNVMCBPOV-MSOLQXFVSA-N 0 3 342.399 2.178 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N(C)[C@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595907302 469076742 /nfs/dbraw/zinc/07/67/42/469076742.db2.gz IEFJRWXTTMQNSB-JOYOIKCWSA-N 0 3 348.325 2.052 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)[C@H]3CCCO3)o2)cc1 ZINC000598989779 469079326 /nfs/dbraw/zinc/07/93/26/469079326.db2.gz AAQNHMHNDNDHFT-NVXWUHKLSA-N 0 3 332.356 2.484 10 5 EEBEHN COc1ccc(-c2ccc(CN[C@H]3C[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000599004513 469084605 /nfs/dbraw/zinc/08/46/05/469084605.db2.gz RYGZVXPFRIPREH-XYPYZODXSA-N 0 3 345.355 2.217 10 5 EEBEHN COCCN1CCC[C@H](NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000755264226 577822650 /nfs/dbraw/zinc/82/26/50/577822650.db2.gz VXQVGUYTFIOTSU-HECSCLNYSA-N 0 3 347.415 2.225 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000928437153 683136790 /nfs/dbraw/zinc/13/67/90/683136790.db2.gz HAAYUPPVTTYTEM-KWQFWETISA-N 0 3 331.294 2.436 10 5 EEBEHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721494 684699413 /nfs/dbraw/zinc/69/94/13/684699413.db2.gz BZFSAEKDVAPISI-WMHVBEDNSA-N 0 3 332.400 2.471 10 5 EEBEHN COC1(CC(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001266680193 1177182387 /nfs/dbraw/zinc/18/23/87/1177182387.db2.gz KFTNLSNIFBYJQJ-GASCZTMLSA-N 0 3 347.415 2.291 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]nc1C1CC1 ZINC001481297635 1180945660 /nfs/dbraw/zinc/94/56/60/1180945660.db2.gz FOMGGWCEIOXZHR-UHFFFAOYSA-N 0 3 343.387 2.057 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1ccccn1 ZINC001268775466 1183693468 /nfs/dbraw/zinc/69/34/68/1183693468.db2.gz XHZDGCWEDKLJOR-UHFFFAOYSA-N 0 3 328.372 2.242 10 5 EEBEHN O=C(Cc1cscn1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001483066727 1188396920 /nfs/dbraw/zinc/39/69/20/1188396920.db2.gz CDAFJERJAUCHHF-OWOJBTEDSA-N 0 3 346.412 2.056 10 5 EEBEHN CC(COC(=O)C1CCC(NC(=O)C2CCCC2)CC1)[N+](=O)[O-] ZINC000813108798 1201120753 /nfs/dbraw/zinc/12/07/53/1201120753.db2.gz LUZLUYZRICBUJA-XGNXJENSSA-N 0 3 326.393 2.060 10 5 EEBEHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1I ZINC000813114041 1201123418 /nfs/dbraw/zinc/12/34/18/1201123418.db2.gz LNNSPGCYZBXVEV-QMMMGPOBSA-N 0 3 349.124 2.422 10 5 EEBEHN CC(C)(NC(=O)C1CN(C2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001331799149 1335644832 /nfs/dbraw/zinc/64/48/32/1335644832.db2.gz ZMDUTKTURFSZRR-UHFFFAOYSA-N 0 3 347.415 2.057 10 5 EEBEHN CC(C)(C)[NH2+]CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584059 1338725242 /nfs/dbraw/zinc/72/52/42/1338725242.db2.gz MTXDRQPVUCJZGB-UHFFFAOYSA-N 0 3 331.319 2.071 10 5 EEBEHN Cc1nc([C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001560139661 1342508746 /nfs/dbraw/zinc/50/87/46/1342508746.db2.gz FPMFQXAZGISTBW-LBPRGKRZSA-N 0 3 345.359 2.104 10 5 EEBEHN Cc1nn(C)c(N2CCN[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001652343086 1354088751 /nfs/dbraw/zinc/08/87/51/1354088751.db2.gz YBACKZVLIWEMHT-CYBMUJFWSA-N 0 3 335.795 2.441 10 5 EEBEHN CC(C)CNC(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001167829723 776263957 /nfs/dbraw/zinc/26/39/57/776263957.db2.gz QQFFICUMSJUYBS-MRXNPFEDSA-N 0 3 349.431 2.303 10 5 EEBEHN C[C@@]1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CN2CCC1CC2 ZINC000912384280 788135816 /nfs/dbraw/zinc/13/58/16/788135816.db2.gz VBPUXRCLBDSZNO-QGZVFWFLSA-N 0 3 328.372 2.290 10 5 EEBEHN O=C(/C=C\c1ccc[nH]1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001497573292 1102685125 /nfs/dbraw/zinc/68/51/25/1102685125.db2.gz ODBHRUBVBQFEAZ-JRNHODHYSA-N 0 3 340.383 2.398 10 5 EEBEHN CC([C@H](OC(=O)c1cn(C)ccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC001526032679 1120404853 /nfs/dbraw/zinc/40/48/53/1120404853.db2.gz WEDKDHZZDSIFNY-BONVTDFDSA-N 0 3 334.303 2.088 10 5 EEBEHN Cc1nc(N2CC[C@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000095974185 237052687 /nfs/dbraw/zinc/05/26/87/237052687.db2.gz WALFQYYKQRFDFJ-HNNXBMFYSA-N 0 3 334.420 2.379 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2CCC([NH3+])CC2)c1 ZINC000193249341 240078863 /nfs/dbraw/zinc/07/88/63/240078863.db2.gz IANGLFDCCYZOQE-UHFFFAOYSA-N 0 3 347.824 2.105 10 5 EEBEHN CCOC(=O)c1ccnc(N(C)C[C@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000175166830 207099354 /nfs/dbraw/zinc/09/93/54/207099354.db2.gz KUIYTKICHLJQBG-GFCCVEGCSA-N 0 3 336.392 2.087 10 5 EEBEHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000177146416 207298652 /nfs/dbraw/zinc/29/86/52/207298652.db2.gz HYVDMAKQAZQCRZ-GHMZBOCLSA-N 0 3 328.372 2.431 10 5 EEBEHN O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000109818952 159354088 /nfs/dbraw/zinc/35/40/88/159354088.db2.gz IREFPPNPYCJXBG-SFHVURJKSA-N 0 3 333.432 2.324 10 5 EEBEHN COc1cc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000352554560 162185204 /nfs/dbraw/zinc/18/52/04/162185204.db2.gz GWAYUGMFRZBBHG-CYBMUJFWSA-N 0 3 331.376 2.410 10 5 EEBEHN COc1cc(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352554560 162185207 /nfs/dbraw/zinc/18/52/07/162185207.db2.gz GWAYUGMFRZBBHG-CYBMUJFWSA-N 0 3 331.376 2.410 10 5 EEBEHN COc1cc(CN2CCC[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352554560 162185209 /nfs/dbraw/zinc/18/52/09/162185209.db2.gz GWAYUGMFRZBBHG-CYBMUJFWSA-N 0 3 331.376 2.410 10 5 EEBEHN Cc1cc(N2CCC[C@H](NCc3csc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000369297703 166231529 /nfs/dbraw/zinc/23/15/29/166231529.db2.gz HAYXKIANJDECNG-ZDUSSCGKSA-N 0 3 335.433 2.457 10 5 EEBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C[C@H]4CCCO4)CC3)nc2c1 ZINC000274840923 269061747 /nfs/dbraw/zinc/06/17/47/269061747.db2.gz OKYHBNWZZKKJQK-CQSZACIVSA-N 0 3 345.403 2.162 10 5 EEBEHN CN(C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000108951783 276807557 /nfs/dbraw/zinc/80/75/57/276807557.db2.gz PDXXSVJMHDYRNS-NSHDSACASA-N 0 3 333.310 2.380 10 5 EEBEHN COc1cnccc1N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000360250853 278076941 /nfs/dbraw/zinc/07/69/41/278076941.db2.gz QFBRKUZFKDJPND-UHFFFAOYSA-N 0 3 329.360 2.028 10 5 EEBEHN CN1C[C@@H]2CCCN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425289995 314373747 /nfs/dbraw/zinc/37/37/47/314373747.db2.gz WGSNTSDUHVRNEJ-SUMWQHHRSA-N 0 3 344.415 2.017 10 5 EEBEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000113270631 462584475 /nfs/dbraw/zinc/58/44/75/462584475.db2.gz LBASZBSIVVCKTC-IUODEOHRSA-N 0 3 343.387 2.313 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1C ZINC000123361605 463335523 /nfs/dbraw/zinc/33/55/23/463335523.db2.gz BUCSMBBKBNYHIZ-CHWSQXEVSA-N 0 3 334.420 2.216 10 5 EEBEHN O=C(CCN1CCN2CCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000246121931 464545953 /nfs/dbraw/zinc/54/59/53/464545953.db2.gz AYIXMZCCWTYELX-AWEZNQCLSA-N 0 3 332.404 2.094 10 5 EEBEHN O=[N+]([O-])c1cnc(N2CCC(CN3CCOCC3)CC2)c(Cl)c1 ZINC000265509717 464585521 /nfs/dbraw/zinc/58/55/21/464585521.db2.gz KCBRITFIMXTVDX-UHFFFAOYSA-N 0 3 340.811 2.192 10 5 EEBEHN CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CCN(C)C1 ZINC000597092092 468440574 /nfs/dbraw/zinc/44/05/74/468440574.db2.gz JSOJRPLSBPPAQI-JTQLQIEISA-N 0 3 341.799 2.388 10 5 EEBEHN C[C@H](NCCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000338010817 465747893 /nfs/dbraw/zinc/74/78/93/465747893.db2.gz DPCWBGRXHDUOTP-ZDUSSCGKSA-N 0 3 338.371 2.464 10 5 EEBEHN COC(=O)COc1ccc(CN[C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000338473387 466155635 /nfs/dbraw/zinc/15/56/35/466155635.db2.gz DAESRLAKRGKUBI-CYBMUJFWSA-N 0 3 340.401 2.130 10 5 EEBEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000392969892 467430045 /nfs/dbraw/zinc/43/00/45/467430045.db2.gz UMBQCCBXJFEILU-LDYMZIIASA-N 0 3 342.193 2.114 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000589498432 468156408 /nfs/dbraw/zinc/15/64/08/468156408.db2.gz PQKDJNQKEGJLSQ-OAHLLOKOSA-N 0 3 333.388 2.050 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](N3CCCC3)C2)c1 ZINC000589499421 468156992 /nfs/dbraw/zinc/15/69/92/468156992.db2.gz QMBHEYVFUDZMTD-OAHLLOKOSA-N 0 3 333.388 2.052 10 5 EEBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592522697 468719763 /nfs/dbraw/zinc/71/97/63/468719763.db2.gz FIFANBAWNCHENX-IPJDOKCGSA-N 0 3 346.431 2.050 10 5 EEBEHN CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(C)C1 ZINC000597946963 468721322 /nfs/dbraw/zinc/72/13/22/468721322.db2.gz UAEYRDMMDWYMGZ-OAHLLOKOSA-N 0 3 330.388 2.102 10 5 EEBEHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963218 468732136 /nfs/dbraw/zinc/73/21/36/468732136.db2.gz HVMSHSWRTAYWLK-XFJVYGCCSA-N 0 3 326.368 2.390 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])s1 ZINC000601291843 468813013 /nfs/dbraw/zinc/81/30/13/468813013.db2.gz OMNKHLSJZOINPQ-UHFFFAOYSA-N 0 3 349.478 2.362 10 5 EEBEHN CN1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000604230537 469464916 /nfs/dbraw/zinc/46/49/16/469464916.db2.gz KQCWELIPPWJNHW-SECBINFHSA-N 0 3 344.318 2.412 10 5 EEBEHN COC1CCN(CCNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755470368 577825505 /nfs/dbraw/zinc/82/55/05/577825505.db2.gz IDZBWVDBUVECLL-YPKPFQOOSA-N 0 3 347.415 2.225 10 5 EEBEHN Cc1nn(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000747822992 577950634 /nfs/dbraw/zinc/95/06/34/577950634.db2.gz GJNILTQZPDVDRA-ZIAGYGMSSA-N 0 3 345.403 2.354 10 5 EEBEHN Cc1nn(CN2CCC[C@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000747822986 577950647 /nfs/dbraw/zinc/95/06/47/577950647.db2.gz GJNILTQZPDVDRA-KBPBESRZSA-N 0 3 345.403 2.354 10 5 EEBEHN CC(C)=CC(=O)N1CCC(CCNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001269817610 1184642873 /nfs/dbraw/zinc/64/28/73/1184642873.db2.gz HYLVFIVCFYJZEJ-UHFFFAOYSA-N 0 3 349.435 2.013 10 5 EEBEHN CC(COC(=O)CCCc1nc(-c2ccc(F)cc2)no1)[N+](=O)[O-] ZINC000813108747 1201120402 /nfs/dbraw/zinc/12/04/02/1201120402.db2.gz AFHGMUQCMNIDAZ-SNVBAGLBSA-N 0 3 337.307 2.407 10 5 EEBEHN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109709 1201121478 /nfs/dbraw/zinc/12/14/78/1201121478.db2.gz OACZVHPFNKKOHP-CJNGLKHVSA-N 0 3 348.399 2.194 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866113139 1201435942 /nfs/dbraw/zinc/43/59/42/1201435942.db2.gz UVJSXEVZUUHFRA-UHFFFAOYSA-N 0 3 336.392 2.005 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000928456067 1206387391 /nfs/dbraw/zinc/38/73/91/1206387391.db2.gz LIUOKNYHJJUMSG-JSGCOSHPSA-N 0 3 332.404 2.017 10 5 EEBEHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000852321447 1292092484 /nfs/dbraw/zinc/09/24/84/1292092484.db2.gz NTKDVYPGOHKIFF-AWEZNQCLSA-N 0 3 339.348 2.034 10 5 EEBEHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)c1ccnn1C ZINC000927127033 1297027822 /nfs/dbraw/zinc/02/78/22/1297027822.db2.gz PWPAYGLNNHCTMZ-HZMBPMFUSA-N 0 3 336.417 2.434 10 5 EEBEHN CN(CCCNC(=O)C1(C)CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316856926 1331525223 /nfs/dbraw/zinc/52/52/23/1331525223.db2.gz MYRRSNKHPMYVNE-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN Cc1nccn1-c1ccncc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001586300388 1348848855 /nfs/dbraw/zinc/84/88/55/1348848855.db2.gz KSQTXLVVCWDEKT-UHFFFAOYSA-N 0 3 347.722 2.113 10 5 EEBEHN CCc1nc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)co1 ZINC001660108283 1354398306 /nfs/dbraw/zinc/39/83/06/1354398306.db2.gz GMLPSJXSOVCBJF-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN CN1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC000913721828 794178880 /nfs/dbraw/zinc/17/88/80/794178880.db2.gz CYLWLXGCDHTNGC-UHFFFAOYSA-N 0 3 340.811 2.387 10 5 EEBEHN CC[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC001454063629 1106699431 /nfs/dbraw/zinc/69/94/31/1106699431.db2.gz JRHAWIVDCKYKTP-CMPLNLGQSA-N 0 3 325.796 2.390 10 5 EEBEHN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@@H]1CCN1C1CCOCC1 ZINC001517121179 1119024288 /nfs/dbraw/zinc/02/42/88/1119024288.db2.gz DSKQHBCPWBIZCL-KRWDZBQOSA-N 0 3 348.399 2.324 10 5 EEBEHN COC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181675052 234280288 /nfs/dbraw/zinc/28/02/88/234280288.db2.gz NOSOYAADEVMPHP-SJLPKXTDSA-N 0 3 346.383 2.312 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)n1 ZINC000191783674 239295669 /nfs/dbraw/zinc/29/56/69/239295669.db2.gz WHHRTNJCAWKLOX-LBPRGKRZSA-N 0 3 337.424 2.052 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C[NH3+])CC(C)C)c1 ZINC000193282723 240090536 /nfs/dbraw/zinc/09/05/36/240090536.db2.gz CEXUGZKSWJHTIK-JTQLQIEISA-N 0 3 349.840 2.208 10 5 EEBEHN Cc1ccc(N2CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000105801596 204160975 /nfs/dbraw/zinc/16/09/75/204160975.db2.gz BWZHCTCWCXOEFF-UHFFFAOYSA-N 0 3 341.415 2.448 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129579053 205201418 /nfs/dbraw/zinc/20/14/18/205201418.db2.gz DKLUJLJMGHYATP-NSHDSACASA-N 0 3 331.294 2.390 10 5 EEBEHN Cc1csc([C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523655 159197755 /nfs/dbraw/zinc/19/77/55/159197755.db2.gz JUGMTCXCRCXCOC-ZDUSSCGKSA-N 0 3 348.428 2.401 10 5 EEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000246873885 160298719 /nfs/dbraw/zinc/29/87/19/160298719.db2.gz FGOKRXFGNQTOAW-OLZOCXBDSA-N 0 3 348.359 2.202 10 5 EEBEHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000360242382 164265026 /nfs/dbraw/zinc/26/50/26/164265026.db2.gz OGHBBSYCJVPDPZ-UHFFFAOYSA-N 0 3 329.360 2.028 10 5 EEBEHN COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000457359286 295415512 /nfs/dbraw/zinc/41/55/12/295415512.db2.gz FNCDTCVVHJPCSY-BBRMVZONSA-N 0 3 344.371 2.236 10 5 EEBEHN CC[C@@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000540952846 318087432 /nfs/dbraw/zinc/08/74/32/318087432.db2.gz WYSPIVJPVYLOGW-GOEBONIOSA-N 0 3 334.420 2.317 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153757571 462688384 /nfs/dbraw/zinc/68/83/84/462688384.db2.gz QIQNTLWEWNZFPB-CQSZACIVSA-N 0 3 336.392 2.136 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159107266 463268720 /nfs/dbraw/zinc/26/87/20/463268720.db2.gz KYEJYFZKOWQLKJ-SECBINFHSA-N 0 3 342.193 2.133 10 5 EEBEHN CCN1CC[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000097162589 463339497 /nfs/dbraw/zinc/33/94/97/463339497.db2.gz MCKKHZISIGPUOQ-PWSUYJOCSA-N 0 3 347.462 2.007 10 5 EEBEHN O=C(NC1CC1)c1ccc(N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000171831520 463932963 /nfs/dbraw/zinc/93/29/63/463932963.db2.gz ADAXKQYDAUFNAZ-UHFFFAOYSA-N 0 3 344.415 2.162 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267472821 464933855 /nfs/dbraw/zinc/93/38/55/464933855.db2.gz PBDFYZODOUQZGR-JTQLQIEISA-N 0 3 342.193 2.181 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000348223857 465497994 /nfs/dbraw/zinc/49/79/94/465497994.db2.gz YETNHCDXTOIEGM-OAHLLOKOSA-N 0 3 332.404 2.010 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CC(N3CCCCC3)C2)n1 ZINC000343033906 465467436 /nfs/dbraw/zinc/46/74/36/465467436.db2.gz KYEILBNVSAHQSC-UHFFFAOYSA-N 0 3 334.376 2.205 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1cccs1 ZINC000353320397 465794606 /nfs/dbraw/zinc/79/46/06/465794606.db2.gz WWANVNTVHUIVSN-IINYFYTJSA-N 0 3 349.416 2.192 10 5 EEBEHN COc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])N(C)C)cc1OC ZINC000340153964 465823236 /nfs/dbraw/zinc/82/32/36/465823236.db2.gz WZDFIBATVUESCF-AWEZNQCLSA-N 0 3 346.387 2.144 10 5 EEBEHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362563933 465834175 /nfs/dbraw/zinc/83/41/75/465834175.db2.gz FLRJUNHKBWOIDD-ZWNOBZJWSA-N 0 3 347.400 2.113 10 5 EEBEHN Cc1cc(N2CCO[C@@H](CN(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301998138 466075732 /nfs/dbraw/zinc/07/57/32/466075732.db2.gz IDPAAUMNYNQFJW-ZDUSSCGKSA-N 0 3 330.388 2.218 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CNCCO2)c2ccccc2)c1 ZINC000423561997 466773987 /nfs/dbraw/zinc/77/39/87/466773987.db2.gz KFKDQNYIRRFTPY-ZWKOTPCHSA-N 0 3 327.384 2.262 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000450397927 467842632 /nfs/dbraw/zinc/84/26/32/467842632.db2.gz WQDLJPLIRQYHRG-RDJZCZTQSA-N 0 3 342.399 2.285 10 5 EEBEHN C[C@@H]1CN(CCCNc2c3ccccc3ncc2[N+](=O)[O-])CCCO1 ZINC000487739892 468052111 /nfs/dbraw/zinc/05/21/11/468052111.db2.gz KLWWLFKWFINQEY-CQSZACIVSA-N 0 3 344.415 2.478 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](N3CCCC3)C2)c1 ZINC000589499418 468156260 /nfs/dbraw/zinc/15/62/60/468156260.db2.gz QMBHEYVFUDZMTD-HNNXBMFYSA-N 0 3 333.388 2.052 10 5 EEBEHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CCN(C2CC2)CC1 ZINC000589830187 468186570 /nfs/dbraw/zinc/18/65/70/468186570.db2.gz AFWRFCZOMVRHCZ-UHFFFAOYSA-N 0 3 339.342 2.159 10 5 EEBEHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCC1 ZINC000600471294 468567279 /nfs/dbraw/zinc/56/72/79/468567279.db2.gz KGOWSCNQLMOJQZ-CQSZACIVSA-N 0 3 332.404 2.140 10 5 EEBEHN CCN1C[C@@H](C)N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000593021164 468842480 /nfs/dbraw/zinc/84/24/80/468842480.db2.gz SJJFWJIXFXNSIZ-QWHCGFSZSA-N 0 3 335.404 2.296 10 5 EEBEHN O=C(CCN1CCC(C2(O)CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593052158 468852110 /nfs/dbraw/zinc/85/21/10/468852110.db2.gz WUAUSKVCQLJHLX-UHFFFAOYSA-N 0 3 333.388 2.160 10 5 EEBEHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000598892473 469040888 /nfs/dbraw/zinc/04/08/88/469040888.db2.gz GHPJWVSCPXDVOP-CQSZACIVSA-N 0 3 347.415 2.310 10 5 EEBEHN O=C(CCN1CCO[C@H](C(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000601978274 469124878 /nfs/dbraw/zinc/12/48/78/469124878.db2.gz XAJXJCXDHQGOTA-ZDUSSCGKSA-N 0 3 343.330 2.279 10 5 EEBEHN C[C@H](O)[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596068558 469138166 /nfs/dbraw/zinc/13/81/66/469138166.db2.gz YYSKEVNRORURJF-QANKJYHBSA-N 0 3 346.383 2.046 10 5 EEBEHN CC1(N2CCOCC2)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599622480 469313074 /nfs/dbraw/zinc/31/30/74/469313074.db2.gz KITPMQRFOCZTIP-UHFFFAOYSA-N 0 3 333.432 2.324 10 5 EEBEHN C[C@H]1CCOCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000775567410 577439624 /nfs/dbraw/zinc/43/96/24/577439624.db2.gz XSCDELLJEUQCOP-LBPRGKRZSA-N 0 3 335.360 2.004 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000757863068 577865871 /nfs/dbraw/zinc/86/58/71/577865871.db2.gz NESLAZKETHRQEL-SJLPKXTDSA-N 0 3 330.384 2.477 10 5 EEBEHN Cc1ncccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001691453979 1178856759 /nfs/dbraw/zinc/85/67/59/1178856759.db2.gz OVTDDWHDVVFTAZ-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(C(F)(F)F)CC1 ZINC001691486177 1179592386 /nfs/dbraw/zinc/59/23/86/1179592386.db2.gz JETIEQCJSJIEBF-UHFFFAOYSA-N 0 3 345.321 2.485 10 5 EEBEHN CCN1CCCC[C@H]1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001293328221 1328674166 /nfs/dbraw/zinc/67/41/66/1328674166.db2.gz ORHPDYKDAVQSCC-NSHDSACASA-N 0 3 340.811 2.435 10 5 EEBEHN CCN1C[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001645340127 1352776399 /nfs/dbraw/zinc/77/63/99/1352776399.db2.gz AYIINECWRVCETC-LBPRGKRZSA-N 0 3 349.416 2.060 10 5 EEBEHN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C1CCCC1 ZINC001651769194 1354064273 /nfs/dbraw/zinc/06/42/73/1354064273.db2.gz FKHFFVBLGCPROM-AWEZNQCLSA-N 0 3 347.415 2.449 10 5 EEBEHN C[C@H]1CCN(c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001655192369 1354167234 /nfs/dbraw/zinc/16/72/34/1354167234.db2.gz PFHBTYGTUNWPED-AWEZNQCLSA-N 0 3 329.404 2.429 10 5 EEBEHN Cc1ccc(CN(C)C)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566214946 1125591554 /nfs/dbraw/zinc/59/15/54/1125591554.db2.gz YLEUHIMNLMMTFS-UHFFFAOYSA-N 0 3 329.360 2.194 10 5 EEBEHN CCn1cc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001566440568 1125602752 /nfs/dbraw/zinc/60/27/52/1125602752.db2.gz UXALSCXUVQGXRY-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1=COCCC1 ZINC001497357598 1102375733 /nfs/dbraw/zinc/37/57/33/1102375733.db2.gz BJXOLCTYCQXATB-UHFFFAOYSA-N 0 3 333.388 2.227 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCn1cccc1 ZINC001493741517 1108607511 /nfs/dbraw/zinc/60/75/11/1108607511.db2.gz DBHLJUQDWRKASQ-UHFFFAOYSA-N 0 3 330.388 2.035 10 5 EEBEHN C[C@@H](C(=O)OC[C@@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001526620137 1120554244 /nfs/dbraw/zinc/55/42/44/1120554244.db2.gz GWJSTCGVKYVLMS-DYVFJYSZSA-N 0 3 348.399 2.495 10 5 EEBEHN CN(C)C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000183576673 282117663 /nfs/dbraw/zinc/11/76/63/282117663.db2.gz QZESNTDKWILTRV-CQSZACIVSA-N 0 3 329.360 2.414 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@](O)(CO)C3)o2)cc1 ZINC000459717916 245222366 /nfs/dbraw/zinc/22/23/66/245222366.db2.gz MOZMYDITIKKXDN-QGZVFWFLSA-N 0 3 332.356 2.174 10 5 EEBEHN C[C@@H](c1ccc(Cl)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721265 207049756 /nfs/dbraw/zinc/04/97/56/207049756.db2.gz BEASUQXTYNHXBQ-NHYWBVRUSA-N 0 3 338.795 2.499 10 5 EEBEHN CN(C)[C@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCSC1 ZINC000267090786 256025792 /nfs/dbraw/zinc/02/57/92/256025792.db2.gz INALZAJIQOYQCY-INIZCTEOSA-N 0 3 348.428 2.243 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000110083744 159357229 /nfs/dbraw/zinc/35/72/29/159357229.db2.gz LNGMENGSZJEEQM-CQSZACIVSA-N 0 3 336.392 2.136 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2[C@H](C)CCC[C@H]2C)n1 ZINC000342222505 161048862 /nfs/dbraw/zinc/04/88/62/161048862.db2.gz MIQTVMKAKKCTQL-VXGBXAGGSA-N 0 3 336.392 2.451 10 5 EEBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000348223881 161486479 /nfs/dbraw/zinc/48/64/79/161486479.db2.gz YIRYJKRKUNXPEL-AWEZNQCLSA-N 0 3 332.404 2.010 10 5 EEBEHN CCCc1n[n-]c(C(=O)N2CCC(n3c[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000375381982 167123480 /nfs/dbraw/zinc/12/34/80/167123480.db2.gz VNUJSKDRRZGIOG-UHFFFAOYSA-N 0 3 346.391 2.253 10 5 EEBEHN Cc1cc(OCC(=O)NCCN2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000280613033 269378740 /nfs/dbraw/zinc/37/87/40/269378740.db2.gz SEVQWAFZNMZTDJ-AWEZNQCLSA-N 0 3 335.404 2.273 10 5 EEBEHN CC(C)(C)N1CC[C@](F)(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000291368891 275298638 /nfs/dbraw/zinc/29/86/38/275298638.db2.gz UOFJUPXPBSTODD-QGZVFWFLSA-N 0 3 337.395 2.466 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541963718 318118872 /nfs/dbraw/zinc/11/88/72/318118872.db2.gz WQGGPBCQJCMXFC-JTQLQIEISA-N 0 3 343.330 2.268 10 5 EEBEHN CCN1CCC(N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000341373101 465135705 /nfs/dbraw/zinc/13/57/05/465135705.db2.gz XFJMVWXTANFURT-UHFFFAOYSA-N 0 3 336.392 2.005 10 5 EEBEHN CN1C[C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000591849703 468530361 /nfs/dbraw/zinc/53/03/61/468530361.db2.gz JFTJVFRMQKDWCC-RISCZKNCSA-N 0 3 340.221 2.493 10 5 EEBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCC2=O)cc1 ZINC000090538106 462796442 /nfs/dbraw/zinc/79/64/42/462796442.db2.gz RYDBKPHLOXMFOQ-CYBMUJFWSA-N 0 3 343.387 2.269 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Cn3cccn3)CC2)c1 ZINC000137047900 463274665 /nfs/dbraw/zinc/27/46/65/463274665.db2.gz GNCMUROGRAQBAG-KRWDZBQOSA-N 0 3 330.388 2.237 10 5 EEBEHN CN(C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000160015150 463314006 /nfs/dbraw/zinc/31/40/06/463314006.db2.gz NYINJUBDUBTLIJ-CYBMUJFWSA-N 0 3 347.337 2.376 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000590971146 468388059 /nfs/dbraw/zinc/38/80/59/468388059.db2.gz OXHONFXEMQQMJL-HUUCEWRRSA-N 0 3 334.372 2.429 10 5 EEBEHN CCN1CC[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000222332876 464129280 /nfs/dbraw/zinc/12/92/80/464129280.db2.gz MCKKHZISIGPUOQ-CMPLNLGQSA-N 0 3 347.462 2.007 10 5 EEBEHN COc1cc(CN2CCN(CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000351935375 465452502 /nfs/dbraw/zinc/45/25/02/465452502.db2.gz GYJIKRRHQGOVLQ-UHFFFAOYSA-N 0 3 349.431 2.148 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)CNC2 ZINC000188733593 464355408 /nfs/dbraw/zinc/35/54/08/464355408.db2.gz RJNVUNHPTZQSBH-UHFFFAOYSA-N 0 3 327.340 2.137 10 5 EEBEHN C[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000353945970 466272300 /nfs/dbraw/zinc/27/23/00/466272300.db2.gz DARBYWGRNXWQEN-WFASDCNBSA-N 0 3 341.433 2.060 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361776318 466278926 /nfs/dbraw/zinc/27/89/26/466278926.db2.gz LITLMBZYTUAWIW-HUUCEWRRSA-N 0 3 348.447 2.410 10 5 EEBEHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCCC1 ZINC000600229911 468501796 /nfs/dbraw/zinc/50/17/96/468501796.db2.gz XIKOHYYCRDIWLR-HNNXBMFYSA-N 0 3 347.415 2.497 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CNCCO2)c2ccccc2)c1 ZINC000423561995 466774096 /nfs/dbraw/zinc/77/40/96/466774096.db2.gz KFKDQNYIRRFTPY-QZTJIDSGSA-N 0 3 327.384 2.262 10 5 EEBEHN Cc1cc(N2CCNC[C@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269257 467333928 /nfs/dbraw/zinc/33/39/28/467333928.db2.gz SYRITRDEWIZTKM-KRWDZBQOSA-N 0 3 345.378 2.498 10 5 EEBEHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420400592 467395028 /nfs/dbraw/zinc/39/50/28/467395028.db2.gz PAZABMCJDZPEGH-PHIMTYICSA-N 0 3 338.795 2.013 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCCN2CCO)cc1OC(F)F ZINC000450620126 467880568 /nfs/dbraw/zinc/88/05/68/467880568.db2.gz VEMUXYNIZNEZNN-LBPRGKRZSA-N 0 3 345.346 2.455 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590442053 468257418 /nfs/dbraw/zinc/25/74/18/468257418.db2.gz GBRBUWZZNYUOCI-RNCFNFMXSA-N 0 3 343.305 2.390 10 5 EEBEHN Cc1ccc(NC(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592211212 468656461 /nfs/dbraw/zinc/65/64/61/468656461.db2.gz LQVDZDAVMRXBET-UHFFFAOYSA-N 0 3 348.403 2.232 10 5 EEBEHN COCCN(C)CCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600995523 468712111 /nfs/dbraw/zinc/71/21/11/468712111.db2.gz ICWCGAYQTCQSAV-UHFFFAOYSA-N 0 3 349.431 2.101 10 5 EEBEHN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(C)C1 ZINC000597946016 468720810 /nfs/dbraw/zinc/72/08/10/468720810.db2.gz MXTCFCHXNFPGAH-CQSZACIVSA-N 0 3 330.388 2.171 10 5 EEBEHN CCC[C@@H](NC[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595080699 468753728 /nfs/dbraw/zinc/75/37/28/468753728.db2.gz YQEOHPLOROYIFP-IAGOWNOFSA-N 0 3 338.404 2.194 10 5 EEBEHN C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN(C2CC2)C1 ZINC000601170645 468768704 /nfs/dbraw/zinc/76/87/04/468768704.db2.gz SJDHRMYNYAMPPJ-VIFPVBQESA-N 0 3 347.341 2.268 10 5 EEBEHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(N2CCCOCC2)CC1 ZINC000601229649 468789839 /nfs/dbraw/zinc/78/98/39/468789839.db2.gz WMZVJKPAKWSLSP-UHFFFAOYSA-N 0 3 348.403 2.313 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1CN ZINC000592953549 468826770 /nfs/dbraw/zinc/82/67/70/468826770.db2.gz VPBKPDLJSPZPNI-MRXNPFEDSA-N 0 3 341.367 2.302 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601368072 468843955 /nfs/dbraw/zinc/84/39/55/468843955.db2.gz JQXMGNHFUMTSQN-SNVBAGLBSA-N 0 3 349.478 2.219 10 5 EEBEHN COc1cc(CN[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595630750 468930714 /nfs/dbraw/zinc/93/07/14/468930714.db2.gz BXDBPDZMYFXIKR-RBSFLKMASA-N 0 3 338.404 2.259 10 5 EEBEHN CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595718993 468968779 /nfs/dbraw/zinc/96/87/79/468968779.db2.gz UUKSGEGGBASASR-RDTXWAMCSA-N 0 3 348.399 2.385 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H]2CC2(F)F)cc1 ZINC000598730501 468977510 /nfs/dbraw/zinc/97/75/10/468977510.db2.gz WSNVSMSSMLRLAA-JTQLQIEISA-N 0 3 334.344 2.003 10 5 EEBEHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccsc1 ZINC000587137469 469086182 /nfs/dbraw/zinc/08/61/82/469086182.db2.gz HRWNSNBUOGKPPR-AWEZNQCLSA-N 0 3 336.417 2.446 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccccn1)C1CCC1 ZINC000599573964 469297007 /nfs/dbraw/zinc/29/70/07/469297007.db2.gz LLUWVXKPRHLGJX-QGZVFWFLSA-N 0 3 328.372 2.283 10 5 EEBEHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595634997 485608186 /nfs/dbraw/zinc/60/81/86/485608186.db2.gz SJRSPPUNBDUCOE-AXAPSJFSSA-N 0 3 348.403 2.127 10 5 EEBEHN COCCN1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000751219686 577749379 /nfs/dbraw/zinc/74/93/79/577749379.db2.gz RUBZJBAKNSWUKY-UHFFFAOYSA-N 0 3 336.417 2.363 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000928441853 683165254 /nfs/dbraw/zinc/16/52/54/683165254.db2.gz PNTVBGYAAARGGO-PELKAZGASA-N 0 3 331.294 2.436 10 5 EEBEHN Cc1ccc(CNCCN2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000895340735 684515795 /nfs/dbraw/zinc/51/57/95/684515795.db2.gz BKHCJOBBMCCYRX-HNNXBMFYSA-N 0 3 332.404 2.283 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]([C@@H]3CCCO3)C1)OCCO2 ZINC000895842857 684740719 /nfs/dbraw/zinc/74/07/19/684740719.db2.gz GDXPPLYFXCMIKD-DOMZBBRYSA-N 0 3 334.372 2.367 10 5 EEBEHN Cc1cc(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)on1 ZINC001273040562 1194346005 /nfs/dbraw/zinc/34/60/05/1194346005.db2.gz QNRKCLCULXUNTP-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN C[C@H](NC[C@@H]1CCCN1CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076084 1198041768 /nfs/dbraw/zinc/04/17/68/1198041768.db2.gz XCSCLGHTPPNETH-STQMWFEESA-N 0 3 325.384 2.231 10 5 EEBEHN COC(=O)Cc1ccc(N2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000866217834 1201468478 /nfs/dbraw/zinc/46/84/78/1201468478.db2.gz IAGRDOSARUCMGI-MRXNPFEDSA-N 0 3 335.404 2.087 10 5 EEBEHN CN(C)Cc1ccccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298489718 1330091165 /nfs/dbraw/zinc/09/11/65/1330091165.db2.gz IXPIZXSALWSJSK-MRXNPFEDSA-N 0 3 329.356 2.329 10 5 EEBEHN CC(C)=CC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001324984379 1333802708 /nfs/dbraw/zinc/80/27/08/1333802708.db2.gz WYUCAOCLJASNDS-UHFFFAOYSA-N 0 3 347.415 2.316 10 5 EEBEHN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC(N4CCCC4)C3)c2c1 ZINC001329360344 1334634236 /nfs/dbraw/zinc/63/42/36/1334634236.db2.gz OQFDCAHRHPCARA-UHFFFAOYSA-N 0 3 333.779 2.476 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCN(C)Cc2ccccc2)n1 ZINC001434878651 1341975777 /nfs/dbraw/zinc/97/57/77/1341975777.db2.gz RXENENAIVLNGRU-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN Cc1c(NC(=O)CCN[C@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC001655381865 1354172256 /nfs/dbraw/zinc/17/22/56/1354172256.db2.gz ZJNRINLYOUEKFB-GFCCVEGCSA-N 0 3 331.376 2.316 10 5 EEBEHN Cc1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001664260091 1355124441 /nfs/dbraw/zinc/12/44/41/1355124441.db2.gz FNNYYYFXYYFIET-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001668673144 1355984132 /nfs/dbraw/zinc/98/41/32/1355984132.db2.gz SRGLDTVXVBRWPP-ONEGZZNKSA-N 0 3 326.356 2.066 10 5 EEBEHN CCc1cc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001479808269 1099055882 /nfs/dbraw/zinc/05/58/82/1099055882.db2.gz WIICVQMNNKVXEG-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN COc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001493771418 1108646301 /nfs/dbraw/zinc/64/63/01/1108646301.db2.gz XJZMLMBLKJJGCG-UHFFFAOYSA-N 0 3 343.383 2.465 10 5 EEBEHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](CC)CN1CC(C)(C)O ZINC000225813456 242048409 /nfs/dbraw/zinc/04/84/09/242048409.db2.gz OQAMNCASRFQGEC-KGLIPLIRSA-N 0 3 336.436 2.440 10 5 EEBEHN COC(=O)c1cnc(NCCN2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357684252 153286516 /nfs/dbraw/zinc/28/65/16/153286516.db2.gz OYPUECDDECDNTN-TXEJJXNPSA-N 0 3 336.392 2.451 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCCO1 ZINC000076300047 159083368 /nfs/dbraw/zinc/08/33/68/159083368.db2.gz PMAAGIJEEKMSJQ-CYBMUJFWSA-N 0 3 337.376 2.043 10 5 EEBEHN Cc1nccn1C[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246332506 160274598 /nfs/dbraw/zinc/27/45/98/160274598.db2.gz SWKRWXFGQZKWMC-IAGOWNOFSA-N 0 3 330.388 2.298 10 5 EEBEHN CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247127302 160311580 /nfs/dbraw/zinc/31/15/80/160311580.db2.gz JGLPNFVSTAEXNR-TZMCWYRMSA-N 0 3 333.388 2.302 10 5 EEBEHN CCCCN(C)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000341932919 161025364 /nfs/dbraw/zinc/02/53/64/161025364.db2.gz CKUMVKANRAWGOV-CYBMUJFWSA-N 0 3 343.449 2.135 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1ccncc1 ZINC000343200630 161112406 /nfs/dbraw/zinc/11/24/06/161112406.db2.gz SEIUAZAQCHUPFB-UHFFFAOYSA-N 0 3 346.412 2.366 10 5 EEBEHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C1CC1 ZINC000353024343 162398714 /nfs/dbraw/zinc/39/87/14/162398714.db2.gz GVILSHHQGFPGIE-UONOGXRCSA-N 0 3 334.372 2.234 10 5 EEBEHN C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])[C@H](C)CN1CCO ZINC000418990510 274366260 /nfs/dbraw/zinc/36/62/60/274366260.db2.gz CUKMQNJYVPNKEU-CHWSQXEVSA-N 0 3 330.388 2.034 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000171043870 302705170 /nfs/dbraw/zinc/70/51/70/302705170.db2.gz WNEGXPDWQNNGBR-AWEZNQCLSA-N 0 3 332.404 2.389 10 5 EEBEHN CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415706481 313169642 /nfs/dbraw/zinc/16/96/42/313169642.db2.gz VDGCFFFPKTWSCW-LBPRGKRZSA-N 0 3 336.392 2.002 10 5 EEBEHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000418437579 313813745 /nfs/dbraw/zinc/81/37/45/313813745.db2.gz YLEUIUVUAURGPE-QGZVFWFLSA-N 0 3 342.399 2.479 10 5 EEBEHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000547437950 318288501 /nfs/dbraw/zinc/28/85/01/318288501.db2.gz JOKIGFSVHLGWJT-MLGOLLRUSA-N 0 3 328.372 2.411 10 5 EEBEHN COc1ccc(CNC[C@@H](O)COc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000550764933 318455149 /nfs/dbraw/zinc/45/51/49/318455149.db2.gz QLOPJZIBBCTEQE-OAHLLOKOSA-N 0 3 346.383 2.441 10 5 EEBEHN COc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000565231043 319165093 /nfs/dbraw/zinc/16/50/93/319165093.db2.gz YVQLEUYPAQFVRL-GJZGRUSLSA-N 0 3 348.447 2.066 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000046722336 462697987 /nfs/dbraw/zinc/69/79/87/462697987.db2.gz ZTMSSCBCYDPCKK-UHFFFAOYSA-N 0 3 344.371 2.491 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155404275 462887272 /nfs/dbraw/zinc/88/72/72/462887272.db2.gz DIRZJLILMSZBLS-JSGCOSHPSA-N 0 3 335.404 2.452 10 5 EEBEHN CN1CCN(Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000066808989 462932503 /nfs/dbraw/zinc/93/25/03/462932503.db2.gz XNBPXHBWKQLRBO-UHFFFAOYSA-N 0 3 341.415 2.349 10 5 EEBEHN Cc1cnc(N2CC[C@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000095974197 463120756 /nfs/dbraw/zinc/12/07/56/463120756.db2.gz PYRJATUYYPEWFR-HNNXBMFYSA-N 0 3 334.420 2.379 10 5 EEBEHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000080899168 463363883 /nfs/dbraw/zinc/36/38/83/463363883.db2.gz CRNSUTXBCBXFHE-XIKOKIGWSA-N 0 3 349.431 2.361 10 5 EEBEHN Cc1c([C@@H](C)N[C@@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000164919001 463636404 /nfs/dbraw/zinc/63/64/04/463636404.db2.gz GSUNOOGNEQYNAP-RHSMWYFYSA-N 0 3 349.431 2.437 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](n3cncn3)C2)cc1 ZINC000171620180 463894732 /nfs/dbraw/zinc/89/47/32/463894732.db2.gz AXROKNSSFNXXFH-HNNXBMFYSA-N 0 3 331.376 2.292 10 5 EEBEHN COc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000262169704 463964085 /nfs/dbraw/zinc/96/40/85/463964085.db2.gz HQGXUOMWMVEWDA-FABXCBLPSA-N 0 3 349.387 2.074 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCC[C@@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000283793592 464011149 /nfs/dbraw/zinc/01/11/49/464011149.db2.gz SKSHUNNVBSSXGT-TZMCWYRMSA-N 0 3 348.403 2.005 10 5 EEBEHN COc1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000359566050 465458648 /nfs/dbraw/zinc/45/86/48/465458648.db2.gz QCFVLPPQFRYYAB-CQSZACIVSA-N 0 3 333.388 2.221 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCCN(CCCO)C2)c1 ZINC000295103274 464706428 /nfs/dbraw/zinc/70/64/28/464706428.db2.gz KRBWTYYYTMJHOY-CYBMUJFWSA-N 0 3 327.812 2.185 10 5 EEBEHN COC[C@](C)(CCO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000267352387 464927224 /nfs/dbraw/zinc/92/72/24/464927224.db2.gz MCQPQWAQCYOFHJ-ZDUSSCGKSA-N 0 3 347.209 2.234 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000554859430 468446755 /nfs/dbraw/zinc/44/67/55/468446755.db2.gz KVIWNUBERIAROQ-GWCFXTLKSA-N 0 3 349.416 2.192 10 5 EEBEHN C[C@H]1CCCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362526805 465806898 /nfs/dbraw/zinc/80/68/98/465806898.db2.gz VJUGZXXMFOOWAU-NSHDSACASA-N 0 3 341.358 2.264 10 5 EEBEHN CCOc1cc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000372804204 466595523 /nfs/dbraw/zinc/59/55/23/466595523.db2.gz FEWIRSGPFVZHSI-LSDHHAIUSA-N 0 3 347.415 2.484 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CNC1(CO)Cc2ccccc2C1 ZINC000373770674 466915592 /nfs/dbraw/zinc/91/55/92/466915592.db2.gz KNHWJDUHQNKINN-UHFFFAOYSA-N 0 3 328.368 2.223 10 5 EEBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408153701 467519013 /nfs/dbraw/zinc/51/90/13/467519013.db2.gz LHNLBKJOSDVFLX-WCQYABFASA-N 0 3 328.372 2.385 10 5 EEBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600470031 468567067 /nfs/dbraw/zinc/56/70/67/468567067.db2.gz DWQUQIIEGVBBSD-CYBMUJFWSA-N 0 3 347.371 2.070 10 5 EEBEHN COc1ccc(CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000594968380 468733127 /nfs/dbraw/zinc/73/31/27/468733127.db2.gz WPWHTJVIISWPES-RRFJBIMHSA-N 0 3 338.404 2.259 10 5 EEBEHN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598042537 468747448 /nfs/dbraw/zinc/74/74/48/468747448.db2.gz PMDMLJPBODDPFL-AWEZNQCLSA-N 0 3 334.420 2.340 10 5 EEBEHN C[C@H]1CN(CCCCNc2ncc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601127484 468753099 /nfs/dbraw/zinc/75/30/99/468753099.db2.gz HMOYNKDENTZXDQ-RYUDHWBXSA-N 0 3 326.372 2.430 10 5 EEBEHN CC(C)CN(C)CCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000593479369 468998581 /nfs/dbraw/zinc/99/85/81/468998581.db2.gz BXEHMMMSXNPDRF-UHFFFAOYSA-N 0 3 343.449 2.388 10 5 EEBEHN COc1cc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000596074984 469141493 /nfs/dbraw/zinc/14/14/93/469141493.db2.gz DSYNJFDSGLPDRL-UHFFFAOYSA-N 0 3 336.436 2.350 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H](O)C[C@H](O)C3)s2)cc1 ZINC000611276841 469217178 /nfs/dbraw/zinc/21/71/78/469217178.db2.gz UTQJXENTLZXREE-OKILXGFUSA-N 0 3 334.397 2.251 10 5 EEBEHN COCCN(CCN(C)C)C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752031767 577764886 /nfs/dbraw/zinc/76/48/86/577764886.db2.gz YKMVSSAWBRMZON-YPKPFQOOSA-N 0 3 335.404 2.035 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924058601 677994002 /nfs/dbraw/zinc/99/40/02/677994002.db2.gz HAEHFAYXJGMYQE-AWEZNQCLSA-N 0 3 348.355 2.048 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCc1cncs1 ZINC001267428799 1178996010 /nfs/dbraw/zinc/99/60/10/1178996010.db2.gz CHAAVFJUNACORN-UHFFFAOYSA-N 0 3 348.428 2.232 10 5 EEBEHN CCc1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001691561076 1188263837 /nfs/dbraw/zinc/26/38/37/1188263837.db2.gz KBJBYPRLXPLXNP-UHFFFAOYSA-N 0 3 332.360 2.007 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C ZINC000928448910 1206385911 /nfs/dbraw/zinc/38/59/11/1206385911.db2.gz DRYRDJVPGDBPRB-BBRMVZONSA-N 0 3 346.431 2.408 10 5 EEBEHN O=C(CC(F)(F)F)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001491000218 1258567390 /nfs/dbraw/zinc/56/73/90/1258567390.db2.gz OYMCRPGRMHYJEY-PHIMTYICSA-N 0 3 331.294 2.284 10 5 EEBEHN Cc1cc(N2CC(N[C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001187739815 1279635457 /nfs/dbraw/zinc/63/54/57/1279635457.db2.gz KLLDGFSENMKEOZ-SNVBAGLBSA-N 0 3 345.321 2.489 10 5 EEBEHN O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CCN3C3CCCC3)cc2N1 ZINC000858780608 1294221621 /nfs/dbraw/zinc/22/16/21/1294221621.db2.gz RCXPGKDMXXTMCG-LBPRGKRZSA-N 0 3 346.387 2.355 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118564046 1308883821 /nfs/dbraw/zinc/88/38/21/1308883821.db2.gz PXVPQUTZLCSORJ-HNNXBMFYSA-N 0 3 332.404 2.493 10 5 EEBEHN Cc1nc([C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001560139660 1342508212 /nfs/dbraw/zinc/50/82/12/1342508212.db2.gz FPMFQXAZGISTBW-GFCCVEGCSA-N 0 3 345.359 2.104 10 5 EEBEHN Cn1cccc1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001570097706 1343011838 /nfs/dbraw/zinc/01/18/38/1343011838.db2.gz APYIVMSDGWJPOH-UHFFFAOYSA-N 0 3 342.399 2.376 10 5 EEBEHN CN1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C(C)(C)C1 ZINC001597314125 1349922065 /nfs/dbraw/zinc/92/20/65/1349922065.db2.gz PJPOMICRUDGPFR-HNNXBMFYSA-N 0 3 343.387 2.055 10 5 EEBEHN Cn1cnnc1CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001655642597 1354180510 /nfs/dbraw/zinc/18/05/10/1354180510.db2.gz PVVOHSFSZLGNEN-UHFFFAOYSA-N 0 3 345.403 2.057 10 5 EEBEHN CCN(C)[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001181842087 800929859 /nfs/dbraw/zinc/92/98/59/800929859.db2.gz ZCFXEXXTPQPCJR-HNNXBMFYSA-N 0 3 333.388 2.110 10 5 EEBEHN C[C@H]1Cc2n[nH]cc2CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001460781112 1110323733 /nfs/dbraw/zinc/32/37/33/1110323733.db2.gz WWAAOSHBLHBLFV-LBPRGKRZSA-N 0 3 343.387 2.341 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1ccsn1 ZINC001501966587 1113540734 /nfs/dbraw/zinc/54/07/34/1113540734.db2.gz LMQJGRQVNFPFSF-UHFFFAOYSA-N 0 3 346.412 2.494 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]cc1C ZINC001568797373 1124810796 /nfs/dbraw/zinc/81/07/96/1124810796.db2.gz DCMOOSZMOMSJHL-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN Cc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)OC1CCN(C)CC1 ZINC000002016076 201359541 /nfs/dbraw/zinc/35/95/41/201359541.db2.gz VTMTVCHHVCVAQT-UHFFFAOYSA-N 0 3 335.316 2.402 10 5 EEBEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000247182834 243391064 /nfs/dbraw/zinc/39/10/64/243391064.db2.gz LBASZBSIVVCKTC-DOMZBBRYSA-N 0 3 343.387 2.313 10 5 EEBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN3CCC[C@H]3C2)c1 ZINC000245778090 160252644 /nfs/dbraw/zinc/25/26/44/160252644.db2.gz TUYTXKIVSORRGV-ZDUSSCGKSA-N 0 3 327.331 2.476 10 5 EEBEHN CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247127284 160311457 /nfs/dbraw/zinc/31/14/57/160311457.db2.gz JGLPNFVSTAEXNR-OCCSQVGLSA-N 0 3 333.388 2.302 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CN3CCC2CC3)c1 ZINC000344762764 161243872 /nfs/dbraw/zinc/24/38/72/161243872.db2.gz AOXKXDCBDSHMBL-MRXNPFEDSA-N 0 3 347.415 2.225 10 5 EEBEHN COc1ccc(CNC2(CO)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000369330341 166238418 /nfs/dbraw/zinc/23/84/18/166238418.db2.gz RQWVZKPWFPZRHW-UHFFFAOYSA-N 0 3 328.368 2.223 10 5 EEBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(C[C@@H]4CCCO4)CC3)nc2c1 ZINC000274840920 269061806 /nfs/dbraw/zinc/06/18/06/269061806.db2.gz OKYHBNWZZKKJQK-AWEZNQCLSA-N 0 3 345.403 2.162 10 5 EEBEHN C[C@H]1COCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277456414 274294325 /nfs/dbraw/zinc/29/43/25/274294325.db2.gz MFJFNBNRNLIADP-CABZTGNLSA-N 0 3 327.768 2.201 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CNCC1(S(C)(=O)=O)CCCC1 ZINC000285447889 274733526 /nfs/dbraw/zinc/73/35/26/274733526.db2.gz IQVNIGCSJCJUNU-UHFFFAOYSA-N 0 3 326.418 2.350 10 5 EEBEHN O=[N+]([O-])c1cnc2ccccc2c1NCCCN1CCC(O)CC1 ZINC000291623722 275324078 /nfs/dbraw/zinc/32/40/78/275324078.db2.gz KUGONCCRDZCVOA-UHFFFAOYSA-N 0 3 330.388 2.402 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296915910 294100664 /nfs/dbraw/zinc/10/06/64/294100664.db2.gz ALDYHHHQZDBJHR-AWEZNQCLSA-N 0 3 330.388 2.036 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119624474 462917157 /nfs/dbraw/zinc/91/71/57/462917157.db2.gz YLQRBJWTVSXIAY-GFCCVEGCSA-N 0 3 343.449 2.220 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000122983914 463306232 /nfs/dbraw/zinc/30/62/32/463306232.db2.gz YKSXARXKUJGAQL-NEPJUHHUSA-N 0 3 339.367 2.054 10 5 EEBEHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000080899189 463364095 /nfs/dbraw/zinc/36/40/95/463364095.db2.gz CRNSUTXBCBXFHE-KPZWWZAWSA-N 0 3 349.431 2.361 10 5 EEBEHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCN2CCC[C@H]2C1 ZINC000171585108 463888115 /nfs/dbraw/zinc/88/81/15/463888115.db2.gz ORSLZMJXZCQHFH-HNNXBMFYSA-N 0 3 344.415 2.115 10 5 EEBEHN CC(C)CN1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000282118386 464703371 /nfs/dbraw/zinc/70/33/71/464703371.db2.gz BBTJLFGRLFRLIN-UHFFFAOYSA-N 0 3 344.419 2.168 10 5 EEBEHN Nc1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000192775488 464995161 /nfs/dbraw/zinc/99/51/61/464995161.db2.gz OPNLLUZSQDKJHI-INIZCTEOSA-N 0 3 342.399 2.008 10 5 EEBEHN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H](c1ccccc1)N(C)C ZINC000357686249 466210717 /nfs/dbraw/zinc/21/07/17/466210717.db2.gz OQWDCGFGMDHODI-YVEFUNNKSA-N 0 3 340.387 2.741 10 5 EEBEHN CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000347003245 466311366 /nfs/dbraw/zinc/31/13/66/466311366.db2.gz GBTKZZXTPUSIGR-CQSZACIVSA-N 0 3 332.404 2.092 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415663555 466704464 /nfs/dbraw/zinc/70/44/64/466704464.db2.gz SIPPEWNEUSMSNP-LBPRGKRZSA-N 0 3 344.318 2.112 10 5 EEBEHN CN1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000424184301 466999392 /nfs/dbraw/zinc/99/93/92/466999392.db2.gz DBNZUDFRKWMEGO-JTQLQIEISA-N 0 3 343.330 2.154 10 5 EEBEHN CC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000449419599 467642334 /nfs/dbraw/zinc/64/23/34/467642334.db2.gz BNGUFTSJKWGDQP-LJWDBELGSA-N 0 3 345.346 2.306 10 5 EEBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600473155 468567913 /nfs/dbraw/zinc/56/79/13/468567913.db2.gz SDGFJVZURQHIKA-GFCCVEGCSA-N 0 3 347.371 2.070 10 5 EEBEHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000583385106 468689884 /nfs/dbraw/zinc/68/98/84/468689884.db2.gz SOPBZBDTIRPTJL-SFHVURJKSA-N 0 3 340.383 2.384 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594964138 468731750 /nfs/dbraw/zinc/73/17/50/468731750.db2.gz OMXUATDAERHOBH-CYBMUJFWSA-N 0 3 335.404 2.328 10 5 EEBEHN COc1ccc(CNC(=O)C[C@@H]2NCc3ccccc32)cc1[N+](=O)[O-] ZINC000595248432 468792528 /nfs/dbraw/zinc/79/25/28/468792528.db2.gz HHHAUHVWUQCHLL-HNNXBMFYSA-N 0 3 341.367 2.454 10 5 EEBEHN C[C@@H]1CCN(Cc2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000610468865 468976186 /nfs/dbraw/zinc/97/61/86/468976186.db2.gz OWHZXGWMAFFOBF-CQSZACIVSA-N 0 3 329.404 2.429 10 5 EEBEHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595849502 469042584 /nfs/dbraw/zinc/04/25/84/469042584.db2.gz MIZKBIJHJOYEQF-XBXGTLAGSA-N 0 3 349.387 2.115 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2CC1(c1ccccc1)C2 ZINC000595907226 469077717 /nfs/dbraw/zinc/07/77/17/469077717.db2.gz HMVJMXPWDKHZGI-UHFFFAOYSA-N 0 3 325.368 2.378 10 5 EEBEHN COc1ccc(CNCC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599008854 469087140 /nfs/dbraw/zinc/08/71/40/469087140.db2.gz UYZHTMBCKSTOEQ-UHFFFAOYSA-N 0 3 335.404 2.342 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@@H](O)CN2CCCCC2)ccc2cnccc21 ZINC000599019887 469091055 /nfs/dbraw/zinc/09/10/55/469091055.db2.gz NWOBEBBWRBTIRJ-CQSZACIVSA-N 0 3 330.388 2.402 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1N1CCC(N3CCCOCC3)CC1)CCN2 ZINC000596268563 469227646 /nfs/dbraw/zinc/22/76/46/469227646.db2.gz LYEQGAOMGUBJNM-UHFFFAOYSA-N 0 3 346.431 2.254 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(C[C@H]3CCCO3)CC2)n1 ZINC000611615715 469293296 /nfs/dbraw/zinc/29/32/96/469293296.db2.gz PQHBWBXYDCCDAN-OAHLLOKOSA-N 0 3 334.420 2.298 10 5 EEBEHN C[C@@H]1COCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763901692 577727701 /nfs/dbraw/zinc/72/77/01/577727701.db2.gz MJGFQXMRXXNMFS-MWLCHTKSSA-N 0 3 327.768 2.201 10 5 EEBEHN COc1ccc(COC(=O)C2CCCN(C3CC3)C2=O)cc1[N+](=O)[O-] ZINC000924061773 678312375 /nfs/dbraw/zinc/31/23/75/678312375.db2.gz CHLHAOGDYWOCTF-ZDUSSCGKSA-N 0 3 348.355 2.048 10 5 EEBEHN CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CCN(C)C1 ZINC000898586641 693385956 /nfs/dbraw/zinc/38/59/56/693385956.db2.gz HSKMDCKVMMRURN-ZDUSSCGKSA-N 0 3 342.399 2.496 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccccn1 ZINC001266798431 1177449909 /nfs/dbraw/zinc/44/99/09/1177449909.db2.gz QTVQZRJZHHYBDT-UHFFFAOYSA-N 0 3 342.399 2.171 10 5 EEBEHN Cc1cncc(CC(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001267408347 1178980613 /nfs/dbraw/zinc/98/06/13/1178980613.db2.gz FKEMJMQYEVYKPD-UHFFFAOYSA-N 0 3 342.399 2.089 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]ccc1C ZINC001268449085 1182624769 /nfs/dbraw/zinc/62/47/69/1182624769.db2.gz USWBZEMWISDYQD-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1ccsn1 ZINC001483473079 1190494678 /nfs/dbraw/zinc/49/46/78/1190494678.db2.gz SHSSGKFODCUTOA-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN CC(COC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)[N+](=O)[O-] ZINC000813102266 1201097011 /nfs/dbraw/zinc/09/70/11/1201097011.db2.gz CYRRSOZFYQTHKA-LLVKDONJSA-N 0 3 344.323 2.400 10 5 EEBEHN Cc1ncoc1C(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001273495746 1278592998 /nfs/dbraw/zinc/59/29/98/1278592998.db2.gz IYXWACQWZIMGCO-UHFFFAOYSA-N 0 3 346.387 2.485 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001123864392 1310740039 /nfs/dbraw/zinc/74/00/39/1310740039.db2.gz YFKNINGXBFUDEE-IAGOWNOFSA-N 0 3 347.415 2.011 10 5 EEBEHN O=C(CC1CC1)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001278693042 1317756497 /nfs/dbraw/zinc/75/64/97/1317756497.db2.gz DVEQZPKCHCCMBW-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1cnco1 ZINC001280495106 1324255856 /nfs/dbraw/zinc/25/58/56/1324255856.db2.gz KPNFAYQQKAPVQP-UHFFFAOYSA-N 0 3 330.344 2.025 10 5 EEBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001652316643 1354087337 /nfs/dbraw/zinc/08/73/37/1354087337.db2.gz BQHGQXBNGJDLID-PBHICJAKSA-N 0 3 328.372 2.298 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCOC12CCCC2 ZINC001660537734 1354484697 /nfs/dbraw/zinc/48/46/97/1354484697.db2.gz ZPWFQUGUEFIYCF-OAHLLOKOSA-N 0 3 349.387 2.233 10 5 EEBEHN CCc1cc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])no1 ZINC001670316366 1356317649 /nfs/dbraw/zinc/31/76/49/1356317649.db2.gz SCDMDIWIIDTZOC-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN CN(C)C1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000913384994 788833535 /nfs/dbraw/zinc/83/35/35/788833535.db2.gz LVRNVQNUSSDVQY-UHFFFAOYSA-N 0 3 329.759 2.488 10 5 EEBEHN CC/C=C\CCN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171510802 796623219 /nfs/dbraw/zinc/62/32/19/796623219.db2.gz LFCOLNHTFRLFIB-PLNGDYQASA-N 0 3 341.433 2.161 10 5 EEBEHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CCN2CCC1CC2 ZINC000790779555 808914824 /nfs/dbraw/zinc/91/48/24/808914824.db2.gz PBTMDYKYOWMVEL-UHFFFAOYSA-N 0 3 338.795 2.238 10 5 EEBEHN CC(C)(C)[C@H](O)C[C@@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793608083 810431656 /nfs/dbraw/zinc/43/16/56/810431656.db2.gz HPBNMLIFDBHCHU-SMDDNHRTSA-N 0 3 330.812 2.496 10 5 EEBEHN COC(=O)c1cc(NC(=O)[C@@H]2NCCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000423003683 240327030 /nfs/dbraw/zinc/32/70/30/240327030.db2.gz MZNJLDGDLZESFV-ZDUSSCGKSA-N 0 3 335.360 2.098 10 5 EEBEHN CCN(CC)CC(=O)N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103492661 204081403 /nfs/dbraw/zinc/08/14/03/204081403.db2.gz YYHPNBWPWRZERE-OAHLLOKOSA-N 0 3 348.447 2.142 10 5 EEBEHN Cc1noc(CCNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105469369 204147127 /nfs/dbraw/zinc/14/71/27/204147127.db2.gz SVNMPKDUTAEORK-UHFFFAOYSA-N 0 3 342.359 2.019 10 5 EEBEHN CCN1CCC[C@H]1CN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000175168000 207099772 /nfs/dbraw/zinc/09/97/72/207099772.db2.gz AJNSYQRQMUWPKA-ZDUSSCGKSA-N 0 3 332.404 2.400 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270321458 256123557 /nfs/dbraw/zinc/12/35/57/256123557.db2.gz UOLAZPBMUMIHON-AWEZNQCLSA-N 0 3 330.388 2.171 10 5 EEBEHN CC(C)N(CCc1nccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589625 292219475 /nfs/dbraw/zinc/21/94/75/292219475.db2.gz CRAXHTREQYJVFE-UHFFFAOYSA-N 0 3 336.417 2.166 10 5 EEBEHN Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000249204375 160376353 /nfs/dbraw/zinc/37/63/53/160376353.db2.gz AVOAOJMXQUAEEM-JKSUJKDBSA-N 0 3 342.399 2.224 10 5 EEBEHN Cc1ccc([C@@H](C)NC(=O)N2CCN3CCC2CC3)cc1[N+](=O)[O-] ZINC000375221866 167090129 /nfs/dbraw/zinc/09/01/29/167090129.db2.gz HHLOXKZGIUWZPP-CYBMUJFWSA-N 0 3 332.404 2.454 10 5 EEBEHN COC(=O)c1cc(N2CCC[C@H]3CN(C)C[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000425278788 314371609 /nfs/dbraw/zinc/37/16/09/314371609.db2.gz FLICJUUXLCOKSH-SWLSCSKDSA-N 0 3 333.388 2.220 10 5 EEBEHN CCN1CCN([C@H](C)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000563807479 319045273 /nfs/dbraw/zinc/04/52/73/319045273.db2.gz ZLAIZRXFYSVTDE-CQSZACIVSA-N 0 3 347.463 2.307 10 5 EEBEHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@@H]2C1 ZINC000171584990 463887888 /nfs/dbraw/zinc/88/78/88/463887888.db2.gz WQQAQHVBSKBKPM-MRXNPFEDSA-N 0 3 332.404 2.094 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2noc(CN3CCN4CCCC[C@@H]4C3)n2)cc1 ZINC000172800122 464146168 /nfs/dbraw/zinc/14/61/68/464146168.db2.gz GPTRAEYKZVUUID-OAHLLOKOSA-N 0 3 343.387 2.315 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000249280003 464859166 /nfs/dbraw/zinc/85/91/66/464859166.db2.gz NCFNGRXITJRBCP-BXUZGUMPSA-N 0 3 336.392 2.454 10 5 EEBEHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CN2CCC1CC2 ZINC000347941084 465323253 /nfs/dbraw/zinc/32/32/53/465323253.db2.gz GYMCYQWAKIEGJB-QGZVFWFLSA-N 0 3 342.399 2.102 10 5 EEBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000353978790 466296270 /nfs/dbraw/zinc/29/62/70/466296270.db2.gz NSAFJBVUXWWDLF-OLZOCXBDSA-N 0 3 340.445 2.471 10 5 EEBEHN CN(C)C[C@@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807193 466472176 /nfs/dbraw/zinc/47/21/76/466472176.db2.gz GRMRPQKKUXAFQC-ROUUACIJSA-N 0 3 329.400 2.196 10 5 EEBEHN CC(C)C1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000488488023 468088824 /nfs/dbraw/zinc/08/88/24/468088824.db2.gz ZXOPDXMRICKOEV-UHFFFAOYSA-N 0 3 326.418 2.393 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000589498430 468157109 /nfs/dbraw/zinc/15/71/09/468157109.db2.gz PQKDJNQKEGJLSQ-HNNXBMFYSA-N 0 3 333.388 2.050 10 5 EEBEHN CN1C[C@@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590010379 468205324 /nfs/dbraw/zinc/20/53/24/468205324.db2.gz GNWSGKWRAPZWCH-XJKSGUPXSA-N 0 3 328.372 2.386 10 5 EEBEHN Nc1c(C(=O)NC[C@@H]2CCN2C2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600472057 468567732 /nfs/dbraw/zinc/56/77/32/468567732.db2.gz MKFOARGEAHEUPM-LBPRGKRZSA-N 0 3 336.367 2.063 10 5 EEBEHN CC(C)(C)[N@@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594793961 468688035 /nfs/dbraw/zinc/68/80/35/468688035.db2.gz XLRYZYCVQQGVFN-SNVBAGLBSA-N 0 3 347.462 2.055 10 5 EEBEHN CC(C)(C)[N@H+]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594793961 468688040 /nfs/dbraw/zinc/68/80/40/468688040.db2.gz XLRYZYCVQQGVFN-SNVBAGLBSA-N 0 3 347.462 2.055 10 5 EEBEHN CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000597946973 468720970 /nfs/dbraw/zinc/72/09/70/468720970.db2.gz UJQWOFHACAONLS-INIZCTEOSA-N 0 3 334.420 2.340 10 5 EEBEHN CCCN1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598341973 468837197 /nfs/dbraw/zinc/83/71/97/468837197.db2.gz JQTHYVPCWJTEAO-JTQLQIEISA-N 0 3 327.331 2.016 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598531274 468902093 /nfs/dbraw/zinc/90/20/93/468902093.db2.gz HRDVNUNADNCUFZ-GXSJLCMTSA-N 0 3 343.330 2.409 10 5 EEBEHN COCC1(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000595908685 469077360 /nfs/dbraw/zinc/07/73/60/469077360.db2.gz JQRCKARDOKPYRU-UHFFFAOYSA-N 0 3 347.415 2.423 10 5 EEBEHN COC(=O)C(C)(C)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000611404624 469242347 /nfs/dbraw/zinc/24/23/47/469242347.db2.gz INIQSXFNYIKJRM-OAHLLOKOSA-N 0 3 346.387 2.321 10 5 EEBEHN CN(C)CCn1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cn1 ZINC000726944134 576354890 /nfs/dbraw/zinc/35/48/90/576354890.db2.gz WARYJPIOWYTNJJ-YVMONPNESA-N 0 3 329.360 2.005 10 5 EEBEHN CO[C@]1(CNCc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000162223657 679471865 /nfs/dbraw/zinc/47/18/65/679471865.db2.gz SDOWMWVEFSXLAI-ZDUSSCGKSA-N 0 3 345.193 2.252 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000897825870 691793914 /nfs/dbraw/zinc/79/39/14/691793914.db2.gz QLXNTWYTPWHWKE-SWLSCSKDSA-N 0 3 340.383 2.106 10 5 EEBEHN Cc1ncccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001481274500 1180611512 /nfs/dbraw/zinc/61/15/12/1180611512.db2.gz SNSGZIMIFMYAIW-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)Cc1cccnc1 ZINC001483460685 1190486162 /nfs/dbraw/zinc/48/61/62/1190486162.db2.gz IEMNFQYDKTVCSN-UHFFFAOYSA-N 0 3 348.428 2.232 10 5 EEBEHN CC(COC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)[N+](=O)[O-] ZINC000813106653 1201115924 /nfs/dbraw/zinc/11/59/24/1201115924.db2.gz FPEFRFBIASRWKA-MELADBBJSA-N 0 3 336.388 2.118 10 5 EEBEHN CC(COC(=O)C1CCC(NC(=O)C2CCCC2)CC1)[N+](=O)[O-] ZINC000813108796 1201120676 /nfs/dbraw/zinc/12/06/76/1201120676.db2.gz LUZLUYZRICBUJA-LMWSTFAQSA-N 0 3 326.393 2.060 10 5 EEBEHN O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CCN3C3CCCC3)cc2N1 ZINC000858780607 1294222101 /nfs/dbraw/zinc/22/21/01/1294222101.db2.gz RCXPGKDMXXTMCG-GFCCVEGCSA-N 0 3 346.387 2.355 10 5 EEBEHN CC1(N2CCOCC2)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000859773919 1294642363 /nfs/dbraw/zinc/64/23/63/1294642363.db2.gz GPMZJKVGCXWENZ-UHFFFAOYSA-N 0 3 337.395 2.421 10 5 EEBEHN O=C1OC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]12 ZINC000862545245 1295875084 /nfs/dbraw/zinc/87/50/84/1295875084.db2.gz LWNFNKLHKGEDEX-BXUZGUMPSA-N 0 3 328.324 2.460 10 5 EEBEHN Cc1c[nH]cc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001316865590 1331778192 /nfs/dbraw/zinc/77/81/92/1331778192.db2.gz NMCRWYDLQWSZHJ-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN CN(CCN1CC2(C1)CCOCC2)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001331908671 1335672440 /nfs/dbraw/zinc/67/24/40/1335672440.db2.gz YRZNBKFPZOAVJJ-UHFFFAOYSA-N 0 3 346.431 2.111 10 5 EEBEHN Cc1noc(C[C@@H]2CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001620623307 1344576003 /nfs/dbraw/zinc/57/60/03/1344576003.db2.gz RSQXCQPKGUCJNR-XJKSGUPXSA-N 0 3 346.387 2.274 10 5 EEBEHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001651332520 1354049360 /nfs/dbraw/zinc/04/93/60/1354049360.db2.gz ZQCKAAMCPILMNY-JSGCOSHPSA-N 0 3 342.403 2.290 10 5 EEBEHN O=C(CNC1([C@H]2CCCO2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001656524455 1354244912 /nfs/dbraw/zinc/24/49/12/1354244912.db2.gz WWCHIHBJMRURFW-MRXNPFEDSA-N 0 3 345.399 2.175 10 5 EEBEHN CCn1cc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])cn1 ZINC001670046847 1356266758 /nfs/dbraw/zinc/26/67/58/1356266758.db2.gz ODUDUXWPDWDVRC-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN O=C(CCC(=O)N1CCC(N2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000912872359 788436336 /nfs/dbraw/zinc/43/63/36/788436336.db2.gz ZDLIEUAORWMIGL-UHFFFAOYSA-N 0 3 345.399 2.254 10 5 EEBEHN CC([C@@H](OC(=O)c1cn(CC2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883749 789974444 /nfs/dbraw/zinc/97/44/44/789974444.db2.gz VRFYRIRMPKMLMO-MEBBXXQBSA-N 0 3 348.334 2.391 10 5 EEBEHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000456685735 244328139 /nfs/dbraw/zinc/32/81/39/244328139.db2.gz DJTGWCVKUOYYDB-UHFFFAOYSA-N 0 3 337.424 2.291 10 5 EEBEHN O=C(c1cc(N2CCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000171939033 296182929 /nfs/dbraw/zinc/18/29/29/296182929.db2.gz GOTYQZRROUXHCL-OAHLLOKOSA-N 0 3 344.415 2.115 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)n1 ZINC000191713748 152268590 /nfs/dbraw/zinc/26/85/90/152268590.db2.gz JLZBDZIKWLZSBT-LRDDRELGSA-N 0 3 345.403 2.232 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000121193018 292261776 /nfs/dbraw/zinc/26/17/76/292261776.db2.gz HSLRNEBUOKGHMM-UHFFFAOYSA-N 0 3 332.360 2.095 10 5 EEBEHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccco2)C1 ZINC000247211463 160315093 /nfs/dbraw/zinc/31/50/93/160315093.db2.gz CLHFKYMKPZMCOC-VHDGCEQUSA-N 0 3 334.376 2.218 10 5 EEBEHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000247211477 160315599 /nfs/dbraw/zinc/31/55/99/160315599.db2.gz CLHFKYMKPZMCOC-YUELXQCFSA-N 0 3 334.376 2.218 10 5 EEBEHN CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247406202 160323845 /nfs/dbraw/zinc/32/38/45/160323845.db2.gz MYIVMQJVZDYPOA-OCCSQVGLSA-N 0 3 335.404 2.406 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](NC[C@]2(O)CCOC2)c2ccccc2)c1 ZINC000352907640 162340863 /nfs/dbraw/zinc/34/08/63/162340863.db2.gz HHJITKQJRJBYMN-ZWKOTPCHSA-N 0 3 328.368 2.425 10 5 EEBEHN CCN1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000359050644 164046543 /nfs/dbraw/zinc/04/65/43/164046543.db2.gz DKKNWHXWWCEYCM-UHFFFAOYSA-N 0 3 343.330 2.410 10 5 EEBEHN COc1cnccc1N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000360243293 164265703 /nfs/dbraw/zinc/26/57/03/164265703.db2.gz VIQHVOVVZOWFID-UHFFFAOYSA-N 0 3 329.360 2.028 10 5 EEBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC1CC2 ZINC000365002731 165349342 /nfs/dbraw/zinc/34/93/42/165349342.db2.gz RCCMLAHAOSLDQG-OAHLLOKOSA-N 0 3 331.416 2.470 10 5 EEBEHN CCc1ccc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)cc1[N+](=O)[O-] ZINC000293815855 293302242 /nfs/dbraw/zinc/30/22/42/293302242.db2.gz FSBFIECTYFDREC-DLBZAZTESA-N 0 3 347.415 2.092 10 5 EEBEHN CN(CCC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000527184004 317162656 /nfs/dbraw/zinc/16/26/56/317162656.db2.gz YREJHHDOIMGBMV-UHFFFAOYSA-N 0 3 328.372 2.175 10 5 EEBEHN COc1cccc(C(=O)N2CCc3ccccc3[C@H]2CN)c1[N+](=O)[O-] ZINC000566289385 319269724 /nfs/dbraw/zinc/26/97/24/319269724.db2.gz SUPPWLFVQSGNAU-OAHLLOKOSA-N 0 3 341.367 2.302 10 5 EEBEHN CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000341238581 465071206 /nfs/dbraw/zinc/07/12/06/465071206.db2.gz AILGSFZBIUGTSD-HNNXBMFYSA-N 0 3 332.404 2.015 10 5 EEBEHN CN(C)CCOc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000080410989 463314417 /nfs/dbraw/zinc/31/44/17/463314417.db2.gz GNZIEIJYFNEEHF-UHFFFAOYSA-N 0 3 343.383 2.465 10 5 EEBEHN COc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000262169710 463964342 /nfs/dbraw/zinc/96/43/42/463964342.db2.gz HQGXUOMWMVEWDA-PZSREKOKSA-N 0 3 349.387 2.074 10 5 EEBEHN C[C@H]1CC(O)C[C@H](C)N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191134897 464783255 /nfs/dbraw/zinc/78/32/55/464783255.db2.gz BQGDZSWOAWTXLH-QWRGUYRKSA-N 0 3 339.367 2.296 10 5 EEBEHN CCOc1ccc(NC(=O)CN[C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183200626 464820635 /nfs/dbraw/zinc/82/06/35/464820635.db2.gz FHDNHSHAYGCBCT-IAQYHMDHSA-N 0 3 337.376 2.089 10 5 EEBEHN COC(=O)c1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000597063231 468431829 /nfs/dbraw/zinc/43/18/29/468431829.db2.gz OHRMEEIOOFLBJN-UHFFFAOYSA-N 0 3 338.751 2.021 10 5 EEBEHN CC(C)[C@@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353670636 466053472 /nfs/dbraw/zinc/05/34/72/466053472.db2.gz MKHLYTTUJJRAPU-LSDHHAIUSA-N 0 3 326.418 2.393 10 5 EEBEHN CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000349799902 466245532 /nfs/dbraw/zinc/24/55/32/466245532.db2.gz JNKFQMVHNCOJEH-INIZCTEOSA-N 0 3 332.404 2.015 10 5 EEBEHN CN(C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347169388 466447974 /nfs/dbraw/zinc/44/79/74/466447974.db2.gz OXVDRKOOTLKZGW-UHFFFAOYSA-N 0 3 331.170 2.040 10 5 EEBEHN CCc1n[nH]c(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227383 468501289 /nfs/dbraw/zinc/50/12/89/468501289.db2.gz AZIDDQCUAYSXQQ-LBPRGKRZSA-N 0 3 335.408 2.017 10 5 EEBEHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375151705 466823050 /nfs/dbraw/zinc/82/30/50/466823050.db2.gz JVJLFFSQULPFER-CXAGYDPISA-N 0 3 340.383 2.240 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000373759125 466911935 /nfs/dbraw/zinc/91/19/35/466911935.db2.gz HIMXYZYJSXMCTP-ZFWWWQNUSA-N 0 3 333.388 2.094 10 5 EEBEHN C[C@]12CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000428721073 467262797 /nfs/dbraw/zinc/26/27/97/467262797.db2.gz SKUANFXGCPKYGJ-YUELXQCFSA-N 0 3 342.342 2.312 10 5 EEBEHN NC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000594451651 468593784 /nfs/dbraw/zinc/59/37/84/468593784.db2.gz QEGCFMKURLORAR-QMMMGPOBSA-N 0 3 345.199 2.233 10 5 EEBEHN C[C@H]1CN(C2CC2)C[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601128852 468754223 /nfs/dbraw/zinc/75/42/23/468754223.db2.gz DZXLSNAGONFMHJ-IONNQARKSA-N 0 3 333.314 2.242 10 5 EEBEHN O=[N+]([O-])c1cc(F)cnc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000601194240 468778020 /nfs/dbraw/zinc/77/80/20/468778020.db2.gz VYRWYVPLFSOTHH-OAHLLOKOSA-N 0 3 346.362 2.308 10 5 EEBEHN COCCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593101251 468872129 /nfs/dbraw/zinc/87/21/29/468872129.db2.gz ORNYEWYFTBLQSY-UHFFFAOYSA-N 0 3 337.420 2.016 10 5 EEBEHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000598535581 468904617 /nfs/dbraw/zinc/90/46/17/468904617.db2.gz GYVCBUNYRROZAO-MRXNPFEDSA-N 0 3 347.415 2.310 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000593460370 468989671 /nfs/dbraw/zinc/98/96/71/468989671.db2.gz AKLPGTNVMCBPOV-ZWKOTPCHSA-N 0 3 342.399 2.178 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N[C@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595781119 469006690 /nfs/dbraw/zinc/00/66/90/469006690.db2.gz KHEPOYNERRSZAF-TUKIKUTGSA-N 0 3 333.388 2.123 10 5 EEBEHN O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CCN3C3CCCC3)c21 ZINC000599163104 469143758 /nfs/dbraw/zinc/14/37/58/469143758.db2.gz AYCPVIJMNUCTBI-CYBMUJFWSA-N 0 3 327.388 2.967 10 5 EEBEHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccs1 ZINC000611525111 469272425 /nfs/dbraw/zinc/27/24/25/469272425.db2.gz IYVNUSFLJBTOIW-CYBMUJFWSA-N 0 3 336.417 2.446 10 5 EEBEHN CCOc1ccc([C@H](C)NC[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152724687 528606997 /nfs/dbraw/zinc/60/69/97/528606997.db2.gz WTSZUAPFRDESHG-KGLIPLIRSA-N 0 3 337.420 2.365 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC001266629562 1177025004 /nfs/dbraw/zinc/02/50/04/1177025004.db2.gz JNSCXHYFTFOXAC-BQYQJAHWSA-N 0 3 329.356 2.449 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC001483077551 1188435428 /nfs/dbraw/zinc/43/54/28/1188435428.db2.gz KVGLKLYMCWQTMF-OWOJBTEDSA-N 0 3 332.385 2.127 10 5 EEBEHN COCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001484385586 1191326257 /nfs/dbraw/zinc/32/62/57/1191326257.db2.gz LPLOAMSUFSTVGC-MUJYYYPQSA-N 0 3 347.415 2.100 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1ccccn1 ZINC001484621934 1191445071 /nfs/dbraw/zinc/44/50/71/1191445071.db2.gz JSARUNOHXDQPKY-UHFFFAOYSA-N 0 3 340.383 2.432 10 5 EEBEHN CCOc1cc(OS(=O)(=O)CCN(CC)CC)ccc1[N+](=O)[O-] ZINC000810072500 1199237364 /nfs/dbraw/zinc/23/73/64/1199237364.db2.gz HPVBRBOWIKBBKU-UHFFFAOYSA-N 0 3 346.405 2.044 10 5 EEBEHN Cn1ncc(C(F)(F)F)c1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000850125620 1277045894 /nfs/dbraw/zinc/04/58/94/1277045894.db2.gz ITKMXVYZSZKTDV-CYBMUJFWSA-N 0 3 344.293 2.170 10 5 EEBEHN C/C=C(/C)C(=O)N1CCC(CC)(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001273750620 1284760858 /nfs/dbraw/zinc/76/08/58/1284760858.db2.gz VLWDBRUBPYSJQR-ACAGNQJTSA-N 0 3 349.435 2.155 10 5 EEBEHN Cn1nccc1[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000927126069 1297026853 /nfs/dbraw/zinc/02/68/53/1297026853.db2.gz DBWMRUCJWWEDIE-ZBFHGGJFSA-N 0 3 330.388 2.374 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(NCCN2CCN(C)C(C)(C)C2)c1 ZINC000799326094 1305225964 /nfs/dbraw/zinc/22/59/64/1305225964.db2.gz ZNGUSADCHRERCG-UHFFFAOYSA-N 0 3 340.399 2.180 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(CC)CC1(C)C ZINC001156835626 1318235349 /nfs/dbraw/zinc/23/53/49/1318235349.db2.gz ABRBEFJCSUVOQE-CQSZACIVSA-N 0 3 335.404 2.454 10 5 EEBEHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CCn2c(C)ncc2[N+](=O)[O-])no1 ZINC001560095231 1342507702 /nfs/dbraw/zinc/50/77/02/1342507702.db2.gz FRMSXTWSFZLLAF-AGUYFDCRSA-N 0 3 346.391 2.202 10 5 EEBEHN CC[C@@H](C)N[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC001638679778 1352690571 /nfs/dbraw/zinc/69/05/71/1352690571.db2.gz FVXTZRXEAGABEV-PWSUYJOCSA-N 0 3 347.375 2.024 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC001658612591 1354363499 /nfs/dbraw/zinc/36/34/99/1354363499.db2.gz OQNBVWDDZPPATD-UHFFFAOYSA-N 0 3 333.348 2.182 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC001497566202 1102678037 /nfs/dbraw/zinc/67/80/37/1102678037.db2.gz IAGUPQDPHPYZJZ-UPHRSURJSA-N 0 3 344.346 2.205 10 5 EEBEHN CN(C)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001538902873 1124038832 /nfs/dbraw/zinc/03/88/32/1124038832.db2.gz JFQJYJPYWAYYJD-SNVBAGLBSA-N 0 3 337.767 2.004 10 5 EEBEHN Cc1noc(C)c1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001569180451 1125149631 /nfs/dbraw/zinc/14/96/31/1125149631.db2.gz BNUWQZFAMOPVQU-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN CN(c1ncnc(Nc2ccncc2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040586477 213354750 /nfs/dbraw/zinc/35/47/50/213354750.db2.gz MTAQBFPXISELSC-UHFFFAOYSA-N 0 3 343.391 2.054 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000122946571 292277020 /nfs/dbraw/zinc/27/70/20/292277020.db2.gz NCFNGRXITJRBCP-FZMZJTMJSA-N 0 3 336.392 2.454 10 5 EEBEHN COc1ccc2c(c1)[C@H](NCCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090539615 159197459 /nfs/dbraw/zinc/19/74/59/159197459.db2.gz MWIOCCKONHDTLK-OAHLLOKOSA-N 0 3 332.360 2.303 10 5 EEBEHN Cc1csc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523653 159197892 /nfs/dbraw/zinc/19/78/92/159197892.db2.gz JUGMTCXCRCXCOC-CYBMUJFWSA-N 0 3 348.428 2.401 10 5 EEBEHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCC[C@H]2C1 ZINC000246761572 160293008 /nfs/dbraw/zinc/29/30/08/160293008.db2.gz YFBJILHNEXVLDH-DOMZBBRYSA-N 0 3 343.387 2.486 10 5 EEBEHN CNC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421390518 314095322 /nfs/dbraw/zinc/09/53/22/314095322.db2.gz SMZNGVZKMKORFN-CYBMUJFWSA-N 0 3 329.356 2.423 10 5 EEBEHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC1 ZINC000542920111 318147749 /nfs/dbraw/zinc/14/77/49/318147749.db2.gz FZSSUMZOGNBOAE-JTQLQIEISA-N 0 3 343.330 2.410 10 5 EEBEHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000114003033 462620565 /nfs/dbraw/zinc/62/05/65/462620565.db2.gz IGJSAZYYQPMFJH-UHFFFAOYSA-N 0 3 348.447 2.128 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)nc1-c1ccccc1 ZINC000134796971 463081566 /nfs/dbraw/zinc/08/15/66/463081566.db2.gz DLQSHYCCBWXVLT-UHFFFAOYSA-N 0 3 342.399 2.161 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069529153 463268783 /nfs/dbraw/zinc/26/87/83/463268783.db2.gz MZVLKCNDQJBSJJ-LBPRGKRZSA-N 0 3 341.795 2.089 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Cn3cccn3)CC2)c1 ZINC000137047849 463275482 /nfs/dbraw/zinc/27/54/82/463275482.db2.gz GNCMUROGRAQBAG-QGZVFWFLSA-N 0 3 330.388 2.237 10 5 EEBEHN Cc1cccc(OCC(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000123957303 463381363 /nfs/dbraw/zinc/38/13/63/463381363.db2.gz DXQCKLAOFWRAAG-UHFFFAOYSA-N 0 3 333.388 2.025 10 5 EEBEHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802809 463466848 /nfs/dbraw/zinc/46/68/48/463466848.db2.gz KJKBAKPOEKGZMY-INIZCTEOSA-N 0 3 327.388 2.486 10 5 EEBEHN COc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295105813 464708375 /nfs/dbraw/zinc/70/83/75/464708375.db2.gz XTRDIDLBMLJBSA-MNOVXSKESA-N 0 3 339.367 2.297 10 5 EEBEHN CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000340295370 465962290 /nfs/dbraw/zinc/96/22/90/465962290.db2.gz MCDHHXBTTHOOSK-MRXNPFEDSA-N 0 3 332.404 2.015 10 5 EEBEHN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594045671 468471305 /nfs/dbraw/zinc/47/13/05/468471305.db2.gz XOFSMEUJIRZLAT-HZPDHXFCSA-N 0 3 335.404 2.495 10 5 EEBEHN CCOc1cc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000372804202 466595188 /nfs/dbraw/zinc/59/51/88/466595188.db2.gz FEWIRSGPFVZHSI-HUUCEWRRSA-N 0 3 347.415 2.484 10 5 EEBEHN COc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])cc1F ZINC000373675893 466885289 /nfs/dbraw/zinc/88/52/89/466885289.db2.gz UAWAKOWKTHVYPK-WDEREUQCSA-N 0 3 325.340 2.018 10 5 EEBEHN COC(=O)c1cc(C)nc(N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000450958783 467216420 /nfs/dbraw/zinc/21/64/20/467216420.db2.gz WXWYSHULTVZUQJ-LBPRGKRZSA-N 0 3 336.392 2.004 10 5 EEBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408153698 467519467 /nfs/dbraw/zinc/51/94/67/467519467.db2.gz LHNLBKJOSDVFLX-DGCLKSJQSA-N 0 3 328.372 2.385 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000450345940 467831400 /nfs/dbraw/zinc/83/14/00/467831400.db2.gz GPLJVSNDLOCBRO-RDJZCZTQSA-N 0 3 342.399 2.285 10 5 EEBEHN COc1ccc(CC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858175 468695403 /nfs/dbraw/zinc/69/54/03/468695403.db2.gz LJTMGTWWHSVXGH-ZDUSSCGKSA-N 0 3 335.404 2.135 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(CC2CCC2)[C@H](C)CO)c1 ZINC000593029243 468844139 /nfs/dbraw/zinc/84/41/39/468844139.db2.gz OTUWZUPHAQYANU-GFCCVEGCSA-N 0 3 336.388 2.364 10 5 EEBEHN O=C(CCN1CCC(C2(O)CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593052180 468852230 /nfs/dbraw/zinc/85/22/30/468852230.db2.gz WVLDOMBBZPLGMX-UHFFFAOYSA-N 0 3 333.388 2.160 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593114613 468875981 /nfs/dbraw/zinc/87/59/81/468875981.db2.gz DQDKOAFXYNJUOX-JSGCOSHPSA-N 0 3 328.315 2.066 10 5 EEBEHN CN(C)CCn1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000610478089 468978178 /nfs/dbraw/zinc/97/81/78/468978178.db2.gz KEIFSLIEVVYLKJ-UHFFFAOYSA-N 0 3 346.391 2.017 10 5 EEBEHN CC(C)NC(=O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595851468 469045644 /nfs/dbraw/zinc/04/56/44/469045644.db2.gz UAZPGTWPCUJKAJ-AWEZNQCLSA-N 0 3 335.404 2.210 10 5 EEBEHN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(C2CCOCC2)CC1 ZINC000599053660 469101932 /nfs/dbraw/zinc/10/19/32/469101932.db2.gz FYQCPVACMHGTOR-UHFFFAOYSA-N 0 3 342.399 2.444 10 5 EEBEHN CN1CCC[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000588887048 469175287 /nfs/dbraw/zinc/17/52/87/469175287.db2.gz LCKQRXMYSPDFRD-CYBMUJFWSA-N 0 3 345.403 2.012 10 5 EEBEHN C[C@@H](C(=O)Nc1cnn(CCN(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000612469345 469475415 /nfs/dbraw/zinc/47/54/15/469475415.db2.gz RUFQXTQECXAVJQ-LLVKDONJSA-N 0 3 349.366 2.234 10 5 EEBEHN CN1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000217658330 485530747 /nfs/dbraw/zinc/53/07/47/485530747.db2.gz MWRUKLHZJNHQBT-UHFFFAOYSA-N 0 3 338.839 2.464 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000174255420 533890663 /nfs/dbraw/zinc/89/06/63/533890663.db2.gz YHFXIGPFELSZAC-CZUORRHYSA-N 0 3 334.420 2.261 10 5 EEBEHN Cc1nn(CN(C)[C@@H]2CCN(C3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292175 577681277 /nfs/dbraw/zinc/68/12/77/577681277.db2.gz PHAQVLHDAXZZMY-OAHLLOKOSA-N 0 3 329.404 2.379 10 5 EEBEHN Cc1c(COC(=O)C2CCCN(C3CC3)C2=O)cccc1[N+](=O)[O-] ZINC000924062082 678341517 /nfs/dbraw/zinc/34/15/17/678341517.db2.gz KJEOWNFUSOTAAB-CQSZACIVSA-N 0 3 332.356 2.347 10 5 EEBEHN C[C@H](NC[C@@H]1CCCCN1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075099 1198040427 /nfs/dbraw/zinc/04/04/27/1198040427.db2.gz OAJNPYCPCGGOJD-STQMWFEESA-N 0 3 325.384 2.231 10 5 EEBEHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CCC2)C1=O ZINC000866397135 1201507357 /nfs/dbraw/zinc/50/73/57/1201507357.db2.gz CXZDBZICZXAZNH-IAQYHMDHSA-N 0 3 335.379 2.408 10 5 EEBEHN CC1(C)CCNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000866804497 1201609648 /nfs/dbraw/zinc/60/96/48/1201609648.db2.gz YUQVPAHVGCUVAV-UHFFFAOYSA-N 0 3 347.824 2.011 10 5 EEBEHN CCN(CC)CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881861587 1201777626 /nfs/dbraw/zinc/77/76/26/1201777626.db2.gz BOTAWOGFRVRWSO-UHFFFAOYSA-N 0 3 344.209 2.315 10 5 EEBEHN O=C(CCC(F)F)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001490912440 1296791653 /nfs/dbraw/zinc/79/16/53/1296791653.db2.gz ZKQGPQPWPRPFTH-HAQNSBGRSA-N 0 3 327.331 2.377 10 5 EEBEHN CN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC001597315010 1349922079 /nfs/dbraw/zinc/92/20/79/1349922079.db2.gz WRHCTEPQBZFBIR-AWEZNQCLSA-N 0 3 328.372 2.213 10 5 EEBEHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136506645 786904876 /nfs/dbraw/zinc/90/48/76/786904876.db2.gz ZQYWDVUVIDMPPJ-UHFFFAOYSA-N 0 3 342.399 2.381 10 5 EEBEHN O=C(OCCn1ccc([N+](=O)[O-])n1)c1cccc(CN2CCCC2)c1 ZINC000785726399 806555744 /nfs/dbraw/zinc/55/57/44/806555744.db2.gz BSTBNLLXIJESKN-UHFFFAOYSA-N 0 3 344.371 2.244 10 5 EEBEHN Cc1cc(C)c(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001493599602 1108382773 /nfs/dbraw/zinc/38/27/73/1108382773.db2.gz FTVFEMAOXYHXQX-UHFFFAOYSA-N 0 3 330.388 2.402 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@](O)(CO)C3)o2)c1 ZINC000459665005 245201163 /nfs/dbraw/zinc/20/11/63/245201163.db2.gz BMYUGOVBUAOMBD-KRWDZBQOSA-N 0 3 332.356 2.174 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000069006798 159024951 /nfs/dbraw/zinc/02/49/51/159024951.db2.gz VGJAYTABLJAWGK-GFCCVEGCSA-N 0 3 339.367 2.103 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000342438705 161065723 /nfs/dbraw/zinc/06/57/23/161065723.db2.gz PFSHCQDDIBGLSG-WDEREUQCSA-N 0 3 341.358 2.357 10 5 EEBEHN NC(=O)c1ccc(CN2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000360342298 164287993 /nfs/dbraw/zinc/28/79/93/164287993.db2.gz IXSCPCQAVXXZJE-AWEZNQCLSA-N 0 3 340.383 2.153 10 5 EEBEHN COC(=O)CC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000280428548 269361291 /nfs/dbraw/zinc/36/12/91/269361291.db2.gz MIHBRCZCOXPGBB-UHFFFAOYSA-N 0 3 349.387 2.023 10 5 EEBEHN COc1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000347453832 465030572 /nfs/dbraw/zinc/03/05/72/465030572.db2.gz MPJQWXDINNRADH-AWEZNQCLSA-N 0 3 333.388 2.048 10 5 EEBEHN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(C2CC2)C1 ZINC000347911631 465304415 /nfs/dbraw/zinc/30/44/15/465304415.db2.gz LQUJEPWAPPBEQL-ZDUSSCGKSA-N 0 3 328.372 2.385 10 5 EEBEHN CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000073988229 462540892 /nfs/dbraw/zinc/54/08/92/462540892.db2.gz CZXOXVPNOGJZQY-KGLIPLIRSA-N 0 3 333.388 2.302 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000120199290 462973011 /nfs/dbraw/zinc/97/30/11/462973011.db2.gz FDKVIHCTXIGJGX-ZDUSSCGKSA-N 0 3 336.392 2.006 10 5 EEBEHN CN(C)C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000028881591 463235710 /nfs/dbraw/zinc/23/57/10/463235710.db2.gz LZSFQBBAUGUHGR-KRWDZBQOSA-N 0 3 343.383 2.393 10 5 EEBEHN C[C@@H]1C[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000172765457 464140470 /nfs/dbraw/zinc/14/04/70/464140470.db2.gz XGMPXDNSKCKGKI-DGCLKSJQSA-N 0 3 332.404 2.398 10 5 EEBEHN Cn1ccnc1[C@H](NC[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000272518830 464642797 /nfs/dbraw/zinc/64/27/97/464642797.db2.gz KSLCREBYPZMVFP-JKSUJKDBSA-N 0 3 329.404 2.102 10 5 EEBEHN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCN(C2CC2)C1 ZINC000348180209 465474695 /nfs/dbraw/zinc/47/46/95/465474695.db2.gz KUSYSJUCWQOFGU-OAHLLOKOSA-N 0 3 343.387 2.313 10 5 EEBEHN C[C@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000331111933 465938675 /nfs/dbraw/zinc/93/86/75/465938675.db2.gz ISUMFUKIWAMERR-VHSXEESVSA-N 0 3 327.331 2.014 10 5 EEBEHN CCN1CCN([C@H](C)CNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301515894 465976206 /nfs/dbraw/zinc/97/62/06/465976206.db2.gz JVNMMGUZTKRZBQ-GFCCVEGCSA-N 0 3 340.399 2.180 10 5 EEBEHN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C)[C@H]1CCN(C2CC2)C1 ZINC000349718444 466204641 /nfs/dbraw/zinc/20/46/41/466204641.db2.gz GCTJLMROKDZAOQ-HNNXBMFYSA-N 0 3 342.403 2.063 10 5 EEBEHN Cc1cc(NC[C@H](CO)c2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340940854 466451237 /nfs/dbraw/zinc/45/12/37/466451237.db2.gz SQHUOHMXTZSNCL-CQSZACIVSA-N 0 3 338.367 2.456 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCCN2CCSC[C@@H]2CCO)cc1 ZINC000347373620 466596550 /nfs/dbraw/zinc/59/65/50/466596550.db2.gz QFMXTKZOQSBUQF-AWEZNQCLSA-N 0 3 326.418 2.164 10 5 EEBEHN O=C(CCN1CCC[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411314300 466804364 /nfs/dbraw/zinc/80/43/64/466804364.db2.gz DQDZBEOVWSHLLP-BBRMVZONSA-N 0 3 333.388 2.424 10 5 EEBEHN Cc1cc(N2C[C@@H](C)N(CCO)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000419011141 467161458 /nfs/dbraw/zinc/16/14/58/467161458.db2.gz ZFIAETWBBGRIDF-KGLIPLIRSA-N 0 3 344.415 2.343 10 5 EEBEHN O=C1C[C@@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000414214511 467391807 /nfs/dbraw/zinc/39/18/07/467391807.db2.gz ZDEBFFSDCQZZEE-FZKQIMNGSA-N 0 3 325.368 2.410 10 5 EEBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CNCCC2(F)F)c1 ZINC000414999566 467465053 /nfs/dbraw/zinc/46/50/53/467465053.db2.gz KIENZDDRGQXEOH-LLVKDONJSA-N 0 3 337.273 2.283 10 5 EEBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC1CN(c2ccncn2)C1 ZINC000601158220 468763928 /nfs/dbraw/zinc/76/39/28/468763928.db2.gz PEFXADUYXTVDQX-QPEQYQDCSA-N 0 3 325.372 2.267 10 5 EEBEHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601175872 468771742 /nfs/dbraw/zinc/77/17/42/468771742.db2.gz RCBQNSPCFURTSG-QWHCGFSZSA-N 0 3 330.388 2.034 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)[C@@H]3CCCO3)o2)c1 ZINC000598989862 469079624 /nfs/dbraw/zinc/07/96/24/469079624.db2.gz DIJVLWCOYOUVMH-WBVHZDCISA-N 0 3 332.356 2.484 10 5 EEBEHN Nc1cc(N2CCN(C3CCCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588001425 469102750 /nfs/dbraw/zinc/10/27/50/469102750.db2.gz VUGGTLNEBYEHSV-UHFFFAOYSA-N 0 3 334.420 2.124 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@H]2CCCN2CCCO)ccc2cnccc21 ZINC000599086318 469113308 /nfs/dbraw/zinc/11/33/08/469113308.db2.gz JKQBMKBXYFUBSB-CQSZACIVSA-N 0 3 330.388 2.402 10 5 EEBEHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000610135710 469983028 /nfs/dbraw/zinc/98/30/28/469983028.db2.gz IWISXNDDPHFQLT-QWRGUYRKSA-N 0 3 347.462 2.150 10 5 EEBEHN COCCN1CCC(NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751527214 577754908 /nfs/dbraw/zinc/75/49/08/577754908.db2.gz GJZRCDJCIUNWCE-BUHFOSPRSA-N 0 3 347.415 2.225 10 5 EEBEHN Cc1ccc(I)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112151 675715369 /nfs/dbraw/zinc/71/53/69/675715369.db2.gz CMBRDQCNAWJLMX-QMMMGPOBSA-N 0 3 349.124 2.422 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)Cc1ccco1 ZINC001483499757 1190513870 /nfs/dbraw/zinc/51/38/70/1190513870.db2.gz XGCAXXQAJUUFPZ-UHFFFAOYSA-N 0 3 337.401 2.430 10 5 EEBEHN COCC1(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCC2)CC1 ZINC001484643309 1191451476 /nfs/dbraw/zinc/45/14/76/1191451476.db2.gz VSQMYVBPBJDXSW-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN COC1CCN(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872043553 1198033491 /nfs/dbraw/zinc/03/34/91/1198033491.db2.gz YURSWDHEECQDPA-LBPRGKRZSA-N 0 3 325.384 2.495 10 5 EEBEHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000874827786 1199022781 /nfs/dbraw/zinc/02/27/81/1199022781.db2.gz UDCHRVBDJIGCEV-YLFCFFPRSA-N 0 3 329.400 2.393 10 5 EEBEHN C[C@H]1[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000928453407 1206387053 /nfs/dbraw/zinc/38/70/53/1206387053.db2.gz KLDMIHINCXLTCS-DZGCQCFKSA-N 0 3 346.431 2.020 10 5 EEBEHN O=C(CCn1cccc1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001491065359 1258633323 /nfs/dbraw/zinc/63/33/23/1258633323.db2.gz DFHUDTXCNXPBHE-IYBDPMFKSA-N 0 3 342.399 2.223 10 5 EEBEHN CCC(=O)c1ccc(N2CCC(N3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853964785 1292560137 /nfs/dbraw/zinc/56/01/37/1292560137.db2.gz AOGIBURGAMETHI-OAHLLOKOSA-N 0 3 347.415 2.223 10 5 EEBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000859955309 1294724829 /nfs/dbraw/zinc/72/48/29/1294724829.db2.gz UGHSHEUIFWGOCI-VQHPVUNQSA-N 0 3 348.399 2.292 10 5 EEBEHN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001118914540 1308959143 /nfs/dbraw/zinc/95/91/43/1308959143.db2.gz AMUJOQYBJYEWKP-JKSUJKDBSA-N 0 3 347.415 2.011 10 5 EEBEHN Cc1nc(C)c(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001316851404 1331934335 /nfs/dbraw/zinc/93/43/35/1331934335.db2.gz WKLFSNGMTUFUMW-UHFFFAOYSA-N 0 3 345.403 2.187 10 5 EEBEHN CN(CC1CCOCC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483527 1338706346 /nfs/dbraw/zinc/70/63/46/1338706346.db2.gz JCMQXEMGIXVQRF-KRWDZBQOSA-N 0 3 347.415 2.227 10 5 EEBEHN COc1cc(C(=O)NCCN2CCC(C)(C)C2)cc([N+](=O)[O-])c1C ZINC001627621987 1352503926 /nfs/dbraw/zinc/50/39/26/1352503926.db2.gz YLAZEZUCCCRFPP-UHFFFAOYSA-N 0 3 335.404 2.374 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC(N[C@@H]2CCOC2)C1 ZINC001652275094 1354084819 /nfs/dbraw/zinc/08/48/19/1354084819.db2.gz LJZLWEQGGBROLO-MRVPVSSYSA-N 0 3 332.187 2.469 10 5 EEBEHN CC(C)c1ccccc1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001681657505 1358052130 /nfs/dbraw/zinc/05/21/30/1358052130.db2.gz CSSPBZPGHFBEPY-IAGOWNOFSA-N 0 3 331.416 2.119 10 5 EEBEHN CCn1cnc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001479808050 1099055084 /nfs/dbraw/zinc/05/50/84/1099055084.db2.gz OKMUMUDMQMYVRY-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)o1 ZINC001534447652 1123327677 /nfs/dbraw/zinc/32/76/77/1123327677.db2.gz IAWVMRFRUGLKLI-UHFFFAOYSA-N 0 3 346.387 2.404 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187307283 236173630 /nfs/dbraw/zinc/17/36/30/236173630.db2.gz CNAXHHJDXYVAKO-AWEZNQCLSA-N 0 3 342.399 2.080 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)c2ccccc2)n1 ZINC000191581065 237262851 /nfs/dbraw/zinc/26/28/51/237262851.db2.gz OYEJRQMPKBOLPJ-UHFFFAOYSA-N 0 3 331.376 2.020 10 5 EEBEHN C[C@@]12CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451377317 243094915 /nfs/dbraw/zinc/09/49/15/243094915.db2.gz XCUZAIBJOGWAMS-OPNLHGRLSA-N 0 3 327.384 2.338 10 5 EEBEHN COc1cc(CN2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000092616092 218154289 /nfs/dbraw/zinc/15/42/89/218154289.db2.gz YDJQLPCCIGFFDQ-CQSZACIVSA-N 0 3 335.404 2.282 10 5 EEBEHN C[C@H](NC(C)(C)CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270804897 256174096 /nfs/dbraw/zinc/17/40/96/256174096.db2.gz OIJWAKNQPHGBAD-LBPRGKRZSA-N 0 3 345.403 2.188 10 5 EEBEHN CCN1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359035128 164042034 /nfs/dbraw/zinc/04/20/34/164042034.db2.gz AALWTEDDSNLRAE-LLVKDONJSA-N 0 3 343.330 2.410 10 5 EEBEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177699314 276182927 /nfs/dbraw/zinc/18/29/27/276182927.db2.gz HXQJKCYQOIERGO-HNNXBMFYSA-N 0 3 334.420 2.258 10 5 EEBEHN COc1cnccc1N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000360242935 278076882 /nfs/dbraw/zinc/07/68/82/278076882.db2.gz SJVJXKBQWZKOLK-UHFFFAOYSA-N 0 3 349.778 2.373 10 5 EEBEHN CCO[C@H]1C[C@@](CO)(NCc2ccc([N+](=O)[O-])c(OC)c2)C1(C)C ZINC000444803975 315326311 /nfs/dbraw/zinc/32/63/11/315326311.db2.gz ONXRUXHMDVQMSM-RDJZCZTQSA-N 0 3 338.404 2.259 10 5 EEBEHN CN(CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000577597163 320264730 /nfs/dbraw/zinc/26/47/30/320264730.db2.gz MMGCANYQUQNAPN-UHFFFAOYSA-N 0 3 340.343 2.331 10 5 EEBEHN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(C2CC2)C1 ZINC000347911630 465304309 /nfs/dbraw/zinc/30/43/09/465304309.db2.gz LQUJEPWAPPBEQL-CYBMUJFWSA-N 0 3 328.372 2.385 10 5 EEBEHN Cc1sc(C(=O)N2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000045139264 462562241 /nfs/dbraw/zinc/56/22/41/462562241.db2.gz SQEQUOXQBQQKIM-UHFFFAOYSA-N 0 3 332.385 2.322 10 5 EEBEHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCN(C2CC2)CC1 ZINC000061604886 462592157 /nfs/dbraw/zinc/59/21/57/462592157.db2.gz KGDDLVMULGIYFT-UHFFFAOYSA-N 0 3 332.404 2.094 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCN1C ZINC000160422359 463337314 /nfs/dbraw/zinc/33/73/14/463337314.db2.gz HLNMNABBMQUREG-UWVGGRQHSA-N 0 3 327.331 2.428 10 5 EEBEHN Cc1cnn(CCN[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000105881598 463486178 /nfs/dbraw/zinc/48/61/78/463486178.db2.gz ZDMGAPPEZNACBA-ZDUSSCGKSA-N 0 3 331.376 2.025 10 5 EEBEHN CN1CCN([C@@H]2CCCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174890352 464464277 /nfs/dbraw/zinc/46/42/77/464464277.db2.gz ZISKDXFXRQNIPU-GOSISDBHSA-N 0 3 332.448 2.197 10 5 EEBEHN CC[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000246628963 464606506 /nfs/dbraw/zinc/60/65/06/464606506.db2.gz NZDUYHFERLKHPI-KBPBESRZSA-N 0 3 344.415 2.424 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000265919135 464733426 /nfs/dbraw/zinc/73/34/26/464733426.db2.gz BRQBOXUXZWSWRU-UKRRQHHQSA-N 0 3 344.415 2.491 10 5 EEBEHN O=C(CCN[C@H](CO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000182932130 464760717 /nfs/dbraw/zinc/76/07/17/464760717.db2.gz WXIUHTPHNNIJFW-OAHLLOKOSA-N 0 3 329.356 2.247 10 5 EEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000176836072 464862607 /nfs/dbraw/zinc/86/26/07/464862607.db2.gz QKQFMPVWAAWUKJ-HIFRSBDPSA-N 0 3 334.420 2.465 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)C[C@H]2C)c1 ZINC000343636779 465536165 /nfs/dbraw/zinc/53/61/65/465536165.db2.gz UVALLLUVERHRTG-OCCSQVGLSA-N 0 3 333.388 2.444 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000341063215 466553343 /nfs/dbraw/zinc/55/33/43/466553343.db2.gz DVYTVPHPWXPLEU-ZIAGYGMSSA-N 0 3 335.404 2.353 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2cccnc2)C2CC2)c1 ZINC000347350063 466585505 /nfs/dbraw/zinc/58/55/05/466585505.db2.gz QRLXFVNJVSOYHX-WMZOPIPTSA-N 0 3 343.383 2.470 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CNCCO2)c2ccccc2)c1 ZINC000423561996 466773827 /nfs/dbraw/zinc/77/38/27/466773827.db2.gz KFKDQNYIRRFTPY-ROUUACIJSA-N 0 3 327.384 2.262 10 5 EEBEHN CN1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000424184303 466999439 /nfs/dbraw/zinc/99/94/39/466999439.db2.gz DBNZUDFRKWMEGO-SNVBAGLBSA-N 0 3 343.330 2.154 10 5 EEBEHN COc1cc(CN2CCN(C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000488708847 468098076 /nfs/dbraw/zinc/09/80/76/468098076.db2.gz AVPZVTQQWPHODW-CQSZACIVSA-N 0 3 349.431 2.289 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN)C(F)(F)F ZINC000594451118 468593634 /nfs/dbraw/zinc/59/36/34/468593634.db2.gz KOXOJYILWXFRRR-SNVBAGLBSA-N 0 3 337.323 2.326 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600691611 468622312 /nfs/dbraw/zinc/62/23/12/468622312.db2.gz KUGBZSUOSZYNBN-AWEZNQCLSA-N 0 3 340.383 2.481 10 5 EEBEHN CCOc1ccc([C@@H](C)NCCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000592393045 468689041 /nfs/dbraw/zinc/68/90/41/468689041.db2.gz CMAPMAIAIZVYIR-GFCCVEGCSA-N 0 3 333.392 2.405 10 5 EEBEHN COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000583442192 468698195 /nfs/dbraw/zinc/69/81/95/468698195.db2.gz VGGIZWKQDUPFBJ-INIZCTEOSA-N 0 3 341.367 2.302 10 5 EEBEHN CC(C)CN(C)CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593479663 468998435 /nfs/dbraw/zinc/99/84/35/468998435.db2.gz HYEJWTJESCZRNW-UHFFFAOYSA-N 0 3 349.478 2.450 10 5 EEBEHN CC[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N(CC)CC ZINC000601782686 469022756 /nfs/dbraw/zinc/02/27/56/469022756.db2.gz ZVJUEPNKJRSGMB-DOTOQJQBSA-N 0 3 337.420 2.039 10 5 EEBEHN NC(=O)c1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC000595909668 469077066 /nfs/dbraw/zinc/07/70/66/469077066.db2.gz MMUPLZDHIPGIFU-HDICACEKSA-N 0 3 345.399 2.086 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC[C@@]2(O)CCOC2)o1 ZINC000593669801 469085876 /nfs/dbraw/zinc/08/58/76/469085876.db2.gz BCPVLHZTUCQYOO-QGZVFWFLSA-N 0 3 332.356 2.486 10 5 EEBEHN COCCN(C)CCNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596103224 469156574 /nfs/dbraw/zinc/15/65/74/469156574.db2.gz ADYOGQMEOOPTFL-UHFFFAOYSA-N 0 3 345.783 2.025 10 5 EEBEHN CCN(CC)C(=O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578602 577462989 /nfs/dbraw/zinc/46/29/89/577462989.db2.gz GUUWPQILNUOIRW-KRWDZBQOSA-N 0 3 349.431 2.209 10 5 EEBEHN CCOCC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001266602023 1176928270 /nfs/dbraw/zinc/92/82/70/1176928270.db2.gz SKFVABAWWSVIGK-SHTZXODSSA-N 0 3 347.415 2.148 10 5 EEBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1ccon1 ZINC001273048781 1194352677 /nfs/dbraw/zinc/35/26/77/1194352677.db2.gz WNUATVAJSIXYPZ-UHFFFAOYSA-N 0 3 330.344 2.025 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1coc(C)n1 ZINC001273340624 1198239968 /nfs/dbraw/zinc/23/99/68/1198239968.db2.gz DQTHBQMUGMZYGU-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCCN3CCO)sc2c1 ZINC000828460989 1201971877 /nfs/dbraw/zinc/97/18/77/1201971877.db2.gz HFEGPBAQJBVYPV-GFCCVEGCSA-N 0 3 336.417 2.463 10 5 EEBEHN Cc1cccc([C@H](O)CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000931468641 1207388391 /nfs/dbraw/zinc/38/83/91/1207388391.db2.gz AIENRWBIWWTWJO-MSOLQXFVSA-N 0 3 330.384 2.434 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@H]3CO2)ccc2cnccc21 ZINC000858374499 1294099651 /nfs/dbraw/zinc/09/96/51/1294099651.db2.gz NWBZOAVPROFFLB-UONOGXRCSA-N 0 3 328.372 2.418 10 5 EEBEHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001142649667 1315687646 /nfs/dbraw/zinc/68/76/46/1315687646.db2.gz YLHDFPPXTJCZJA-UHFFFAOYSA-N 0 3 328.372 2.385 10 5 EEBEHN Cc1c[nH]c(C(=O)N(C)CCCN(C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001327272343 1334256940 /nfs/dbraw/zinc/25/69/40/1334256940.db2.gz ZPFZXWNJTOERFB-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN COc1ccc(CCNCc2cc(OC)c(OC)cc2[N+](=O)[O-])cn1 ZINC001329530528 1334669671 /nfs/dbraw/zinc/66/96/71/1334669671.db2.gz NBFNLXJTBVDWIJ-UHFFFAOYSA-N 0 3 347.371 2.348 10 5 EEBEHN NC(=O)C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC001617104723 1352336355 /nfs/dbraw/zinc/33/63/55/1352336355.db2.gz XGNHGIUEZSDYQF-CQSZACIVSA-N 0 3 341.795 2.008 10 5 EEBEHN CC(C)(C)OCC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001566835980 1342639985 /nfs/dbraw/zinc/63/99/85/1342639985.db2.gz RWCIGSXKNWCRGH-OKILXGFUSA-N 0 3 335.404 2.147 10 5 EEBEHN CC[C@@H](C)N[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC001638679779 1352690693 /nfs/dbraw/zinc/69/06/93/1352690693.db2.gz FVXTZRXEAGABEV-ZYHUDNBSSA-N 0 3 347.375 2.024 10 5 EEBEHN CCN1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C(C)(C)C1 ZINC001639265906 1352696242 /nfs/dbraw/zinc/69/62/42/1352696242.db2.gz DCQMAOLLVPZAFI-OAHLLOKOSA-N 0 3 335.404 2.129 10 5 EEBEHN COc1ccc2ncc([N+](=O)[O-])c(NCCN3CCCCC3)c2c1 ZINC001651374007 1354050623 /nfs/dbraw/zinc/05/06/23/1354050623.db2.gz XZFBWXPQBQPEPP-UHFFFAOYSA-N 0 3 330.388 2.471 10 5 EEBEHN C[C@@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccnn1C ZINC001655380866 1354171615 /nfs/dbraw/zinc/17/16/15/1354171615.db2.gz HHTPJMDSMZWHCC-SNVBAGLBSA-N 0 3 335.339 2.147 10 5 EEBEHN O=C(CCN[C@@H]1CCCn2nccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC001655421711 1354173285 /nfs/dbraw/zinc/17/32/85/1354173285.db2.gz LUKBKOMCOISBFA-CQSZACIVSA-N 0 3 329.360 2.245 10 5 EEBEHN Cn1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000819182444 785451805 /nfs/dbraw/zinc/45/18/05/785451805.db2.gz CUESQIUGCBTJST-GFCCVEGCSA-N 0 3 344.293 2.170 10 5 EEBEHN Cc1nc(C)c(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001566442502 1125604432 /nfs/dbraw/zinc/60/44/32/1125604432.db2.gz WFUMEWOEGPAYMF-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC001497566201 1102677819 /nfs/dbraw/zinc/67/78/19/1102677819.db2.gz IAGUPQDPHPYZJZ-OWOJBTEDSA-N 0 3 344.346 2.205 10 5 EEBEHN CC(C)c1ccc2c(c1)CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001460971117 1110330601 /nfs/dbraw/zinc/33/06/01/1110330601.db2.gz GUXMUTLWEVNYDG-SFHVURJKSA-N 0 3 344.415 2.334 10 5 EEBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc2cnccc2o1 ZINC001473743517 1110579500 /nfs/dbraw/zinc/57/95/00/1110579500.db2.gz GUYGVCWRRLNZME-LLVKDONJSA-N 0 3 328.328 2.249 10 5 EEBEHN O=C(CN1CCC[C@H]1CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000069078780 215358207 /nfs/dbraw/zinc/35/82/07/215358207.db2.gz CVNGQRNLFHPSKJ-KRWDZBQOSA-N 0 3 346.431 2.484 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C2CCCCC2)n1 ZINC000191578038 237260533 /nfs/dbraw/zinc/26/05/33/237260533.db2.gz BDMHMCPGEQQPGC-UHFFFAOYSA-N 0 3 337.424 2.148 10 5 EEBEHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)CN1CCO ZINC000419009375 239396159 /nfs/dbraw/zinc/39/61/59/239396159.db2.gz VXPFMMUKZQTKEU-CHWSQXEVSA-N 0 3 330.388 2.034 10 5 EEBEHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451343717 243083714 /nfs/dbraw/zinc/08/37/14/243083714.db2.gz OVXLSFYVSAFFSI-ZMSDIMECSA-N 0 3 347.415 2.209 10 5 EEBEHN CCOC(=O)COCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546767 243152804 /nfs/dbraw/zinc/15/28/04/243152804.db2.gz JTCJBVZIJVLANK-HNNXBMFYSA-N 0 3 336.388 2.354 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)CC3CCCC3)C2)nc1 ZINC000190878353 152227733 /nfs/dbraw/zinc/22/77/33/152227733.db2.gz SOJRVJJEUKDSET-GDBMZVCRSA-N 0 3 334.420 2.417 10 5 EEBEHN CN(CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000359039082 164043390 /nfs/dbraw/zinc/04/33/90/164043390.db2.gz IMCGVJIYJNIICF-UHFFFAOYSA-N 0 3 329.303 2.020 10 5 EEBEHN COC(=O)c1cnc(N2CCN(C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000292149804 275384810 /nfs/dbraw/zinc/38/48/10/275384810.db2.gz CELXNXKYLOGANP-LBPRGKRZSA-N 0 3 348.403 2.087 10 5 EEBEHN Cn1cc([C@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116320605 462752835 /nfs/dbraw/zinc/75/28/35/462752835.db2.gz ZLFNICWNDZLOGB-ZDUSSCGKSA-N 0 3 343.387 2.146 10 5 EEBEHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000157778461 463168493 /nfs/dbraw/zinc/16/84/93/463168493.db2.gz OVNLIMGNLABEIL-LBPRGKRZSA-N 0 3 347.419 2.367 10 5 EEBEHN C[C@H]1CCCCN1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000079914535 463261059 /nfs/dbraw/zinc/26/10/59/463261059.db2.gz PDMYXZJUIXWBGI-NSHDSACASA-N 0 3 331.376 2.118 10 5 EEBEHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000069774450 463322030 /nfs/dbraw/zinc/32/20/30/463322030.db2.gz SERXPVFYNBGNID-UHFFFAOYSA-N 0 3 343.431 2.388 10 5 EEBEHN O=[N+]([O-])c1cc(CN2CCC(CN3CCOCC3)CC2)cs1 ZINC000056494567 463403932 /nfs/dbraw/zinc/40/39/32/463403932.db2.gz XUSNZOGMGZRVOU-UHFFFAOYSA-N 0 3 325.434 2.201 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000177700156 463769769 /nfs/dbraw/zinc/76/97/69/463769769.db2.gz RXFWVTKNMVTNSX-IAGOWNOFSA-N 0 3 346.431 2.116 10 5 EEBEHN CC(C)NC(=O)c1ccc(N2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000171831721 463933904 /nfs/dbraw/zinc/93/39/04/463933904.db2.gz ABTXREHDVCGGEE-UHFFFAOYSA-N 0 3 346.431 2.408 10 5 EEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000246619042 464605912 /nfs/dbraw/zinc/60/59/12/464605912.db2.gz SQCAYJUGXOQSLR-OLZOCXBDSA-N 0 3 333.388 2.302 10 5 EEBEHN C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000351919400 465442546 /nfs/dbraw/zinc/44/25/46/465442546.db2.gz PMCPWSOJUAWJRL-SNVBAGLBSA-N 0 3 347.462 2.007 10 5 EEBEHN CN1CCC[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094697 468441634 /nfs/dbraw/zinc/44/16/34/468441634.db2.gz IBODJBWPMCBCDJ-VIFPVBQESA-N 0 3 327.772 2.046 10 5 EEBEHN C[C@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301685661 466008502 /nfs/dbraw/zinc/00/85/02/466008502.db2.gz LLQOHJCHKXMXBI-NSHDSACASA-N 0 3 334.376 2.212 10 5 EEBEHN CN(CCNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccc(F)cc1 ZINC000302009678 466077619 /nfs/dbraw/zinc/07/76/19/466077619.db2.gz VQCXCCFNYFENBN-UHFFFAOYSA-N 0 3 344.350 2.321 10 5 EEBEHN N[C@H](CC1CCCCC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423829738 466864378 /nfs/dbraw/zinc/86/43/78/466864378.db2.gz SOMOFJORXNLGDG-OAHLLOKOSA-N 0 3 332.404 2.172 10 5 EEBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420385710 467389238 /nfs/dbraw/zinc/38/92/38/467389238.db2.gz UELCJNBUSMVVOR-MLGOLLRUSA-N 0 3 330.392 2.043 10 5 EEBEHN CCc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590399914 468247012 /nfs/dbraw/zinc/24/70/12/468247012.db2.gz FDHRCRLSCCODFQ-WBVHZDCISA-N 0 3 347.415 2.092 10 5 EEBEHN CC[C@H]1CN(C)CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597603259 468613796 /nfs/dbraw/zinc/61/37/96/468613796.db2.gz AVSJQGQKVGWPJC-NSHDSACASA-N 0 3 341.358 2.358 10 5 EEBEHN NC[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000594525854 468615867 /nfs/dbraw/zinc/61/58/67/468615867.db2.gz XDVGIMODBZGHGW-LBPRGKRZSA-N 0 3 346.309 2.158 10 5 EEBEHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)OC(C)(C)C ZINC000570276764 468616274 /nfs/dbraw/zinc/61/62/74/468616274.db2.gz QWAKFUPAOGCSGY-QWHCGFSZSA-N 0 3 338.408 2.091 10 5 EEBEHN CC(C)(C)Oc1cc(N2CCN3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594603075 468632713 /nfs/dbraw/zinc/63/27/13/468632713.db2.gz HZHRFXXGCRESER-UONOGXRCSA-N 0 3 335.404 2.027 10 5 EEBEHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963214 468732433 /nfs/dbraw/zinc/73/24/33/468732433.db2.gz HVMSHSWRTAYWLK-DJSGYFEHSA-N 0 3 326.368 2.390 10 5 EEBEHN O=[N+]([O-])c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000594976305 468736008 /nfs/dbraw/zinc/73/60/08/468736008.db2.gz ZFBPBPCJKKVSST-IBGZPJMESA-N 0 3 341.411 2.451 10 5 EEBEHN O=[N+]([O-])c1ccc(CNCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 ZINC000594976305 468736016 /nfs/dbraw/zinc/73/60/16/468736016.db2.gz ZFBPBPCJKKVSST-IBGZPJMESA-N 0 3 341.411 2.451 10 5 EEBEHN CC(C)N1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601110961 468744913 /nfs/dbraw/zinc/74/49/13/468744913.db2.gz MIBOMEBLXLEYCY-UHFFFAOYSA-N 0 3 335.330 2.268 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](CO)c1cccnc1 ZINC000595046819 468749218 /nfs/dbraw/zinc/74/92/18/468749218.db2.gz BIKDSGJSLNNOAI-GXTWGEPZSA-N 0 3 331.372 2.425 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](CO)c1cccnc1 ZINC000595046820 468749380 /nfs/dbraw/zinc/74/93/80/468749380.db2.gz BIKDSGJSLNNOAI-JSGCOSHPSA-N 0 3 331.372 2.425 10 5 EEBEHN CCOC(=O)c1cnc2c(cccc2[N+](=O)[O-])c1N1CC(N(C)C)C1 ZINC000601135619 468755870 /nfs/dbraw/zinc/75/58/70/468755870.db2.gz HYKRKPWGNJKORE-UHFFFAOYSA-N 0 3 344.371 2.070 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000598220888 468796644 /nfs/dbraw/zinc/79/66/44/468796644.db2.gz QVYOTJKENIORHQ-CYBMUJFWSA-N 0 3 332.404 2.435 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000593026539 468844905 /nfs/dbraw/zinc/84/49/05/468844905.db2.gz CKKVQXLFDRHTAI-CQSZACIVSA-N 0 3 342.351 2.344 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]C(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601429636 468868640 /nfs/dbraw/zinc/86/86/40/468868640.db2.gz KSSVKQZWMWYDDW-UHFFFAOYSA-N 0 3 349.478 2.363 10 5 EEBEHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000610733129 469053929 /nfs/dbraw/zinc/05/39/29/469053929.db2.gz CDXOMJDZEYXXMF-KRWDZBQOSA-N 0 3 347.415 2.312 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@]3(O)CCOC3)o2)c1 ZINC000593670247 469087200 /nfs/dbraw/zinc/08/72/00/469087200.db2.gz HAHVGORWTJYMIV-KRWDZBQOSA-N 0 3 332.356 2.486 10 5 EEBEHN CNC(=O)c1ccc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599166570 469146045 /nfs/dbraw/zinc/14/60/45/469146045.db2.gz YAVZHILSFRWGFP-CQSZACIVSA-N 0 3 332.404 2.383 10 5 EEBEHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)CC3(O)CCC3)C2)cc1 ZINC000599433921 469254606 /nfs/dbraw/zinc/25/46/06/469254606.db2.gz MYUAKYAOTYQALL-DOTOQJQBSA-N 0 3 334.416 2.440 10 5 EEBEHN COc1ccc(CN2CCC(C)(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000599618100 469311753 /nfs/dbraw/zinc/31/17/53/469311753.db2.gz PORZQQRXNMAKAD-UHFFFAOYSA-N 0 3 349.431 2.290 10 5 EEBEHN CCOc1ccc([C@H](C)NC[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152724890 528606781 /nfs/dbraw/zinc/60/67/81/528606781.db2.gz WTSZUAPFRDESHG-KBPBESRZSA-N 0 3 337.420 2.365 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000771258574 577612655 /nfs/dbraw/zinc/61/26/55/577612655.db2.gz WYYYRVOLJHCQLR-CHWSQXEVSA-N 0 3 329.397 2.224 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752016531 577764615 /nfs/dbraw/zinc/76/46/15/577764615.db2.gz YVIUDOQIJGDCHI-AINHQSCGSA-N 0 3 347.415 2.225 10 5 EEBEHN Cc1c(CNCCN2C[C@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000895344651 684521383 /nfs/dbraw/zinc/52/13/83/684521383.db2.gz NHNYYYMFTCFTKC-OAHLLOKOSA-N 0 3 332.404 2.283 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000925322412 692043136 /nfs/dbraw/zinc/04/31/36/692043136.db2.gz XKWISOGMVUHIFR-PSASIEDQSA-N 0 3 344.318 2.410 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)COC1CCCCC1 ZINC001267393783 1178964180 /nfs/dbraw/zinc/96/41/80/1178964180.db2.gz TUHRVGWDZUTXDP-UHFFFAOYSA-N 0 3 349.431 2.492 10 5 EEBEHN Cc1nnsc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001483451975 1190484186 /nfs/dbraw/zinc/48/41/86/1190484186.db2.gz OCLFBGFSVSAEBB-UHFFFAOYSA-N 0 3 349.416 2.007 10 5 EEBEHN Cc1n[nH]cc1C(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001484751955 1191507855 /nfs/dbraw/zinc/50/78/55/1191507855.db2.gz JJHIQBQPQRELBV-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1cnco1 ZINC001273130044 1194413441 /nfs/dbraw/zinc/41/34/41/1194413441.db2.gz YFSUWUPGLVTHNR-UHFFFAOYSA-N 0 3 330.344 2.025 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000928433556 1206383022 /nfs/dbraw/zinc/38/30/22/1206383022.db2.gz MPNMUTNPGSRDML-GZMMTYOYSA-N 0 3 331.294 2.436 10 5 EEBEHN Cc1ccc(C(=O)OC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC001123345027 1310531082 /nfs/dbraw/zinc/53/10/82/1310531082.db2.gz DTMFLZFBWXHGDE-HNNXBMFYSA-N 0 3 334.372 2.313 10 5 EEBEHN CCN(CCCNC(=O)c1cnsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265101084 1322920106 /nfs/dbraw/zinc/92/01/06/1322920106.db2.gz APPRHKUCGQDPQQ-UHFFFAOYSA-N 0 3 349.416 2.088 10 5 EEBEHN CCN(CCCNC(=O)c1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265101647 1322920167 /nfs/dbraw/zinc/92/01/67/1322920167.db2.gz SXNABOUMBNCTKE-UHFFFAOYSA-N 0 3 332.360 2.225 10 5 EEBEHN CCn1ccnc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001316821168 1331913320 /nfs/dbraw/zinc/91/33/20/1331913320.db2.gz MPEFRMKFHZZKTR-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cccn1C ZINC001320680749 1332934405 /nfs/dbraw/zinc/93/44/05/1332934405.db2.gz PJMRIABNWDVXGQ-UHFFFAOYSA-N 0 3 330.388 2.185 10 5 EEBEHN O=[N+]([O-])c1ccc(CNCC[C@H]2CCCS2(=O)=O)cc1Cl ZINC001353605244 1338302451 /nfs/dbraw/zinc/30/24/51/1338302451.db2.gz JJLNVOKASHUNFE-LLVKDONJSA-N 0 3 332.809 2.305 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccnn1C ZINC001655381053 1354171471 /nfs/dbraw/zinc/17/14/71/1354171471.db2.gz IZHVSKYJWVQCQK-NSHDSACASA-N 0 3 347.375 2.016 10 5 EEBEHN Cc1nc(C(=O)N(C)CCCN(C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001502176102 1113628334 /nfs/dbraw/zinc/62/83/34/1113628334.db2.gz JBTHFYADPMAQRC-UHFFFAOYSA-N 0 3 346.387 2.485 10 5 EEBEHN COc1ccc(CN2CCNC[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000262243775 160447497 /nfs/dbraw/zinc/44/74/97/160447497.db2.gz PHDFDXXVJBQEMA-INIZCTEOSA-N 0 3 328.372 2.145 10 5 EEBEHN Cc1c(C(=O)N2CCN3CCC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195450781 160212980 /nfs/dbraw/zinc/21/29/80/160212980.db2.gz SIXPAIYJOMMFDG-LBPRGKRZSA-N 0 3 348.359 2.040 10 5 EEBEHN CCCCN(C)C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000341932920 161025461 /nfs/dbraw/zinc/02/54/61/161025461.db2.gz CKUMVKANRAWGOV-ZDUSSCGKSA-N 0 3 343.449 2.135 10 5 EEBEHN COc1cc(CN2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000351970944 162008386 /nfs/dbraw/zinc/00/83/86/162008386.db2.gz MJVPFRSJDHYWEB-UHFFFAOYSA-N 0 3 349.431 2.148 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)cc1C(F)(F)F ZINC000171506917 227115558 /nfs/dbraw/zinc/11/55/58/227115558.db2.gz NOKCPFPRINOAMO-UHFFFAOYSA-N 0 3 333.310 2.118 10 5 EEBEHN COc1cc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000564808788 319111994 /nfs/dbraw/zinc/11/19/94/319111994.db2.gz CEGFPNQZEUKMSC-HOTGVXAUSA-N 0 3 349.431 2.336 10 5 EEBEHN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000565231044 319164910 /nfs/dbraw/zinc/16/49/10/319164910.db2.gz YVQLEUYPAQFVRL-HUUCEWRRSA-N 0 3 348.447 2.066 10 5 EEBEHN C[C@H]1COCCN1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000575327564 320101329 /nfs/dbraw/zinc/10/13/29/320101329.db2.gz YSKSBUAKIGLPPK-LBPRGKRZSA-N 0 3 325.434 2.341 10 5 EEBEHN CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000105836976 463476880 /nfs/dbraw/zinc/47/68/80/463476880.db2.gz LYENHZZZNAPDCG-OAHLLOKOSA-N 0 3 337.420 2.016 10 5 EEBEHN CCOC(=O)c1ccnc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246163224 464552853 /nfs/dbraw/zinc/55/28/53/464552853.db2.gz IEWBZBMXSRQKLG-NWDGAFQWSA-N 0 3 336.392 2.085 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC000183223916 464825764 /nfs/dbraw/zinc/82/57/64/464825764.db2.gz SNYSXEUXOLLMDS-MJVIPROJSA-N 0 3 337.376 2.088 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177005190 464903648 /nfs/dbraw/zinc/90/36/48/464903648.db2.gz NVRKNNWMFGWCIJ-GFCCVEGCSA-N 0 3 336.348 2.059 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286538582 464953240 /nfs/dbraw/zinc/95/32/40/464953240.db2.gz VOBGFXLCDYKTRH-GXTWGEPZSA-N 0 3 348.403 2.148 10 5 EEBEHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268234780 464985957 /nfs/dbraw/zinc/98/59/57/464985957.db2.gz SXLIVRZKYZIJOL-MGPLVRAMSA-N 0 3 328.372 2.289 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000359095891 465376839 /nfs/dbraw/zinc/37/68/39/465376839.db2.gz KOTGWAKHALHMNP-HOCLYGCPSA-N 0 3 347.463 2.069 10 5 EEBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000353978789 466296696 /nfs/dbraw/zinc/29/66/96/466296696.db2.gz NSAFJBVUXWWDLF-CHWSQXEVSA-N 0 3 340.445 2.471 10 5 EEBEHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229896 468502480 /nfs/dbraw/zinc/50/24/80/468502480.db2.gz WWXCAJHCNVYBQP-INIZCTEOSA-N 0 3 347.415 2.497 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000376159887 466895659 /nfs/dbraw/zinc/89/56/59/466895659.db2.gz ZXXVMZWLKPUMHL-CYBMUJFWSA-N 0 3 348.403 2.149 10 5 EEBEHN NC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000594451650 468593463 /nfs/dbraw/zinc/59/34/63/468593463.db2.gz QEGCFMKURLORAR-MRVPVSSYSA-N 0 3 345.199 2.233 10 5 EEBEHN COc1ccc(CN[C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000594968382 468733309 /nfs/dbraw/zinc/73/33/09/468733309.db2.gz WPWHTJVIISWPES-SOUVJXGZSA-N 0 3 338.404 2.259 10 5 EEBEHN CN1CCC(n2cc(Nc3c(Cl)cncc3[N+](=O)[O-])cn2)CC1 ZINC000601227869 468789148 /nfs/dbraw/zinc/78/91/48/468789148.db2.gz YCBGLIRCPQDTFC-UHFFFAOYSA-N 0 3 336.783 2.272 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595468725 468864739 /nfs/dbraw/zinc/86/47/39/468864739.db2.gz KXZHLAIFCJWSKF-HNNXBMFYSA-N 0 3 334.420 2.309 10 5 EEBEHN CC[C@@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000598536569 468904644 /nfs/dbraw/zinc/90/46/44/468904644.db2.gz SKNBBYGTRHPEHD-UONOGXRCSA-N 0 3 335.404 2.271 10 5 EEBEHN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1CCO ZINC000593480021 468998416 /nfs/dbraw/zinc/99/84/16/468998416.db2.gz SZDBXOMCKTXMCH-OLZOCXBDSA-N 0 3 330.388 2.034 10 5 EEBEHN CC(C)NC(=O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595848157 469041622 /nfs/dbraw/zinc/04/16/22/469041622.db2.gz AUWDSNCIBUYESU-AWEZNQCLSA-N 0 3 335.404 2.210 10 5 EEBEHN CC(C)c1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000588814718 469167502 /nfs/dbraw/zinc/16/75/02/469167502.db2.gz XUJPVNFSRDNVHJ-GOSISDBHSA-N 0 3 349.431 2.247 10 5 EEBEHN O=[N+]([O-])c1cnc(N2CCC(N3CCCOCC3)CC2)c(Cl)c1 ZINC000596268943 469227552 /nfs/dbraw/zinc/22/75/52/469227552.db2.gz OBOGVWXIDYCRNG-UHFFFAOYSA-N 0 3 340.811 2.334 10 5 EEBEHN CC1(N2CCOCC2)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000599618628 469311968 /nfs/dbraw/zinc/31/19/68/469311968.db2.gz QGZVGZDUVGNJBZ-UHFFFAOYSA-N 0 3 349.431 2.160 10 5 EEBEHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000531634893 485538913 /nfs/dbraw/zinc/53/89/13/485538913.db2.gz JLSLWCNXDDPZNB-HNNXBMFYSA-N 0 3 342.399 2.280 10 5 EEBEHN CC[C@@H](N[C@@H](C)C(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537135 529198810 /nfs/dbraw/zinc/19/88/10/529198810.db2.gz HPADXRZUOHXETO-WMLDXEAASA-N 0 3 348.447 2.188 10 5 EEBEHN COCCN1CCCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751503027 577754411 /nfs/dbraw/zinc/75/44/11/577754411.db2.gz WKOPZKABZRUNDI-CCEZHUSRSA-N 0 3 347.415 2.179 10 5 EEBEHN Cc1nc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001691525852 1186240750 /nfs/dbraw/zinc/24/07/50/1186240750.db2.gz TWLPLDYCXIUYOV-UHFFFAOYSA-N 0 3 332.360 2.061 10 5 EEBEHN CC(COC(=O)C1(c2ccc(F)cc2F)CCOCC1)[N+](=O)[O-] ZINC000813108672 1201120151 /nfs/dbraw/zinc/12/01/51/1201120151.db2.gz JOGJBMMYGGJYNK-SNVBAGLBSA-N 0 3 329.299 2.221 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136935354 1202471254 /nfs/dbraw/zinc/47/12/54/1202471254.db2.gz PSDBRLJPHIVMSL-GFCCVEGCSA-N 0 3 341.795 2.089 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1cccn1C ZINC001275875782 1205573087 /nfs/dbraw/zinc/57/30/87/1205573087.db2.gz KWOKOOBTSORNSM-UHFFFAOYSA-N 0 3 330.388 2.185 10 5 EEBEHN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1CCCN(C2CC2)C1=O ZINC000924059801 1205932548 /nfs/dbraw/zinc/93/25/48/1205932548.db2.gz UJJQHJQBRLJQCA-GFCCVEGCSA-N 0 3 336.319 2.178 10 5 EEBEHN CC(C)OCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001263826037 1322529815 /nfs/dbraw/zinc/52/98/15/1322529815.db2.gz PPDBHCLGXGTWNK-OTVXOJSOSA-N 0 3 335.404 2.004 10 5 EEBEHN CN(CCOCCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C ZINC001279456940 1323907569 /nfs/dbraw/zinc/90/75/69/1323907569.db2.gz BWLMUKAKBOIJBJ-UHFFFAOYSA-N 0 3 337.420 2.206 10 5 EEBEHN O=C(/C=C\c1ccc[nH]1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001317074523 1332070065 /nfs/dbraw/zinc/07/00/65/1332070065.db2.gz FBIVCQJRPDUSPF-QNQPZSPESA-N 0 3 340.383 2.373 10 5 EEBEHN CC(=O)NCCCCCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001328491696 1334467165 /nfs/dbraw/zinc/46/71/65/1334467165.db2.gz HFZUFKRVWMRICR-UHFFFAOYSA-N 0 3 348.447 2.019 10 5 EEBEHN Cc1nc(C(=O)N(C)CCCN(C)Cc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC001570192324 1343030077 /nfs/dbraw/zinc/03/00/77/1343030077.db2.gz CUZYNMPPFWHHQR-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN CN1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001635643552 1352649908 /nfs/dbraw/zinc/64/99/08/1352649908.db2.gz CSZNANVPVQGYQJ-OAHLLOKOSA-N 0 3 334.420 2.243 10 5 EEBEHN CCOc1ccc(NC(=O)CN[C@@H](C)C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001648391277 1353428295 /nfs/dbraw/zinc/42/82/95/1353428295.db2.gz DMAFQIXZMRKOJT-NSHDSACASA-N 0 3 339.392 2.335 10 5 EEBEHN NC(=O)CC1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC001648567524 1353435003 /nfs/dbraw/zinc/43/50/03/1353435003.db2.gz MBIIDHMVRURYNR-UHFFFAOYSA-N 0 3 331.376 2.139 10 5 EEBEHN Cc1ncc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001668740353 1355995708 /nfs/dbraw/zinc/99/57/08/1355995708.db2.gz ULTOCVQVSXLJNO-IHWYPQMZSA-N 0 3 346.412 2.436 10 5 EEBEHN CN(CCCN(C)C(=O)Cc1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001673491698 1356695861 /nfs/dbraw/zinc/69/58/61/1356695861.db2.gz PHLKQGNIQKQSMN-UHFFFAOYSA-N 0 3 344.415 2.446 10 5 EEBEHN Cn1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000819184359 785452797 /nfs/dbraw/zinc/45/27/97/785452797.db2.gz YNRNZDPEQVOEHP-LBPRGKRZSA-N 0 3 344.293 2.170 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1snnc1C ZINC001568723251 1124739712 /nfs/dbraw/zinc/73/97/12/1124739712.db2.gz HOJZAWROAZXJRD-UHFFFAOYSA-N 0 3 349.416 2.007 10 5 EEBEHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432374 161065118 /nfs/dbraw/zinc/06/51/18/161065118.db2.gz FQVQNMYCRIBNAA-ZUZCIYMTSA-N 0 3 341.358 2.214 10 5 EEBEHN C[C@@H]1CN2CCC[C@@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000113248339 274374612 /nfs/dbraw/zinc/37/46/12/274374612.db2.gz JGBBYEADUVPEGH-DGCLKSJQSA-N 0 3 330.388 2.152 10 5 EEBEHN Cc1nn(C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000289479738 275119849 /nfs/dbraw/zinc/11/98/49/275119849.db2.gz XUUGZKOXUQXYLK-INIZCTEOSA-N 0 3 330.388 2.391 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245461735 276170227 /nfs/dbraw/zinc/17/02/27/276170227.db2.gz FZOCDFCGBBRDTF-ZIAGYGMSSA-N 0 3 334.420 2.338 10 5 EEBEHN CC(C)C1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000293167875 293142243 /nfs/dbraw/zinc/14/22/43/293142243.db2.gz WADNRHIKCNKHPC-UHFFFAOYSA-N 0 3 346.431 2.022 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415583469 313148538 /nfs/dbraw/zinc/14/85/38/313148538.db2.gz RDPSXXWCELMASE-LBPRGKRZSA-N 0 3 328.319 2.330 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600346 468283882 /nfs/dbraw/zinc/28/38/82/468283882.db2.gz OEVAIJGUPFXMHV-NSHDSACASA-N 0 3 330.392 2.544 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116749151 462771098 /nfs/dbraw/zinc/77/10/98/462771098.db2.gz WEDXQLTVAVJUSW-LBPRGKRZSA-N 0 3 341.795 2.180 10 5 EEBEHN C[NH+](C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000066327314 462875001 /nfs/dbraw/zinc/87/50/01/462875001.db2.gz HWEFSUXTNJRJOI-UHFFFAOYSA-N 0 3 347.462 2.199 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000156502723 463032439 /nfs/dbraw/zinc/03/24/39/463032439.db2.gz CVKMQGQRNBZVST-CQSZACIVSA-N 0 3 334.420 2.311 10 5 EEBEHN NC(=O)c1ccc(CN2C[C@H](O)C[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000070005504 463364330 /nfs/dbraw/zinc/36/43/30/463364330.db2.gz HSDDHTXPQRHETP-HZPDHXFCSA-N 0 3 347.415 2.209 10 5 EEBEHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295105811 464707901 /nfs/dbraw/zinc/70/79/01/464707901.db2.gz XTRDIDLBMLJBSA-GHMZBOCLSA-N 0 3 339.367 2.297 10 5 EEBEHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268234785 464985053 /nfs/dbraw/zinc/98/50/53/464985053.db2.gz SXLIVRZKYZIJOL-QFYYESIMSA-N 0 3 328.372 2.289 10 5 EEBEHN C[C@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000331111932 465938698 /nfs/dbraw/zinc/93/86/98/465938698.db2.gz ISUMFUKIWAMERR-UWVGGRQHSA-N 0 3 327.331 2.014 10 5 EEBEHN CCN1CCN([C@@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000301612870 465996991 /nfs/dbraw/zinc/99/69/91/465996991.db2.gz GKNXRQYSKFVBAJ-LBPRGKRZSA-N 0 3 340.399 2.180 10 5 EEBEHN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000594040164 468469718 /nfs/dbraw/zinc/46/97/18/468469718.db2.gz DWHRHFNREPSOIE-NVXWUHKLSA-N 0 3 347.415 2.421 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000347350059 466585166 /nfs/dbraw/zinc/58/51/66/466585166.db2.gz QRLXFVNJVSOYHX-FUHWJXTLSA-N 0 3 343.383 2.470 10 5 EEBEHN N[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000418430962 467109288 /nfs/dbraw/zinc/10/92/88/467109288.db2.gz QBNPYSRMXADBEM-QGZVFWFLSA-N 0 3 340.383 2.363 10 5 EEBEHN O=C(CN[C@H]1CC2CCC1CC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000433055418 467287737 /nfs/dbraw/zinc/28/77/37/467287737.db2.gz XZQAGYRHAVLIPS-MCIGGMRASA-N 0 3 347.371 2.430 10 5 EEBEHN COc1cc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])cc1F ZINC000450593930 467876506 /nfs/dbraw/zinc/87/65/06/467876506.db2.gz JPXKXWWALIZEPS-LLVKDONJSA-N 0 3 327.356 2.001 10 5 EEBEHN CO[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000594950154 468728779 /nfs/dbraw/zinc/72/87/79/468728779.db2.gz JKPAQXJYHFYYMB-QMTHXVAHSA-N 0 3 346.330 2.337 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@]2(CC2(F)F)C1 ZINC000593119128 468877751 /nfs/dbraw/zinc/87/77/51/468877751.db2.gz UTEQTHDDBHSTKE-RISCZKNCSA-N 0 3 328.315 2.066 10 5 EEBEHN CC(C)[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1 ZINC000598571178 468918317 /nfs/dbraw/zinc/91/83/17/468918317.db2.gz HMDNNRXKLPVCJA-LLVKDONJSA-N 0 3 343.330 2.266 10 5 EEBEHN C[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000601774771 469018417 /nfs/dbraw/zinc/01/84/17/469018417.db2.gz DMXYSKFNWPDFNK-RDTXWAMCSA-N 0 3 349.431 2.183 10 5 EEBEHN CC[C@@H](CN1CCCC1)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000587979779 469097383 /nfs/dbraw/zinc/09/73/83/469097383.db2.gz LFFFXASOJPDGSQ-LBPRGKRZSA-N 0 3 336.392 2.371 10 5 EEBEHN [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000593739079 469118205 /nfs/dbraw/zinc/11/82/05/469118205.db2.gz VIMNNQQLCOXJBA-MRRJBJDNSA-N 0 3 335.404 2.019 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552619 469291330 /nfs/dbraw/zinc/29/13/30/469291330.db2.gz GFHVDYJRRUZJST-MJBXVCDLSA-N 0 3 338.429 2.304 10 5 EEBEHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000531634894 485539184 /nfs/dbraw/zinc/53/91/84/485539184.db2.gz JLSLWCNXDDPZNB-OAHLLOKOSA-N 0 3 342.399 2.280 10 5 EEBEHN C[C@@H](NC[C@@H]1CCCCN1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075097 1198040177 /nfs/dbraw/zinc/04/01/77/1198040177.db2.gz OAJNPYCPCGGOJD-OLZOCXBDSA-N 0 3 325.384 2.231 10 5 EEBEHN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813108705 1201120484 /nfs/dbraw/zinc/12/04/84/1201120484.db2.gz KKHKZPMOPBDADW-RXMQYKEDSA-N 0 3 329.662 2.072 10 5 EEBEHN CC(COC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)[N+](=O)[O-] ZINC000813111285 1201123282 /nfs/dbraw/zinc/12/32/82/1201123282.db2.gz GANAAVORNZOJGP-LRVUVFPRSA-N 0 3 340.420 2.450 10 5 EEBEHN CO[C@H]1CN(C)[C@](C)(COC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000861351328 1295360629 /nfs/dbraw/zinc/36/06/29/1295360629.db2.gz IDQTVPFWZDYESC-PBHICJAKSA-N 0 3 336.388 2.098 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC001150119504 1316166070 /nfs/dbraw/zinc/16/60/70/1316166070.db2.gz DVVHMQQUXLMVET-WCQYABFASA-N 0 3 333.388 2.206 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(CC)CC1(C)C ZINC001156835623 1318235663 /nfs/dbraw/zinc/23/56/63/1318235663.db2.gz ABRBEFJCSUVOQE-AWEZNQCLSA-N 0 3 335.404 2.454 10 5 EEBEHN Cc1nc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001265942810 1323505908 /nfs/dbraw/zinc/50/59/08/1323505908.db2.gz UHVOSFRUKVVFII-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN Cc1[nH]nc(C(=O)Nc2ccc(Nc3ccncc3)cc2)c1[N+](=O)[O-] ZINC001583413582 1344898883 /nfs/dbraw/zinc/89/88/83/1344898883.db2.gz YQOAWYNRGQNYKQ-UHFFFAOYSA-N 0 3 338.327 2.439 10 5 EEBEHN Cn1nc2c(c1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000819325442 785508415 /nfs/dbraw/zinc/50/84/15/785508415.db2.gz COHCZEKGKDBXJY-QGZVFWFLSA-N 0 3 330.388 2.030 10 5 EEBEHN C[C@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000912382169 788134200 /nfs/dbraw/zinc/13/42/00/788134200.db2.gz IYZXVOOEHRPFGI-SFHVURJKSA-N 0 3 346.431 2.387 10 5 EEBEHN C[C@]1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CN2CCC1CC2 ZINC000912384279 788136028 /nfs/dbraw/zinc/13/60/28/788136028.db2.gz VBPUXRCLBDSZNO-KRWDZBQOSA-N 0 3 328.372 2.290 10 5 EEBEHN CCc1nc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])co1 ZINC001569196739 1125158479 /nfs/dbraw/zinc/15/84/79/1125158479.db2.gz AHJOINSEYIPJTL-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN CC(C)N[C@@H](COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440740 214057002 /nfs/dbraw/zinc/05/70/02/214057002.db2.gz SDWFIIWDLPDNOM-JTQLQIEISA-N 0 3 336.175 2.132 10 5 EEBEHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)CN1CCO ZINC000419008242 239397549 /nfs/dbraw/zinc/39/75/49/239397549.db2.gz VJODXKSTSVYDIZ-CHWSQXEVSA-N 0 3 330.388 2.034 10 5 EEBEHN Cc1[n-]nc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447724894 242309301 /nfs/dbraw/zinc/30/93/01/242309301.db2.gz ZBRZRVFBYQXJGP-GFCCVEGCSA-N 0 3 345.359 2.264 10 5 EEBEHN CCN1CCN([C@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245924489 243171238 /nfs/dbraw/zinc/17/12/38/243171238.db2.gz NXGVHYGBCQCVSC-QAPCUYQASA-N 0 3 332.448 2.368 10 5 EEBEHN C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174104816 533137567 /nfs/dbraw/zinc/13/75/67/533137567.db2.gz GRDDVEOAGGPYDK-CJNGLKHVSA-N 0 3 330.388 2.312 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119050507 221232186 /nfs/dbraw/zinc/23/21/86/221232186.db2.gz KFGCKZSJYUQPCD-NSHDSACASA-N 0 3 342.193 2.181 10 5 EEBEHN Cn1cc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000173313176 152158942 /nfs/dbraw/zinc/15/89/42/152158942.db2.gz RAGMKLYQAPNZHK-MRXNPFEDSA-N 0 3 343.387 2.494 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000110086002 159356868 /nfs/dbraw/zinc/35/68/68/159356868.db2.gz KEYRSFCUBXHKGW-CYBMUJFWSA-N 0 3 336.392 2.136 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000119310718 159376565 /nfs/dbraw/zinc/37/65/65/159376565.db2.gz VFDRWSLZKRNIRW-IINYFYTJSA-N 0 3 349.416 2.192 10 5 EEBEHN COc1cccc(CCNCc2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000344982018 161261419 /nfs/dbraw/zinc/26/14/19/161261419.db2.gz YSZXFDRYUZYNOC-UHFFFAOYSA-N 0 3 347.371 2.348 10 5 EEBEHN CC(C)[C@@](C)(CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352905311 162338985 /nfs/dbraw/zinc/33/89/85/162338985.db2.gz BHUPCRNRGFTQHQ-CQSZACIVSA-N 0 3 329.784 2.183 10 5 EEBEHN O=C(NCCN1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359048956 164045767 /nfs/dbraw/zinc/04/57/67/164045767.db2.gz BITAYUGQQBIMBL-UHFFFAOYSA-N 0 3 329.303 2.022 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1C ZINC000123163288 222227549 /nfs/dbraw/zinc/22/75/49/222227549.db2.gz SPZZYOWRJROEQC-ZYHUDNBSSA-N 0 3 336.348 2.058 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1C ZINC000123362345 222264065 /nfs/dbraw/zinc/26/40/65/222264065.db2.gz BUCSMBBKBNYHIZ-STQMWFEESA-N 0 3 334.420 2.216 10 5 EEBEHN CC[C@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])N1CCCC1 ZINC000286128961 274839910 /nfs/dbraw/zinc/83/99/10/274839910.db2.gz MUTAGPYCDHOOMI-GFCCVEGCSA-N 0 3 336.392 2.371 10 5 EEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000246619050 281198298 /nfs/dbraw/zinc/19/82/98/281198298.db2.gz SQCAYJUGXOQSLR-STQMWFEESA-N 0 3 333.388 2.302 10 5 EEBEHN CN(C)CCn1nccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294009676 293349174 /nfs/dbraw/zinc/34/91/74/293349174.db2.gz IOICIZLUYQLTEL-UHFFFAOYSA-N 0 3 342.359 2.087 10 5 EEBEHN O=C1COc2cc([N+](=O)[O-])c(NCCN3CCCCCC3)cc2N1 ZINC000301109757 294823295 /nfs/dbraw/zinc/82/32/95/294823295.db2.gz VQMQADIZMWZTHU-UHFFFAOYSA-N 0 3 334.376 2.214 10 5 EEBEHN O=[N+]([O-])c1ccc(NCC2(O)CCN(Cc3ccccc3)CC2)nc1 ZINC000397713208 312447060 /nfs/dbraw/zinc/44/70/60/312447060.db2.gz ZVBAKIBEETZILE-UHFFFAOYSA-N 0 3 342.399 2.429 10 5 EEBEHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](N)c1ccccc1 ZINC000418437578 313813509 /nfs/dbraw/zinc/81/35/09/313813509.db2.gz YLEUIUVUAURGPE-KRWDZBQOSA-N 0 3 342.399 2.479 10 5 EEBEHN COc1ccc(OCCN(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000441380301 315183529 /nfs/dbraw/zinc/18/35/29/315183529.db2.gz FREJESIIDPDOSP-AWEZNQCLSA-N 0 3 335.404 2.151 10 5 EEBEHN CCOc1cc(N2CCN(C[C@H](C)COC)CC2)ccc1[N+](=O)[O-] ZINC000526992586 317137346 /nfs/dbraw/zinc/13/73/46/317137346.db2.gz DGJDRXCAIMAJOC-AWEZNQCLSA-N 0 3 337.420 2.398 10 5 EEBEHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531624248 317809099 /nfs/dbraw/zinc/80/90/99/317809099.db2.gz BGYZGCZPCNEBIQ-UHFFFAOYSA-N 0 3 330.344 2.312 10 5 EEBEHN NC(=O)[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000567426172 319378266 /nfs/dbraw/zinc/37/82/66/319378266.db2.gz JFXDRXXODLLXFC-QGZVFWFLSA-N 0 3 338.367 2.435 10 5 EEBEHN Cn1cc([C@H](NCCc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000590599177 468283390 /nfs/dbraw/zinc/28/33/90/468283390.db2.gz FADFCPQDMQBRRA-KRWDZBQOSA-N 0 3 344.415 2.364 10 5 EEBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131414288 462809086 /nfs/dbraw/zinc/80/90/86/462809086.db2.gz AXIGEHUKZAZTMD-SUMWQHHRSA-N 0 3 346.431 2.070 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069529150 463269251 /nfs/dbraw/zinc/26/92/51/463269251.db2.gz MZVLKCNDQJBSJJ-GFCCVEGCSA-N 0 3 341.795 2.089 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCN(CC(F)(F)F)C1)OCO2 ZINC000071792576 463426014 /nfs/dbraw/zinc/42/60/14/463426014.db2.gz IDCQWMZYABMKHN-JTQLQIEISA-N 0 3 347.293 2.050 10 5 EEBEHN CC(C)N(CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000151398152 463524458 /nfs/dbraw/zinc/52/44/58/463524458.db2.gz JVLDNDANORQTDN-UHFFFAOYSA-N 0 3 343.449 2.133 10 5 EEBEHN COc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000262169706 463964091 /nfs/dbraw/zinc/96/40/91/463964091.db2.gz HQGXUOMWMVEWDA-HYSWKAIVSA-N 0 3 349.387 2.074 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000590971147 468388188 /nfs/dbraw/zinc/38/81/88/468388188.db2.gz OXHONFXEMQQMJL-LSDHHAIUSA-N 0 3 334.372 2.429 10 5 EEBEHN CCNC(=O)C[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000284977436 464413927 /nfs/dbraw/zinc/41/39/27/464413927.db2.gz XWERRNBWBGCBJU-HOCLYGCPSA-N 0 3 335.404 2.009 10 5 EEBEHN CCOC(=O)c1ccnc(N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246163233 464552718 /nfs/dbraw/zinc/55/27/18/464552718.db2.gz IEWBZBMXSRQKLG-RYUDHWBXSA-N 0 3 336.392 2.085 10 5 EEBEHN Cc1cc(C)cc([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000248441041 464751543 /nfs/dbraw/zinc/75/15/43/464751543.db2.gz DLOHQXLUIZFUEJ-MAUKXSAKSA-N 0 3 344.415 2.259 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN(c2cccnn2)C1 ZINC000183471462 464869151 /nfs/dbraw/zinc/86/91/51/464869151.db2.gz BXJBGVUMPGDEFO-HNNXBMFYSA-N 0 3 327.388 2.452 10 5 EEBEHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H](O)CN1CCCCC1 ZINC000276560063 464979652 /nfs/dbraw/zinc/97/96/52/464979652.db2.gz GGXXLUBOCJHONW-AWEZNQCLSA-N 0 3 330.388 2.402 10 5 EEBEHN Cc1c(NC(=O)CCN2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000299352748 465711649 /nfs/dbraw/zinc/71/16/49/465711649.db2.gz SDAWXLMBJUWPEO-UHFFFAOYSA-N 0 3 332.404 2.012 10 5 EEBEHN COC[C@@H](CC1CCOCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118538 468449355 /nfs/dbraw/zinc/44/93/55/468449355.db2.gz XUIIKNPCHWLJEG-CYBMUJFWSA-N 0 3 348.403 2.392 10 5 EEBEHN COc1ccc(OCCN2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362449175 465748242 /nfs/dbraw/zinc/74/82/42/465748242.db2.gz HDZPLZDMBAGZDZ-HIFRSBDPSA-N 0 3 336.388 2.483 10 5 EEBEHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362563931 465833612 /nfs/dbraw/zinc/83/36/12/465833612.db2.gz FLRJUNHKBWOIDD-GXFFZTMASA-N 0 3 347.400 2.113 10 5 EEBEHN O=[N+]([O-])c1ccc(CNCCC2CCS(=O)(=O)CC2)c(F)c1 ZINC000350285673 466448812 /nfs/dbraw/zinc/44/88/12/466448812.db2.gz GXTHBYLPGWUBHM-UHFFFAOYSA-N 0 3 330.381 2.038 10 5 EEBEHN CC[C@@H](CO)N1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347351312 466585590 /nfs/dbraw/zinc/58/55/90/466585590.db2.gz DSLYDYBOXCCGOZ-JMPLCFMRSA-N 0 3 333.432 2.387 10 5 EEBEHN COc1cc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])cc1F ZINC000450593932 467876381 /nfs/dbraw/zinc/87/63/81/467876381.db2.gz JPXKXWWALIZEPS-NSHDSACASA-N 0 3 327.356 2.001 10 5 EEBEHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000487547219 468043986 /nfs/dbraw/zinc/04/39/86/468043986.db2.gz FQOFMGPGYTTZMY-FZMZJTMJSA-N 0 3 326.418 2.393 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600468692 468565926 /nfs/dbraw/zinc/56/59/26/468565926.db2.gz GLTNCHBCJLEHFH-CQSZACIVSA-N 0 3 333.388 2.350 10 5 EEBEHN NC[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000594523764 468614523 /nfs/dbraw/zinc/61/45/23/468614523.db2.gz CUJFWTUUBINLOX-GFCCVEGCSA-N 0 3 346.309 2.158 10 5 EEBEHN CC(C)Cc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600742166 468644811 /nfs/dbraw/zinc/64/48/11/468644811.db2.gz BABRDWAXWXNEQQ-KRWDZBQOSA-N 0 3 332.404 2.141 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592166861 468644958 /nfs/dbraw/zinc/64/49/58/468644958.db2.gz JZVNQFNNMKOEMK-ZWKOTPCHSA-N 0 3 344.415 2.249 10 5 EEBEHN COc1ccc(-c2ccc(CNC[C@@H]3CCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000594988801 468738928 /nfs/dbraw/zinc/73/89/28/468738928.db2.gz RVFAJJZCCFTOAJ-NSHDSACASA-N 0 3 345.355 2.232 10 5 EEBEHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000598892472 469041301 /nfs/dbraw/zinc/04/13/01/469041301.db2.gz GHPJWVSCPXDVOP-AWEZNQCLSA-N 0 3 347.415 2.310 10 5 EEBEHN COc1cc(CN2CCCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611515166 469269197 /nfs/dbraw/zinc/26/91/97/469269197.db2.gz APUATQTYUXNSLV-INIZCTEOSA-N 0 3 349.431 2.290 10 5 EEBEHN CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000596417739 485611680 /nfs/dbraw/zinc/61/16/80/485611680.db2.gz JUJPDJKMNHJYKP-OAHLLOKOSA-N 0 3 334.420 2.263 10 5 EEBEHN O=[N+]([O-])c1cc(Br)ccc1CNC1CCS(=O)CC1 ZINC000162228217 679473359 /nfs/dbraw/zinc/47/33/59/679473359.db2.gz YBOMKOKPJGXEJW-UHFFFAOYSA-N 0 3 347.234 2.358 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000928441856 683165204 /nfs/dbraw/zinc/16/52/04/683165204.db2.gz PNTVBGYAAARGGO-UFBFGSQYSA-N 0 3 331.294 2.436 10 5 EEBEHN CCCOc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107662 1201119044 /nfs/dbraw/zinc/11/90/44/1201119044.db2.gz PYQDYPHSANVYLV-GFCCVEGCSA-N 0 3 333.344 2.483 10 5 EEBEHN CC(COC(=O)C1CCC(NC(=O)CC2CCCC2)CC1)[N+](=O)[O-] ZINC000813111284 1201123114 /nfs/dbraw/zinc/12/31/14/1201123114.db2.gz GANAAVORNZOJGP-GRTSSRMGSA-N 0 3 340.420 2.450 10 5 EEBEHN CO[C@H]1CN(C)[C@@](C)(COC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000861351329 1295359121 /nfs/dbraw/zinc/35/91/21/1295359121.db2.gz IDQTVPFWZDYESC-RHSMWYFYSA-N 0 3 336.388 2.098 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(=O)[nH]1 ZINC001620611838 1352360826 /nfs/dbraw/zinc/36/08/26/1352360826.db2.gz IQNVJWCAILKSOM-UHFFFAOYSA-N 0 3 344.371 2.464 10 5 EEBEHN C[C@@H]1CC[C@@](CO)(NCCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001656510947 1354243627 /nfs/dbraw/zinc/24/36/27/1354243627.db2.gz KMIQJHCEZCVRBM-DYVFJYSZSA-N 0 3 330.388 2.166 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccns1 ZINC001668441831 1355941729 /nfs/dbraw/zinc/94/17/29/1355941729.db2.gz QIWWVGXDGYDVSJ-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN CCCC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001673709384 1356737588 /nfs/dbraw/zinc/73/75/88/1356737588.db2.gz MXQQWJQKZDIXNR-UHFFFAOYSA-N 0 3 335.404 2.150 10 5 EEBEHN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793608073 810431138 /nfs/dbraw/zinc/43/11/38/810431138.db2.gz HPBNMLIFDBHCHU-BXUZGUMPSA-N 0 3 330.812 2.496 10 5 EEBEHN Cc1cc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)on1 ZINC001498512783 1107657582 /nfs/dbraw/zinc/65/75/82/1107657582.db2.gz WOYHIBVFDGUTCE-UHFFFAOYSA-N 0 3 338.389 2.205 10 5 EEBEHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC(N[C@H]2CCOC2)C1 ZINC001458669300 1109928752 /nfs/dbraw/zinc/92/87/52/1109928752.db2.gz POGLJWCQZAMXIS-JTQLQIEISA-N 0 3 331.294 2.181 10 5 EEBEHN CN(C)CCNC(=O)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000069653950 215516289 /nfs/dbraw/zinc/51/62/89/215516289.db2.gz SHFGWUJJXJWKQJ-UHFFFAOYSA-N 0 3 342.399 2.498 10 5 EEBEHN O=[N+]([O-])c1ccc2sc([S@](=O)C[C@H]3CCCCN3)nc2c1 ZINC000095092231 218280203 /nfs/dbraw/zinc/28/02/03/218280203.db2.gz MQAMDBRSOMYOLB-BTKVJGODSA-N 0 3 325.415 2.454 10 5 EEBEHN COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273378262 256291030 /nfs/dbraw/zinc/29/10/30/256291030.db2.gz BRKZFGOATNHTAC-HOCLYGCPSA-N 0 3 349.431 2.266 10 5 EEBEHN COC(=O)[C@@H](C)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000357657451 153271305 /nfs/dbraw/zinc/27/13/05/153271305.db2.gz ZHXSPNAMUUAQLZ-AWEZNQCLSA-N 0 3 346.387 2.103 10 5 EEBEHN CN1CCC(CNc2ncc([N+](=O)[O-])s2)(N2CCCCC2)CC1 ZINC000190331313 160157908 /nfs/dbraw/zinc/15/79/08/160157908.db2.gz WQCPABFXVRESGU-UHFFFAOYSA-N 0 3 339.465 2.414 10 5 EEBEHN COC(=O)c1cnc(N2CCN(C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292149791 275384802 /nfs/dbraw/zinc/38/48/02/275384802.db2.gz CELXNXKYLOGANP-GFCCVEGCSA-N 0 3 348.403 2.087 10 5 EEBEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000247313193 277155592 /nfs/dbraw/zinc/15/55/92/277155592.db2.gz RIIXWSNJKULJPJ-XHDPSFHLSA-N 0 3 348.359 2.059 10 5 EEBEHN Cc1nc(N(C)[C@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297540951 294273730 /nfs/dbraw/zinc/27/37/30/294273730.db2.gz PYVHFFDMUCFVIF-HNNXBMFYSA-N 0 3 327.388 2.404 10 5 EEBEHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000181999292 323361342 /nfs/dbraw/zinc/36/13/42/323361342.db2.gz XITAMUUGUPFNRC-NSHDSACASA-N 0 3 335.335 2.255 10 5 EEBEHN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCN(C2CC2)C1 ZINC000347889107 465288824 /nfs/dbraw/zinc/28/88/24/465288824.db2.gz JJQQTYYCSDBJSV-ZDUSSCGKSA-N 0 3 328.372 2.385 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000047142988 462747717 /nfs/dbraw/zinc/74/77/17/462747717.db2.gz VBJXZWWUTJYTOP-AWEZNQCLSA-N 0 3 334.420 2.387 10 5 EEBEHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000105808233 463470257 /nfs/dbraw/zinc/47/02/57/463470257.db2.gz QOOOILKOEAHSNZ-MRXNPFEDSA-N 0 3 327.388 2.486 10 5 EEBEHN CC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000112080334 463689963 /nfs/dbraw/zinc/68/99/63/463689963.db2.gz NZDUYHFERLKHPI-ZIAGYGMSSA-N 0 3 344.415 2.424 10 5 EEBEHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000255369553 463721184 /nfs/dbraw/zinc/72/11/84/463721184.db2.gz OCIFGQXEWAUHRW-MTWCHYJXSA-N 0 3 331.416 2.261 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000170858966 463723195 /nfs/dbraw/zinc/72/31/95/463723195.db2.gz CTYYQMJAPRKYCC-HNNXBMFYSA-N 0 3 346.431 2.361 10 5 EEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269376253 463969257 /nfs/dbraw/zinc/96/92/57/463969257.db2.gz IETWISNGAGREDU-NSHDSACASA-N 0 3 325.413 2.147 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000176989922 464901058 /nfs/dbraw/zinc/90/10/58/464901058.db2.gz XGRBULVDTDGHPF-AWEZNQCLSA-N 0 3 335.404 2.306 10 5 EEBEHN Cc1ccnc(N2CC[C@@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301752664 466025594 /nfs/dbraw/zinc/02/55/94/466025594.db2.gz VRKGOUDYOUSIKN-OAHLLOKOSA-N 0 3 334.420 2.379 10 5 EEBEHN CCOC(=O)c1cccc(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000600128970 468468667 /nfs/dbraw/zinc/46/86/67/468468667.db2.gz DFOVYFACXGVLBL-UHFFFAOYSA-N 0 3 329.356 2.499 10 5 EEBEHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000353978791 466296529 /nfs/dbraw/zinc/29/65/29/466296529.db2.gz NSAFJBVUXWWDLF-QWHCGFSZSA-N 0 3 340.445 2.471 10 5 EEBEHN CC[C@H](C)N(C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416382363 466731147 /nfs/dbraw/zinc/73/11/47/466731147.db2.gz DUKOIGLGUYSPEC-ZDUSSCGKSA-N 0 3 343.449 2.220 10 5 EEBEHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000366119828 467064586 /nfs/dbraw/zinc/06/45/86/467064586.db2.gz PQPVQTFGEXKRBS-DZGCQCFKSA-N 0 3 340.383 2.383 10 5 EEBEHN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(OCCN(C)C)c1 ZINC000531888492 468082900 /nfs/dbraw/zinc/08/29/00/468082900.db2.gz BZILMYSENZGIBS-UHFFFAOYSA-N 0 3 344.371 2.491 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000600474097 468568803 /nfs/dbraw/zinc/56/88/03/468568803.db2.gz WYXSWPIIOMBWCN-CYBMUJFWSA-N 0 3 333.388 2.350 10 5 EEBEHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000594990051 468739471 /nfs/dbraw/zinc/73/94/71/468739471.db2.gz MTGFXLYQOINPNH-IAGOWNOFSA-N 0 3 331.416 2.328 10 5 EEBEHN CC[C@@H]1CN(C)CCCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601188089 468775563 /nfs/dbraw/zinc/77/55/63/468775563.db2.gz BLNQCNLPFFBRQI-SECBINFHSA-N 0 3 335.330 2.268 10 5 EEBEHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCc2ccccc21 ZINC000595878324 469058575 /nfs/dbraw/zinc/05/85/75/469058575.db2.gz NDPSHZJUNYDQIA-OAHLLOKOSA-N 0 3 327.384 2.418 10 5 EEBEHN CN1CCOC[C@@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000599002764 469084275 /nfs/dbraw/zinc/08/42/75/469084275.db2.gz AQQDBQYHHVGKMY-HNNXBMFYSA-N 0 3 331.372 2.275 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cccc3c2CCNC3)cc1 ZINC000596071471 469140039 /nfs/dbraw/zinc/14/00/39/469140039.db2.gz NNMJGYCDXSCNLR-UHFFFAOYSA-N 0 3 332.381 2.214 10 5 EEBEHN CO[C@@H](CNc1cc(C)nc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000596319119 469242610 /nfs/dbraw/zinc/24/26/10/469242610.db2.gz UDQXLNHWYLBOPW-SJCJKPOMSA-N 0 3 331.372 2.337 10 5 EEBEHN CN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829350 469385349 /nfs/dbraw/zinc/38/53/49/469385349.db2.gz FZCOTUBCOKEZMB-LLVKDONJSA-N 0 3 329.360 2.359 10 5 EEBEHN COc1ccc(CC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610178059 469985821 /nfs/dbraw/zinc/98/58/21/469985821.db2.gz MXVSVKNZCSINID-JSGCOSHPSA-N 0 3 335.404 2.087 10 5 EEBEHN COCCN1CCC[C@H](NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752059412 577765376 /nfs/dbraw/zinc/76/53/76/577765376.db2.gz ZBJOJBJNCQSGQZ-GRNBYLDVSA-N 0 3 347.415 2.225 10 5 EEBEHN CCN(CCNC(=O)C1(N(C)C)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480979031 1179414221 /nfs/dbraw/zinc/41/42/21/1179414221.db2.gz TVDWRSOJUXKEFD-UHFFFAOYSA-N 0 3 348.447 2.017 10 5 EEBEHN COCCC(=O)NCCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001270089052 1184837456 /nfs/dbraw/zinc/83/74/56/1184837456.db2.gz WVMZCADLIMBGRT-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccnn1CC ZINC001482919313 1187835470 /nfs/dbraw/zinc/83/54/70/1187835470.db2.gz KPEOQUASUUIMRN-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000928456066 1206387355 /nfs/dbraw/zinc/38/73/55/1206387355.db2.gz LIUOKNYHJJUMSG-GXTWGEPZSA-N 0 3 332.404 2.017 10 5 EEBEHN CC(C)(C)[C@H](C[NH3+])[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766927 1293911264 /nfs/dbraw/zinc/91/12/64/1293911264.db2.gz YNDFXTVCZJSWHI-NSHDSACASA-N 0 3 331.319 2.056 10 5 EEBEHN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001118914538 1308958669 /nfs/dbraw/zinc/95/86/69/1308958669.db2.gz AMUJOQYBJYEWKP-HOTGVXAUSA-N 0 3 347.415 2.011 10 5 EEBEHN CN(CCCNC(=O)Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001265942500 1323505981 /nfs/dbraw/zinc/50/59/81/1323505981.db2.gz ICKNUMTVEYTLKR-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN CN(CCCNC(=O)Cc1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316867056 1331791808 /nfs/dbraw/zinc/79/18/08/1331791808.db2.gz VZHGAUKPKNUDSJ-UHFFFAOYSA-N 0 3 330.388 2.104 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCC(F)(F)F ZINC001317578138 1332306068 /nfs/dbraw/zinc/30/60/68/1332306068.db2.gz HDAMEKQSNKSCSD-UHFFFAOYSA-N 0 3 333.310 2.485 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC001351798688 1337850822 /nfs/dbraw/zinc/85/08/22/1337850822.db2.gz CJQDNQLXSNWWLU-QWRGUYRKSA-N 0 3 347.462 2.116 10 5 EEBEHN C[C@H]1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001618607810 1352351823 /nfs/dbraw/zinc/35/18/23/1352351823.db2.gz CYTXFVUBKJQOGP-QMMMGPOBSA-N 0 3 344.774 2.041 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)N(C)C)n1 ZINC001624306774 1352418508 /nfs/dbraw/zinc/41/85/08/1352418508.db2.gz LOKIJUVNUBEUSS-MRXNPFEDSA-N 0 3 328.372 2.331 10 5 EEBEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001625521964 1352450701 /nfs/dbraw/zinc/45/07/01/1352450701.db2.gz FRDSOPVYDZJOSB-CYBMUJFWSA-N 0 3 342.399 2.427 10 5 EEBEHN COC(=O)/C=C\c1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000920337721 770678974 /nfs/dbraw/zinc/67/89/74/770678974.db2.gz XVZBPLHCUCLPRI-QTEJZOKPSA-N 0 3 331.372 2.430 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC001135924603 784805203 /nfs/dbraw/zinc/80/52/03/784805203.db2.gz RXIYZTFKWXEZGK-MRXNPFEDSA-N 0 3 342.399 2.201 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCCCN2CCO)c1 ZINC000824583105 788246375 /nfs/dbraw/zinc/24/63/75/788246375.db2.gz HZNGULXJQWOCKS-CQSZACIVSA-N 0 3 327.812 2.185 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@H](O)CN2CCCCC2)cc1OC(F)F ZINC000174685809 231279769 /nfs/dbraw/zinc/27/97/69/231279769.db2.gz UFHKUCJEKPZMLZ-LBPRGKRZSA-N 0 3 345.346 2.455 10 5 EEBEHN C[C@H]1CNC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000069133133 215362359 /nfs/dbraw/zinc/36/23/59/215362359.db2.gz ZUWXOEOZTRAFPB-IUCAKERBSA-N 0 3 342.193 2.180 10 5 EEBEHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000418990516 239392128 /nfs/dbraw/zinc/39/21/28/239392128.db2.gz CUKMQNJYVPNKEU-QWHCGFSZSA-N 0 3 330.388 2.034 10 5 EEBEHN COC(=O)c1cnc(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c([N+](=O)[O-])c1 ZINC000276765795 256465904 /nfs/dbraw/zinc/46/59/04/256465904.db2.gz MRTHMXQBPBDQTP-KGLIPLIRSA-N 0 3 348.403 2.228 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342459030 161066924 /nfs/dbraw/zinc/06/69/24/161066924.db2.gz BWQAXYYTJQQBSN-FZMZJTMJSA-N 0 3 333.388 2.206 10 5 EEBEHN CO[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1C ZINC000342740206 161086996 /nfs/dbraw/zinc/08/69/96/161086996.db2.gz RATONQXXTRGACD-BLLLJJGKSA-N 0 3 349.387 2.250 10 5 EEBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCN(CC4CCOCC4)CC3)nc2c1 ZINC000278396332 274351147 /nfs/dbraw/zinc/35/11/47/274351147.db2.gz GGTWCIKOGNVAQU-UHFFFAOYSA-N 0 3 345.403 2.020 10 5 EEBEHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H](O)CN1CCCCC1 ZINC000291598925 275321512 /nfs/dbraw/zinc/32/15/12/275321512.db2.gz IHYHADYPSJXNBZ-ZDUSSCGKSA-N 0 3 330.388 2.402 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000171043862 302705125 /nfs/dbraw/zinc/70/51/25/302705125.db2.gz WNEGXPDWQNNGBR-CQSZACIVSA-N 0 3 332.404 2.389 10 5 EEBEHN Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000416506061 313241147 /nfs/dbraw/zinc/24/11/47/313241147.db2.gz DONCQCDHBZYUAI-UHFFFAOYSA-N 0 3 349.840 2.175 10 5 EEBEHN CCN1CC[C@H]2OCCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000574935455 320072631 /nfs/dbraw/zinc/07/26/31/320072631.db2.gz GYHWEEJJPIQWLA-RRQGHBQHSA-N 0 3 347.415 2.020 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000296028150 465056425 /nfs/dbraw/zinc/05/64/25/465056425.db2.gz ZNZRUGNRWBYLJY-ZFWWWQNUSA-N 0 3 347.415 2.499 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063645582 462659883 /nfs/dbraw/zinc/65/98/83/462659883.db2.gz VGJAYTABLJAWGK-LBPRGKRZSA-N 0 3 339.367 2.103 10 5 EEBEHN O=C(NC1CCN(C2CC2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129949656 462732917 /nfs/dbraw/zinc/73/29/17/462732917.db2.gz KDIGNAMJQXBLLV-UHFFFAOYSA-N 0 3 328.372 2.433 10 5 EEBEHN Cc1cccc(CN2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)c1 ZINC000170633464 463686448 /nfs/dbraw/zinc/68/64/48/463686448.db2.gz AJEPFLSFSJXPSF-UHFFFAOYSA-N 0 3 342.403 2.352 10 5 EEBEHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000255369552 463720917 /nfs/dbraw/zinc/72/09/17/463720917.db2.gz OCIFGQXEWAUHRW-CLUARGJDSA-N 0 3 331.416 2.261 10 5 EEBEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177714242 463773487 /nfs/dbraw/zinc/77/34/87/463773487.db2.gz KOYSAFBCYYQKTM-BBRMVZONSA-N 0 3 334.420 2.338 10 5 EEBEHN O=C(CCN1CCc2cc[nH]c(=O)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000277019340 463845774 /nfs/dbraw/zinc/84/57/74/463845774.db2.gz ZNBGFZRNEJUTLM-UHFFFAOYSA-N 0 3 342.355 2.082 10 5 EEBEHN CC(C)NC(=O)c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000171939000 463953109 /nfs/dbraw/zinc/95/31/09/463953109.db2.gz SVIJCKMGUFMZAY-CQSZACIVSA-N 0 3 332.404 2.017 10 5 EEBEHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@@H]2C1 ZINC000172497232 464093174 /nfs/dbraw/zinc/09/31/74/464093174.db2.gz VRLHXAUAPFWNNP-QGZVFWFLSA-N 0 3 346.431 2.407 10 5 EEBEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000247313186 464667673 /nfs/dbraw/zinc/66/76/73/464667673.db2.gz RIIXWSNJKULJPJ-NHYWBVRUSA-N 0 3 348.359 2.059 10 5 EEBEHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(C)OCCCO1 ZINC000190660604 464697436 /nfs/dbraw/zinc/69/74/36/464697436.db2.gz FTVWAYXAIFZIGP-GFCCVEGCSA-N 0 3 337.376 2.055 10 5 EEBEHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183160573 464811917 /nfs/dbraw/zinc/81/19/17/464811917.db2.gz TVQMMDIKEDLWDD-ZIBATOQPSA-N 0 3 337.376 2.088 10 5 EEBEHN Cc1c(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cccc1[N+](=O)[O-] ZINC000359554551 465452140 /nfs/dbraw/zinc/45/21/40/465452140.db2.gz WXDGTVCEWIDEJG-OAHLLOKOSA-N 0 3 330.388 2.059 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(N3CCCOCC3)CC2)c1 ZINC000600007038 468435148 /nfs/dbraw/zinc/43/51/48/468435148.db2.gz MEXYFSFBKPIBIA-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN C[C@@H](C(=O)N(C)[C@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000349157515 466000743 /nfs/dbraw/zinc/00/07/43/466000743.db2.gz YTOSZGRLBCZPME-BZNIZROVSA-N 0 3 335.379 2.390 10 5 EEBEHN CNC(=O)C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000361644193 466171635 /nfs/dbraw/zinc/17/16/35/466171635.db2.gz PDIQXHDDAZXTBL-QGZVFWFLSA-N 0 3 343.383 2.441 10 5 EEBEHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C ZINC000357850564 466263745 /nfs/dbraw/zinc/26/37/45/466263745.db2.gz AKWAXQYHZDPSHY-BLLLJJGKSA-N 0 3 345.403 2.058 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC[C@H]1C ZINC000367660600 466476208 /nfs/dbraw/zinc/47/62/08/466476208.db2.gz IXHJCLMWXAQCPY-GFCCVEGCSA-N 0 3 337.376 2.043 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370996534 467067197 /nfs/dbraw/zinc/06/71/97/467067197.db2.gz DZNYPHDYZHPCQK-PBHICJAKSA-N 0 3 328.372 2.298 10 5 EEBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425544934 467108071 /nfs/dbraw/zinc/10/80/71/467108071.db2.gz JLEYHLMAMQEECY-LBPRGKRZSA-N 0 3 331.376 2.490 10 5 EEBEHN CNc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600471228 468567754 /nfs/dbraw/zinc/56/77/54/468567754.db2.gz KBVSAWHYFOOSDU-AWEZNQCLSA-N 0 3 332.404 2.383 10 5 EEBEHN CN(C)C(=O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131043 468633454 /nfs/dbraw/zinc/63/34/54/468633454.db2.gz RNMHZFNWJDEUBI-WKILWMFISA-N 0 3 349.431 2.179 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594964139 468732264 /nfs/dbraw/zinc/73/22/64/468732264.db2.gz OMXUATDAERHOBH-ZDUSSCGKSA-N 0 3 335.404 2.328 10 5 EEBEHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(CC)C1 ZINC000598042279 468746973 /nfs/dbraw/zinc/74/69/73/468746973.db2.gz XAFWEMXGUDLAJT-CQSZACIVSA-N 0 3 335.404 2.225 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000593030949 468845520 /nfs/dbraw/zinc/84/55/20/468845520.db2.gz TULDVQHLFDHUJV-BPLDGKMQSA-N 0 3 334.372 2.285 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H](CCF)C1 ZINC000595755016 468990183 /nfs/dbraw/zinc/99/01/83/468990183.db2.gz DZEBXTIFKOVLCB-KGLIPLIRSA-N 0 3 326.368 2.406 10 5 EEBEHN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1CCO ZINC000593482890 469001130 /nfs/dbraw/zinc/00/11/30/469001130.db2.gz UJKVQXDULDUPDL-BETUJISGSA-N 0 3 330.388 2.034 10 5 EEBEHN NCc1cccc2c1N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000599105244 469122104 /nfs/dbraw/zinc/12/21/04/469122104.db2.gz XLIDVYWAQNSWJE-UHFFFAOYSA-N 0 3 347.396 2.195 10 5 EEBEHN C[C@H](O)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066337 469137562 /nfs/dbraw/zinc/13/75/62/469137562.db2.gz CTRWEMOARWUJGJ-YEWWUXTCSA-N 0 3 346.383 2.046 10 5 EEBEHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000610135711 469983222 /nfs/dbraw/zinc/98/32/22/469983222.db2.gz IWISXNDDPHFQLT-WDEREUQCSA-N 0 3 347.462 2.150 10 5 EEBEHN COCCCN(C)CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752466905 577771368 /nfs/dbraw/zinc/77/13/68/577771368.db2.gz IRFINBWYGNLNPL-YPKPFQOOSA-N 0 3 335.404 2.083 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1nccs1 ZINC001268889184 1183793040 /nfs/dbraw/zinc/79/30/40/1183793040.db2.gz DZLWWNLRTNJFEU-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN O=C(CN[C@]12CCC[C@H]1OCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000872314162 1198142148 /nfs/dbraw/zinc/14/21/48/1198142148.db2.gz YZFWTZOZBGSEHW-HIFRSBDPSA-N 0 3 339.779 2.488 10 5 EEBEHN COC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000873545430 1198637430 /nfs/dbraw/zinc/63/74/30/1198637430.db2.gz USBWVMIOAXBFMJ-PUHVVEEASA-N 0 3 339.319 2.274 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000928450362 1206386430 /nfs/dbraw/zinc/38/64/30/1206386430.db2.gz IANPJWABISQSLE-WFASDCNBSA-N 0 3 332.404 2.017 10 5 EEBEHN Cc1ccc(C(=O)OC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC001123345028 1310531247 /nfs/dbraw/zinc/53/12/47/1310531247.db2.gz DTMFLZFBWXHGDE-OAHLLOKOSA-N 0 3 334.372 2.313 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001352562398 1337981592 /nfs/dbraw/zinc/98/15/92/1337981592.db2.gz BVQBHEUREPCOKH-DLBZAZTESA-N 0 3 347.415 2.011 10 5 EEBEHN O=c1[nH]ccc(N2CCN[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001652342133 1354088759 /nfs/dbraw/zinc/08/87/59/1354088759.db2.gz IANGCSIVJPRBKA-LBPRGKRZSA-N 0 3 334.763 2.500 10 5 EEBEHN CC(=O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000846947050 790766456 /nfs/dbraw/zinc/76/64/56/790766456.db2.gz PZTIHDJABKNQCI-UHFFFAOYSA-N 0 3 337.351 2.364 10 5 EEBEHN CC([C@H](OC(=O)c1cn(C)ccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC001526032678 1120404687 /nfs/dbraw/zinc/40/46/87/1120404687.db2.gz WEDKDHZZDSIFNY-BMIGLBTASA-N 0 3 334.303 2.088 10 5 EEBEHN COc1ccc(CN(C)C)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001540590969 1124087562 /nfs/dbraw/zinc/08/75/62/1124087562.db2.gz IEESKBSXVSPGBA-UHFFFAOYSA-N 0 3 346.343 2.018 10 5 EEBEHN COc1ccc(C[NH+](C)C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001540590969 1124087567 /nfs/dbraw/zinc/08/75/67/1124087567.db2.gz IEESKBSXVSPGBA-UHFFFAOYSA-N 0 3 346.343 2.018 10 5 EEBEHN O=C(CC(F)(F)F)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001568824278 1124843042 /nfs/dbraw/zinc/84/30/42/1124843042.db2.gz XZVVRJKXQCKRTK-UPHRSURJSA-N 0 3 331.294 2.309 10 5 EEBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425348936 241134417 /nfs/dbraw/zinc/13/44/17/241134417.db2.gz CWBBIWUMMLSVFV-VIFPVBQESA-N 0 3 339.302 2.304 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000246306935 160273225 /nfs/dbraw/zinc/27/32/25/160273225.db2.gz QIJBHLGBRZQLNE-WMLDXEAASA-N 0 3 342.399 2.457 10 5 EEBEHN O=C(CCN1CCN2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000248372205 160342452 /nfs/dbraw/zinc/34/24/52/160342452.db2.gz ZQEMSRCMMZZATB-INIZCTEOSA-N 0 3 332.404 2.094 10 5 EEBEHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355269409 163129704 /nfs/dbraw/zinc/12/97/04/163129704.db2.gz CILWWWAWAIATMS-HNNXBMFYSA-N 0 3 342.399 2.280 10 5 EEBEHN CN(CCN1CCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358973151 164026670 /nfs/dbraw/zinc/02/66/70/164026670.db2.gz HOMCNOLBHADNGY-UHFFFAOYSA-N 0 3 343.330 2.364 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOCC2(CC2)C1 ZINC000360090717 164229805 /nfs/dbraw/zinc/22/98/05/164229805.db2.gz YOKZFIRYHTVULK-UHFFFAOYSA-N 0 3 349.387 2.044 10 5 EEBEHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000364416421 165129808 /nfs/dbraw/zinc/12/98/08/165129808.db2.gz NKMCSXVZFXHTHB-UHFFFAOYSA-N 0 3 327.388 2.486 10 5 EEBEHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCNCC1 ZINC000036813370 275041645 /nfs/dbraw/zinc/04/16/45/275041645.db2.gz NJABTWHKESJNKE-UHFFFAOYSA-N 0 3 337.177 2.315 10 5 EEBEHN COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CCN(C)CC1 ZINC000291287360 275290305 /nfs/dbraw/zinc/29/03/05/275290305.db2.gz SIWMIDWGRCFTCP-UHFFFAOYSA-N 0 3 349.431 2.476 10 5 EEBEHN O=[N+]([O-])c1cnc(N2CC[C@H](OCCN3CCCCC3)C2)c(F)c1 ZINC000520994324 316888037 /nfs/dbraw/zinc/88/80/37/316888037.db2.gz PLGFHRAUOKLHJI-AWEZNQCLSA-N 0 3 338.383 2.210 10 5 EEBEHN COCCN1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710718 449390280 /nfs/dbraw/zinc/39/02/80/449390280.db2.gz NLQSEKINNPFYSF-ZDUSSCGKSA-N 0 3 331.376 2.061 10 5 EEBEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000113267970 462583647 /nfs/dbraw/zinc/58/36/47/462583647.db2.gz WVZMDKRMINSVQK-IUODEOHRSA-N 0 3 343.387 2.313 10 5 EEBEHN CN1CCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000065568617 462799458 /nfs/dbraw/zinc/79/94/58/462799458.db2.gz AXHQAUIVERWFMR-CQSZACIVSA-N 0 3 336.411 2.198 10 5 EEBEHN COc1cc(CN[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000077423129 462983522 /nfs/dbraw/zinc/98/35/22/462983522.db2.gz GPZYNPJHMYUCEW-DTWKUNHWSA-N 0 3 334.319 2.311 10 5 EEBEHN CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1CCOC ZINC000105836978 463476310 /nfs/dbraw/zinc/47/63/10/463476310.db2.gz LYENHZZZNAPDCG-HNNXBMFYSA-N 0 3 337.420 2.016 10 5 EEBEHN CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000105837206 463476446 /nfs/dbraw/zinc/47/64/46/463476446.db2.gz IVLNGJRZIXXZDL-OAHLLOKOSA-N 0 3 337.420 2.016 10 5 EEBEHN COCCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105834091 463476931 /nfs/dbraw/zinc/47/69/31/463476931.db2.gz MYUQPJYRRJIRPY-OAHLLOKOSA-N 0 3 337.420 2.016 10 5 EEBEHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN2CCC[C@@H]2C1 ZINC000179753066 464180805 /nfs/dbraw/zinc/18/08/05/464180805.db2.gz ILVVKQGAYLFZHQ-GFCCVEGCSA-N 0 3 326.356 2.063 10 5 EEBEHN CCN(CC)[C@H](C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294949342 464658967 /nfs/dbraw/zinc/65/89/67/464658967.db2.gz NTUCRBUCCDIIMU-CYBMUJFWSA-N 0 3 335.404 2.404 10 5 EEBEHN CCOc1ccc(NC(=O)CN[C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295193059 464740069 /nfs/dbraw/zinc/74/00/69/464740069.db2.gz JQLPWEOCQFIDSF-AWEZNQCLSA-N 0 3 337.376 2.089 10 5 EEBEHN C[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000177146404 464943695 /nfs/dbraw/zinc/94/36/95/464943695.db2.gz HYVDMAKQAZQCRZ-QWRGUYRKSA-N 0 3 328.372 2.431 10 5 EEBEHN COCCN1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276548822 464975424 /nfs/dbraw/zinc/97/54/24/464975424.db2.gz FAPUIKRSKOBQPY-UHFFFAOYSA-N 0 3 330.388 2.302 10 5 EEBEHN COc1ccc(NC(=O)CCN[C@@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000358795432 465327221 /nfs/dbraw/zinc/32/72/21/465327221.db2.gz YSSBWEVLVJEESN-JTQLQIEISA-N 0 3 333.348 2.006 10 5 EEBEHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331104024 465935474 /nfs/dbraw/zinc/93/54/74/465935474.db2.gz FJFKLPIZQJWYKR-LLVKDONJSA-N 0 3 341.358 2.216 10 5 EEBEHN Nc1c(C(=O)NC[C@@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600227763 468500722 /nfs/dbraw/zinc/50/07/22/468500722.db2.gz FYXKEHCMFBESFZ-ZDUSSCGKSA-N 0 3 332.404 2.314 10 5 EEBEHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCCC1 ZINC000600229912 468501745 /nfs/dbraw/zinc/50/17/45/468501745.db2.gz XIKOHYYCRDIWLR-OAHLLOKOSA-N 0 3 347.415 2.497 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000450345939 467831627 /nfs/dbraw/zinc/83/16/27/467831627.db2.gz GPLJVSNDLOCBRO-NVXWUHKLSA-N 0 3 342.399 2.285 10 5 EEBEHN COc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474524 468568713 /nfs/dbraw/zinc/56/87/13/468568713.db2.gz XVGFRLJGVGRHHQ-CQSZACIVSA-N 0 3 333.388 2.350 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000593030099 468845627 /nfs/dbraw/zinc/84/56/27/468845627.db2.gz KIXNVJCUVGGKJX-BMFZPTHFSA-N 0 3 346.383 2.429 10 5 EEBEHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598971830 469072783 /nfs/dbraw/zinc/07/27/83/469072783.db2.gz GKVAPYGYBWAEAN-RLCCDNCMSA-N 0 3 338.429 2.393 10 5 EEBEHN CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000596517538 469290348 /nfs/dbraw/zinc/29/03/48/469290348.db2.gz LVRKOTVHWFLHIK-MRXNPFEDSA-N 0 3 334.420 2.263 10 5 EEBEHN CCOc1ccc([C@H](C)NCCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000615761580 469310386 /nfs/dbraw/zinc/31/03/86/469310386.db2.gz JZRYXIHCSZTBFC-NSHDSACASA-N 0 3 342.417 2.079 10 5 EEBEHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721491 684699567 /nfs/dbraw/zinc/69/95/67/684699567.db2.gz BZFSAEKDVAPISI-OICCZTGUSA-N 0 3 332.400 2.471 10 5 EEBEHN Cc1nc(C)c(C(=O)NCC=CCNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001268593275 1183406360 /nfs/dbraw/zinc/40/63/60/1183406360.db2.gz TXUDLJVVICLZCB-ONEGZZNKSA-N 0 3 343.387 2.011 10 5 EEBEHN CCc1nc(C(=O)N(CC)CCNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001273341320 1198244651 /nfs/dbraw/zinc/24/46/51/1198244651.db2.gz MYNZLTADGMMNAE-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865899921 1198418282 /nfs/dbraw/zinc/41/82/82/1198418282.db2.gz CPTIZNBCPSBCQX-JTQLQIEISA-N 0 3 342.346 2.089 10 5 EEBEHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105511 1201094040 /nfs/dbraw/zinc/09/40/40/1201094040.db2.gz NPKYBTBLABGCJB-YUMQZZPRSA-N 0 3 337.298 2.374 10 5 EEBEHN COc1ccc(-c2noc(CCCC(=O)OCC(C)[N+](=O)[O-])n2)cc1 ZINC000813110427 1201121911 /nfs/dbraw/zinc/12/19/11/1201121911.db2.gz ALSNAYAXWLTZEM-LLVKDONJSA-N 0 3 349.343 2.276 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000928441708 1206384350 /nfs/dbraw/zinc/38/43/50/1206384350.db2.gz TUELDBIFFDYBLX-KCJUWKMLSA-N 0 3 329.303 2.019 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855166580 1293098289 /nfs/dbraw/zinc/09/82/89/1293098289.db2.gz MBYORWUNPAPGHK-LLVKDONJSA-N 0 3 339.367 2.102 10 5 EEBEHN Cc1[nH]ccc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001265822493 1323402356 /nfs/dbraw/zinc/40/23/56/1323402356.db2.gz UCCWFZRJKOXKRQ-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN CN1CCCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001304580430 1331389408 /nfs/dbraw/zinc/38/94/08/1331389408.db2.gz BUFLJFGSXLQLHK-GFCCVEGCSA-N 0 3 325.796 2.391 10 5 EEBEHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC001329557101 1334673493 /nfs/dbraw/zinc/67/34/93/1334673493.db2.gz MBQLVXTYIABHHS-AWEZNQCLSA-N 0 3 332.404 2.383 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC001351798689 1337851035 /nfs/dbraw/zinc/85/10/35/1337851035.db2.gz CJQDNQLXSNWWLU-WDEREUQCSA-N 0 3 347.462 2.116 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001620670127 1352361869 /nfs/dbraw/zinc/36/18/69/1352361869.db2.gz HUZXAUCCMFMOMQ-FZKQIMNGSA-N 0 3 344.415 2.474 10 5 EEBEHN CCN1CCC[C@H](Nc2c3cc(OC)ccc3ncc2[N+](=O)[O-])C1 ZINC001655896180 1354189076 /nfs/dbraw/zinc/18/90/76/1354189076.db2.gz BNQVKPYXZJPXQI-LBPRGKRZSA-N 0 3 330.388 2.470 10 5 EEBEHN CC(C)Oc1cc(C(=O)N[C@@]23CCN(C2)CCC3)ccc1[N+](=O)[O-] ZINC001438613452 1091103415 /nfs/dbraw/zinc/10/34/15/1091103415.db2.gz OXCBUAPCRGCGQX-KRWDZBQOSA-N 0 3 333.388 2.350 10 5 EEBEHN CN(CCCNC(=O)Cc1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001479814418 1099082506 /nfs/dbraw/zinc/08/25/06/1099082506.db2.gz DCWXCZXJYJFPCM-UHFFFAOYSA-N 0 3 330.388 2.104 10 5 EEBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)C(F)F ZINC001495115411 1100769349 /nfs/dbraw/zinc/76/93/49/1100769349.db2.gz LSVVZWGDYDTNPE-UHFFFAOYSA-N 0 3 327.331 2.379 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC001497591753 1102713513 /nfs/dbraw/zinc/71/35/13/1102713513.db2.gz VHALDRQQRHANLY-UPHRSURJSA-N 0 3 332.385 2.127 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000183327670 235010850 /nfs/dbraw/zinc/01/08/50/235010850.db2.gz YTATZAQRLFIOSX-INIZCTEOSA-N 0 3 333.432 2.447 10 5 EEBEHN COc1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079489381 217232544 /nfs/dbraw/zinc/23/25/44/217232544.db2.gz NWHGMTKWTPEGMM-AWEZNQCLSA-N 0 3 349.431 2.289 10 5 EEBEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116316943 152048265 /nfs/dbraw/zinc/04/82/65/152048265.db2.gz LOQOSRZAFUEGBE-CYBMUJFWSA-N 0 3 343.387 2.146 10 5 EEBEHN CN(C)CC1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000341974549 161028653 /nfs/dbraw/zinc/02/86/53/161028653.db2.gz XMOKIKIWKRSLIQ-UHFFFAOYSA-N 0 3 343.330 2.410 10 5 EEBEHN COc1cc(CN2C[C@@H](SC)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000352776580 162282757 /nfs/dbraw/zinc/28/27/57/162282757.db2.gz DCMWTMRZDAISLQ-UKRRQHHQSA-N 0 3 325.434 2.081 10 5 EEBEHN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N(CC)CC ZINC000343613907 288575681 /nfs/dbraw/zinc/57/56/81/288575681.db2.gz REFBSAFGLDIERV-GFCCVEGCSA-N 0 3 343.449 2.166 10 5 EEBEHN CN1CC[C@@]2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293972173 293340665 /nfs/dbraw/zinc/34/06/65/293340665.db2.gz UTNYIOYNODUOIV-QGZVFWFLSA-N 0 3 328.372 2.244 10 5 EEBEHN C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000334033399 312231257 /nfs/dbraw/zinc/23/12/57/312231257.db2.gz YCWFMGGKMJIUSX-ONGXEEELSA-N 0 3 343.330 2.409 10 5 EEBEHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532387958 317861579 /nfs/dbraw/zinc/86/15/79/317861579.db2.gz UVMGZFDLWJBCPQ-UHFFFAOYSA-N 0 3 330.344 2.183 10 5 EEBEHN COc1cc(CN[C@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000564808790 319112097 /nfs/dbraw/zinc/11/20/97/319112097.db2.gz CEGFPNQZEUKMSC-JKSUJKDBSA-N 0 3 349.431 2.336 10 5 EEBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNC[C@H]1C(F)F ZINC000576108036 320141480 /nfs/dbraw/zinc/14/14/80/320141480.db2.gz KHYDSXLJZMFIDA-ZDUSSCGKSA-N 0 3 329.347 2.421 10 5 EEBEHN O=C(CCN1CCC[C@@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337248569 465266824 /nfs/dbraw/zinc/26/68/24/465266824.db2.gz KYRILDNOFLIUFG-HIFRSBDPSA-N 0 3 333.388 2.424 10 5 EEBEHN CCn1cnnc1[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000161263579 463414803 /nfs/dbraw/zinc/41/48/03/463414803.db2.gz LOMWULBXJMNRGP-AWEZNQCLSA-N 0 3 345.403 2.465 10 5 EEBEHN Cc1ccc([C@H](C)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000164899688 463636039 /nfs/dbraw/zinc/63/60/39/463636039.db2.gz ZJGGUFKXEHBPHG-YOEHRIQHSA-N 0 3 349.431 2.437 10 5 EEBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)cs1 ZINC000282965908 463718065 /nfs/dbraw/zinc/71/80/65/463718065.db2.gz YSDJOYUPUNQDPO-OCCSQVGLSA-N 0 3 326.418 2.314 10 5 EEBEHN COc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000262169708 463964404 /nfs/dbraw/zinc/96/44/04/463964404.db2.gz HQGXUOMWMVEWDA-JDSLSITLSA-N 0 3 349.387 2.074 10 5 EEBEHN CCN1CC[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000222332934 464129450 /nfs/dbraw/zinc/12/94/50/464129450.db2.gz MCKKHZISIGPUOQ-JQWIXIFHSA-N 0 3 347.462 2.007 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1C ZINC000272220846 464523888 /nfs/dbraw/zinc/52/38/88/464523888.db2.gz KNJGYRTWIMKSLS-GXSJLCMTSA-N 0 3 349.416 2.154 10 5 EEBEHN CC(C)N1CCN(CCCN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000554550757 468419476 /nfs/dbraw/zinc/41/94/76/468419476.db2.gz NYOAWSZLJZMPKW-UHFFFAOYSA-N 0 3 346.475 2.369 10 5 EEBEHN CC[C@@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])N1CCCC1 ZINC000286128967 464812940 /nfs/dbraw/zinc/81/29/40/464812940.db2.gz MUTAGPYCDHOOMI-LBPRGKRZSA-N 0 3 336.392 2.371 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000177032198 464911344 /nfs/dbraw/zinc/91/13/44/464911344.db2.gz PQTZFKOYGIVQDR-LBPRGKRZSA-N 0 3 339.367 2.055 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286538598 464952841 /nfs/dbraw/zinc/95/28/41/464952841.db2.gz VOBGFXLCDYKTRH-TZMCWYRMSA-N 0 3 348.403 2.148 10 5 EEBEHN COC(=O)CC1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000338314863 466016315 /nfs/dbraw/zinc/01/63/15/466016315.db2.gz DFOAQRQEDOLJIP-UHFFFAOYSA-N 0 3 332.360 2.437 10 5 EEBEHN Cc1c(NC(=O)[C@@H](C)N2C[C@H]3CCC[C@@H](C2)N3)cccc1[N+](=O)[O-] ZINC000420346133 467371680 /nfs/dbraw/zinc/37/16/80/467371680.db2.gz CDWMJDVLRWRUDW-MCIONIFRSA-N 0 3 332.404 2.057 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000592166857 468645088 /nfs/dbraw/zinc/64/50/88/468645088.db2.gz JZVNQFNNMKOEMK-MSOLQXFVSA-N 0 3 344.415 2.249 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000597859261 468696463 /nfs/dbraw/zinc/69/64/63/468696463.db2.gz SLAPKBCPDMTYDQ-CYBMUJFWSA-N 0 3 334.420 2.386 10 5 EEBEHN O=[N+]([O-])c1cccc(CNCc2ccc(CN3CC[C@H](O)C3)cc2)c1 ZINC000594973042 468734772 /nfs/dbraw/zinc/73/47/72/468734772.db2.gz BYDNQUGJOIMVOD-IBGZPJMESA-N 0 3 341.411 2.451 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1 ZINC000601115330 468747279 /nfs/dbraw/zinc/74/72/79/468747279.db2.gz FZUDPIOFLQNZNI-SNVBAGLBSA-N 0 3 347.341 2.412 10 5 EEBEHN O=[N+]([O-])c1cc(F)cnc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000601194239 468777861 /nfs/dbraw/zinc/77/78/61/468777861.db2.gz VYRWYVPLFSOTHH-HNNXBMFYSA-N 0 3 346.362 2.308 10 5 EEBEHN O=C(CNC1(CCO)CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595508702 468882146 /nfs/dbraw/zinc/88/21/46/468882146.db2.gz JTTXCWGLNPPCTB-UHFFFAOYSA-N 0 3 341.795 2.472 10 5 EEBEHN COc1ccc(CNC[C@@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000572092274 468882864 /nfs/dbraw/zinc/88/28/64/468882864.db2.gz CPNAIWHZRJZBCH-HNNXBMFYSA-N 0 3 334.347 2.436 10 5 EEBEHN COc1cc(CN[C@H](CO)[C@@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595630749 468930911 /nfs/dbraw/zinc/93/09/11/468930911.db2.gz BXDBPDZMYFXIKR-QLFBSQMISA-N 0 3 338.404 2.259 10 5 EEBEHN CN1CCC(n2cc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cn2)CC1 ZINC000601780586 469020752 /nfs/dbraw/zinc/02/07/52/469020752.db2.gz SJEPKCMMQRAJCT-UHFFFAOYSA-N 0 3 347.350 2.449 10 5 EEBEHN Cc1cc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596464163 469275323 /nfs/dbraw/zinc/27/53/23/469275323.db2.gz GZXCETKOEDLBLX-RYUDHWBXSA-N 0 3 349.412 2.251 10 5 EEBEHN CC1(N2CCOCC2)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599618559 469312242 /nfs/dbraw/zinc/31/22/42/469312242.db2.gz PUZTUWMCSRDIEF-UHFFFAOYSA-N 0 3 349.431 2.160 10 5 EEBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599626104 469314726 /nfs/dbraw/zinc/31/47/26/469314726.db2.gz UEKDECKHMNFMBA-ZNZZXWJUSA-N 0 3 333.388 2.102 10 5 EEBEHN CC[C@@H](N[C@H](C)C(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537175 529204486 /nfs/dbraw/zinc/20/44/86/529204486.db2.gz HPADXRZUOHXETO-RHSMWYFYSA-N 0 3 348.447 2.188 10 5 EEBEHN CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CCN1C[C@@H](C)O ZINC000175099373 529301702 /nfs/dbraw/zinc/30/17/02/529301702.db2.gz PCXROMWRXLVZOD-HIFRSBDPSA-N 0 3 337.420 2.023 10 5 EEBEHN CC(C)SCC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001691262908 1177788164 /nfs/dbraw/zinc/78/81/64/1177788164.db2.gz WTMIBBNTZOLBKQ-UHFFFAOYSA-N 0 3 325.434 2.284 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1cncs1 ZINC001484625008 1191442660 /nfs/dbraw/zinc/44/26/60/1191442660.db2.gz NWAOAHNFLZVWJP-UHFFFAOYSA-N 0 3 346.412 2.494 10 5 EEBEHN O=[N+]([O-])c1ncccc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC001192747681 1282139446 /nfs/dbraw/zinc/13/94/46/1282139446.db2.gz WSKNTHDDFLUJHV-LBPRGKRZSA-N 0 3 328.376 2.365 10 5 EEBEHN O=[N+]([O-])c1ncccc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC001192747681 1282139453 /nfs/dbraw/zinc/13/94/53/1282139453.db2.gz WSKNTHDDFLUJHV-LBPRGKRZSA-N 0 3 328.376 2.365 10 5 EEBEHN CN(CCCN(C)C(=O)Cc1cnoc1)Cc1cccc([N+](=O)[O-])c1 ZINC001280849287 1324571663 /nfs/dbraw/zinc/57/16/63/1324571663.db2.gz BMFWZLHKZPPXEG-UHFFFAOYSA-N 0 3 346.387 2.106 10 5 EEBEHN O=C(CCN1CC[C@@H](c2cnccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001620617848 1344554688 /nfs/dbraw/zinc/55/46/88/1344554688.db2.gz QWZGBZDFRAQHKX-CYBMUJFWSA-N 0 3 341.371 2.203 10 5 EEBEHN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1N)C1CCN(C)CC1 ZINC001628264762 1352528171 /nfs/dbraw/zinc/52/81/71/1352528171.db2.gz GBWLYLLDKQZOFD-UHFFFAOYSA-N 0 3 334.420 2.369 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@]23CCN(C2)CCC3)c1 ZINC001644097849 1352757035 /nfs/dbraw/zinc/75/70/35/1352757035.db2.gz BVIXBILCYJSCDJ-KRWDZBQOSA-N 0 3 333.388 2.027 10 5 EEBEHN Cc1[nH]nc(C(=O)NCC=CCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001668751497 1355997046 /nfs/dbraw/zinc/99/70/46/1355997046.db2.gz JNBJIGXOYLXKSS-ARJAWSKDSA-N 0 3 343.387 2.011 10 5 EEBEHN COCCN(Cc1cccc([N+](=O)[O-])c1)C1CCN(C(C)=O)CC1 ZINC001699689388 1405443386 /nfs/dbraw/zinc/44/33/86/1405443386.db2.gz QQUXMFRMLKBMKO-UHFFFAOYSA-N 0 3 335.404 2.054 10 5 EEBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)c1cnco1 ZINC001568004173 1124226114 /nfs/dbraw/zinc/22/61/14/1124226114.db2.gz QBCIKNRXTQGDMZ-UHFFFAOYSA-N 0 3 344.371 2.415 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cccn1C ZINC001568725143 1124740557 /nfs/dbraw/zinc/74/05/57/1124740557.db2.gz CZDDPLCEZRHUIC-UHFFFAOYSA-N 0 3 330.388 2.185 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000091983465 218097895 /nfs/dbraw/zinc/09/78/95/218097895.db2.gz NIDPFCSSFCSQJX-DGCLKSJQSA-N 0 3 334.376 2.304 10 5 EEBEHN Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000193489725 160182574 /nfs/dbraw/zinc/18/25/74/160182574.db2.gz AVOAOJMXQUAEEM-CVEARBPZSA-N 0 3 342.399 2.224 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342459029 161067021 /nfs/dbraw/zinc/06/70/21/161067021.db2.gz BWQAXYYTJQQBSN-BXUZGUMPSA-N 0 3 333.388 2.206 10 5 EEBEHN O=C(CCN[C@H](CO)c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000352031613 162038262 /nfs/dbraw/zinc/03/82/62/162038262.db2.gz GCYKMRUNOPSIAP-CYBMUJFWSA-N 0 3 335.385 2.308 10 5 EEBEHN C[C@@H]1CCN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370007187 166375422 /nfs/dbraw/zinc/37/54/22/166375422.db2.gz FNBJTBCONAOHTF-MRXNPFEDSA-N 0 3 343.431 2.388 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122486901 222098199 /nfs/dbraw/zinc/09/81/99/222098199.db2.gz PUUMPWYUWFMCRH-JTQLQIEISA-N 0 3 342.193 2.181 10 5 EEBEHN Cc1cc(OCC(=O)NCCN2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000280613036 269378918 /nfs/dbraw/zinc/37/89/18/269378918.db2.gz SEVQWAFZNMZTDJ-CQSZACIVSA-N 0 3 335.404 2.273 10 5 EEBEHN COCCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105834094 463476027 /nfs/dbraw/zinc/47/60/27/463476027.db2.gz MYUQPJYRRJIRPY-HNNXBMFYSA-N 0 3 337.420 2.016 10 5 EEBEHN CCOC(=O)c1ccnc(N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000172765314 464140302 /nfs/dbraw/zinc/14/03/02/464140302.db2.gz IEWBZBMXSRQKLG-NEPJUHHUSA-N 0 3 336.392 2.085 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188705266 464348036 /nfs/dbraw/zinc/34/80/36/464348036.db2.gz FAQHEMWQVKKQED-AWEZNQCLSA-N 0 3 335.404 2.468 10 5 EEBEHN COc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000189261458 464464754 /nfs/dbraw/zinc/46/47/54/464464754.db2.gz ZMHCGXSKEQEUNC-SMDDNHRTSA-N 0 3 335.404 2.370 10 5 EEBEHN CO[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1C ZINC000189342923 464481251 /nfs/dbraw/zinc/48/12/51/464481251.db2.gz AZEVHRXOUPXKEJ-ABAIWWIYSA-N 0 3 339.367 2.419 10 5 EEBEHN CC(C)Oc1cc(C(=O)N2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000591083817 468405460 /nfs/dbraw/zinc/40/54/60/468405460.db2.gz VJEANMDGGXWXMH-DZGCQCFKSA-N 0 3 333.388 2.158 10 5 EEBEHN CN(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000175804504 464629957 /nfs/dbraw/zinc/62/99/57/464629957.db2.gz PKQBHNOFURTCRU-CQSZACIVSA-N 0 3 328.372 2.210 10 5 EEBEHN COc1ccc(NC(=O)CCN[C@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000358795433 465326534 /nfs/dbraw/zinc/32/65/34/465326534.db2.gz YSSBWEVLVJEESN-SNVBAGLBSA-N 0 3 333.348 2.006 10 5 EEBEHN Cc1ccc(C(=O)N2CCC(N3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600007036 468434780 /nfs/dbraw/zinc/43/47/80/468434780.db2.gz MAQVVNCFXPOQIK-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000353167814 465690069 /nfs/dbraw/zinc/69/00/69/465690069.db2.gz BVSYDICTFNHHNI-AWEZNQCLSA-N 0 3 335.404 2.484 10 5 EEBEHN C[C@@H](NCCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000338010815 465747731 /nfs/dbraw/zinc/74/77/31/465747731.db2.gz DPCWBGRXHDUOTP-CYBMUJFWSA-N 0 3 338.371 2.464 10 5 EEBEHN CCN(CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000362742674 465993319 /nfs/dbraw/zinc/99/33/19/465993319.db2.gz TUYOVUKIURKJLV-UHFFFAOYSA-N 0 3 327.331 2.016 10 5 EEBEHN CCNc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000347016727 466324225 /nfs/dbraw/zinc/32/42/25/466324225.db2.gz SXEUZYXBZJMPEQ-CQSZACIVSA-N 0 3 332.404 2.335 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000341063625 466554849 /nfs/dbraw/zinc/55/48/49/466554849.db2.gz RGYUXFRAAIKNQN-ZIAGYGMSSA-N 0 3 334.420 2.386 10 5 EEBEHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCCC1 ZINC000600229897 468502148 /nfs/dbraw/zinc/50/21/48/468502148.db2.gz WWXCAJHCNVYBQP-MRXNPFEDSA-N 0 3 347.415 2.497 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@H](C2)N3)cccc1[N+](=O)[O-] ZINC000420346136 467371640 /nfs/dbraw/zinc/37/16/40/467371640.db2.gz CDWMJDVLRWRUDW-MELADBBJSA-N 0 3 332.404 2.057 10 5 EEBEHN CC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000449420957 467641805 /nfs/dbraw/zinc/64/18/05/467641805.db2.gz HATOVMPKANFGBE-DUFXMDAXSA-N 0 3 345.346 2.306 10 5 EEBEHN Cc1cc(NC(=O)N2CCOC3(CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592243411 468663836 /nfs/dbraw/zinc/66/38/36/468663836.db2.gz YVRONPOFTRKKRL-UHFFFAOYSA-N 0 3 348.403 2.232 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592567742 468731132 /nfs/dbraw/zinc/73/11/32/468731132.db2.gz XQVRNJXUSFAYHK-QGZVFWFLSA-N 0 3 325.368 2.222 10 5 EEBEHN COC[C@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595614087 468923865 /nfs/dbraw/zinc/92/38/65/468923865.db2.gz FFDLMAXNAFVMOE-AWEZNQCLSA-N 0 3 342.367 2.274 10 5 EEBEHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN(C)C1=O ZINC000601972282 469119354 /nfs/dbraw/zinc/11/93/54/469119354.db2.gz YPNGROWOHYICEQ-MRXNPFEDSA-N 0 3 335.404 2.306 10 5 EEBEHN COC(=O)c1c(Cl)c(N2C[C@@H](C)N[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599110548 469123067 /nfs/dbraw/zinc/12/30/67/469123067.db2.gz WYHOLQRTLADYDG-DTORHVGOSA-N 0 3 327.768 2.221 10 5 EEBEHN CN(C)[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602173422 469225087 /nfs/dbraw/zinc/22/50/87/469225087.db2.gz PZJXDHMGAWQBGV-HOTGVXAUSA-N 0 3 347.415 2.403 10 5 EEBEHN Cc1cnc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596424595 469261886 /nfs/dbraw/zinc/26/18/86/469261886.db2.gz SZZMXHPCMTYSMP-INIZCTEOSA-N 0 3 342.399 2.477 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1ccn(C)c1 ZINC001268786078 1183700071 /nfs/dbraw/zinc/70/00/71/1183700071.db2.gz NNLNXFBCTKMLNV-UHFFFAOYSA-N 0 3 336.417 2.247 10 5 EEBEHN CC(COC(=O)Cc1cccc(OCc2cccnc2)c1)[N+](=O)[O-] ZINC000813115036 1201125010 /nfs/dbraw/zinc/12/50/10/1201125010.db2.gz JMHHVFAAJPBLNM-CYBMUJFWSA-N 0 3 330.340 2.412 10 5 EEBEHN CCS(=O)(=O)C1(CN[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866392663 1201505864 /nfs/dbraw/zinc/50/58/64/1201505864.db2.gz HFUIZIRHXILKED-NSHDSACASA-N 0 3 344.408 2.222 10 5 EEBEHN CCOc1cc(CN2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000930909587 1206591935 /nfs/dbraw/zinc/59/19/35/1206591935.db2.gz GQZDUUGNIGSZAF-BZPMIXESSA-N 0 3 335.404 2.468 10 5 EEBEHN CC(C)C(=O)N1CCC(N(CCO)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001489350866 1290536766 /nfs/dbraw/zinc/53/67/66/1290536766.db2.gz DVSAHSDBQWEYAV-UHFFFAOYSA-N 0 3 349.431 2.036 10 5 EEBEHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001618683211 1352352258 /nfs/dbraw/zinc/35/22/58/1352352258.db2.gz NARQSJWDNYJCHC-INIZCTEOSA-N 0 3 328.372 2.210 10 5 EEBEHN O=C(CCN1CC[C@@H](c2ncccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654914897 1354161319 /nfs/dbraw/zinc/16/13/19/1354161319.db2.gz DBTBWWQGWHEQQB-CYBMUJFWSA-N 0 3 341.371 2.203 10 5 EEBEHN C[C@@H]1CCN(c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001655192370 1354167206 /nfs/dbraw/zinc/16/72/06/1354167206.db2.gz PFHBTYGTUNWPED-CQSZACIVSA-N 0 3 329.404 2.429 10 5 EEBEHN COCCN(Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(C)=O)CC1 ZINC001699689343 1405443096 /nfs/dbraw/zinc/44/30/96/1405443096.db2.gz PIBKUALUVQNHMX-UHFFFAOYSA-N 0 3 335.404 2.054 10 5 EEBEHN CC(C)(NC(=O)C1CN(C2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000908360450 785356403 /nfs/dbraw/zinc/35/64/03/785356403.db2.gz RZPKSBSURHGJBH-UHFFFAOYSA-N 0 3 347.415 2.057 10 5 EEBEHN C[C@]1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CN2CCC1CC2 ZINC000912376685 788149130 /nfs/dbraw/zinc/14/91/30/788149130.db2.gz JZNRBAGSJOVGAY-KRWDZBQOSA-N 0 3 328.372 2.290 10 5 EEBEHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913815953 794320755 /nfs/dbraw/zinc/32/07/55/794320755.db2.gz VZEMXENZGPNFNE-RYUDHWBXSA-N 0 3 338.795 2.139 10 5 EEBEHN CCN(C)[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001181842091 800929885 /nfs/dbraw/zinc/92/98/85/800929885.db2.gz ZCFXEXXTPQPCJR-OAHLLOKOSA-N 0 3 333.388 2.110 10 5 EEBEHN CC(=O)CCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001480191144 1099791967 /nfs/dbraw/zinc/79/19/67/1099791967.db2.gz GWCGOZTVRCCEBO-GASCZTMLSA-N 0 3 333.388 2.091 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](NC[C@]2(O)CCOC2)c2ccccc2)c1 ZINC000352907638 162340590 /nfs/dbraw/zinc/34/05/90/162340590.db2.gz HHJITKQJRJBYMN-QZTJIDSGSA-N 0 3 328.368 2.425 10 5 EEBEHN C[C@H]1CCN(Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370007184 166375406 /nfs/dbraw/zinc/37/54/06/166375406.db2.gz FNBJTBCONAOHTF-INIZCTEOSA-N 0 3 343.431 2.388 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000338743986 274004785 /nfs/dbraw/zinc/00/47/85/274004785.db2.gz JWBANOIUYFKTGE-QGZVFWFLSA-N 0 3 333.388 2.304 10 5 EEBEHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000419008244 274348830 /nfs/dbraw/zinc/34/88/30/274348830.db2.gz VJODXKSTSVYDIZ-QWHCGFSZSA-N 0 3 330.388 2.034 10 5 EEBEHN COC(=O)c1cc(C)nc(N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376260458 277420666 /nfs/dbraw/zinc/42/06/66/277420666.db2.gz OFSWXZGGFQOPCL-QWHCGFSZSA-N 0 3 348.403 2.148 10 5 EEBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CCN(C)C ZINC000293939456 293331793 /nfs/dbraw/zinc/33/17/93/293331793.db2.gz CNEIYBIWZXXOJE-OUKQBFOZSA-N 0 3 343.387 2.395 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000302104268 294930473 /nfs/dbraw/zinc/93/04/73/294930473.db2.gz RGYPMEIMMCFUKU-CQSZACIVSA-N 0 3 333.388 2.446 10 5 EEBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H]2C[C@H]1CS2 ZINC000575338220 320101999 /nfs/dbraw/zinc/10/19/99/320101999.db2.gz ZRMSITHLWBSEBH-RYUDHWBXSA-N 0 3 335.385 2.083 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCSCC1 ZINC000089979809 462760495 /nfs/dbraw/zinc/76/04/95/462760495.db2.gz JBMPNVKHSOUTKR-UHFFFAOYSA-N 0 3 339.417 2.371 10 5 EEBEHN Cc1cnn([C@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000137050466 463275353 /nfs/dbraw/zinc/27/53/53/463275353.db2.gz YSKWBKAVJUSNQE-IRXDYDNUSA-N 0 3 330.388 2.470 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CC[NH+](C)C)c1 ZINC000272429107 464603439 /nfs/dbraw/zinc/60/34/39/464603439.db2.gz GFTHHZNXSIJKKF-SNVBAGLBSA-N 0 3 349.840 2.175 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000176286000 464740424 /nfs/dbraw/zinc/74/04/24/464740424.db2.gz JPGNGFXZTVIRJQ-HOTGVXAUSA-N 0 3 330.388 2.379 10 5 EEBEHN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594045669 468471779 /nfs/dbraw/zinc/47/17/79/468471779.db2.gz XOFSMEUJIRZLAT-CVEARBPZSA-N 0 3 335.404 2.495 10 5 EEBEHN Cn1cc(CN2CC[C@H]3COC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597231672 468488602 /nfs/dbraw/zinc/48/86/02/468488602.db2.gz PHTKTXASEJQKSV-GOEBONIOSA-N 0 3 342.399 2.464 10 5 EEBEHN CC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000449420958 467642347 /nfs/dbraw/zinc/64/23/47/467642347.db2.gz HATOVMPKANFGBE-LJWDBELGSA-N 0 3 345.346 2.306 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000450397928 467842672 /nfs/dbraw/zinc/84/26/72/467842672.db2.gz WQDLJPLIRQYHRG-WBVHZDCISA-N 0 3 342.399 2.285 10 5 EEBEHN CN(CCCN1CCN(C)CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488073924 468070467 /nfs/dbraw/zinc/07/04/67/468070467.db2.gz AUCGEKBABJXWEM-UHFFFAOYSA-N 0 3 343.431 2.217 10 5 EEBEHN CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CCN(C)C1 ZINC000597945977 468721505 /nfs/dbraw/zinc/72/15/05/468721505.db2.gz LNDDUDKTBBVUJG-AWEZNQCLSA-N 0 3 343.387 2.151 10 5 EEBEHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCC1 ZINC000598975976 469074357 /nfs/dbraw/zinc/07/43/57/469074357.db2.gz LJZCKYFKMKDMMU-KRWDZBQOSA-N 0 3 346.431 2.453 10 5 EEBEHN Cc1cc(N2CC[C@@H](F)[C@H](N)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596030117 469123264 /nfs/dbraw/zinc/12/32/64/469123264.db2.gz JVCSWDZCVRQAEW-ZIAGYGMSSA-N 0 3 331.351 2.236 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOCC2(CC2)C1 ZINC000611815686 469329010 /nfs/dbraw/zinc/32/90/10/469329010.db2.gz YZICIZKDTHNJGF-UHFFFAOYSA-N 0 3 333.388 2.344 10 5 EEBEHN CN(C)[C@@H]1[C@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C[C@H]21 ZINC000627654482 469967354 /nfs/dbraw/zinc/96/73/54/469967354.db2.gz BLZPHRXVROWYPQ-MNZLEMJZSA-N 0 3 347.418 2.313 10 5 EEBEHN CC1(C)CCCN(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000767442322 577537169 /nfs/dbraw/zinc/53/71/69/577537169.db2.gz RVUUCJLLOMYLOU-UHFFFAOYSA-N 0 3 348.403 2.460 10 5 EEBEHN COCC1(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001266718506 1177268723 /nfs/dbraw/zinc/26/87/23/1177268723.db2.gz SCYHRSGZSFYVKW-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN CC(C)C(=O)N1CCC(N(CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001750945579 1178613832 /nfs/dbraw/zinc/61/38/32/1178613832.db2.gz SFTKCMNVNIDYHB-UHFFFAOYSA-N 0 3 349.431 2.036 10 5 EEBEHN COc1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC001267458415 1179045222 /nfs/dbraw/zinc/04/52/22/1179045222.db2.gz NXQAHPKDGDOWQM-UHFFFAOYSA-N 0 3 343.383 2.465 10 5 EEBEHN Cc1ccc(CC(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001481223059 1180352054 /nfs/dbraw/zinc/35/20/54/1180352054.db2.gz RUNWNSUNDBOXNC-UHFFFAOYSA-N 0 3 331.372 2.287 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnoc1C1CC1 ZINC001481297651 1180946063 /nfs/dbraw/zinc/94/60/63/1180946063.db2.gz GDJWFCHPQHBUGZ-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccoc1 ZINC001268787344 1183704966 /nfs/dbraw/zinc/70/49/66/1183704966.db2.gz FAIVRBFZNKAJJU-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1oncc1C ZINC001482958816 1187889134 /nfs/dbraw/zinc/88/91/34/1187889134.db2.gz HPIJZAYQGWEESL-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN O=C(Cc1cscn1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001483066728 1188396811 /nfs/dbraw/zinc/39/68/11/1188396811.db2.gz CDAFJERJAUCHHF-UPHRSURJSA-N 0 3 346.412 2.056 10 5 EEBEHN CC1(C)CCNCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000866804101 1201609436 /nfs/dbraw/zinc/60/94/36/1201609436.db2.gz QSAOWOXLLJWNNF-UHFFFAOYSA-N 0 3 347.824 2.011 10 5 EEBEHN O=C(CCCF)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001277027217 1300937816 /nfs/dbraw/zinc/93/78/16/1300937816.db2.gz PCLATEWMKPMWHJ-UMSPYCQHSA-N 0 3 329.397 2.390 10 5 EEBEHN CCc1ocnc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001264973329 1322822502 /nfs/dbraw/zinc/82/25/02/1322822502.db2.gz STBRUIAUJNIXDB-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC001652316646 1354087180 /nfs/dbraw/zinc/08/71/80/1354087180.db2.gz BQHGQXBNGJDLID-YOEHRIQHSA-N 0 3 328.372 2.298 10 5 EEBEHN CN(C(=O)CNC1([C@@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001660642899 1354508059 /nfs/dbraw/zinc/50/80/59/1354508059.db2.gz ZTXUCOSMTOQZMN-HNNXBMFYSA-N 0 3 333.388 2.249 10 5 EEBEHN CC(C)OCC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001673146310 1356649574 /nfs/dbraw/zinc/64/95/74/1356649574.db2.gz DGKOFZDWSCQXNS-UHFFFAOYSA-N 0 3 335.404 2.148 10 5 EEBEHN CC([C@@H](OC(=O)c1cn(CC2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883750 789974433 /nfs/dbraw/zinc/97/44/33/789974433.db2.gz VRFYRIRMPKMLMO-ZUZCIYMTSA-N 0 3 348.334 2.391 10 5 EEBEHN CCN(CCCNC(=O)c1cnccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566540006 1125707384 /nfs/dbraw/zinc/70/73/84/1125707384.db2.gz VQEDNKFNMCVKSF-UHFFFAOYSA-N 0 3 343.387 2.027 10 5 EEBEHN Cc1c[nH]c(C(=O)N(C)CCCN(C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001502381937 1113656619 /nfs/dbraw/zinc/65/66/19/1113656619.db2.gz IRVUTXQJNYHEKF-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN CC(C)(O)CC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001568235574 1124378819 /nfs/dbraw/zinc/37/88/19/1124378819.db2.gz RLAQOSHHBVGFFP-UHFFFAOYSA-N 0 3 349.431 2.274 10 5 EEBEHN O=[N+]([O-])c1cnc(N2CC[C@@H](OCCN3CCCCC3)C2)s1 ZINC000337029451 285176336 /nfs/dbraw/zinc/17/63/36/285176336.db2.gz XJHLWPDWQDDMCW-GFCCVEGCSA-N 0 3 326.422 2.133 10 5 EEBEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245476431 160238454 /nfs/dbraw/zinc/23/84/54/160238454.db2.gz SUHCLCIVRBHGFD-CJNGLKHVSA-N 0 3 334.420 2.338 10 5 EEBEHN CC[C@@H](C)N[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000343250073 161116699 /nfs/dbraw/zinc/11/66/99/161116699.db2.gz LWFWMRNTLIUONA-ZWNOBZJWSA-N 0 3 347.375 2.223 10 5 EEBEHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358982650 164029407 /nfs/dbraw/zinc/02/94/07/164029407.db2.gz PADHGXZZPDURPT-LLVKDONJSA-N 0 3 343.330 2.362 10 5 EEBEHN O=C1C[C@H](N2C[C@@H]3CCCC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000246106130 292600353 /nfs/dbraw/zinc/60/03/53/292600353.db2.gz BNRXEXPUSIVGPA-XEZPLFJOSA-N 0 3 343.383 2.349 10 5 EEBEHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000295687064 293789833 /nfs/dbraw/zinc/78/98/33/293789833.db2.gz HVTWWOQCCTUJQT-BBBLOLIVSA-N 0 3 329.784 2.182 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN(C[C@H]1CCCO1)C1CCCC1 ZINC000159849826 311346960 /nfs/dbraw/zinc/34/69/60/311346960.db2.gz GUTUOXKMZDBHFW-MRXNPFEDSA-N 0 3 335.404 2.180 10 5 EEBEHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CN2CCC1CC2 ZINC000347960311 465336754 /nfs/dbraw/zinc/33/67/54/465336754.db2.gz WTTLAAUOICICNI-MRXNPFEDSA-N 0 3 328.372 2.242 10 5 EEBEHN CN1CCN(C[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000065568662 462799863 /nfs/dbraw/zinc/79/98/63/462799863.db2.gz XYAZFRWVMLIUBY-CQSZACIVSA-N 0 3 336.411 2.198 10 5 EEBEHN COCCN(C)C(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000070037948 463370581 /nfs/dbraw/zinc/37/05/81/463370581.db2.gz QSHIWRXKHNRZRM-INIZCTEOSA-N 0 3 349.431 2.220 10 5 EEBEHN COc1cc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194315272 463834812 /nfs/dbraw/zinc/83/48/12/463834812.db2.gz SRWPZKUOQMMBNZ-SJLPKXTDSA-N 0 3 346.383 2.096 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2C[C@H](OC)C23CCC3)c1 ZINC000590971145 468387633 /nfs/dbraw/zinc/38/76/33/468387633.db2.gz OXHONFXEMQQMJL-GJZGRUSLSA-N 0 3 334.372 2.429 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2CCCC[C@@H]2C1 ZINC000172804069 464145753 /nfs/dbraw/zinc/14/57/53/464145753.db2.gz UASQARLIBRQNEL-MRXNPFEDSA-N 0 3 346.431 2.402 10 5 EEBEHN Cc1cc(OCC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000281654642 464537246 /nfs/dbraw/zinc/53/72/46/464537246.db2.gz NCIATWIIBNMKNH-ZIAGYGMSSA-N 0 3 335.404 2.223 10 5 EEBEHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183200898 464821158 /nfs/dbraw/zinc/82/11/58/464821158.db2.gz DGEUGTHINCHQEK-TVQRCGJNSA-N 0 3 327.768 2.344 10 5 EEBEHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000266945247 464881290 /nfs/dbraw/zinc/88/12/90/464881290.db2.gz RELPHBHUSZRXDM-OAUYIBNBSA-N 0 3 348.378 2.374 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(N(C)C)CCSC2)c1 ZINC000360136121 465539516 /nfs/dbraw/zinc/53/95/16/465539516.db2.gz SSWQYBGJWWPTLX-HNNXBMFYSA-N 0 3 339.417 2.231 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1cccs1 ZINC000353320396 465794301 /nfs/dbraw/zinc/79/43/01/465794301.db2.gz WWANVNTVHUIVSN-HZMBPMFUSA-N 0 3 349.416 2.192 10 5 EEBEHN CN(C)C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000353381193 465845358 /nfs/dbraw/zinc/84/53/58/465845358.db2.gz MBWISYRMXCWTDM-UHFFFAOYSA-N 0 3 343.330 2.410 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(C(=O)N(CCN2CCCCCC2)C2CCC2)n1 ZINC000345769329 465901261 /nfs/dbraw/zinc/90/12/61/465901261.db2.gz SHSGQXDTNNCNID-UHFFFAOYSA-N 0 3 349.435 2.199 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(CO)(CO)C3)o2)cc1 ZINC000597219556 468483998 /nfs/dbraw/zinc/48/39/98/468483998.db2.gz TWLQFEQFTPETIC-UHFFFAOYSA-N 0 3 332.356 2.032 10 5 EEBEHN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000417844016 466953336 /nfs/dbraw/zinc/95/33/36/466953336.db2.gz HHGAFNWIGNPCMH-ZWNOBZJWSA-N 0 3 342.346 2.261 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000589503237 468158329 /nfs/dbraw/zinc/15/83/29/468158329.db2.gz LDARWBYHDIAMNB-UONOGXRCSA-N 0 3 334.372 2.240 10 5 EEBEHN CN1C[C@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000590010374 468205280 /nfs/dbraw/zinc/20/52/80/468205280.db2.gz GNWSGKWRAPZWCH-CJNGLKHVSA-N 0 3 328.372 2.386 10 5 EEBEHN COc1cccc(C(=O)NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600468715 468566420 /nfs/dbraw/zinc/56/64/20/468566420.db2.gz GYMUQOGUOXVSBJ-CYBMUJFWSA-N 0 3 333.388 2.350 10 5 EEBEHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963216 468732422 /nfs/dbraw/zinc/73/24/22/468732422.db2.gz HVMSHSWRTAYWLK-SGIREYDYSA-N 0 3 326.368 2.390 10 5 EEBEHN C[C@@H](C(=O)N1CCOC2(CCN(C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000592898604 468818812 /nfs/dbraw/zinc/81/88/12/468818812.db2.gz JFDQQSJFTNWJQH-CQSZACIVSA-N 0 3 347.415 2.022 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000595382110 468833806 /nfs/dbraw/zinc/83/38/06/468833806.db2.gz PGUWLZDZRQZRHR-UHFFFAOYSA-N 0 3 343.449 2.302 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C2(O)CC2)CC1 ZINC000593050094 468851594 /nfs/dbraw/zinc/85/15/94/468851594.db2.gz OQHBVOFMBXYVTR-UHFFFAOYSA-N 0 3 347.415 2.469 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]C2CCC([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601445533 468876336 /nfs/dbraw/zinc/87/63/36/468876336.db2.gz FLWKTTAWSRQPPU-UHFFFAOYSA-N 0 3 347.462 2.116 10 5 EEBEHN CC[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598531639 468903201 /nfs/dbraw/zinc/90/32/01/468903201.db2.gz NOSFRNNAOCIMJY-GXTWGEPZSA-N 0 3 333.388 2.157 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000595635457 468932669 /nfs/dbraw/zinc/93/26/69/468932669.db2.gz VEQZCMGBUKBUTA-DAXOMENPSA-N 0 3 338.404 2.259 10 5 EEBEHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN(C)C1=O ZINC000601972280 469119854 /nfs/dbraw/zinc/11/98/54/469119854.db2.gz YPNGROWOHYICEQ-INIZCTEOSA-N 0 3 335.404 2.306 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN1CCC(C)(N2CCOCC2)CC1 ZINC000599621428 469312575 /nfs/dbraw/zinc/31/25/75/469312575.db2.gz BDWXIQLMAKAPOO-UHFFFAOYSA-N 0 3 349.431 2.290 10 5 EEBEHN CN1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756951648 577853736 /nfs/dbraw/zinc/85/37/36/577853736.db2.gz VIUNPRHKLDORQD-LLVKDONJSA-N 0 3 326.784 2.142 10 5 EEBEHN Cc1ccc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)cc1[N+](=O)[O-] ZINC000914291411 683462466 /nfs/dbraw/zinc/46/24/66/683462466.db2.gz KWJPZHRMKBVACI-HNNXBMFYSA-N 0 3 340.401 2.098 10 5 EEBEHN Cc1cccc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1[N+](=O)[O-] ZINC000914292165 683462876 /nfs/dbraw/zinc/46/28/76/683462876.db2.gz SLYZYYJTJZFMBE-HNNXBMFYSA-N 0 3 340.401 2.098 10 5 EEBEHN Cc1nocc1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001273146954 1197027697 /nfs/dbraw/zinc/02/76/97/1197027697.db2.gz IAAWVWROMKOFPV-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN CC(COC(=O)c1cnn(-c2ccncc2)c1C(F)F)[N+](=O)[O-] ZINC000813105944 1201098424 /nfs/dbraw/zinc/09/84/24/1201098424.db2.gz VVRMIUMSBLTBRU-QMMMGPOBSA-N 0 3 326.259 2.027 10 5 EEBEHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1I ZINC000813114040 1201123676 /nfs/dbraw/zinc/12/36/76/1201123676.db2.gz LNNSPGCYZBXVEV-MRVPVSSYSA-N 0 3 349.124 2.422 10 5 EEBEHN CC(=O)c1c([N+](=O)[O-])cccc1N1CCOC2(CCN(C)CC2)C1 ZINC000882518264 1201888531 /nfs/dbraw/zinc/88/85/31/1201888531.db2.gz PQRULENWDHTLGG-UHFFFAOYSA-N 0 3 333.388 2.098 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000928456069 1206387572 /nfs/dbraw/zinc/38/75/72/1206387572.db2.gz LIUOKNYHJJUMSG-TZMCWYRMSA-N 0 3 332.404 2.017 10 5 EEBEHN C[C@@H](NCC[S@@](=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850498251 1277249829 /nfs/dbraw/zinc/24/98/29/1277249829.db2.gz YYDPSYNYUUIOTQ-CWMRNNLJSA-N 0 3 339.339 2.139 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853748948 1292444484 /nfs/dbraw/zinc/44/44/84/1292444484.db2.gz UMKZOTPQLAOPHF-SNVBAGLBSA-N 0 3 334.376 2.210 10 5 EEBEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000861347888 1295351974 /nfs/dbraw/zinc/35/19/74/1295351974.db2.gz BAHFUTKTJGIHRI-RDJZCZTQSA-N 0 3 336.388 2.180 10 5 EEBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)c1cocn1 ZINC001318627351 1332569969 /nfs/dbraw/zinc/56/99/69/1332569969.db2.gz SHHXMIYQYNHLBS-UHFFFAOYSA-N 0 3 344.371 2.415 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1cccnc1 ZINC001322384432 1333257614 /nfs/dbraw/zinc/25/76/14/1333257614.db2.gz XSXIHYGFHGWDTA-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001349760686 1337645518 /nfs/dbraw/zinc/64/55/18/1337645518.db2.gz RVGNTIQOLVOVJB-OAHLLOKOSA-N 0 3 334.372 2.313 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@]1(CO)CC[C@H](C)c2ccccc21 ZINC001620670129 1352361879 /nfs/dbraw/zinc/36/18/79/1352361879.db2.gz HUZXAUCCMFMOMQ-UGSOOPFHSA-N 0 3 344.415 2.474 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC(N[C@H]2CCOC2)C1 ZINC001652275101 1354085002 /nfs/dbraw/zinc/08/50/02/1354085002.db2.gz LJZLWEQGGBROLO-QMMMGPOBSA-N 0 3 332.187 2.469 10 5 EEBEHN CON1CCC(NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000709325452 786948576 /nfs/dbraw/zinc/94/85/76/786948576.db2.gz NJWANIHEWODLOX-UHFFFAOYSA-N 0 3 344.209 2.473 10 5 EEBEHN CCn1ccc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001566498248 1125666513 /nfs/dbraw/zinc/66/65/13/1125666513.db2.gz YQCIWDCJOGJTPV-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000425348934 241133623 /nfs/dbraw/zinc/13/36/23/241133623.db2.gz CWBBIWUMMLSVFV-SECBINFHSA-N 0 3 339.302 2.304 10 5 EEBEHN Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000249204373 160376521 /nfs/dbraw/zinc/37/65/21/160376521.db2.gz AVOAOJMXQUAEEM-HOTGVXAUSA-N 0 3 342.399 2.224 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCN1C ZINC000122699410 222140534 /nfs/dbraw/zinc/14/05/34/222140534.db2.gz DJMHLGQOPBUXAC-NXEZZACHSA-N 0 3 327.331 2.428 10 5 EEBEHN CC(C)(C)N1CC[C@](F)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000289486032 275120484 /nfs/dbraw/zinc/12/04/84/275120484.db2.gz CGVNSHQNMVIHRO-QGZVFWFLSA-N 0 3 337.395 2.466 10 5 EEBEHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000290860033 275246957 /nfs/dbraw/zinc/24/69/57/275246957.db2.gz OXVRTSMKWCFHAQ-KRWDZBQOSA-N 0 3 337.395 2.466 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000366598052 280118518 /nfs/dbraw/zinc/11/85/18/280118518.db2.gz NFEJREREMOWTCY-XJKSGUPXSA-N 0 3 340.383 2.383 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3ccncc3)CC2)c1 ZINC000302092649 294929008 /nfs/dbraw/zinc/92/90/08/294929008.db2.gz MRFHZKRDSQACFC-UHFFFAOYSA-N 0 3 342.355 2.103 10 5 EEBEHN NC(=O)[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000567426171 319378304 /nfs/dbraw/zinc/37/83/04/319378304.db2.gz JFXDRXXODLLXFC-KRWDZBQOSA-N 0 3 338.367 2.435 10 5 EEBEHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000574837245 320061934 /nfs/dbraw/zinc/06/19/34/320061934.db2.gz TYJAMJPKKMJDAD-OAHLLOKOSA-N 0 3 332.335 2.162 10 5 EEBEHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351645034 465269047 /nfs/dbraw/zinc/26/90/47/465269047.db2.gz ULMLBTNAJZHMOJ-AWEZNQCLSA-N 0 3 343.387 2.102 10 5 EEBEHN Cc1c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000113227386 462578078 /nfs/dbraw/zinc/57/80/78/462578078.db2.gz ORNCJAOHDDJGPW-JQWIXIFHSA-N 0 3 348.359 2.120 10 5 EEBEHN CCOc1ccc([C@H](C)NC[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000154261390 462747628 /nfs/dbraw/zinc/74/76/28/462747628.db2.gz UBZARJJQLDWTAL-GUYCJALGSA-N 0 3 338.404 2.433 10 5 EEBEHN CN(C)C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000160015285 463314903 /nfs/dbraw/zinc/31/49/03/463314903.db2.gz NYINJUBDUBTLIJ-ZDUSSCGKSA-N 0 3 347.337 2.376 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000124998169 463489848 /nfs/dbraw/zinc/48/98/48/463489848.db2.gz UUUWXLWBRATKCK-IUODEOHRSA-N 0 3 333.388 2.094 10 5 EEBEHN COC(=O)c1cc(C)nc(N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000287109968 463803276 /nfs/dbraw/zinc/80/32/76/463803276.db2.gz ZOKCZGKKZARCGI-LLVKDONJSA-N 0 3 334.376 2.147 10 5 EEBEHN O=[N+]([O-])c1ccccc1OCCN1CCNC[C@H]1c1cccnc1 ZINC000261711276 463835600 /nfs/dbraw/zinc/83/56/00/463835600.db2.gz KLUOBHYPUXECRK-INIZCTEOSA-N 0 3 328.372 2.015 10 5 EEBEHN C[C@H](CCN1CCN(C)CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000185873481 463896212 /nfs/dbraw/zinc/89/62/12/463896212.db2.gz XVHZEUWPBPKXPE-CYBMUJFWSA-N 0 3 340.855 2.364 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177005209 464903765 /nfs/dbraw/zinc/90/37/65/464903765.db2.gz NVRKNNWMFGWCIJ-LBPRGKRZSA-N 0 3 336.348 2.059 10 5 EEBEHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000347951929 465331652 /nfs/dbraw/zinc/33/16/52/465331652.db2.gz QFIQSQMLOUTRFC-QGZVFWFLSA-N 0 3 346.431 2.340 10 5 EEBEHN O=C(NCc1ccccc1CN1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000348658239 465731824 /nfs/dbraw/zinc/73/18/24/465731824.db2.gz WAPIZAZRDPTVLM-UHFFFAOYSA-N 0 3 343.387 2.234 10 5 EEBEHN COC[C@H](CC1CCOCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118539 468449839 /nfs/dbraw/zinc/44/98/39/468449839.db2.gz XUIIKNPCHWLJEG-ZDUSSCGKSA-N 0 3 348.403 2.392 10 5 EEBEHN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCCO1 ZINC000594041079 468469285 /nfs/dbraw/zinc/46/92/85/468469285.db2.gz CEFUHXFRQDXARL-WBVHZDCISA-N 0 3 347.415 2.421 10 5 EEBEHN C[C@@H]1CCN(Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000362870726 466087051 /nfs/dbraw/zinc/08/70/51/466087051.db2.gz HHQFKDTZPHSTGJ-MRXNPFEDSA-N 0 3 343.431 2.388 10 5 EEBEHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1O ZINC000597205087 468479369 /nfs/dbraw/zinc/47/93/69/468479369.db2.gz LKLWUDJBMNUHRU-STQMWFEESA-N 0 3 344.415 2.444 10 5 EEBEHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375151707 466822833 /nfs/dbraw/zinc/82/28/33/466822833.db2.gz JVJLFFSQULPFER-GUYCJALGSA-N 0 3 340.383 2.240 10 5 EEBEHN O=[N+]([O-])c1ccc(NCC2(O)CCN(Cc3ccccc3)CC2)cn1 ZINC000397685002 467443196 /nfs/dbraw/zinc/44/31/96/467443196.db2.gz NFYCJVZQVKOIFT-UHFFFAOYSA-N 0 3 342.399 2.429 10 5 EEBEHN CCN1CCN(C[C@@H](C)CNc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000583470732 468701472 /nfs/dbraw/zinc/70/14/72/468701472.db2.gz AGEFZEHGHVLHKR-AWEZNQCLSA-N 0 3 336.436 2.289 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595523169 468887870 /nfs/dbraw/zinc/88/78/70/468887870.db2.gz PHKWZZKSVKNYGT-AWEZNQCLSA-N 0 3 334.420 2.309 10 5 EEBEHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595635383 468933242 /nfs/dbraw/zinc/93/32/42/468933242.db2.gz ULZCYESIFWZRRQ-NILFDRSVSA-N 0 3 326.368 2.390 10 5 EEBEHN COc1cccc([C@]2(C)CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000595765471 468997950 /nfs/dbraw/zinc/99/79/50/468997950.db2.gz LIOLANPMXVQYGR-QGZVFWFLSA-N 0 3 330.388 2.464 10 5 EEBEHN C[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000601774770 469018100 /nfs/dbraw/zinc/01/81/00/469018100.db2.gz DMXYSKFNWPDFNK-KSSFIOAISA-N 0 3 349.431 2.183 10 5 EEBEHN CC[C@H](CN1CCCC1)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000587979778 469097644 /nfs/dbraw/zinc/09/76/44/469097644.db2.gz LFFFXASOJPDGSQ-GFCCVEGCSA-N 0 3 336.392 2.371 10 5 EEBEHN CN(C)CC1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000615505754 469250761 /nfs/dbraw/zinc/25/07/61/469250761.db2.gz KHXKNFHIPQZKIL-UHFFFAOYSA-N 0 3 335.407 2.315 10 5 EEBEHN COc1ccc(C(C)(C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000599598748 469304727 /nfs/dbraw/zinc/30/47/27/469304727.db2.gz SZFYPDPHDCYCKB-UHFFFAOYSA-N 0 3 349.362 2.429 10 5 EEBEHN O=C(OCc1c(F)cccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924061970 678319639 /nfs/dbraw/zinc/31/96/39/678319639.db2.gz HWOAWOAKCGNISR-NSHDSACASA-N 0 3 336.319 2.178 10 5 EEBEHN Cc1cnccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001266692070 1177212796 /nfs/dbraw/zinc/21/27/96/1177212796.db2.gz FOCWPTUNOOZBLA-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccc[nH]1 ZINC001267365992 1178855977 /nfs/dbraw/zinc/85/59/77/1178855977.db2.gz UOUMFTHHJYKAHC-BQYQJAHWSA-N 0 3 328.372 2.184 10 5 EEBEHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CCC2)C1=O ZINC000866397137 1201507606 /nfs/dbraw/zinc/50/76/06/1201507606.db2.gz CXZDBZICZXAZNH-XHDPSFHLSA-N 0 3 335.379 2.408 10 5 EEBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[S@](=O)CC(F)(F)F ZINC000850495314 1277245857 /nfs/dbraw/zinc/24/58/57/1277245857.db2.gz ZRNZVCHYGWAVIT-SAHAZLINSA-N 0 3 336.335 2.483 10 5 EEBEHN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3NCc4ccccc43)n2)n1C ZINC000854153577 1292649241 /nfs/dbraw/zinc/64/92/41/1292649241.db2.gz OALUZULOICAKLN-LBPRGKRZSA-N 0 3 340.343 2.074 10 5 EEBEHN Cc1c[nH]nc1C(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001280806856 1324531015 /nfs/dbraw/zinc/53/10/15/1324531015.db2.gz YYHTYIUWFKZLAJ-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN CN1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001558503799 1342479137 /nfs/dbraw/zinc/47/91/37/1342479137.db2.gz RIMNMDZMHRMYNB-OAHLLOKOSA-N 0 3 330.388 2.075 10 5 EEBEHN CCc1oncc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001669070301 1356083476 /nfs/dbraw/zinc/08/34/76/1356083476.db2.gz RWMVIKXXRIOTRT-ONEGZZNKSA-N 0 3 344.371 2.221 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCCCN1CCO ZINC000824584003 788247147 /nfs/dbraw/zinc/24/71/47/788247147.db2.gz USGRBMSBCYOCGB-CQSZACIVSA-N 0 3 327.812 2.185 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000921839169 796901698 /nfs/dbraw/zinc/90/16/98/796901698.db2.gz XVKFMHYODWLPHK-MFKMUULPSA-N 0 3 340.811 2.183 10 5 EEBEHN C[C@@H](NCCNC(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788631433 807615608 /nfs/dbraw/zinc/61/56/08/807615608.db2.gz MENPRDIUCIWQEM-GFCCVEGCSA-N 0 3 328.372 2.258 10 5 EEBEHN CCCc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001493746662 1108615896 /nfs/dbraw/zinc/61/58/96/1108615896.db2.gz RUOLNGXKPUTNKT-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC001460554274 1110310668 /nfs/dbraw/zinc/31/06/68/1110310668.db2.gz FGWQWHUZBNZSPJ-SECBINFHSA-N 0 3 331.332 2.297 10 5 EEBEHN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193299228 240098087 /nfs/dbraw/zinc/09/80/87/240098087.db2.gz UDPMXEIJDPKKFY-UHFFFAOYSA-N 0 3 349.840 2.352 10 5 EEBEHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451343713 243083283 /nfs/dbraw/zinc/08/32/83/243083283.db2.gz OVXLSFYVSAFFSI-INMHGKMJSA-N 0 3 347.415 2.209 10 5 EEBEHN CCN1CCC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000172621442 152101210 /nfs/dbraw/zinc/10/12/10/152101210.db2.gz KWLDEDIBZKTSCW-HNNXBMFYSA-N 0 3 334.420 2.387 10 5 EEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000128956332 292349711 /nfs/dbraw/zinc/34/97/11/292349711.db2.gz JABMGCYQCYCQFZ-NSHDSACASA-N 0 3 326.372 2.022 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000110083777 159357002 /nfs/dbraw/zinc/35/70/02/159357002.db2.gz OCYHXSSTGSGYJP-AWEZNQCLSA-N 0 3 336.392 2.136 10 5 EEBEHN COc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000188722959 160127780 /nfs/dbraw/zinc/12/77/80/160127780.db2.gz VTQWYRHELLXSES-UHFFFAOYSA-N 0 3 327.340 2.137 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123005683 222197914 /nfs/dbraw/zinc/19/79/14/222197914.db2.gz BLXZPBLWLPQATP-UONOGXRCSA-N 0 3 335.404 2.305 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000123866731 222344347 /nfs/dbraw/zinc/34/43/47/222344347.db2.gz WZBFSRWDPFOIMM-UONOGXRCSA-N 0 3 334.420 2.338 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN4CCCC[C@H]4C3)o2)cc1 ZINC000246119625 274095855 /nfs/dbraw/zinc/09/58/55/274095855.db2.gz AOLLHBPVAQZMPR-HNNXBMFYSA-N 0 3 343.387 2.315 10 5 EEBEHN COC(=O)c1cc(C)nc(NC2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000286004322 274826466 /nfs/dbraw/zinc/82/64/66/274826466.db2.gz DOKMZCIZNQNQRY-UHFFFAOYSA-N 0 3 336.392 2.370 10 5 EEBEHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000421709961 314147611 /nfs/dbraw/zinc/14/76/11/314147611.db2.gz IBNPPPNBPVAJIU-NSHDSACASA-N 0 3 343.330 2.362 10 5 EEBEHN C[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000507235116 316375827 /nfs/dbraw/zinc/37/58/27/316375827.db2.gz ZDTYVDOIBDGTPW-SWLSCSKDSA-N 0 3 341.433 2.060 10 5 EEBEHN CCCS(=O)(=O)C(C)C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071903352 463464683 /nfs/dbraw/zinc/46/46/83/463464683.db2.gz UJEIJPSQPAVHRD-NEPJUHHUSA-N 0 3 342.417 2.328 10 5 EEBEHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802846 463466989 /nfs/dbraw/zinc/46/69/89/463466989.db2.gz UFIFMZREGBXNTD-INIZCTEOSA-N 0 3 327.388 2.486 10 5 EEBEHN Cc1ccc([C@@H](C)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000164899577 463636780 /nfs/dbraw/zinc/63/67/80/463636780.db2.gz ZJGGUFKXEHBPHG-PBHICJAKSA-N 0 3 349.431 2.437 10 5 EEBEHN CN(CCN1CCCCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593884225 468420239 /nfs/dbraw/zinc/42/02/39/468420239.db2.gz VDURVPFEYYWFMI-UHFFFAOYSA-N 0 3 341.358 2.360 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000176883064 464874496 /nfs/dbraw/zinc/87/44/96/464874496.db2.gz QRULXDGSFQUWOE-MRXNPFEDSA-N 0 3 328.372 2.331 10 5 EEBEHN CN(Cc1ccc([N+](=O)[O-])cc1)C1CCN(c2cnccn2)CC1 ZINC000372274898 466266479 /nfs/dbraw/zinc/26/64/79/466266479.db2.gz SSUFTRJGBWUGPU-UHFFFAOYSA-N 0 3 327.388 2.486 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC[C@@H]1C ZINC000367660601 466476416 /nfs/dbraw/zinc/47/64/16/466476416.db2.gz IXHJCLMWXAQCPY-LBPRGKRZSA-N 0 3 337.376 2.043 10 5 EEBEHN CN(C(=O)CNC(C)(C)CN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000452092834 467319804 /nfs/dbraw/zinc/31/98/04/467319804.db2.gz FFSOAQICTNWEDD-UHFFFAOYSA-N 0 3 334.420 2.022 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000514604684 467943311 /nfs/dbraw/zinc/94/33/11/467943311.db2.gz HIRPRPVRJGHPOI-KRWDZBQOSA-N 0 3 340.383 2.091 10 5 EEBEHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000487547217 468043908 /nfs/dbraw/zinc/04/39/08/468043908.db2.gz FQOFMGPGYTTZMY-BXUZGUMPSA-N 0 3 326.418 2.393 10 5 EEBEHN CN(CC(=O)NC[C@@H]1CCN1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000600473945 468568765 /nfs/dbraw/zinc/56/87/65/468568765.db2.gz VECBRXZMHJNYIT-HNNXBMFYSA-N 0 3 346.431 2.164 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)[C@@]1(O)CCOC1 ZINC000592375561 468684994 /nfs/dbraw/zinc/68/49/94/468684994.db2.gz UFICITDWSYLGFQ-QGZVFWFLSA-N 0 3 338.404 2.261 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597856873 468695207 /nfs/dbraw/zinc/69/52/07/468695207.db2.gz BXXNRCCSGBDPGP-CYBMUJFWSA-N 0 3 335.404 2.353 10 5 EEBEHN CO[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCOC1 ZINC000594950153 468728784 /nfs/dbraw/zinc/72/87/84/468728784.db2.gz JKPAQXJYHFYYMB-IINYFYTJSA-N 0 3 346.330 2.337 10 5 EEBEHN C[C@H]1[C@@H](N2CCCC2)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164220 468766965 /nfs/dbraw/zinc/76/69/65/468766965.db2.gz XEOKTLNYBOSROJ-UWVGGRQHSA-N 0 3 347.341 2.410 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000595381036 468832226 /nfs/dbraw/zinc/83/22/26/468832226.db2.gz HKVPKYAKBMKELH-UHFFFAOYSA-N 0 3 343.449 2.302 10 5 EEBEHN COc1cc(CN2CCC[C@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473049 468865859 /nfs/dbraw/zinc/86/58/59/468865859.db2.gz SWFJVYZLTSZAEY-INIZCTEOSA-N 0 3 349.431 2.290 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)[C@H]2CCCO2)o1 ZINC000598990688 469079140 /nfs/dbraw/zinc/07/91/40/469079140.db2.gz QOCUNUCZEJITGV-NVXWUHKLSA-N 0 3 332.356 2.484 10 5 EEBEHN CN(c1ccccc1)c1ccc(CNC[C@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464359 469615988 /nfs/dbraw/zinc/61/59/88/469615988.db2.gz ZKQKKFDAMZGFPQ-SFHVURJKSA-N 0 3 345.399 2.196 10 5 EEBEHN Cc1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000730841338 577061907 /nfs/dbraw/zinc/06/19/07/577061907.db2.gz IHKFYFXFOFNXOL-CHWSQXEVSA-N 0 3 334.420 2.478 10 5 EEBEHN CN(C)C1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000752873455 577777359 /nfs/dbraw/zinc/77/73/59/577777359.db2.gz LXTXYRZRXZCSSI-UHFFFAOYSA-N 0 3 330.388 2.219 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928443070 683171333 /nfs/dbraw/zinc/17/13/33/683171333.db2.gz SLWMJPVDBXTHMO-UFBFGSQYSA-N 0 3 329.759 2.139 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC001266745768 1177338028 /nfs/dbraw/zinc/33/80/28/1177338028.db2.gz JCXCIXWGUQRVHF-UHFFFAOYSA-N 0 3 327.384 2.386 10 5 EEBEHN CCc1oncc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001266850412 1177550893 /nfs/dbraw/zinc/55/08/93/1177550893.db2.gz FHAZEAYBOATHNH-UHFFFAOYSA-N 0 3 332.360 2.007 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ocnc1C ZINC001273311674 1198024761 /nfs/dbraw/zinc/02/47/61/1198024761.db2.gz JFCMORICSIIUHW-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN Cc1ccc(I)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108640 1201120684 /nfs/dbraw/zinc/12/06/84/1201120684.db2.gz JCQIEPIVTZTUJR-MRVPVSSYSA-N 0 3 349.124 2.422 10 5 EEBEHN Cc1[nH]nc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])c1C ZINC001275922490 1205589207 /nfs/dbraw/zinc/58/92/07/1205589207.db2.gz VNIQJTIRHCJKKB-UHFFFAOYSA-N 0 3 345.403 2.187 10 5 EEBEHN O=[N+]([O-])c1ccc(CN2CCN(CCCCCO)CC2)cc1F ZINC000931497140 1207397206 /nfs/dbraw/zinc/39/72/06/1207397206.db2.gz NXOSFAFQXDHFGT-UHFFFAOYSA-N 0 3 325.384 2.014 10 5 EEBEHN CCC(=O)c1ccc(N2CCC(N3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853964784 1292559724 /nfs/dbraw/zinc/55/97/24/1292559724.db2.gz AOGIBURGAMETHI-HNNXBMFYSA-N 0 3 347.415 2.223 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC001559287805 1342500101 /nfs/dbraw/zinc/50/01/01/1342500101.db2.gz DZILXUZSFFGOHT-ZDUSSCGKSA-N 0 3 336.348 2.168 10 5 EEBEHN CN1CCCC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001643274301 1352744940 /nfs/dbraw/zinc/74/49/40/1352744940.db2.gz BJMICBSGNJCUJX-LBPRGKRZSA-N 0 3 345.359 2.369 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccnn1C ZINC001644227623 1352760235 /nfs/dbraw/zinc/76/02/35/1352760235.db2.gz FUVUKPAAXKBYLB-LBPRGKRZSA-N 0 3 331.376 2.316 10 5 EEBEHN C[C@H](Cc1ccccc1F)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000188020461 236387627 /nfs/dbraw/zinc/38/76/27/236387627.db2.gz QFYWIDAQDKVTIT-OCBCSQNSSA-N 0 3 348.374 2.349 10 5 EEBEHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451343710 283375864 /nfs/dbraw/zinc/37/58/64/283375864.db2.gz OVXLSFYVSAFFSI-BFYDXBDKSA-N 0 3 347.415 2.209 10 5 EEBEHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451238153 243044419 /nfs/dbraw/zinc/04/44/19/243044419.db2.gz CRUAHGZLYFAULC-QMTHXVAHSA-N 0 3 337.376 2.088 10 5 EEBEHN CCc1nc(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190690368 152217601 /nfs/dbraw/zinc/21/76/01/152217601.db2.gz VAJYFNFDXHNDAL-OAHLLOKOSA-N 0 3 345.403 2.188 10 5 EEBEHN CCc1n[nH]c(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190690368 152217605 /nfs/dbraw/zinc/21/76/05/152217605.db2.gz VAJYFNFDXHNDAL-OAHLLOKOSA-N 0 3 345.403 2.188 10 5 EEBEHN CCc1nnc(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190690368 152217608 /nfs/dbraw/zinc/21/76/08/152217608.db2.gz VAJYFNFDXHNDAL-OAHLLOKOSA-N 0 3 345.403 2.188 10 5 EEBEHN CCOC(=O)c1ccnc(N2C[C@@H]3CCCN3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000246417899 160278052 /nfs/dbraw/zinc/27/80/52/160278052.db2.gz HQQBZDMNDWSYML-STQMWFEESA-N 0 3 348.403 2.230 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(Cc2noc(CC3CCN(C)CC3)n2)c1 ZINC000289130128 275100604 /nfs/dbraw/zinc/10/06/04/275100604.db2.gz RCECDEMNABMYQS-UHFFFAOYSA-N 0 3 346.387 2.462 10 5 EEBEHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000565877777 319222757 /nfs/dbraw/zinc/22/27/57/319222757.db2.gz HUCOMOBPFQALDN-UHFFFAOYSA-N 0 3 348.334 2.322 10 5 EEBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154955222 462828021 /nfs/dbraw/zinc/82/80/21/462828021.db2.gz ACLRCYWZDPAQOW-CHWSQXEVSA-N 0 3 340.383 2.452 10 5 EEBEHN COc1cc(CN[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000077423137 462983117 /nfs/dbraw/zinc/98/31/17/462983117.db2.gz GPZYNPJHMYUCEW-IUCAKERBSA-N 0 3 334.319 2.311 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000054462392 463237764 /nfs/dbraw/zinc/23/77/64/463237764.db2.gz PLNURIQGEBBJRZ-HNNXBMFYSA-N 0 3 342.399 2.201 10 5 EEBEHN COc1ccc(NC(=O)CCN(C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000170687734 463696116 /nfs/dbraw/zinc/69/61/16/463696116.db2.gz OFKIUQGAZUJUEP-ZDUSSCGKSA-N 0 3 337.376 2.043 10 5 EEBEHN COc1cc(N2C[C@@H](N(C)C)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000271617093 464344220 /nfs/dbraw/zinc/34/42/20/464344220.db2.gz LDDQLPJUOQZABG-OCCSQVGLSA-N 0 3 329.397 2.224 10 5 EEBEHN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCN(C2CC2)C1 ZINC000348197612 465484746 /nfs/dbraw/zinc/48/47/46/465484746.db2.gz LLJKRSZCJIJGFI-HNNXBMFYSA-N 0 3 343.387 2.313 10 5 EEBEHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N(C)Cc1ccccc1 ZINC000347286183 466535170 /nfs/dbraw/zinc/53/51/70/466535170.db2.gz HKCZFKNCZISDEY-LBPRGKRZSA-N 0 3 343.387 2.021 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378503416 467324750 /nfs/dbraw/zinc/32/47/50/467324750.db2.gz AQXUPUKXMUNNAE-CRAIPNDOSA-N 0 3 343.383 2.124 10 5 EEBEHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCC1 ZINC000600469374 468565862 /nfs/dbraw/zinc/56/58/62/468565862.db2.gz AJAUJMVIMFLMPQ-HNNXBMFYSA-N 0 3 333.388 2.107 10 5 EEBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594523390 468615085 /nfs/dbraw/zinc/61/50/85/468615085.db2.gz AYRLQWVFTXAZCN-LBPRGKRZSA-N 0 3 348.325 2.404 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)o1 ZINC000594610669 468634916 /nfs/dbraw/zinc/63/49/16/468634916.db2.gz AINAEKLISVIBFQ-UONOGXRCSA-N 0 3 343.383 2.106 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN[C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592178387 468646658 /nfs/dbraw/zinc/64/66/58/468646658.db2.gz ZZUGERFLFAWXFM-KRWDZBQOSA-N 0 3 342.399 2.451 10 5 EEBEHN C[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(=O)[nH]n1 ZINC000558164253 468667338 /nfs/dbraw/zinc/66/73/38/468667338.db2.gz AHPNCSGEUCQHSU-JTQLQIEISA-N 0 3 327.344 2.465 10 5 EEBEHN C[C@H]1CN(C)CC[C@@H]1N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601125802 468751715 /nfs/dbraw/zinc/75/17/15/468751715.db2.gz JXEOQGHPHZREGA-IUCAKERBSA-N 0 3 335.330 2.124 10 5 EEBEHN CO[C@@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCC1 ZINC000595286600 468800241 /nfs/dbraw/zinc/80/02/41/468800241.db2.gz IMSZKBDEFNUFOL-INIZCTEOSA-N 0 3 334.420 2.317 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2ccccn2)C1 ZINC000595502775 468879628 /nfs/dbraw/zinc/87/96/28/468879628.db2.gz VXEWSBFCUJSJRK-AWEZNQCLSA-N 0 3 328.372 2.031 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N[C@@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595781118 469006515 /nfs/dbraw/zinc/00/65/15/469006515.db2.gz KHEPOYNERRSZAF-NILFDRSVSA-N 0 3 333.388 2.123 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)[C@H]3CCCO3)o2)cc1 ZINC000598989778 469079241 /nfs/dbraw/zinc/07/92/41/469079241.db2.gz AAQNHMHNDNDHFT-DOTOQJQBSA-N 0 3 332.356 2.484 10 5 EEBEHN COc1ccc(CN[C@@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593694651 469097759 /nfs/dbraw/zinc/09/77/59/469097759.db2.gz PGSZDYBDAHTWCS-CQSZACIVSA-N 0 3 343.383 2.469 10 5 EEBEHN CN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829532 469385812 /nfs/dbraw/zinc/38/58/12/469385812.db2.gz HJWWXGDFUUSFDZ-LLVKDONJSA-N 0 3 329.360 2.359 10 5 EEBEHN COCCOc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731679108 577116000 /nfs/dbraw/zinc/11/60/00/577116000.db2.gz WFQVSHPOSQKLPU-GOSISDBHSA-N 0 3 346.383 2.443 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccco1 ZINC001266629619 1177025081 /nfs/dbraw/zinc/02/50/81/1177025081.db2.gz LRIXBSKRXOVDNU-CMDGGOBGSA-N 0 3 329.356 2.449 10 5 EEBEHN Cc1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001267378717 1178924934 /nfs/dbraw/zinc/92/49/34/1178924934.db2.gz FQMZHDMPLHFOFX-UHFFFAOYSA-N 0 3 342.399 2.468 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C)n1C ZINC001268434382 1182608275 /nfs/dbraw/zinc/60/82/75/1182608275.db2.gz CJPSOGSXIQVSNY-UHFFFAOYSA-N 0 3 344.415 2.494 10 5 EEBEHN CCn1cccc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001268625358 1183548844 /nfs/dbraw/zinc/54/88/44/1183548844.db2.gz NVUAOVQODWWICI-ARJAWSKDSA-N 0 3 342.399 2.492 10 5 EEBEHN O=C(CN[C@]12CCC[C@H]1OCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000872312534 1198141075 /nfs/dbraw/zinc/14/10/75/1198141075.db2.gz AMONWKHHTSIWCU-HIFRSBDPSA-N 0 3 339.779 2.488 10 5 EEBEHN CCCc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103753 1201096924 /nfs/dbraw/zinc/09/69/24/1201096924.db2.gz SJCCIBCMPBJHHI-OCCSQVGLSA-N 0 3 334.372 2.200 10 5 EEBEHN CC(COC(=O)[C@H](C)Oc1ccccc1Br)[N+](=O)[O-] ZINC000813106883 1201115891 /nfs/dbraw/zinc/11/58/91/1201115891.db2.gz JBAWBXPVSFJPPH-IUCAKERBSA-N 0 3 332.150 2.425 10 5 EEBEHN CC1(C)CCNCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000866804384 1201609733 /nfs/dbraw/zinc/60/97/33/1201609733.db2.gz HMAGLHGOYRJPNW-UHFFFAOYSA-N 0 3 347.824 2.011 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000931261599 1206619951 /nfs/dbraw/zinc/61/99/51/1206619951.db2.gz CJPWAIYIALNLBH-FZMZJTMJSA-N 0 3 334.376 2.161 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCN1C ZINC000719385285 1213144731 /nfs/dbraw/zinc/14/47/31/1213144731.db2.gz NMDGFDYILCRFNZ-WPRPVWTQSA-N 0 3 342.193 2.180 10 5 EEBEHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855166916 1293098680 /nfs/dbraw/zinc/09/86/80/1293098680.db2.gz SMERBBWGMPBYHJ-CYBMUJFWSA-N 0 3 334.420 2.263 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1cscn1 ZINC001280471508 1324242624 /nfs/dbraw/zinc/24/26/24/1324242624.db2.gz VBYVMDKWVDWHJZ-UHFFFAOYSA-N 0 3 346.412 2.494 10 5 EEBEHN CN(C)Cc1ccccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298489716 1330091058 /nfs/dbraw/zinc/09/10/58/1330091058.db2.gz IXPIZXSALWSJSK-INIZCTEOSA-N 0 3 329.356 2.329 10 5 EEBEHN COc1ccc(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC001331675705 1335056458 /nfs/dbraw/zinc/05/64/58/1335056458.db2.gz JRYQHWJRLSZENV-UHFFFAOYSA-N 0 3 345.355 2.102 10 5 EEBEHN CCc1oncc1C(=O)N(CC)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001668569839 1355964526 /nfs/dbraw/zinc/96/45/26/1355964526.db2.gz HPAJZJSZQZRXMY-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN CN(CCOCCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C ZINC001677515510 1357342967 /nfs/dbraw/zinc/34/29/67/1357342967.db2.gz SMLVRZDBWJFDOC-UHFFFAOYSA-N 0 3 337.420 2.206 10 5 EEBEHN CC([C@H](OC(=O)c1cn(CC2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883747 789974104 /nfs/dbraw/zinc/97/41/04/789974104.db2.gz VRFYRIRMPKMLMO-BMIGLBTASA-N 0 3 348.334 2.391 10 5 EEBEHN CCN1CCN(c2ccc(Nc3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC001184580570 802081335 /nfs/dbraw/zinc/08/13/35/802081335.db2.gz SBMSYKFVFLKWPJ-UHFFFAOYSA-N 0 3 330.392 2.214 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094120870 159242741 /nfs/dbraw/zinc/24/27/41/159242741.db2.gz WXRGVUQOAAWKNK-HNNXBMFYSA-N 0 3 349.431 2.361 10 5 EEBEHN O=[N+]([O-])c1cn(C[C@H](O)CN2CCc3ccccc3C2)nc1C1CC1 ZINC000352439524 162135985 /nfs/dbraw/zinc/13/59/85/162135985.db2.gz WSVWXYCAZHJMOP-MRXNPFEDSA-N 0 3 342.399 2.088 10 5 EEBEHN CN1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408039670 277154104 /nfs/dbraw/zinc/15/41/04/277154104.db2.gz XDJCSRFKVLCTNX-CABCVRRESA-N 0 3 325.796 2.153 10 5 EEBEHN CCOc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425043087 314327673 /nfs/dbraw/zinc/32/76/73/314327673.db2.gz FJQJLEHUAGUQTH-DZGCQCFKSA-N 0 3 333.388 2.160 10 5 EEBEHN CCN1CC[C@H]2OCCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000574935456 320072394 /nfs/dbraw/zinc/07/23/94/320072394.db2.gz GYHWEEJJPIQWLA-XOKHGSTOSA-N 0 3 347.415 2.020 10 5 EEBEHN CN1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000351169078 465086962 /nfs/dbraw/zinc/08/69/62/465086962.db2.gz XLRJUCGXUIVHNS-JTQLQIEISA-N 0 3 329.360 2.422 10 5 EEBEHN O=[N+]([O-])c1cc(Cl)cnc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000089603139 462697808 /nfs/dbraw/zinc/69/78/08/462697808.db2.gz GWFSGGMUCMRXFC-GFCCVEGCSA-N 0 3 326.784 2.308 10 5 EEBEHN CN1CCN([C@@H]2CCCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174901094 464466591 /nfs/dbraw/zinc/46/65/91/464466591.db2.gz FTNMRQGPOPAGKA-QGZVFWFLSA-N 0 3 332.448 2.197 10 5 EEBEHN COC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182409187 464648758 /nfs/dbraw/zinc/64/87/58/464648758.db2.gz HSFQDYGYMLGQQY-CVEARBPZSA-N 0 3 346.383 2.312 10 5 EEBEHN CCOc1ccc(NC(=O)CN[C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183200588 464820941 /nfs/dbraw/zinc/82/09/41/464820941.db2.gz FHDNHSHAYGCBCT-ABAIWWIYSA-N 0 3 337.376 2.089 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000249564528 464892041 /nfs/dbraw/zinc/89/20/41/464892041.db2.gz MRVKQHTYIZKBOE-BHYGNILZSA-N 0 3 348.424 2.398 10 5 EEBEHN C[C@H]1CCN(Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000362870725 466086990 /nfs/dbraw/zinc/08/69/90/466086990.db2.gz HHQFKDTZPHSTGJ-INIZCTEOSA-N 0 3 343.431 2.388 10 5 EEBEHN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594045670 468471492 /nfs/dbraw/zinc/47/14/92/468471492.db2.gz XOFSMEUJIRZLAT-HOTGVXAUSA-N 0 3 335.404 2.495 10 5 EEBEHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000347013962 466320348 /nfs/dbraw/zinc/32/03/48/466320348.db2.gz QBJLKKLETJILAE-OAHLLOKOSA-N 0 3 344.415 2.478 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000341055017 466544642 /nfs/dbraw/zinc/54/46/42/466544642.db2.gz HKEJSFRMVADNDI-PHIMTYICSA-N 0 3 338.383 2.309 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000378503419 467323784 /nfs/dbraw/zinc/32/37/84/467323784.db2.gz AQXUPUKXMUNNAE-YJBOKZPZSA-N 0 3 343.383 2.124 10 5 EEBEHN O=C1C[C@@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000414214510 467391263 /nfs/dbraw/zinc/39/12/63/467391263.db2.gz ZDEBFFSDCQZZEE-ACJLOTCBSA-N 0 3 325.368 2.410 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCc2ccsc2)cc1 ZINC000517359119 468082223 /nfs/dbraw/zinc/08/22/23/468082223.db2.gz ZZBMFNZLKQGRET-UHFFFAOYSA-N 0 3 340.426 2.262 10 5 EEBEHN CC(C)(NC(=O)N[C@H](CN)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594524659 468616253 /nfs/dbraw/zinc/61/62/53/468616253.db2.gz LHTSEPKRRJZSNM-SNVBAGLBSA-N 0 3 334.298 2.019 10 5 EEBEHN CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(C)C1 ZINC000597946015 468721255 /nfs/dbraw/zinc/72/12/55/468721255.db2.gz MXTCFCHXNFPGAH-AWEZNQCLSA-N 0 3 330.388 2.171 10 5 EEBEHN Cn1cc(CN[C@H]2C[C@@H](O)C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988239 468738722 /nfs/dbraw/zinc/73/87/22/468738722.db2.gz ODLRTYIZJMNBND-JKSUJKDBSA-N 0 3 342.399 2.388 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)[C@]1(O)CCOC1 ZINC000595046310 468748248 /nfs/dbraw/zinc/74/82/48/468748248.db2.gz PCBGUUVYSWFSNR-PXAZEXFGSA-N 0 3 338.404 2.432 10 5 EEBEHN Cc1ccc(NCCCNC(=O)C2(N)CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000595248400 468792618 /nfs/dbraw/zinc/79/26/18/468792618.db2.gz GBZWGRVTESBBMW-UHFFFAOYSA-N 0 3 346.431 2.483 10 5 EEBEHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601359614 468839008 /nfs/dbraw/zinc/83/90/08/468839008.db2.gz JJNNKTGLMZJUCP-NSHDSACASA-N 0 3 347.462 2.070 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)[C@@H]3CCCO3)o2)cc1 ZINC000598989780 469079511 /nfs/dbraw/zinc/07/95/11/469079511.db2.gz AAQNHMHNDNDHFT-RDJZCZTQSA-N 0 3 332.356 2.484 10 5 EEBEHN O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CCN3C3CCCC3)c2c1 ZINC000599166576 469146643 /nfs/dbraw/zinc/14/66/43/469146643.db2.gz YFBSETJAUVDTQS-CQSZACIVSA-N 0 3 327.388 2.967 10 5 EEBEHN CCOC(=O)c1ccnc(N[C@@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000129723194 528273544 /nfs/dbraw/zinc/27/35/44/528273544.db2.gz WWXIZAOWHDUULI-WCQYABFASA-N 0 3 336.392 2.307 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000771258584 577612639 /nfs/dbraw/zinc/61/26/39/577612639.db2.gz WYYYRVOLJHCQLR-STQMWFEESA-N 0 3 329.397 2.224 10 5 EEBEHN Cc1ccc(CNCCN2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000895340736 684515771 /nfs/dbraw/zinc/51/57/71/684515771.db2.gz BKHCJOBBMCCYRX-OAHLLOKOSA-N 0 3 332.404 2.283 10 5 EEBEHN CCc1nc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001267442384 1179018073 /nfs/dbraw/zinc/01/80/73/1179018073.db2.gz XSCKQISXBHCWFU-UHFFFAOYSA-N 0 3 346.387 2.315 10 5 EEBEHN Cc1cc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)cnn1 ZINC001268788987 1183704139 /nfs/dbraw/zinc/70/41/39/1183704139.db2.gz FVAHLMSEHNLXTD-UHFFFAOYSA-N 0 3 349.416 2.007 10 5 EEBEHN CC/C(C)=C\C(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001269986183 1184764853 /nfs/dbraw/zinc/76/48/53/1184764853.db2.gz VKKACOYUYOOOMX-NSCCEZDJSA-N 0 3 349.435 2.202 10 5 EEBEHN CC(C)c1ccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869778875 1200272527 /nfs/dbraw/zinc/27/25/27/1200272527.db2.gz PWXIIRXUXIKCJH-AWEZNQCLSA-N 0 3 349.431 2.293 10 5 EEBEHN O=C(CNC1([C@@H]2CCCO2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001656524453 1354244672 /nfs/dbraw/zinc/24/46/72/1354244672.db2.gz WWCHIHBJMRURFW-INIZCTEOSA-N 0 3 345.399 2.175 10 5 EEBEHN CCN(CCCNC(=O)c1cnco1)Cc1cccc([N+](=O)[O-])c1 ZINC001660566864 1354491167 /nfs/dbraw/zinc/49/11/67/1354491167.db2.gz ICYWYBOBOFNRKG-UHFFFAOYSA-N 0 3 332.360 2.225 10 5 EEBEHN C[C@@]1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CN2CCC1CC2 ZINC000912376686 788149208 /nfs/dbraw/zinc/14/92/08/788149208.db2.gz JZNRBAGSJOVGAY-QGZVFWFLSA-N 0 3 328.372 2.290 10 5 EEBEHN CCC(C)(C)N1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001469658678 1110494551 /nfs/dbraw/zinc/49/45/51/1110494551.db2.gz OFMQEXZZXICGDD-UHFFFAOYSA-N 0 3 348.447 2.364 10 5 EEBEHN CC([C@@H](OC(=O)c1cn(C)ccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC001526032680 1120404939 /nfs/dbraw/zinc/40/49/39/1120404939.db2.gz WEDKDHZZDSIFNY-MEBBXXQBSA-N 0 3 334.303 2.088 10 5 EEBEHN CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC001545090625 1124178743 /nfs/dbraw/zinc/17/87/43/1124178743.db2.gz JUBSXVGMVNJMKO-GFCCVEGCSA-N 0 3 325.796 2.343 10 5 EEBEHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@H](CC)CN1CC(C)(C)O ZINC000225813437 242048727 /nfs/dbraw/zinc/04/87/27/242048727.db2.gz OQAMNCASRFQGEC-ZIAGYGMSSA-N 0 3 336.436 2.440 10 5 EEBEHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271335393 256234619 /nfs/dbraw/zinc/23/46/19/256234619.db2.gz BRTFDUCRRJFBST-UHFFFAOYSA-N 0 3 343.387 2.485 10 5 EEBEHN COc1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000249950912 160386746 /nfs/dbraw/zinc/38/67/46/160386746.db2.gz HMPWVHBBZQLXDV-BXUZGUMPSA-N 0 3 333.388 2.221 10 5 EEBEHN CCCN(CCN(CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000186170262 160060851 /nfs/dbraw/zinc/06/08/51/160060851.db2.gz IRSDYBSNNQEXHY-UHFFFAOYSA-N 0 3 349.478 2.399 10 5 EEBEHN Cc1cnn([C@H]2CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000246372462 160275907 /nfs/dbraw/zinc/27/59/07/160275907.db2.gz YSKWBKAVJUSNQE-DLBZAZTESA-N 0 3 330.388 2.470 10 5 EEBEHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000122971278 222193517 /nfs/dbraw/zinc/19/35/17/222193517.db2.gz WDDCCAMVCMAYDL-CQSZACIVSA-N 0 3 343.387 2.102 10 5 EEBEHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H](O)CN1CCCCC1 ZINC000291598922 275321516 /nfs/dbraw/zinc/32/15/16/275321516.db2.gz IHYHADYPSJXNBZ-CYBMUJFWSA-N 0 3 330.388 2.402 10 5 EEBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262254674 289765105 /nfs/dbraw/zinc/76/51/05/289765105.db2.gz QMOHYJOFWOZSDB-QIIPPGSGSA-N 0 3 347.415 2.086 10 5 EEBEHN O=[N+]([O-])c1cnc(N2CC[C@H](OCCN3CCCCC3)C2)s1 ZINC000337029452 465155105 /nfs/dbraw/zinc/15/51/05/465155105.db2.gz XJHLWPDWQDDMCW-LBPRGKRZSA-N 0 3 326.422 2.133 10 5 EEBEHN Cc1sc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000104531884 463416032 /nfs/dbraw/zinc/41/60/32/463416032.db2.gz MAKBYXPNNBWXHS-LBPRGKRZSA-N 0 3 341.433 2.148 10 5 EEBEHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnccc1N1CCCCC1 ZINC000072281695 463496313 /nfs/dbraw/zinc/49/63/13/463496313.db2.gz WXUCYFFTLRYGAL-UHFFFAOYSA-N 0 3 344.375 2.124 10 5 EEBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000190447715 464647174 /nfs/dbraw/zinc/64/71/74/464647174.db2.gz HQILCSCCMVJGNV-HNNXBMFYSA-N 0 3 327.388 2.343 10 5 EEBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541783 464944605 /nfs/dbraw/zinc/94/46/05/464944605.db2.gz SMDRJAVOPXIQLN-CYBMUJFWSA-N 0 3 333.417 2.405 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268219161 464978854 /nfs/dbraw/zinc/97/88/54/464978854.db2.gz WKRINZLQCRJFRF-CYBMUJFWSA-N 0 3 325.796 2.343 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000298937776 465546281 /nfs/dbraw/zinc/54/62/81/465546281.db2.gz IDRVWJVZSDJUIU-MRXNPFEDSA-N 0 3 327.384 2.498 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301482034 465970841 /nfs/dbraw/zinc/97/08/41/465970841.db2.gz SSHXMSUWWORMRV-LLVKDONJSA-N 0 3 331.376 2.164 10 5 EEBEHN Cc1c(CN2CCC[C@@H](c3ccnc(N)n3)C2)cccc1[N+](=O)[O-] ZINC000377097102 467025784 /nfs/dbraw/zinc/02/57/84/467025784.db2.gz JKSWNNHINDTQAH-CQSZACIVSA-N 0 3 327.388 2.655 10 5 EEBEHN CCc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590399910 468247282 /nfs/dbraw/zinc/24/72/82/468247282.db2.gz FDHRCRLSCCODFQ-NVXWUHKLSA-N 0 3 347.415 2.092 10 5 EEBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590443728 468258427 /nfs/dbraw/zinc/25/84/27/468258427.db2.gz GMIXLPDOCFSOMC-BFYDXBDKSA-N 0 3 331.416 2.326 10 5 EEBEHN CC(C)Cc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600742167 468644742 /nfs/dbraw/zinc/64/47/42/468644742.db2.gz BABRDWAXWXNEQQ-QGZVFWFLSA-N 0 3 332.404 2.141 10 5 EEBEHN CN(C)CCn1cc(Nc2ncnc3sc([N+](=O)[O-])cc32)cn1 ZINC000587593967 469091076 /nfs/dbraw/zinc/09/10/76/469091076.db2.gz WTLYLBABZJAAAG-UHFFFAOYSA-N 0 3 333.377 2.101 10 5 EEBEHN Cn1nccc1[C@H](CO)N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599057194 469102754 /nfs/dbraw/zinc/10/27/54/469102754.db2.gz XZMMYXWNMATIPC-BPUTZDHNSA-N 0 3 344.415 2.363 10 5 EEBEHN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000599062432 469104074 /nfs/dbraw/zinc/10/40/74/469104074.db2.gz PXBOUCQEJPWQBY-CQSZACIVSA-N 0 3 342.399 2.302 10 5 EEBEHN CO[C@@]1(CNCc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000162223787 679471743 /nfs/dbraw/zinc/47/17/43/679471743.db2.gz SDOWMWVEFSXLAI-CYBMUJFWSA-N 0 3 345.193 2.252 10 5 EEBEHN Cn1cccc1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001273047128 1194350984 /nfs/dbraw/zinc/35/09/84/1194350984.db2.gz BTBHQEMVWRBMQW-UHFFFAOYSA-N 0 3 342.399 2.376 10 5 EEBEHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105509 1201094303 /nfs/dbraw/zinc/09/43/03/1201094303.db2.gz NPKYBTBLABGCJB-JGVFFNPUSA-N 0 3 337.298 2.374 10 5 EEBEHN CC(COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813113793 1201124779 /nfs/dbraw/zinc/12/47/79/1201124779.db2.gz JBLCNCXHCNNNEU-LLVKDONJSA-N 0 3 337.328 2.019 10 5 EEBEHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(C2CCC2)C1=O ZINC000866397136 1201507349 /nfs/dbraw/zinc/50/73/49/1201507349.db2.gz CXZDBZICZXAZNH-NHYWBVRUSA-N 0 3 335.379 2.408 10 5 EEBEHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000861345155 1295349948 /nfs/dbraw/zinc/34/99/48/1295349948.db2.gz ZLSBKKPSGAASKX-YVEFUNNKSA-N 0 3 347.371 2.342 10 5 EEBEHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000861347886 1295352766 /nfs/dbraw/zinc/35/27/66/1295352766.db2.gz BAHFUTKTJGIHRI-DOTOQJQBSA-N 0 3 336.388 2.180 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC001293251696 1328646591 /nfs/dbraw/zinc/64/65/91/1328646591.db2.gz DNWBKMRCKPQVMN-ZDUSSCGKSA-N 0 3 333.388 2.208 10 5 EEBEHN COC(=O)C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001620613380 1352360782 /nfs/dbraw/zinc/36/07/82/1352360782.db2.gz DZLSQYSHQMGGSM-CYBMUJFWSA-N 0 3 337.376 2.101 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ncncc2C1 ZINC001659925071 1354389736 /nfs/dbraw/zinc/38/97/36/1354389736.db2.gz FJYADZIHPSCOCW-UHFFFAOYSA-N 0 3 341.371 2.080 10 5 EEBEHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911473420 787466462 /nfs/dbraw/zinc/46/64/62/787466462.db2.gz CFDWFZSHDYVLQD-UWVGGRQHSA-N 0 3 327.331 2.362 10 5 EEBEHN COC(=O)c1cnc(CCNCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000922837617 802009877 /nfs/dbraw/zinc/00/98/77/802009877.db2.gz BZLKXWAOEAHSTM-UHFFFAOYSA-N 0 3 335.385 2.479 10 5 EEBEHN CN1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790565870 808804190 /nfs/dbraw/zinc/80/41/90/808804190.db2.gz VIWODRJDBWETIC-JTQLQIEISA-N 0 3 329.759 2.140 10 5 EEBEHN C[C@H](C(=O)OC[C@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001526620139 1120554674 /nfs/dbraw/zinc/55/46/74/1120554674.db2.gz GWJSTCGVKYVLMS-SUMWQHHRSA-N 0 3 348.399 2.495 10 5 EEBEHN N[C@@H](CC1CCCCC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423829737 240654152 /nfs/dbraw/zinc/65/41/52/240654152.db2.gz SOMOFJORXNLGDG-HNNXBMFYSA-N 0 3 332.404 2.172 10 5 EEBEHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000456699190 244330878 /nfs/dbraw/zinc/33/08/78/244330878.db2.gz DWKCPGLHAUYULO-UHFFFAOYSA-N 0 3 337.424 2.291 10 5 EEBEHN Cc1ccc(OCC(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000131787032 292393275 /nfs/dbraw/zinc/39/32/75/292393275.db2.gz NGFLEOTYDPRYMU-UHFFFAOYSA-N 0 3 333.388 2.025 10 5 EEBEHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000188853192 160131010 /nfs/dbraw/zinc/13/10/10/160131010.db2.gz AXDPOYZEWQTYCI-UHFFFAOYSA-N 0 3 332.404 2.094 10 5 EEBEHN O=C(CCN1CCC[C@@H]2COCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337248570 160617968 /nfs/dbraw/zinc/61/79/68/160617968.db2.gz KYRILDNOFLIUFG-UKRRQHHQSA-N 0 3 333.388 2.424 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000346715468 161395540 /nfs/dbraw/zinc/39/55/40/161395540.db2.gz AOVIQBVVTROKSR-HNNXBMFYSA-N 0 3 335.404 2.086 10 5 EEBEHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCN(C2CC2)C1 ZINC000349349086 161553813 /nfs/dbraw/zinc/55/38/13/161553813.db2.gz QUVNXEUDCDTOKP-HNNXBMFYSA-N 0 3 343.387 2.313 10 5 EEBEHN COC(=O)c1cc(NC(=O)CC2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000291965252 275358612 /nfs/dbraw/zinc/35/86/12/275358612.db2.gz PKDRCCDBADYDGZ-UHFFFAOYSA-N 0 3 335.360 2.052 10 5 EEBEHN C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000292003513 275362888 /nfs/dbraw/zinc/36/28/88/275362888.db2.gz RMCQLEBMZUQJFV-ZDUSSCGKSA-N 0 3 344.415 2.424 10 5 EEBEHN CC[C@H](CO)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301474434 294859912 /nfs/dbraw/zinc/85/99/12/294859912.db2.gz RPNAMHFUWFSXMX-CYBMUJFWSA-N 0 3 330.388 2.036 10 5 EEBEHN O=C(NC1CC(N2CCCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000526028700 317108454 /nfs/dbraw/zinc/10/84/54/317108454.db2.gz WUVRUWNHTGEOPX-UHFFFAOYSA-N 0 3 347.371 2.070 10 5 EEBEHN C[C@@H]1CCN(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542892937 318146929 /nfs/dbraw/zinc/14/69/29/318146929.db2.gz GOAVAPVPBGIJGJ-SNVBAGLBSA-N 0 3 343.330 2.268 10 5 EEBEHN CN1CCC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574480042 320028937 /nfs/dbraw/zinc/02/89/37/320028937.db2.gz GGCPSUURAJDIIC-CQSZACIVSA-N 0 3 345.403 2.012 10 5 EEBEHN C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1[C@H](C)CC[C@@H]1C ZINC000157337407 463120688 /nfs/dbraw/zinc/12/06/88/463120688.db2.gz HPYVHUPFHYUGES-XQQFMLRXSA-N 0 3 332.404 2.136 10 5 EEBEHN COCCN1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000278813664 463991314 /nfs/dbraw/zinc/99/13/14/463991314.db2.gz SSEKWPOLXACBGJ-CYBMUJFWSA-N 0 3 347.337 2.424 10 5 EEBEHN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000183201240 464820961 /nfs/dbraw/zinc/82/09/61/464820961.db2.gz KKFQBIASMVPOCI-NOZJJQNGSA-N 0 3 327.768 2.344 10 5 EEBEHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCOCC1 ZINC000177254610 464970407 /nfs/dbraw/zinc/97/04/07/464970407.db2.gz QJMBBUIDVIOATM-QAPCUYQASA-N 0 3 349.431 2.016 10 5 EEBEHN C[C@@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000331111934 465938640 /nfs/dbraw/zinc/93/86/40/465938640.db2.gz ISUMFUKIWAMERR-ZJUUUORDSA-N 0 3 327.331 2.014 10 5 EEBEHN CCN1CCN([C@@H](C)CNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301515897 465975125 /nfs/dbraw/zinc/97/51/25/465975125.db2.gz JVNMMGUZTKRZBQ-LBPRGKRZSA-N 0 3 340.399 2.180 10 5 EEBEHN CC(C)[C@@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353670628 466052904 /nfs/dbraw/zinc/05/29/04/466052904.db2.gz MKHLYTTUJJRAPU-GJZGRUSLSA-N 0 3 326.418 2.393 10 5 EEBEHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600146012 468474604 /nfs/dbraw/zinc/47/46/04/468474604.db2.gz TYPHNIGHHVGPKE-SNVBAGLBSA-N 0 3 348.371 2.392 10 5 EEBEHN COc1ccc(OCCN2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055035 466098436 /nfs/dbraw/zinc/09/84/36/466098436.db2.gz MXNOAUZJRKYKSG-KRWDZBQOSA-N 0 3 336.388 2.485 10 5 EEBEHN CCOC(=O)C[C@@H]1C[C@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000372284356 466276449 /nfs/dbraw/zinc/27/64/49/466276449.db2.gz ZBZMVYXIFLVXOZ-HOTGVXAUSA-N 0 3 336.388 2.180 10 5 EEBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000353978792 466296571 /nfs/dbraw/zinc/29/65/71/466296571.db2.gz NSAFJBVUXWWDLF-STQMWFEESA-N 0 3 340.445 2.471 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000376159888 466895521 /nfs/dbraw/zinc/89/55/21/466895521.db2.gz ZXXVMZWLKPUMHL-ZDUSSCGKSA-N 0 3 348.403 2.149 10 5 EEBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590443729 468258385 /nfs/dbraw/zinc/25/83/85/468258385.db2.gz GMIXLPDOCFSOMC-HLLBOEOZSA-N 0 3 331.416 2.326 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000590444367 468258799 /nfs/dbraw/zinc/25/87/99/468258799.db2.gz LBZZUUIRFMQIAJ-ABAIWWIYSA-N 0 3 335.379 2.174 10 5 EEBEHN COc1ccc(CC(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474048 468568733 /nfs/dbraw/zinc/56/87/33/468568733.db2.gz WMCIXWHFXUCLHE-HNNXBMFYSA-N 0 3 347.415 2.279 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000600744142 468646047 /nfs/dbraw/zinc/64/60/47/468646047.db2.gz KVQCNDWIRQQWOT-HZSPNIEDSA-N 0 3 338.429 2.394 10 5 EEBEHN O=[N+]([O-])c1ccc2nccc(NCCCCN3CCOCC3)c2c1 ZINC000601104947 468742452 /nfs/dbraw/zinc/74/24/52/468742452.db2.gz NTCRZMFQBPIPBG-UHFFFAOYSA-N 0 3 330.388 2.089 10 5 EEBEHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598042721 468747194 /nfs/dbraw/zinc/74/71/94/468747194.db2.gz XFXZOLXNYOKUHR-AWEZNQCLSA-N 0 3 335.404 2.468 10 5 EEBEHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCC1 ZINC000598967773 469071283 /nfs/dbraw/zinc/07/12/83/469071283.db2.gz VEQRDPQSLDCBKL-INIZCTEOSA-N 0 3 332.404 2.411 10 5 EEBEHN C[C@H](O)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066336 469137191 /nfs/dbraw/zinc/13/71/91/469137191.db2.gz CTRWEMOARWUJGJ-JOQOYGCGSA-N 0 3 346.383 2.046 10 5 EEBEHN Cc1cc(N(C)CC2CN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596454860 469272279 /nfs/dbraw/zinc/27/22/79/469272279.db2.gz VCGRBFNXXZZLJV-UHFFFAOYSA-N 0 3 327.388 2.358 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000175167983 529070750 /nfs/dbraw/zinc/07/07/50/529070750.db2.gz AJNSYQRQMUWPKA-CYBMUJFWSA-N 0 3 332.404 2.400 10 5 EEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182248158 529304663 /nfs/dbraw/zinc/30/46/63/529304663.db2.gz IYGUHCJRHUMMBJ-QWHCGFSZSA-N 0 3 347.371 2.022 10 5 EEBEHN O=C1C[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])CCCN1 ZINC000895611486 684662740 /nfs/dbraw/zinc/66/27/40/684662740.db2.gz WMZUBHRRZMLOFB-LLVKDONJSA-N 0 3 342.193 2.116 10 5 EEBEHN C[C@H]1[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000925322417 692043688 /nfs/dbraw/zinc/04/36/88/692043688.db2.gz XKWISOGMVUHIFR-WCBMZHEXSA-N 0 3 344.318 2.410 10 5 EEBEHN COC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000873545427 1198637495 /nfs/dbraw/zinc/63/74/95/1198637495.db2.gz USBWVMIOAXBFMJ-BBGACYKPSA-N 0 3 339.319 2.274 10 5 EEBEHN CC(COC(=O)c1ccc(I)cc1)[N+](=O)[O-] ZINC000813110786 1201121830 /nfs/dbraw/zinc/12/18/30/1201121830.db2.gz JJLBMHVCIOZOER-SSDOTTSWSA-N 0 3 335.097 2.113 10 5 EEBEHN CC(COC(=O)Cn1c2ccccc2nc1-c1cscn1)[N+](=O)[O-] ZINC000813112171 1201123227 /nfs/dbraw/zinc/12/32/27/1201123227.db2.gz CYBCISJDPXTTIT-SNVBAGLBSA-N 0 3 346.368 2.368 10 5 EEBEHN COCc1cc([N+](=O)[O-])ccc1N(C)CCN1CC2(C1)CCOCC2 ZINC000866257904 1201477393 /nfs/dbraw/zinc/47/73/93/1201477393.db2.gz NMSFOSIQFHFPCP-UHFFFAOYSA-N 0 3 349.431 2.290 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000928437151 1206383465 /nfs/dbraw/zinc/38/34/65/1206383465.db2.gz HAAYUPPVTTYTEM-KCJUWKMLSA-N 0 3 331.294 2.436 10 5 EEBEHN COc1cnccc1N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000796568876 1221376291 /nfs/dbraw/zinc/37/62/91/1221376291.db2.gz VPMPDSMGWSLMOW-UHFFFAOYSA-N 0 3 346.362 2.460 10 5 EEBEHN CNC(=O)C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000796610744 1221655895 /nfs/dbraw/zinc/65/58/95/1221655895.db2.gz HAINEKMOLXRZNJ-DLBZAZTESA-N 0 3 343.383 2.095 10 5 EEBEHN C[C@@H](NCCN1C[C@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850560989 1277267578 /nfs/dbraw/zinc/26/75/78/1277267578.db2.gz HEDAMXAUCUFERW-TZMCWYRMSA-N 0 3 347.419 2.118 10 5 EEBEHN Cc1cccc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001273849896 1286783649 /nfs/dbraw/zinc/78/36/49/1286783649.db2.gz BXWXATNBSGCYDR-NSCUHMNNSA-N 0 3 340.383 2.374 10 5 EEBEHN Cc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000863034006 1296089697 /nfs/dbraw/zinc/08/96/97/1296089697.db2.gz FZSCBMWQTFIYNA-CYBMUJFWSA-N 0 3 332.404 2.232 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CNCCC3(F)F)CC2)cc1 ZINC000841079602 1315469823 /nfs/dbraw/zinc/46/98/23/1315469823.db2.gz MBFKYXPTMBKWGH-OAHLLOKOSA-N 0 3 340.374 2.150 10 5 EEBEHN CCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001293328220 1328673126 /nfs/dbraw/zinc/67/31/26/1328673126.db2.gz ORHPDYKDAVQSCC-LLVKDONJSA-N 0 3 340.811 2.435 10 5 EEBEHN CN(CCCN(C)C(=O)c1n[nH]cc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001673466951 1356692959 /nfs/dbraw/zinc/69/29/59/1356692959.db2.gz MCXHFJOQKWMIMN-UHFFFAOYSA-N 0 3 349.366 2.051 10 5 EEBEHN CN1CCC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906585422 783991328 /nfs/dbraw/zinc/99/13/28/783991328.db2.gz SIZYQDVLCJKSHX-GFCCVEGCSA-N 0 3 325.796 2.391 10 5 EEBEHN Cn1nc2c(c1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000819325504 785508217 /nfs/dbraw/zinc/50/82/17/785508217.db2.gz FKSQIXNDSKMFKH-QGZVFWFLSA-N 0 3 330.388 2.030 10 5 EEBEHN Cn1nc2c(c1CNC[C@H](O)c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000819325441 785508236 /nfs/dbraw/zinc/50/82/36/785508236.db2.gz COHCZEKGKDBXJY-KRWDZBQOSA-N 0 3 330.388 2.030 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCC(=O)OC(C)(C)C ZINC001176787739 798563155 /nfs/dbraw/zinc/56/31/55/798563155.db2.gz JXZOSZBMWDPFDX-UHFFFAOYSA-N 0 3 326.397 2.153 10 5 EEBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001473602456 1110577739 /nfs/dbraw/zinc/57/77/39/1110577739.db2.gz RCCQHRXOFJHNCL-WDEREUQCSA-N 0 3 330.344 2.347 10 5 EEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079757606 217252552 /nfs/dbraw/zinc/25/25/52/217252552.db2.gz CEUBGUWHVAAGCX-AWEZNQCLSA-N 0 3 336.436 2.124 10 5 EEBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000248746669 160359657 /nfs/dbraw/zinc/35/96/57/160359657.db2.gz FNIRSCJSEWVHKC-RDJZCZTQSA-N 0 3 331.416 2.470 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@H]2NCCc3ccccc32)c2nonc21 ZINC000261762414 160414562 /nfs/dbraw/zinc/41/45/62/160414562.db2.gz VXDOPOVECRPFMT-CYBMUJFWSA-N 0 3 325.328 2.430 10 5 EEBEHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000344407101 161224233 /nfs/dbraw/zinc/22/42/33/161224233.db2.gz SJOCJRLGLHRSPP-AWEZNQCLSA-N 0 3 337.807 2.486 10 5 EEBEHN CN(C)CCOc1ccc(CCNc2ccncc2[N+](=O)[O-])cc1 ZINC000352646608 162225802 /nfs/dbraw/zinc/22/58/02/162225802.db2.gz QJEVCEXVMGXXBR-UHFFFAOYSA-N 0 3 330.388 2.007 10 5 EEBEHN C[C@@H]1COCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000277427366 269154727 /nfs/dbraw/zinc/15/47/27/269154727.db2.gz KKAUMAXZFJCYLV-MWLCHTKSSA-N 0 3 327.768 2.201 10 5 EEBEHN COc1cc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])cc1F ZINC000121922116 274097664 /nfs/dbraw/zinc/09/76/64/274097664.db2.gz JGTLQHVZWFCJGW-NSHDSACASA-N 0 3 327.356 2.001 10 5 EEBEHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415767686 313182111 /nfs/dbraw/zinc/18/21/11/313182111.db2.gz UKZLSXUYHSNJOD-GFCCVEGCSA-N 0 3 328.319 2.276 10 5 EEBEHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000547437951 318288654 /nfs/dbraw/zinc/28/86/54/318288654.db2.gz JOKIGFSVHLGWJT-WBMJQRKESA-N 0 3 328.372 2.411 10 5 EEBEHN Cn1cc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000590599179 468282815 /nfs/dbraw/zinc/28/28/15/468282815.db2.gz FADFCPQDMQBRRA-QGZVFWFLSA-N 0 3 344.415 2.364 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000590767523 468334383 /nfs/dbraw/zinc/33/43/83/468334383.db2.gz OVGDAHQYADHSND-RNCFNFMXSA-N 0 3 343.305 2.390 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263907583 464236136 /nfs/dbraw/zinc/23/61/36/464236136.db2.gz HWZOAVSEYGQKMF-OAHLLOKOSA-N 0 3 346.431 2.361 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)n1 ZINC000281252846 464388374 /nfs/dbraw/zinc/38/83/74/464388374.db2.gz UXSGHLMSVXYORT-OLZOCXBDSA-N 0 3 348.403 2.228 10 5 EEBEHN COC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182409151 464649068 /nfs/dbraw/zinc/64/90/68/464649068.db2.gz HSFQDYGYMLGQQY-HOTGVXAUSA-N 0 3 346.383 2.312 10 5 EEBEHN CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000340295369 465962215 /nfs/dbraw/zinc/96/22/15/465962215.db2.gz MCDHHXBTTHOOSK-INIZCTEOSA-N 0 3 332.404 2.015 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000340301217 465970385 /nfs/dbraw/zinc/97/03/85/465970385.db2.gz JUWJPRVCIARNJK-HIFRSBDPSA-N 0 3 334.420 2.261 10 5 EEBEHN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCN(C2CC2)C1 ZINC000349349087 466077395 /nfs/dbraw/zinc/07/73/95/466077395.db2.gz QUVNXEUDCDTOKP-OAHLLOKOSA-N 0 3 343.387 2.313 10 5 EEBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000597210057 468480711 /nfs/dbraw/zinc/48/07/11/468480711.db2.gz TZMXEJIZSOYJDP-UMVBOHGHSA-N 0 3 340.445 2.471 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368037602 466570016 /nfs/dbraw/zinc/57/00/16/466570016.db2.gz ACOYEVLJXTUUAT-AWEZNQCLSA-N 0 3 327.388 2.655 10 5 EEBEHN COC(=O)[C@]12CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000373490898 466821831 /nfs/dbraw/zinc/82/18/31/466821831.db2.gz SECBJTGIQDFBBC-IWAYODKASA-N 0 3 346.383 2.120 10 5 EEBEHN CC(=O)c1cc(N2CCOC3(CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000591991252 468592074 /nfs/dbraw/zinc/59/20/74/468592074.db2.gz IEFSTLJULUOQBB-UHFFFAOYSA-N 0 3 333.388 2.098 10 5 EEBEHN NC[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000594523765 468615300 /nfs/dbraw/zinc/61/53/00/468615300.db2.gz CUJFWTUUBINLOX-LBPRGKRZSA-N 0 3 346.309 2.158 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597856854 468695498 /nfs/dbraw/zinc/69/54/98/468695498.db2.gz BISSMKMDEPFXBM-NSHDSACASA-N 0 3 331.376 2.074 10 5 EEBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592522695 468719935 /nfs/dbraw/zinc/71/99/35/468719935.db2.gz FIFANBAWNCHENX-BAAYTWLHSA-N 0 3 346.431 2.050 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCCN1CCO ZINC000595042556 468748344 /nfs/dbraw/zinc/74/83/44/468748344.db2.gz SVGYLBYOJYELGW-DZGCQCFKSA-N 0 3 337.420 2.101 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595660294 468944032 /nfs/dbraw/zinc/94/40/32/468944032.db2.gz DQPQEJREXHEHAK-CYBMUJFWSA-N 0 3 349.435 2.179 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000593460369 468990212 /nfs/dbraw/zinc/99/02/12/468990212.db2.gz AKLPGTNVMCBPOV-ROUUACIJSA-N 0 3 342.399 2.178 10 5 EEBEHN O=C(C[C@@H]1NCc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595954021 469095962 /nfs/dbraw/zinc/09/59/62/469095962.db2.gz OSDGJIATAUIVJS-KRWDZBQOSA-N 0 3 338.367 2.109 10 5 EEBEHN COC(=O)C(C)(C)[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000611404609 469241937 /nfs/dbraw/zinc/24/19/37/469241937.db2.gz ICFCIPZVEFDZFH-OAHLLOKOSA-N 0 3 346.387 2.321 10 5 EEBEHN Cc1ccc(NCCCNC(=O)N[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000610105299 469981294 /nfs/dbraw/zinc/98/12/94/469981294.db2.gz QMCWHGYYXYVYLE-AWEZNQCLSA-N 0 3 349.435 2.099 10 5 EEBEHN CCOC(=O)c1ccnc(N(C)C[C@@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000175166847 528272217 /nfs/dbraw/zinc/27/22/17/528272217.db2.gz KUIYTKICHLJQBG-LBPRGKRZSA-N 0 3 336.392 2.087 10 5 EEBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(c2nnnn2C)CC1 ZINC000877781068 1200097426 /nfs/dbraw/zinc/09/74/26/1200097426.db2.gz PTQNDYSJRFLLLW-RAXLEYEMSA-N 0 3 342.403 2.401 10 5 EEBEHN O=C1[C@@H](N[C@@H]2CCC[C@]23CCCO3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880515262 1201509261 /nfs/dbraw/zinc/50/92/61/1201509261.db2.gz BWUQFORGPWGDSV-JZXOWHBKSA-N 0 3 345.399 2.391 10 5 EEBEHN Cc1cccc([C@@H](O)CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000931468644 1207388368 /nfs/dbraw/zinc/38/83/68/1207388368.db2.gz AIENRWBIWWTWJO-ZWKOTPCHSA-N 0 3 330.384 2.434 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]c(C)nc1C ZINC001320845901 1332964327 /nfs/dbraw/zinc/96/43/27/1332964327.db2.gz OINFDTCVQOIXMT-UHFFFAOYSA-N 0 3 345.403 2.187 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CN3CCC[C@H]3CO1)CCCC2 ZINC001328119495 1334400378 /nfs/dbraw/zinc/40/03/78/1334400378.db2.gz MWGDMHNAAMMTAU-UONOGXRCSA-N 0 3 332.404 2.144 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1F ZINC001668597200 1355970108 /nfs/dbraw/zinc/97/01/08/1355970108.db2.gz VUJYTANTCYLVFC-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN COc1cc(NCCN2CCC(OC)CC2)c([N+](=O)[O-])cc1OC ZINC001655206415 1354167585 /nfs/dbraw/zinc/16/75/85/1354167585.db2.gz WEIUXOWDJSLIIH-UHFFFAOYSA-N 0 3 339.392 2.135 10 5 EEBEHN O=C(CNC1([C@@H]2CCCO2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001655887035 1354188976 /nfs/dbraw/zinc/18/89/76/1354188976.db2.gz WPZWKZZKFAHUQN-INIZCTEOSA-N 0 3 345.399 2.175 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195506722 160214727 /nfs/dbraw/zinc/21/47/27/160214727.db2.gz IPWJRMLHBPHMQV-UHFFFAOYSA-N 0 3 343.387 2.444 10 5 EEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000246609586 160286849 /nfs/dbraw/zinc/28/68/49/160286849.db2.gz RQXNUSHSVLUMER-OCCSQVGLSA-N 0 3 333.388 2.302 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000286522190 274880270 /nfs/dbraw/zinc/88/02/70/274880270.db2.gz BZFMZFSOIXMRRZ-ZDUSSCGKSA-N 0 3 348.403 2.149 10 5 EEBEHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000291874727 275348870 /nfs/dbraw/zinc/34/88/70/275348870.db2.gz INXZVOMRDQOFFN-AWEZNQCLSA-N 0 3 342.399 2.302 10 5 EEBEHN CN1CC[C@]2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293972166 293340619 /nfs/dbraw/zinc/34/06/19/293340619.db2.gz UTNYIOYNODUOIV-KRWDZBQOSA-N 0 3 328.372 2.244 10 5 EEBEHN CCN(CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(C)C ZINC000416476480 313232516 /nfs/dbraw/zinc/23/25/16/313232516.db2.gz YDSOKMUSRUUWMD-UHFFFAOYSA-N 0 3 343.449 2.220 10 5 EEBEHN CC(C)(NC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000418746537 313895921 /nfs/dbraw/zinc/89/59/21/313895921.db2.gz IIEKRGRRXMOVID-LBPRGKRZSA-N 0 3 342.346 2.126 10 5 EEBEHN C[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000507235114 316375582 /nfs/dbraw/zinc/37/55/82/316375582.db2.gz ZDTYVDOIBDGTPW-DOMZBBRYSA-N 0 3 341.433 2.060 10 5 EEBEHN CC[C@H]1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000540952848 318087232 /nfs/dbraw/zinc/08/72/32/318087232.db2.gz WYSPIVJPVYLOGW-ZBFHGGJFSA-N 0 3 334.420 2.317 10 5 EEBEHN C[C@H]1CCN(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000576956039 320219851 /nfs/dbraw/zinc/21/98/51/320219851.db2.gz VMBZHRNYHOKCKX-NSHDSACASA-N 0 3 325.796 2.249 10 5 EEBEHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000521501598 468318107 /nfs/dbraw/zinc/31/81/07/468318107.db2.gz SAUNXPWGJDGZGE-CYBMUJFWSA-N 0 3 328.372 2.240 10 5 EEBEHN CN(C)C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000123672142 463360452 /nfs/dbraw/zinc/36/04/52/463360452.db2.gz GMVIJGNYHYSRQP-INIZCTEOSA-N 0 3 342.399 2.426 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000170864136 463726649 /nfs/dbraw/zinc/72/66/49/463726649.db2.gz OOORHWSWIMEHPI-CYBMUJFWSA-N 0 3 346.412 2.494 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000171079228 463778864 /nfs/dbraw/zinc/77/88/64/463778864.db2.gz AZSGZIKYLLOBBM-JTQLQIEISA-N 0 3 344.318 2.364 10 5 EEBEHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000284569502 464246688 /nfs/dbraw/zinc/24/66/88/464246688.db2.gz OEBDRTLKVAVQAY-IAGOWNOFSA-N 0 3 328.372 2.052 10 5 EEBEHN CCOc1cc(N2CCN(C[C@H](C)O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000246499716 464591606 /nfs/dbraw/zinc/59/16/06/464591606.db2.gz RZBPXULRLNVHJA-KBPBESRZSA-N 0 3 337.420 2.275 10 5 EEBEHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432371 465320887 /nfs/dbraw/zinc/32/08/87/465320887.db2.gz FQVQNMYCRIBNAA-BONVTDFDSA-N 0 3 341.358 2.214 10 5 EEBEHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CN2CCC1CC2 ZINC000347960310 465336440 /nfs/dbraw/zinc/33/64/40/465336440.db2.gz WTTLAAUOICICNI-INIZCTEOSA-N 0 3 328.372 2.242 10 5 EEBEHN Cc1cc(C(=O)N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600007043 468435354 /nfs/dbraw/zinc/43/53/54/468435354.db2.gz MWQWXGXHUSVFGM-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN CN1CCC[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094696 468441403 /nfs/dbraw/zinc/44/14/03/468441403.db2.gz IBODJBWPMCBCDJ-SECBINFHSA-N 0 3 327.772 2.046 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339962148 465638502 /nfs/dbraw/zinc/63/85/02/465638502.db2.gz FAPZTEHBQPNFTJ-AWEZNQCLSA-N 0 3 349.431 2.099 10 5 EEBEHN CCN1CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362399407 465706647 /nfs/dbraw/zinc/70/66/47/465706647.db2.gz CZRJGGOPSQRZJO-SNVBAGLBSA-N 0 3 327.331 2.016 10 5 EEBEHN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)[C@H]1CCN(C2CC2)C1 ZINC000350093681 466383738 /nfs/dbraw/zinc/38/37/38/466383738.db2.gz GMOMKQYQUOMCJS-HNNXBMFYSA-N 0 3 342.403 2.063 10 5 EEBEHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375151708 466822797 /nfs/dbraw/zinc/82/27/97/466822797.db2.gz JVJLFFSQULPFER-SUMWQHHRSA-N 0 3 340.383 2.240 10 5 EEBEHN CCOc1cc(CN(C[C@H]2CCC(=O)N2)C(C)C)ccc1[N+](=O)[O-] ZINC000412074008 466995916 /nfs/dbraw/zinc/99/59/16/466995916.db2.gz JGVQZRFAXSFVES-CQSZACIVSA-N 0 3 335.404 2.483 10 5 EEBEHN CCN1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532143661 468100593 /nfs/dbraw/zinc/10/05/93/468100593.db2.gz SURXLGSFOHFBGZ-UHFFFAOYSA-N 0 3 344.375 2.095 10 5 EEBEHN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597945031 468720382 /nfs/dbraw/zinc/72/03/82/468720382.db2.gz GRZLEVRLQJNZIS-OAHLLOKOSA-N 0 3 346.431 2.361 10 5 EEBEHN O=C(NCCCNCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916609 469048133 /nfs/dbraw/zinc/04/81/33/469048133.db2.gz FRFMVOQDDMFMBZ-UHFFFAOYSA-N 0 3 347.350 2.430 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)[C@@H]2CCCO2)o1 ZINC000598990689 469079588 /nfs/dbraw/zinc/07/95/88/469079588.db2.gz QOCUNUCZEJITGV-RDJZCZTQSA-N 0 3 332.356 2.484 10 5 EEBEHN C[C@H](O)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066335 469136726 /nfs/dbraw/zinc/13/67/26/469136726.db2.gz CTRWEMOARWUJGJ-JCKWVBRZSA-N 0 3 346.383 2.046 10 5 EEBEHN COc1ccc(CC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610178062 469985766 /nfs/dbraw/zinc/98/57/66/469985766.db2.gz MXVSVKNZCSINID-TZMCWYRMSA-N 0 3 335.404 2.087 10 5 EEBEHN CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCN(C2CC2)C1 ZINC000733192194 577212616 /nfs/dbraw/zinc/21/26/16/577212616.db2.gz XUENDONKSLUJRY-ZDUSSCGKSA-N 0 3 330.388 2.152 10 5 EEBEHN C[C@@H]1COCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763901688 577727708 /nfs/dbraw/zinc/72/77/08/577727708.db2.gz MJGFQXMRXXNMFS-KOLCDFICSA-N 0 3 327.768 2.201 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000750728499 577741887 /nfs/dbraw/zinc/74/18/87/577741887.db2.gz QWDGCZIFFZLKKM-MRXNPFEDSA-N 0 3 347.415 2.276 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2COc3ccccc3O2)c1 ZINC000749645843 577979410 /nfs/dbraw/zinc/97/94/10/577979410.db2.gz IHFZDFBPYQJVPU-HUUCEWRRSA-N 0 3 330.340 2.058 10 5 EEBEHN CN(C)CCn1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cn1 ZINC000749937377 577983997 /nfs/dbraw/zinc/98/39/97/577983997.db2.gz LZWDJYUESBLYAO-UHFFFAOYSA-N 0 3 337.767 2.259 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000047142634 684909649 /nfs/dbraw/zinc/90/96/49/684909649.db2.gz AYSMPSLLSCJOHL-LLVKDONJSA-N 0 3 336.348 2.107 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000925322414 692043032 /nfs/dbraw/zinc/04/30/32/692043032.db2.gz XKWISOGMVUHIFR-SCZZXKLOSA-N 0 3 344.318 2.410 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000814146969 1199319099 /nfs/dbraw/zinc/31/90/99/1199319099.db2.gz VUUZMHSEVYXJHB-XPTSAGLGSA-N 0 3 341.770 2.092 10 5 EEBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(c2nnnn2C)CC1 ZINC000877781067 1200098626 /nfs/dbraw/zinc/09/86/26/1200098626.db2.gz PTQNDYSJRFLLLW-JLHYYAGUSA-N 0 3 342.403 2.401 10 5 EEBEHN CC(COC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[N+](=O)[O-] ZINC000813111513 1201123630 /nfs/dbraw/zinc/12/36/30/1201123630.db2.gz UFUUYQLULDJXJB-CQSZACIVSA-N 0 3 348.399 2.066 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000928450359 1206386015 /nfs/dbraw/zinc/38/60/15/1206386015.db2.gz IANPJWABISQSLE-DOMZBBRYSA-N 0 3 332.404 2.017 10 5 EEBEHN CCOc1cc(CN2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000930909590 1206591775 /nfs/dbraw/zinc/59/17/75/1206591775.db2.gz GQZDUUGNIGSZAF-MBNYWOFBSA-N 0 3 335.404 2.468 10 5 EEBEHN CN(CCCN(C)C(=O)c1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001273495940 1278593100 /nfs/dbraw/zinc/59/31/00/1278593100.db2.gz OTGNTHFFILWLQR-UHFFFAOYSA-N 0 3 332.360 2.177 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000856407944 1293516703 /nfs/dbraw/zinc/51/67/03/1293516703.db2.gz ZMUBZUMPKFUBEA-JOYOIKCWSA-N 0 3 336.348 2.024 10 5 EEBEHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863031514 1296087253 /nfs/dbraw/zinc/08/72/53/1296087253.db2.gz HLIHMWVWPGVVCX-NSHDSACASA-N 0 3 336.367 2.063 10 5 EEBEHN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C1CCCC1 ZINC001123944495 1310770042 /nfs/dbraw/zinc/77/00/42/1310770042.db2.gz YJBFIXHLUOGZAP-LBPRGKRZSA-N 0 3 332.404 2.266 10 5 EEBEHN CCCC(=O)N1CCC(N(CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001316809720 1331905891 /nfs/dbraw/zinc/90/58/91/1331905891.db2.gz MQBRGYCYKHLQKJ-UHFFFAOYSA-N 0 3 349.431 2.180 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C(C)(C)C)CC2)c1 ZINC001327208525 1334246128 /nfs/dbraw/zinc/24/61/28/1334246128.db2.gz KBYISLYVFCJXKZ-UHFFFAOYSA-N 0 3 335.404 2.298 10 5 EEBEHN COCCN1CCC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001559216818 1342498997 /nfs/dbraw/zinc/49/89/97/1342498997.db2.gz PDBGZPGILMGFME-ZDUSSCGKSA-N 0 3 348.378 2.227 10 5 EEBEHN C[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001622828135 1352389391 /nfs/dbraw/zinc/38/93/91/1352389391.db2.gz ZFMQXUIVROULOL-WCBMZHEXSA-N 0 3 338.795 2.185 10 5 EEBEHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(F)cc1 ZINC001638246653 1352686075 /nfs/dbraw/zinc/68/60/75/1352686075.db2.gz NOPSXIKAZWVXDX-INIZCTEOSA-N 0 3 346.362 2.349 10 5 EEBEHN CC/C=C(\C)C(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001666274635 1355500936 /nfs/dbraw/zinc/50/09/36/1355500936.db2.gz GMXOWDMPNXTFRL-AOJQHBBLSA-N 0 3 349.435 2.202 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1cc[nH]c1 ZINC001673168338 1356651107 /nfs/dbraw/zinc/65/11/07/1356651107.db2.gz IPNBAVAMAYAQMQ-UHFFFAOYSA-N 0 3 328.372 2.365 10 5 EEBEHN CCOCC(=O)N1CCC(C)(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001673938595 1356763514 /nfs/dbraw/zinc/76/35/14/1356763514.db2.gz WIYNZTFSENHJQS-UHFFFAOYSA-N 0 3 341.433 2.164 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CN(C2CCOCC2)C1 ZINC000908268928 785283450 /nfs/dbraw/zinc/28/34/50/785283450.db2.gz QYDVQYVIXMHWPS-UHFFFAOYSA-N 0 3 333.388 2.261 10 5 EEBEHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000820006488 785739173 /nfs/dbraw/zinc/73/91/73/785739173.db2.gz ZYXVJRUZQFZCLJ-TZMCWYRMSA-N 0 3 341.371 2.074 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C2CC2)no1 ZINC001493714150 1108552128 /nfs/dbraw/zinc/55/21/28/1108552128.db2.gz RAZHQERYGNBZMF-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN Cc1c[nH]nc1C(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001502193261 1113630656 /nfs/dbraw/zinc/63/06/56/1113630656.db2.gz WYJOKGDCWSFHSP-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN Cc1nc(C)c(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001569190290 1125154498 /nfs/dbraw/zinc/15/44/98/1125154498.db2.gz OFWKJAQGMCTELH-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN CN(c1ncnc(Oc2cccnc2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040660444 213365348 /nfs/dbraw/zinc/36/53/48/213365348.db2.gz OTBJTNBVKZCYER-UHFFFAOYSA-N 0 3 344.375 2.103 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCCN(Cc2cnn(C)c2)CC1 ZINC000183333233 235013766 /nfs/dbraw/zinc/01/37/66/235013766.db2.gz DNXPKFPXBFAJRY-UHFFFAOYSA-N 0 3 343.431 2.345 10 5 EEBEHN CN(C)C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000153585704 224126398 /nfs/dbraw/zinc/12/63/98/224126398.db2.gz PWTDMKXPZPYJRU-MRXNPFEDSA-N 0 3 346.387 2.012 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCCO1 ZINC000076300036 159083391 /nfs/dbraw/zinc/08/33/91/159083391.db2.gz NXCFHIDVYUCMFF-ZDUSSCGKSA-N 0 3 337.376 2.043 10 5 EEBEHN Cc1ccc(O)c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000093534299 159235923 /nfs/dbraw/zinc/23/59/23/159235923.db2.gz LWKKEPAJPMWMMV-LBPRGKRZSA-N 0 3 329.360 2.085 10 5 EEBEHN O=C(CCN[C@@H](CO)c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000352031614 162037602 /nfs/dbraw/zinc/03/76/02/162037602.db2.gz GCYKMRUNOPSIAP-ZDUSSCGKSA-N 0 3 335.385 2.308 10 5 EEBEHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000291874730 275348940 /nfs/dbraw/zinc/34/89/40/275348940.db2.gz INXZVOMRDQOFFN-CQSZACIVSA-N 0 3 342.399 2.302 10 5 EEBEHN CN1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408039671 290169474 /nfs/dbraw/zinc/16/94/74/290169474.db2.gz XDJCSRFKVLCTNX-GJZGRUSLSA-N 0 3 325.796 2.153 10 5 EEBEHN CCOc1cc(CN2CCO[C@@H]3CCN(CC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000293315922 293179405 /nfs/dbraw/zinc/17/94/05/293179405.db2.gz QPQUKOGOQXZJMZ-DLBZAZTESA-N 0 3 349.431 2.289 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000299043225 294644676 /nfs/dbraw/zinc/64/46/76/294644676.db2.gz WIJIWEXXBWKXKP-OAHLLOKOSA-N 0 3 342.399 2.080 10 5 EEBEHN CCN1CCN([C@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000301612869 294875024 /nfs/dbraw/zinc/87/50/24/294875024.db2.gz GKNXRQYSKFVBAJ-GFCCVEGCSA-N 0 3 340.399 2.180 10 5 EEBEHN CN(C)C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000416310080 313207990 /nfs/dbraw/zinc/20/79/90/313207990.db2.gz YOCWXSQEIQJNKN-UHFFFAOYSA-N 0 3 329.303 2.020 10 5 EEBEHN COCC(C)(C)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000425501366 314407530 /nfs/dbraw/zinc/40/75/30/314407530.db2.gz DYSNDZCYULMGCD-UHFFFAOYSA-N 0 3 337.420 2.146 10 5 EEBEHN O=[N+]([O-])c1cccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000449357151 315437676 /nfs/dbraw/zinc/43/76/76/315437676.db2.gz BUGJKUVIHQEHNK-ZDUSSCGKSA-N 0 3 332.381 2.256 10 5 EEBEHN CNc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)c1ccncc1 ZINC000516068753 316531925 /nfs/dbraw/zinc/53/19/25/316531925.db2.gz MMWIBJSXFUEILK-UHFFFAOYSA-N 0 3 329.360 2.497 10 5 EEBEHN COc1ccc(CNC[C@H](O)COc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000550764930 318455012 /nfs/dbraw/zinc/45/50/12/318455012.db2.gz QLOPJZIBBCTEQE-HNNXBMFYSA-N 0 3 346.383 2.441 10 5 EEBEHN CN(C)CCOC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000564893059 319123807 /nfs/dbraw/zinc/12/38/07/319123807.db2.gz RNTFOFNBJSJBSI-UHFFFAOYSA-N 0 3 348.447 2.416 10 5 EEBEHN CC(F)(F)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576512175 320178228 /nfs/dbraw/zinc/17/82/28/320178228.db2.gz PLMURPLNYQOODH-UHFFFAOYSA-N 0 3 336.360 2.394 10 5 EEBEHN Cc1ccc([C@H](C)NC[C@@H](O)COC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000181827042 323357615 /nfs/dbraw/zinc/35/76/15/323357615.db2.gz HMGZPLJAOCNNBV-IMJJTQAJSA-N 0 3 338.404 2.110 10 5 EEBEHN CCN(CC)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccco1 ZINC000347872434 465278130 /nfs/dbraw/zinc/27/81/30/465278130.db2.gz WXHFXQYMTYWEHM-LBPRGKRZSA-N 0 3 344.375 2.726 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCN1C ZINC000160422231 463337574 /nfs/dbraw/zinc/33/75/74/463337574.db2.gz HLNMNABBMQUREG-ZJUUUORDSA-N 0 3 327.331 2.428 10 5 EEBEHN Cc1c([C@@H](C)N[C@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000164918763 463636348 /nfs/dbraw/zinc/63/63/48/463636348.db2.gz GSUNOOGNEQYNAP-PBHICJAKSA-N 0 3 349.431 2.437 10 5 EEBEHN CCNC(=O)C[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000284977433 464414153 /nfs/dbraw/zinc/41/41/53/464414153.db2.gz XWERRNBWBGCBJU-GOEBONIOSA-N 0 3 335.404 2.009 10 5 EEBEHN CCOC(=O)c1cc(N2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000176956906 464894295 /nfs/dbraw/zinc/89/42/95/464894295.db2.gz WLKVCHQXHFSEOY-UHFFFAOYSA-N 0 3 333.388 2.446 10 5 EEBEHN CN1CCC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095249 468442208 /nfs/dbraw/zinc/44/22/08/468442208.db2.gz PKJDVBBJGQTMQW-SECBINFHSA-N 0 3 327.772 2.046 10 5 EEBEHN Nc1c(C(=O)NC[C@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600227762 468500937 /nfs/dbraw/zinc/50/09/37/468500937.db2.gz FYXKEHCMFBESFZ-CYBMUJFWSA-N 0 3 332.404 2.314 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000370996536 467067312 /nfs/dbraw/zinc/06/73/12/467067312.db2.gz DZNYPHDYZHPCQK-WMLDXEAASA-N 0 3 328.372 2.298 10 5 EEBEHN COC(=O)c1cc(C)nc(NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000450953740 467213791 /nfs/dbraw/zinc/21/37/91/467213791.db2.gz ZPDXHTFOUQJCDS-UHFFFAOYSA-N 0 3 336.392 2.371 10 5 EEBEHN CCC[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CCOC ZINC000447677133 467588078 /nfs/dbraw/zinc/58/80/78/467588078.db2.gz HIHJUTGYXQVSEY-AWEZNQCLSA-N 0 3 347.419 2.408 10 5 EEBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600471546 468567049 /nfs/dbraw/zinc/56/70/49/468567049.db2.gz LIZXYKNPLWKKBN-ZDUSSCGKSA-N 0 3 343.387 2.218 10 5 EEBEHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN)C(F)(F)F ZINC000594451981 468593860 /nfs/dbraw/zinc/59/38/60/468593860.db2.gz VTWMBRIURNNNCT-GMSGAONNSA-N 0 3 337.323 2.081 10 5 EEBEHN O=C(CCN1CC[C@H](OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000558862572 468718711 /nfs/dbraw/zinc/71/87/11/468718711.db2.gz ALFKVXIARLZOFE-JTQLQIEISA-N 0 3 329.303 2.237 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCCN1CCO ZINC000595042568 468748521 /nfs/dbraw/zinc/74/85/21/468748521.db2.gz SVGYLBYOJYELGW-ZFWWWQNUSA-N 0 3 337.420 2.101 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000595253014 468793436 /nfs/dbraw/zinc/79/34/36/468793436.db2.gz KVMBLJCTTSRPAS-INIZCTEOSA-N 0 3 341.367 2.454 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]CC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])s1 ZINC000601337889 468831810 /nfs/dbraw/zinc/83/18/10/468831810.db2.gz JYFNUTRFMXQFLO-UHFFFAOYSA-N 0 3 347.462 2.117 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]CC[N@H+](C)C2CCCC2)c([N+](=O)[O-])s1 ZINC000601337889 468831814 /nfs/dbraw/zinc/83/18/14/468831814.db2.gz JYFNUTRFMXQFLO-UHFFFAOYSA-N 0 3 347.462 2.117 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000593026538 468844893 /nfs/dbraw/zinc/84/48/93/468844893.db2.gz CKKVQXLFDRHTAI-AWEZNQCLSA-N 0 3 342.351 2.344 10 5 EEBEHN COc1ccc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000593041442 468848514 /nfs/dbraw/zinc/84/85/14/468848514.db2.gz OYZNITUKLSLIBL-UHFFFAOYSA-N 0 3 331.376 2.075 10 5 EEBEHN CC(C)[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595686431 468954866 /nfs/dbraw/zinc/95/48/66/468954866.db2.gz ZPMBRHNXKITCBD-BBRMVZONSA-N 0 3 336.367 2.278 10 5 EEBEHN CC(C)NC(=O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595850784 469044060 /nfs/dbraw/zinc/04/40/60/469044060.db2.gz OSOAKOMUJKWOAB-AWEZNQCLSA-N 0 3 335.404 2.210 10 5 EEBEHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCC1 ZINC000598967774 469070849 /nfs/dbraw/zinc/07/08/49/469070849.db2.gz VEQRDPQSLDCBKL-MRXNPFEDSA-N 0 3 332.404 2.411 10 5 EEBEHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCN(C2CC2)C1 ZINC000611268891 469213938 /nfs/dbraw/zinc/21/39/38/469213938.db2.gz YDSSACFBVCFGFR-AWEZNQCLSA-N 0 3 333.388 2.035 10 5 EEBEHN O=[N+]([O-])c1cnccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596436278 469266112 /nfs/dbraw/zinc/26/61/12/469266112.db2.gz JZGFWYANPFVKFM-UHFFFAOYSA-N 0 3 327.388 2.131 10 5 EEBEHN Nc1cc(N[C@H]2CCN(Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000612398675 469455322 /nfs/dbraw/zinc/45/53/22/469455322.db2.gz PVOFSNQSSDUQSD-HNNXBMFYSA-N 0 3 342.399 2.356 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928443065 683171104 /nfs/dbraw/zinc/17/11/04/683171104.db2.gz SLWMJPVDBXTHMO-PELKAZGASA-N 0 3 329.759 2.139 10 5 EEBEHN COCC(C)(C)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691104700 1177582312 /nfs/dbraw/zinc/58/23/12/1177582312.db2.gz BEJZZSXWQVGMHM-OTVXOJSOSA-N 0 3 349.431 2.252 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ocnc1C1CC1 ZINC001267428997 1178996478 /nfs/dbraw/zinc/99/64/78/1178996478.db2.gz KFJPXVHTFGFETC-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN Cc1ncc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001493493205 1183092931 /nfs/dbraw/zinc/09/29/31/1183092931.db2.gz VABKQEFYJJGLQS-UHFFFAOYSA-N 0 3 334.401 2.222 10 5 EEBEHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871151243 1201070119 /nfs/dbraw/zinc/07/01/19/1201070119.db2.gz ZIGUENRHMBNLLG-UHFFFAOYSA-N 0 3 334.420 2.217 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCN1C ZINC000719385282 1213144713 /nfs/dbraw/zinc/14/47/13/1213144713.db2.gz NMDGFDYILCRFNZ-WCBMZHEXSA-N 0 3 342.193 2.180 10 5 EEBEHN CCC(=O)N1CCC(N(CCOC)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001277398088 1302850887 /nfs/dbraw/zinc/85/08/87/1302850887.db2.gz BPKXJFRZPDGTJG-UHFFFAOYSA-N 0 3 349.431 2.444 10 5 EEBEHN CN1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001303987266 1331372395 /nfs/dbraw/zinc/37/23/95/1331372395.db2.gz BETAPPMFURWMAQ-CQSZACIVSA-N 0 3 337.395 2.468 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ncoc1C1CC1 ZINC001317651065 1332349439 /nfs/dbraw/zinc/34/94/39/1332349439.db2.gz SWNDUODFMJDMAO-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1=COCCC1 ZINC001321002675 1332995741 /nfs/dbraw/zinc/99/57/41/1332995741.db2.gz XPYJAPWJHDJGKZ-UPHRSURJSA-N 0 3 331.372 2.051 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1ccon1 ZINC001326785156 1334159409 /nfs/dbraw/zinc/15/94/09/1334159409.db2.gz IYQJDXOVMHJRRB-UHFFFAOYSA-N 0 3 330.344 2.025 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)cc1C(F)(F)F ZINC001643236910 1352743855 /nfs/dbraw/zinc/74/38/55/1352743855.db2.gz DRJLPHHIXSWEJL-SECBINFHSA-N 0 3 331.294 2.181 10 5 EEBEHN CC/C=C(/C)C(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001666274636 1355501100 /nfs/dbraw/zinc/50/11/00/1355501100.db2.gz GMXOWDMPNXTFRL-UXKQBXRZSA-N 0 3 349.435 2.202 10 5 EEBEHN C[NH+](C)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(F)c1 ZINC001451392082 1097627939 /nfs/dbraw/zinc/62/79/39/1097627939.db2.gz OQFOCWGWZAHNIM-UHFFFAOYSA-N 0 3 334.307 2.148 10 5 EEBEHN Cc1nocc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479794220 1099004331 /nfs/dbraw/zinc/00/43/31/1099004331.db2.gz WQAWGSLDUSZXLD-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001473416740 1110575269 /nfs/dbraw/zinc/57/52/69/1110575269.db2.gz SKPXPDYENQTQSB-UHFFFAOYSA-N 0 3 333.348 2.182 10 5 EEBEHN C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174104808 231122085 /nfs/dbraw/zinc/12/20/85/231122085.db2.gz GRDDVEOAGGPYDK-BBRMVZONSA-N 0 3 330.388 2.312 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1cccnc1)C1CC1 ZINC000445814978 242133536 /nfs/dbraw/zinc/13/35/36/242133536.db2.gz FKIFMQALTHCDSB-MAUKXSAKSA-N 0 3 343.383 2.470 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccco2)C2CCCC2)c1 ZINC000266561582 248360931 /nfs/dbraw/zinc/36/09/31/248360931.db2.gz XYRJDFVNFKKZSO-OAHLLOKOSA-N 0 3 334.376 2.190 10 5 EEBEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000116928803 221012014 /nfs/dbraw/zinc/01/20/14/221012014.db2.gz ACXHUYCKLOMWAI-LLVKDONJSA-N 0 3 342.783 2.043 10 5 EEBEHN Cc1c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247322115 160319680 /nfs/dbraw/zinc/31/96/80/160319680.db2.gz ORNCJAOHDDJGPW-PWSUYJOCSA-N 0 3 348.359 2.120 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000346715469 161395545 /nfs/dbraw/zinc/39/55/45/161395545.db2.gz AOVIQBVVTROKSR-OAHLLOKOSA-N 0 3 335.404 2.086 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)n1 ZINC000191787761 274052289 /nfs/dbraw/zinc/05/22/89/274052289.db2.gz HYWXSTSTUQSGRK-AWEZNQCLSA-N 0 3 345.403 2.152 10 5 EEBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1-n1cccn1 ZINC000090538378 278349098 /nfs/dbraw/zinc/34/90/98/278349098.db2.gz ZPAVOYFUZJODGK-CYBMUJFWSA-N 0 3 326.360 2.328 10 5 EEBEHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)CO ZINC000421408073 314097738 /nfs/dbraw/zinc/09/77/38/314097738.db2.gz KCIXHEMWTWJAJM-OAHLLOKOSA-N 0 3 334.372 2.418 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CCN(C)c1ccncc1 ZINC000543357609 318156674 /nfs/dbraw/zinc/15/66/74/318156674.db2.gz YEOJCRYIRMNEKJ-UHFFFAOYSA-N 0 3 344.371 2.141 10 5 EEBEHN CN(CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000565734680 319209356 /nfs/dbraw/zinc/20/93/56/319209356.db2.gz WGBWYDGBGKIDQX-UHFFFAOYSA-N 0 3 326.356 2.405 10 5 EEBEHN COc1cc(CN2CCC(N3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000581437357 324254562 /nfs/dbraw/zinc/25/45/62/324254562.db2.gz JKLZQJZHNRSIDO-AWEZNQCLSA-N 0 3 349.431 2.289 10 5 EEBEHN CCN(CC)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccco1 ZINC000347872424 465277874 /nfs/dbraw/zinc/27/78/74/465277874.db2.gz WXHFXQYMTYWEHM-GFCCVEGCSA-N 0 3 344.375 2.726 10 5 EEBEHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000076184661 462818798 /nfs/dbraw/zinc/81/87/98/462818798.db2.gz CLHFKYMKPZMCOC-SNPRPXQTSA-N 0 3 334.376 2.218 10 5 EEBEHN CC[C@H](CO)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000078524423 463124595 /nfs/dbraw/zinc/12/45/95/463124595.db2.gz WPPAHTAJVCFSKH-CQSZACIVSA-N 0 3 330.388 2.036 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000080611653 463337196 /nfs/dbraw/zinc/33/71/96/463337196.db2.gz SBVOIJGADBLDEV-INIZCTEOSA-N 0 3 332.448 2.367 10 5 EEBEHN O=C(CCN1CCN2CCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000172800646 464146039 /nfs/dbraw/zinc/14/60/39/464146039.db2.gz AYIXMZCCWTYELX-CQSZACIVSA-N 0 3 332.404 2.094 10 5 EEBEHN COC[C@](C)(CCO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292841443 464359271 /nfs/dbraw/zinc/35/92/71/464359271.db2.gz PSFBBIHMVIQFJA-ZDUSSCGKSA-N 0 3 336.310 2.491 10 5 EEBEHN CCN1CCN(c2cccc(Nc3ccncc3[N+](=O)[O-])c2)CC1 ZINC000361011808 465700673 /nfs/dbraw/zinc/70/06/73/465700673.db2.gz DGLPOITXBBWNRY-UHFFFAOYSA-N 0 3 327.388 2.297 10 5 EEBEHN C[C@@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000331111931 465938426 /nfs/dbraw/zinc/93/84/26/465938426.db2.gz ISUMFUKIWAMERR-NXEZZACHSA-N 0 3 327.331 2.014 10 5 EEBEHN Cc1cc(CCN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)on1 ZINC000353980228 466298442 /nfs/dbraw/zinc/29/84/42/466298442.db2.gz ALFVBZKSJBPZLJ-LLVKDONJSA-N 0 3 332.360 2.441 10 5 EEBEHN Cn1cc(CN2CC[C@H]3COC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597231674 468488955 /nfs/dbraw/zinc/48/89/55/468488955.db2.gz PHTKTXASEJQKSV-HOCLYGCPSA-N 0 3 342.399 2.464 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000373759123 466912321 /nfs/dbraw/zinc/91/23/21/466912321.db2.gz HIMXYZYJSXMCTP-HIFRSBDPSA-N 0 3 333.388 2.094 10 5 EEBEHN COc1cc(CN(C)C(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000412101184 467009467 /nfs/dbraw/zinc/00/94/67/467009467.db2.gz UACRSAUANNZPEJ-UHFFFAOYSA-N 0 3 337.420 2.146 10 5 EEBEHN Cc1ncccc1OC[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000419406423 467195148 /nfs/dbraw/zinc/19/51/48/467195148.db2.gz WTHZEOQXTPFRGN-CQSZACIVSA-N 0 3 331.376 2.038 10 5 EEBEHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000449433989 467644715 /nfs/dbraw/zinc/64/47/15/467644715.db2.gz OSSJYPCGMWDPQM-USEVKITMSA-N 0 3 332.400 2.470 10 5 EEBEHN O=C(C1CN(C2CCCCC2)C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000457704290 467683862 /nfs/dbraw/zinc/68/38/62/467683862.db2.gz JVDNLANIXDBQFO-UHFFFAOYSA-N 0 3 344.415 2.139 10 5 EEBEHN CCN1CCN([C@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487928409 468060634 /nfs/dbraw/zinc/06/06/34/468060634.db2.gz IPQCJUFLRDRNRG-CQSZACIVSA-N 0 3 343.431 2.003 10 5 EEBEHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCC1 ZINC000600472701 468567787 /nfs/dbraw/zinc/56/77/87/468567787.db2.gz OKGOKLQQAWTIQD-AWEZNQCLSA-N 0 3 333.388 2.107 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000595381472 468833727 /nfs/dbraw/zinc/83/37/27/468833727.db2.gz LYOJJAVZMJGYHI-UHFFFAOYSA-N 0 3 343.449 2.302 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H](CCF)C1 ZINC000595755017 468991110 /nfs/dbraw/zinc/99/11/10/468991110.db2.gz DZEBXTIFKOVLCB-UONOGXRCSA-N 0 3 326.368 2.406 10 5 EEBEHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)CC3(O)CCC3)C2)cc1 ZINC000599433922 469255059 /nfs/dbraw/zinc/25/50/59/469255059.db2.gz MYUAKYAOTYQALL-NVXWUHKLSA-N 0 3 334.416 2.440 10 5 EEBEHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595257215 490677620 /nfs/dbraw/zinc/67/76/20/490677620.db2.gz IWTIVQKFYCQOPV-KRWDZBQOSA-N 0 3 341.367 2.437 10 5 EEBEHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761972738 577692545 /nfs/dbraw/zinc/69/25/45/577692545.db2.gz DUBXIQBGZVRDTF-UHFFFAOYSA-N 0 3 342.399 2.236 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914290848 683462583 /nfs/dbraw/zinc/46/25/83/683462583.db2.gz BEYRQJFLYHCDOA-HNNXBMFYSA-N 0 3 340.401 2.098 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C ZINC000925329073 692721958 /nfs/dbraw/zinc/72/19/58/692721958.db2.gz KNKLNQRILHFCFA-WBMJQRKESA-N 0 3 332.404 2.361 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1ccco1 ZINC001266629620 1177024589 /nfs/dbraw/zinc/02/45/89/1177024589.db2.gz LRIXBSKRXOVDNU-HJWRWDBZSA-N 0 3 329.356 2.449 10 5 EEBEHN Cc1cccnc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001268525999 1183179605 /nfs/dbraw/zinc/17/96/05/1183179605.db2.gz PDNAXXPNQDBNDT-IHWYPQMZSA-N 0 3 340.383 2.374 10 5 EEBEHN CC(C)n1nccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001493566931 1191544421 /nfs/dbraw/zinc/54/44/21/1191544421.db2.gz ZXHUUTQCCMDFOU-UHFFFAOYSA-N 0 3 345.403 2.234 10 5 EEBEHN COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000865784123 1198374547 /nfs/dbraw/zinc/37/45/47/1198374547.db2.gz AASDXCGBYBXLGS-JSGCOSHPSA-N 0 3 336.388 2.461 10 5 EEBEHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000874827788 1199022352 /nfs/dbraw/zinc/02/23/52/1199022352.db2.gz UDCHRVBDJIGCEV-YVSFHVDLSA-N 0 3 329.400 2.393 10 5 EEBEHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102435 1201096781 /nfs/dbraw/zinc/09/67/81/1201096781.db2.gz FCLUOOXIWLQFES-XEZPLFJOSA-N 0 3 348.399 2.194 10 5 EEBEHN CC(COC(=O)[C@H](C)Oc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813104347 1201097449 /nfs/dbraw/zinc/09/74/49/1201097449.db2.gz YUKBYWXWKKNUAT-IUCAKERBSA-N 0 3 332.150 2.425 10 5 EEBEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813109600 1201121735 /nfs/dbraw/zinc/12/17/35/1201121735.db2.gz MZAHOSYYPZLZMJ-APPZFPTMSA-N 0 3 347.293 2.117 10 5 EEBEHN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001118914539 1308958978 /nfs/dbraw/zinc/95/89/78/1308958978.db2.gz AMUJOQYBJYEWKP-HZPDHXFCSA-N 0 3 347.415 2.011 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)n1 ZINC001159070156 1319593012 /nfs/dbraw/zinc/59/30/12/1319593012.db2.gz GOGQKXKZDWJDJM-GFCCVEGCSA-N 0 3 332.404 2.245 10 5 EEBEHN CCN(CCCNC(=O)c1csnn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266069096 1323623310 /nfs/dbraw/zinc/62/33/10/1323623310.db2.gz UGIMDBFNEBFISB-UHFFFAOYSA-N 0 3 349.416 2.088 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC001351798686 1337850806 /nfs/dbraw/zinc/85/08/06/1337850806.db2.gz CJQDNQLXSNWWLU-GHMZBOCLSA-N 0 3 347.462 2.116 10 5 EEBEHN Cc1c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594215504 1349874919 /nfs/dbraw/zinc/87/49/19/1349874919.db2.gz WNGOYYOFYKXYTE-KGLIPLIRSA-N 0 3 348.359 2.120 10 5 EEBEHN CCOCCOC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644337780 1352761312 /nfs/dbraw/zinc/76/13/12/1352761312.db2.gz BWHSZHVFLXTZAB-QGZVFWFLSA-N 0 3 338.404 2.146 10 5 EEBEHN C[C@H]1[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000919803445 770298740 /nfs/dbraw/zinc/29/87/40/770298740.db2.gz SXENHAUZGXPCDN-XJKSGUPXSA-N 0 3 334.420 2.309 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCCCN2CCO)c1 ZINC000824583103 788246142 /nfs/dbraw/zinc/24/61/42/788246142.db2.gz HZNGULXJQWOCKS-AWEZNQCLSA-N 0 3 327.812 2.185 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc[nH]c1C ZINC001497367297 1102391734 /nfs/dbraw/zinc/39/17/34/1102391734.db2.gz MBLYOSUNJXQSOD-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(C2CC2)o1 ZINC001493578681 1108348411 /nfs/dbraw/zinc/34/84/11/1108348411.db2.gz NQASVGOBTLKAFG-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001468858214 1110481233 /nfs/dbraw/zinc/48/12/33/1110481233.db2.gz YLFKPEXQKYXRCV-UHFFFAOYSA-N 0 3 348.428 2.443 10 5 EEBEHN CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC001545090626 1124178966 /nfs/dbraw/zinc/17/89/66/1124178966.db2.gz JUBSXVGMVNJMKO-LBPRGKRZSA-N 0 3 325.796 2.343 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1cccnc1)C1CC1 ZINC000445814977 242133483 /nfs/dbraw/zinc/13/34/83/242133483.db2.gz FKIFMQALTHCDSB-CRAIPNDOSA-N 0 3 343.383 2.470 10 5 EEBEHN CCNC(=O)N1CC[C@@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468980464 245367573 /nfs/dbraw/zinc/36/75/73/245367573.db2.gz MHPVRNWJVUOELK-BMQCOBNYSA-N 0 3 332.404 2.392 10 5 EEBEHN C[C@@H](Cc1ccc(O)cc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552656 292219359 /nfs/dbraw/zinc/21/93/59/292219359.db2.gz HJRMWNQMQYFSQD-ZDUSSCGKSA-N 0 3 331.372 2.025 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000110085998 159356624 /nfs/dbraw/zinc/35/66/24/159356624.db2.gz KEYRSFCUBXHKGW-ZDUSSCGKSA-N 0 3 336.392 2.136 10 5 EEBEHN COc1cnccc1N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000355656239 163260957 /nfs/dbraw/zinc/26/09/57/163260957.db2.gz UXMJGTGMZWOZNK-UHFFFAOYSA-N 0 3 334.401 2.382 10 5 EEBEHN CCN1CCN(C[C@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359079011 164052701 /nfs/dbraw/zinc/05/27/01/164052701.db2.gz AJYDIPAWYMCRJD-CYBMUJFWSA-N 0 3 335.452 2.292 10 5 EEBEHN C[C@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000271874471 274162687 /nfs/dbraw/zinc/16/26/87/274162687.db2.gz STGOBFCHJIDAMZ-GFCCVEGCSA-N 0 3 343.387 2.021 10 5 EEBEHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193276220 282074792 /nfs/dbraw/zinc/07/47/92/282074792.db2.gz ANLUPDWHULCMHE-UHFFFAOYSA-N 0 3 349.840 2.352 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570929652 319711253 /nfs/dbraw/zinc/71/12/53/319711253.db2.gz MGCUVPJCNUDFTP-QGZVFWFLSA-N 0 3 341.367 2.058 10 5 EEBEHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097033115 463306959 /nfs/dbraw/zinc/30/69/59/463306959.db2.gz DDGXUNZGYOROSW-LLVKDONJSA-N 0 3 329.360 2.027 10 5 EEBEHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000125411738 463541033 /nfs/dbraw/zinc/54/10/33/463541033.db2.gz VGKIFMLGYZFNDL-ZDUSSCGKSA-N 0 3 347.375 2.177 10 5 EEBEHN COc1cc(CN[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194315306 463834853 /nfs/dbraw/zinc/83/48/53/463834853.db2.gz SRWPZKUOQMMBNZ-AEFFLSMTSA-N 0 3 346.383 2.096 10 5 EEBEHN COc1cc(CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194315260 463834946 /nfs/dbraw/zinc/83/49/46/463834946.db2.gz SRWPZKUOQMMBNZ-FUHWJXTLSA-N 0 3 346.383 2.096 10 5 EEBEHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](N(C)C)C2)cc1SC ZINC000171303094 463840912 /nfs/dbraw/zinc/84/09/12/463840912.db2.gz VXBACUHDSRBPGT-JTQLQIEISA-N 0 3 339.417 2.101 10 5 EEBEHN CCOc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171448112 463865007 /nfs/dbraw/zinc/86/50/07/463865007.db2.gz PYMAMUVHQIJBKP-CQSZACIVSA-N 0 3 333.388 2.304 10 5 EEBEHN COc1cc(N2C[C@@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000271617091 464343570 /nfs/dbraw/zinc/34/35/70/464343570.db2.gz LDDQLPJUOQZABG-GXTWGEPZSA-N 0 3 329.397 2.224 10 5 EEBEHN CCN1CC[C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294577917 464542041 /nfs/dbraw/zinc/54/20/41/464542041.db2.gz PQHFKLCYOQMBFH-CYBMUJFWSA-N 0 3 333.388 2.016 10 5 EEBEHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600008260 468434840 /nfs/dbraw/zinc/43/48/40/468434840.db2.gz LPAIKMYFAYWXPV-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN CN(C[C@H]1CCCN1C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090205 468439930 /nfs/dbraw/zinc/43/99/30/468439930.db2.gz JJBWVPZDXXYOOV-SNVBAGLBSA-N 0 3 341.799 2.388 10 5 EEBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000362406277 465713312 /nfs/dbraw/zinc/71/33/12/465713312.db2.gz AXIGEHUKZAZTMD-DYVFJYSZSA-N 0 3 346.431 2.070 10 5 EEBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362563932 465834199 /nfs/dbraw/zinc/83/41/99/465834199.db2.gz FLRJUNHKBWOIDD-MFKMUULPSA-N 0 3 347.400 2.113 10 5 EEBEHN Cc1cc(N2CCO[C@H](CN(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301998135 466075484 /nfs/dbraw/zinc/07/54/84/466075484.db2.gz IDPAAUMNYNQFJW-CYBMUJFWSA-N 0 3 330.388 2.218 10 5 EEBEHN Cn1cc(CN2C[C@H]3COC[C@@]3(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597210979 468480578 /nfs/dbraw/zinc/48/05/78/468480578.db2.gz JJDPVKIHHNAHQF-MAUKXSAKSA-N 0 3 342.399 2.464 10 5 EEBEHN CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000347020290 466327173 /nfs/dbraw/zinc/32/71/73/466327173.db2.gz UCCPYUBTWIWZDG-CQSZACIVSA-N 0 3 333.388 2.302 10 5 EEBEHN Cn1cc(CN2CC[C@@H]3COC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597231676 468488841 /nfs/dbraw/zinc/48/88/41/468488841.db2.gz PHTKTXASEJQKSV-ZBFHGGJFSA-N 0 3 342.399 2.464 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341065820 466556228 /nfs/dbraw/zinc/55/62/28/466556228.db2.gz VDTNAHOGGCSLAG-RYUDHWBXSA-N 0 3 345.403 2.464 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341074248 466562655 /nfs/dbraw/zinc/56/26/55/466562655.db2.gz WQICWTBLTDWNHJ-KBPBESRZSA-N 0 3 335.404 2.353 10 5 EEBEHN COc1cc(C[NH2+]CC2(CF)CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000449485889 467652496 /nfs/dbraw/zinc/65/24/96/467652496.db2.gz OWEPNUJMNJQHGJ-UHFFFAOYSA-N 0 3 328.340 2.165 10 5 EEBEHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000532144627 468100652 /nfs/dbraw/zinc/10/06/52/468100652.db2.gz MYXIDRKAXPQWRA-INIZCTEOSA-N 0 3 328.372 2.331 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000600744144 468646119 /nfs/dbraw/zinc/64/61/19/468646119.db2.gz KVQCNDWIRQQWOT-MCIONIFRSA-N 0 3 338.429 2.394 10 5 EEBEHN CC(C)(C)[N@@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594793960 468688263 /nfs/dbraw/zinc/68/82/63/468688263.db2.gz XLRYZYCVQQGVFN-JTQLQIEISA-N 0 3 347.462 2.055 10 5 EEBEHN CC(C)(C)[N@H+]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594793960 468688270 /nfs/dbraw/zinc/68/82/70/468688270.db2.gz XLRYZYCVQQGVFN-JTQLQIEISA-N 0 3 347.462 2.055 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595382188 468833459 /nfs/dbraw/zinc/83/34/59/468833459.db2.gz SMOOIIVZAQKJLX-UHFFFAOYSA-N 0 3 343.449 2.302 10 5 EEBEHN C[C@@H](O)CN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000593468666 468994255 /nfs/dbraw/zinc/99/42/55/468994255.db2.gz DDVVAHOTVPYUBH-CHWSQXEVSA-N 0 3 330.388 2.034 10 5 EEBEHN CN1CCC(n2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000601771996 469016492 /nfs/dbraw/zinc/01/64/92/469016492.db2.gz HOTXJDHPPZOAKG-UHFFFAOYSA-N 0 3 347.350 2.449 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)[C@@H]3CCCO3)o2)c1 ZINC000598989861 469078715 /nfs/dbraw/zinc/07/87/15/469078715.db2.gz DIJVLWCOYOUVMH-RDJZCZTQSA-N 0 3 332.356 2.484 10 5 EEBEHN Cn1nccc1[C@H](CO)N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599057199 469102329 /nfs/dbraw/zinc/10/23/29/469102329.db2.gz XZMMYXWNMATIPC-IMJJTQAJSA-N 0 3 344.415 2.363 10 5 EEBEHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H](O)CC3(O)CCC3)C2)cc1 ZINC000599433923 469254997 /nfs/dbraw/zinc/25/49/97/469254997.db2.gz MYUAKYAOTYQALL-RDJZCZTQSA-N 0 3 334.416 2.440 10 5 EEBEHN COc1cc(CN2CCC(C)(N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599622245 469313091 /nfs/dbraw/zinc/31/30/91/469313091.db2.gz JCSUOJNHUGDAOV-UHFFFAOYSA-N 0 3 349.431 2.290 10 5 EEBEHN COC1CCN(C2(CNc3ccncc3[N+](=O)[O-])CCCC2)CC1 ZINC000341108865 485642888 /nfs/dbraw/zinc/64/28/88/485642888.db2.gz SWCMIYHREHNFOG-UHFFFAOYSA-N 0 3 334.420 2.247 10 5 EEBEHN CCc1nc(C)c(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001267448961 1179029262 /nfs/dbraw/zinc/02/92/62/1179029262.db2.gz SFAJNCYXYGTUDS-UHFFFAOYSA-N 0 3 346.387 2.315 10 5 EEBEHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865899922 1198418249 /nfs/dbraw/zinc/41/82/49/1198418249.db2.gz CPTIZNBCPSBCQX-SNVBAGLBSA-N 0 3 342.346 2.089 10 5 EEBEHN CC(COC(=O)[C@@H](C)Oc1ccccc1Br)[N+](=O)[O-] ZINC000813106884 1201115842 /nfs/dbraw/zinc/11/58/42/1201115842.db2.gz JBAWBXPVSFJPPH-RKDXNWHRSA-N 0 3 332.150 2.425 10 5 EEBEHN CC(COC(=O)Cc1ccc(OCc2ccccn2)cc1)[N+](=O)[O-] ZINC000813105442 1201115933 /nfs/dbraw/zinc/11/59/33/1201115933.db2.gz MIKMZFFCDIDAQP-ZDUSSCGKSA-N 0 3 330.340 2.412 10 5 EEBEHN CCOc1cc(CN2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000930909588 1206591806 /nfs/dbraw/zinc/59/18/06/1206591806.db2.gz GQZDUUGNIGSZAF-DYEKYZERSA-N 0 3 335.404 2.468 10 5 EEBEHN CN(CCCNC(=O)Cc1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC001265043654 1322885578 /nfs/dbraw/zinc/88/55/78/1322885578.db2.gz UYBUFIBHZJHWNW-UHFFFAOYSA-N 0 3 348.428 2.232 10 5 EEBEHN CCN(CCCNC(=O)c1cncnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001266035571 1323586884 /nfs/dbraw/zinc/58/68/84/1323586884.db2.gz PAYAVNVEESBTIU-UHFFFAOYSA-N 0 3 343.387 2.027 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1cocn1 ZINC001280470801 1324241626 /nfs/dbraw/zinc/24/16/26/1324241626.db2.gz FUYIBLJBVKMULE-UHFFFAOYSA-N 0 3 330.344 2.025 10 5 EEBEHN Cc1conc1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001280524490 1324275334 /nfs/dbraw/zinc/27/53/34/1324275334.db2.gz CXALNAVQWBVYIE-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN CC([C@H](OC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1F)[N+](=O)[O-] ZINC001344013396 1337361403 /nfs/dbraw/zinc/36/14/03/1337361403.db2.gz RNPXYRAVEQRDRH-CLFMCHSESA-N 0 3 335.331 2.499 10 5 EEBEHN Cc1cc(C)nc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001664036677 1355079414 /nfs/dbraw/zinc/07/94/14/1355079414.db2.gz QDUGHMQUUUAAQF-UHFFFAOYSA-N 0 3 342.399 2.468 10 5 EEBEHN COCCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)C1 ZINC000844432594 789120007 /nfs/dbraw/zinc/12/00/07/789120007.db2.gz WJTRJZKQYGHOJZ-UHFFFAOYSA-N 0 3 325.384 2.277 10 5 EEBEHN Cc1ncoc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001479763792 1098926529 /nfs/dbraw/zinc/92/65/29/1098926529.db2.gz NNFZKZLICRRSLD-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN CC(C)(N)c1cn(-c2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000070117737 202308479 /nfs/dbraw/zinc/30/84/79/202308479.db2.gz VJTFHKVROYPDMU-UHFFFAOYSA-N 0 3 326.154 2.132 10 5 EEBEHN CC(C)(N)c1cn(Cc2ccc([N+](=O)[O-])cc2Br)nn1 ZINC000070117850 202307964 /nfs/dbraw/zinc/30/79/64/202307964.db2.gz UJYAOSQTYIRVGZ-UHFFFAOYSA-N 0 3 340.181 2.191 10 5 EEBEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000246774225 243312004 /nfs/dbraw/zinc/31/20/04/243312004.db2.gz AYOMCBVWTGVRHT-WFASDCNBSA-N 0 3 343.387 2.313 10 5 EEBEHN COc1cc(CN[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000077423141 203387012 /nfs/dbraw/zinc/38/70/12/203387012.db2.gz GPZYNPJHMYUCEW-BDAKNGLRSA-N 0 3 334.319 2.311 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000156502840 206083362 /nfs/dbraw/zinc/08/33/62/206083362.db2.gz CVKMQGQRNBZVST-AWEZNQCLSA-N 0 3 334.420 2.311 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000176285980 207211408 /nfs/dbraw/zinc/21/14/08/207211408.db2.gz JPGNGFXZTVIRJQ-JKSUJKDBSA-N 0 3 330.388 2.379 10 5 EEBEHN Cc1sc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267093487 256026434 /nfs/dbraw/zinc/02/64/34/256026434.db2.gz IYUXIOPVBAKTFM-CYBMUJFWSA-N 0 3 329.447 2.132 10 5 EEBEHN CN(C)C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000123672339 159461307 /nfs/dbraw/zinc/46/13/07/159461307.db2.gz GMVIJGNYHYSRQP-MRXNPFEDSA-N 0 3 342.399 2.426 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191875193 160162920 /nfs/dbraw/zinc/16/29/20/160162920.db2.gz JYWRIFNWBWHQGZ-CYBMUJFWSA-N 0 3 343.449 2.220 10 5 EEBEHN CN1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359038366 164042760 /nfs/dbraw/zinc/04/27/60/164042760.db2.gz HFNIJEQOAITBPO-SNVBAGLBSA-N 0 3 329.303 2.020 10 5 EEBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)CN1CCO ZINC000419010698 274364348 /nfs/dbraw/zinc/36/43/48/274364348.db2.gz YNAGIRDHYJKEMR-CHWSQXEVSA-N 0 3 330.388 2.034 10 5 EEBEHN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC)CC1 ZINC000291060692 275266082 /nfs/dbraw/zinc/26/60/82/275266082.db2.gz RISXMANSUOPMSQ-UHFFFAOYSA-N 0 3 344.419 2.405 10 5 EEBEHN O=C(NCc1ccccc1CN1CCCCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000159200347 311338150 /nfs/dbraw/zinc/33/81/50/311338150.db2.gz BXRYNZDJMUACCS-UHFFFAOYSA-N 0 3 343.387 2.234 10 5 EEBEHN CNC(=O)[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421370561 314093248 /nfs/dbraw/zinc/09/32/48/314093248.db2.gz BVVBFOSILRJDDT-ZDUSSCGKSA-N 0 3 329.356 2.423 10 5 EEBEHN Cc1cc(C)c(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000575105840 320086988 /nfs/dbraw/zinc/08/69/88/320086988.db2.gz URGBORYWTDSIIA-UHFFFAOYSA-N 0 3 344.371 2.431 10 5 EEBEHN CN(C)CCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600795481 449548964 /nfs/dbraw/zinc/54/89/64/449548964.db2.gz XVWBDFLOROUMTC-UHFFFAOYSA-N 0 3 330.388 2.165 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000590659189 468298110 /nfs/dbraw/zinc/29/81/10/468298110.db2.gz YVIWFSMSTPNJJD-NVXWUHKLSA-N 0 3 348.399 2.268 10 5 EEBEHN Cn1cc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000131393347 462807711 /nfs/dbraw/zinc/80/77/11/462807711.db2.gz MUTJIINCEMQPMU-UHFFFAOYSA-N 0 3 326.303 2.262 10 5 EEBEHN Cc1ccc(NCCCNC(=O)N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000121377391 463126063 /nfs/dbraw/zinc/12/60/63/463126063.db2.gz RMOIDPKIRDKJRS-CQSZACIVSA-N 0 3 349.435 2.051 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123005901 463308544 /nfs/dbraw/zinc/30/85/44/463308544.db2.gz BLXZPBLWLPQATP-KGLIPLIRSA-N 0 3 335.404 2.305 10 5 EEBEHN COc1ccc(OCCN(C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185324019 463801286 /nfs/dbraw/zinc/80/12/86/463801286.db2.gz RVBFYQHMILDBJF-ZDUSSCGKSA-N 0 3 326.393 2.321 10 5 EEBEHN Cc1c(NC(=O)[C@@H](C)N2CCN3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000178633561 463934127 /nfs/dbraw/zinc/93/41/27/463934127.db2.gz ZKNXSNUBVSHAOY-ZIAGYGMSSA-N 0 3 332.404 2.010 10 5 EEBEHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000347951925 465330578 /nfs/dbraw/zinc/33/05/78/465330578.db2.gz QFIQSQMLOUTRFC-KRWDZBQOSA-N 0 3 346.431 2.340 10 5 EEBEHN COc1cc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000339762234 465496534 /nfs/dbraw/zinc/49/65/34/465496534.db2.gz TYKVJBOSUQTRLJ-IRXDYDNUSA-N 0 3 336.388 2.013 10 5 EEBEHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416382362 466731197 /nfs/dbraw/zinc/73/11/97/466731197.db2.gz DUKOIGLGUYSPEC-CYBMUJFWSA-N 0 3 343.449 2.220 10 5 EEBEHN CC[C@@H](NC(=O)NCCNc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000493134407 467847503 /nfs/dbraw/zinc/84/75/03/467847503.db2.gz SQPVWKJBKIZOFX-MRXNPFEDSA-N 0 3 343.387 2.274 10 5 EEBEHN NC[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594524424 468615658 /nfs/dbraw/zinc/61/56/58/468615658.db2.gz JPQCRFBUIAEKLK-GFCCVEGCSA-N 0 3 348.325 2.106 10 5 EEBEHN CC(=O)NCCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131325 468633094 /nfs/dbraw/zinc/63/30/94/468633094.db2.gz XTSYBKXYEKKDFS-QAQDUYKDSA-N 0 3 349.431 2.227 10 5 EEBEHN O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000601140429 468757835 /nfs/dbraw/zinc/75/78/35/468757835.db2.gz YRZABWKODNCSKV-HNNXBMFYSA-N 0 3 346.362 2.308 10 5 EEBEHN C[C@@H]1C[C@H](N2CCCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165038 468767192 /nfs/dbraw/zinc/76/71/92/468767192.db2.gz JDHDFVJWGTWKGB-ZJUUUORDSA-N 0 3 347.341 2.410 10 5 EEBEHN O=C(C[C@H]1NCc2ccccc21)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595917103 469082888 /nfs/dbraw/zinc/08/28/88/469082888.db2.gz XIYFRLFECFPPTL-QGZVFWFLSA-N 0 3 340.383 2.358 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@@H]2CCCN2CCCO)ccc2cnccc21 ZINC000599086317 469113055 /nfs/dbraw/zinc/11/30/55/469113055.db2.gz JKQBMKBXYFUBSB-AWEZNQCLSA-N 0 3 330.388 2.402 10 5 EEBEHN COC(=O)c1cnc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164012 469143878 /nfs/dbraw/zinc/14/38/78/469143878.db2.gz HQJYYFMAVKDYEC-ZDUSSCGKSA-N 0 3 334.376 2.205 10 5 EEBEHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCN(C2CC2)C1 ZINC000611268892 469215132 /nfs/dbraw/zinc/21/51/32/469215132.db2.gz YDSSACFBVCFGFR-CQSZACIVSA-N 0 3 333.388 2.035 10 5 EEBEHN CC(COC(=O)c1csc(I)c1)[N+](=O)[O-] ZINC000813101597 675677288 /nfs/dbraw/zinc/67/72/88/675677288.db2.gz DVPQTDJVIVFTQY-RXMQYKEDSA-N 0 3 341.126 2.175 10 5 EEBEHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1SC ZINC000928450686 683206337 /nfs/dbraw/zinc/20/63/37/683206337.db2.gz UTNIJEILHDZGNI-KOLCDFICSA-N 0 3 339.417 2.148 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1coc(C2CC2)n1 ZINC001481288683 1180878969 /nfs/dbraw/zinc/87/89/69/1180878969.db2.gz GKZIPCAIDLNFRE-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000120710303 1198343626 /nfs/dbraw/zinc/34/36/26/1198343626.db2.gz VHIJSHDWPHWIMN-LLVKDONJSA-N 0 3 347.412 2.051 10 5 EEBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC(F)F ZINC000813108456 1201120373 /nfs/dbraw/zinc/12/03/73/1201120373.db2.gz YOKPTZAUJVLXBV-ZETCQYMHSA-N 0 3 335.259 2.127 10 5 EEBEHN Cn1ncc(C(F)(F)F)c1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000850125622 1277046259 /nfs/dbraw/zinc/04/62/59/1277046259.db2.gz ITKMXVYZSZKTDV-ZDUSSCGKSA-N 0 3 344.293 2.170 10 5 EEBEHN O=C(NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)F ZINC001490360685 1291300248 /nfs/dbraw/zinc/30/02/48/1291300248.db2.gz DTVWIPSQPDUVNZ-UHFFFAOYSA-N 0 3 327.331 2.331 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cncs1 ZINC001320691914 1332936225 /nfs/dbraw/zinc/93/62/25/1332936225.db2.gz JMSSZUWLVISRRT-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(CO)CC[C@H](C)c2ccccc21 ZINC001620670128 1352361774 /nfs/dbraw/zinc/36/17/74/1352361774.db2.gz HUZXAUCCMFMOMQ-SCLBCKFNSA-N 0 3 344.415 2.474 10 5 EEBEHN CC(C)(C)OCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001565840913 1342567855 /nfs/dbraw/zinc/56/78/55/1342567855.db2.gz ODOAZYMVGFGQBW-OTVXOJSOSA-N 0 3 349.431 2.394 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@H](C)N1 ZINC001630405820 1352568698 /nfs/dbraw/zinc/56/86/98/1352568698.db2.gz CBWQPBPAWSFVNI-JGVFFNPUSA-N 0 3 344.774 2.182 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccoc1 ZINC001668412521 1355936475 /nfs/dbraw/zinc/93/64/75/1355936475.db2.gz VKMBYFLJVQFQLX-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913815951 794320313 /nfs/dbraw/zinc/32/03/13/794320313.db2.gz VZEMXENZGPNFNE-NEPJUHHUSA-N 0 3 338.795 2.139 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC001497591752 1102714422 /nfs/dbraw/zinc/71/44/22/1102714422.db2.gz VHALDRQQRHANLY-OWOJBTEDSA-N 0 3 332.385 2.127 10 5 EEBEHN CN(CCCN(C)C(=O)Cc1ccon1)Cc1cccc([N+](=O)[O-])c1 ZINC001502168085 1113624753 /nfs/dbraw/zinc/62/47/53/1113624753.db2.gz ISBVULLYIHBHDA-UHFFFAOYSA-N 0 3 346.387 2.106 10 5 EEBEHN CN(C)[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 ZINC000447675052 242301388 /nfs/dbraw/zinc/30/13/88/242301388.db2.gz JUUKTLDTJMJMEO-OAHLLOKOSA-N 0 3 339.399 2.478 10 5 EEBEHN NCc1cccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000071700637 203104239 /nfs/dbraw/zinc/10/42/39/203104239.db2.gz CZPDZMWPCJPFFC-UHFFFAOYSA-N 0 3 329.312 2.077 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@](O)(CO)C3)o2)cc1 ZINC000459717914 245221376 /nfs/dbraw/zinc/22/13/76/245221376.db2.gz MOZMYDITIKKXDN-KRWDZBQOSA-N 0 3 332.356 2.174 10 5 EEBEHN CC(C)NC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246401 207001856 /nfs/dbraw/zinc/00/18/56/207001856.db2.gz RJKQGWWXLQYMPR-UHFFFAOYSA-N 0 3 335.404 2.353 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177714268 207381799 /nfs/dbraw/zinc/38/17/99/207381799.db2.gz FZOCDFCGBBRDTF-UONOGXRCSA-N 0 3 334.420 2.338 10 5 EEBEHN CN(C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000268646944 289211641 /nfs/dbraw/zinc/21/16/41/289211641.db2.gz SYOZJCLDMWSLMJ-SECBINFHSA-N 0 3 329.198 2.283 10 5 EEBEHN C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000066333738 158998592 /nfs/dbraw/zinc/99/85/92/158998592.db2.gz OFWPTWWAIQZYAW-NSHDSACASA-N 0 3 347.462 2.057 10 5 EEBEHN Cc1cc(C)cc([C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000248441040 160346370 /nfs/dbraw/zinc/34/63/70/160346370.db2.gz DLOHQXLUIZFUEJ-CRAIPNDOSA-N 0 3 344.415 2.259 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000342438700 161065626 /nfs/dbraw/zinc/06/56/26/161065626.db2.gz PFSHCQDDIBGLSG-MNOVXSKESA-N 0 3 341.358 2.357 10 5 EEBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)NCc1ccco1 ZINC000128202337 462619119 /nfs/dbraw/zinc/61/91/19/462619119.db2.gz DBSACQOUKRIQPI-CYBMUJFWSA-N 0 3 331.372 2.415 10 5 EEBEHN CCO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000090554588 462797737 /nfs/dbraw/zinc/79/77/37/462797737.db2.gz SMEUUTOAMLOLON-CVEARBPZSA-N 0 3 349.431 2.426 10 5 EEBEHN CCO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000090554585 462797830 /nfs/dbraw/zinc/79/78/30/462797830.db2.gz SMEUUTOAMLOLON-JKSUJKDBSA-N 0 3 349.431 2.426 10 5 EEBEHN C[C@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C(C)(C)CN(C)C ZINC000125487903 463549492 /nfs/dbraw/zinc/54/94/92/463549492.db2.gz ITZSSQBKHHOITL-NSHDSACASA-N 0 3 343.449 2.387 10 5 EEBEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000247522076 464690407 /nfs/dbraw/zinc/69/04/07/464690407.db2.gz WVZMDKRMINSVQK-DOMZBBRYSA-N 0 3 343.387 2.313 10 5 EEBEHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCN(C2CC2)C1 ZINC000340147276 465814647 /nfs/dbraw/zinc/81/46/47/465814647.db2.gz JXDGQRKWBOGESS-OAHLLOKOSA-N 0 3 342.399 2.314 10 5 EEBEHN CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000349799903 466246223 /nfs/dbraw/zinc/24/62/23/466246223.db2.gz JNKFQMVHNCOJEH-MRXNPFEDSA-N 0 3 332.404 2.015 10 5 EEBEHN CCN1CCN(CC(C)(C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450924109 467207636 /nfs/dbraw/zinc/20/76/36/467207636.db2.gz SOSXPVQRZRODCF-UHFFFAOYSA-N 0 3 346.435 2.299 10 5 EEBEHN CC[C@H](CO)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450364625 467835970 /nfs/dbraw/zinc/83/59/70/467835970.db2.gz YZGGIEFOANAQHJ-CYBMUJFWSA-N 0 3 330.388 2.036 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN[C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592178389 468647101 /nfs/dbraw/zinc/64/71/01/468647101.db2.gz ZZUGERFLFAWXFM-QGZVFWFLSA-N 0 3 342.399 2.451 10 5 EEBEHN COc1cc(CNCC(O)(C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000594985209 468737877 /nfs/dbraw/zinc/73/78/77/468737877.db2.gz ZFHGKUWTAQCFEF-UHFFFAOYSA-N 0 3 336.388 2.253 10 5 EEBEHN COc1cc(CNCCc2cncc(C)n2)c([N+](=O)[O-])cc1OC ZINC000594988991 468739344 /nfs/dbraw/zinc/73/93/44/468739344.db2.gz SVEJLEYZNZZXTH-UHFFFAOYSA-N 0 3 332.360 2.043 10 5 EEBEHN C[C@H]1CCCN(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601104943 468742480 /nfs/dbraw/zinc/74/24/80/468742480.db2.gz NQZBHTCBHWUPPO-VIFPVBQESA-N 0 3 335.330 2.491 10 5 EEBEHN C[C@H]1C[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN1C ZINC000601119689 468749214 /nfs/dbraw/zinc/74/92/14/468749214.db2.gz VPGXXZXOMFFWQJ-DTWKUNHWSA-N 0 3 335.330 2.266 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000601131425 468755383 /nfs/dbraw/zinc/75/53/83/468755383.db2.gz KBPPLOSGJVVXCN-VHSXEESVSA-N 0 3 347.341 2.268 10 5 EEBEHN CCN1C[C@@H](C)N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000593021162 468842019 /nfs/dbraw/zinc/84/20/19/468842019.db2.gz SJJFWJIXFXNSIZ-CHWSQXEVSA-N 0 3 335.404 2.296 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@]2(CC2(F)F)C1 ZINC000593119127 468878142 /nfs/dbraw/zinc/87/81/42/468878142.db2.gz UTEQTHDDBHSTKE-FZMZJTMJSA-N 0 3 328.315 2.066 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598597889 468927277 /nfs/dbraw/zinc/92/72/77/468927277.db2.gz WDIHDUNAMIIHCO-GFCCVEGCSA-N 0 3 343.449 2.220 10 5 EEBEHN COC(=O)c1ccnc(NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000598596648 468927607 /nfs/dbraw/zinc/92/76/07/468927607.db2.gz RCGJZLPABVHSAC-VXGBXAGGSA-N 0 3 336.392 2.451 10 5 EEBEHN CC[C@H](CO)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593463856 468992126 /nfs/dbraw/zinc/99/21/26/468992126.db2.gz AHUPLTSJMRIAFO-CYBMUJFWSA-N 0 3 330.388 2.036 10 5 EEBEHN Cc1noc([C@@H]2OCC[C@@H]2NC/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000599020803 469090734 /nfs/dbraw/zinc/09/07/34/469090734.db2.gz OMXHKUVOVCQDGV-OZQCQIJRSA-N 0 3 330.344 2.419 10 5 EEBEHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H](O)CC3(O)CCC3)C2)cc1 ZINC000599433924 469254866 /nfs/dbraw/zinc/25/48/66/469254866.db2.gz MYUAKYAOTYQALL-WBVHZDCISA-N 0 3 334.416 2.440 10 5 EEBEHN COc1cc(CN2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000611516371 469270858 /nfs/dbraw/zinc/27/08/58/469270858.db2.gz MEAZNOPXABMSAJ-UHFFFAOYSA-N 0 3 328.372 2.321 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CC1)c1ccccc1O ZINC001483717170 1190809235 /nfs/dbraw/zinc/80/92/35/1190809235.db2.gz XDIFZOZPCFLUDV-UHFFFAOYSA-N 0 3 341.367 2.353 10 5 EEBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1CCOCC1 ZINC001273032519 1194339135 /nfs/dbraw/zinc/33/91/35/1194339135.db2.gz UFGDTYGBOYJIAH-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN C[C@H](N[C@H]1CCN(CC(C)(C)O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872092314 1198045065 /nfs/dbraw/zinc/04/50/65/1198045065.db2.gz OCUWHHDEVCZSAQ-RYUDHWBXSA-N 0 3 325.384 2.230 10 5 EEBEHN CC(COC(=O)Cc1ccccc1I)[N+](=O)[O-] ZINC000813107038 1201116177 /nfs/dbraw/zinc/11/61/77/1201116177.db2.gz KRJXKPWJJMWPIB-QMMMGPOBSA-N 0 3 349.124 2.042 10 5 EEBEHN COc1ccc(Br)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813108594 1201120570 /nfs/dbraw/zinc/12/05/70/1201120570.db2.gz IADXVDXUUWZGKL-QMMMGPOBSA-N 0 3 332.150 2.209 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000928450360 1206386108 /nfs/dbraw/zinc/38/61/08/1206386108.db2.gz IANPJWABISQSLE-IUODEOHRSA-N 0 3 332.404 2.017 10 5 EEBEHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000861345152 1295349836 /nfs/dbraw/zinc/34/98/36/1295349836.db2.gz ZLSBKKPSGAASKX-PXAZEXFGSA-N 0 3 347.371 2.342 10 5 EEBEHN O=[N+]([O-])c1ccc(CNCC[C@@H]2CCCS2(=O)=O)cc1Cl ZINC001353605250 1338302505 /nfs/dbraw/zinc/30/25/05/1338302505.db2.gz JJLNVOKASHUNFE-NSHDSACASA-N 0 3 332.809 2.305 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)COC1CCCC1 ZINC001567469693 1342765727 /nfs/dbraw/zinc/76/57/27/1342765727.db2.gz WLQIDZISVFODOJ-UHFFFAOYSA-N 0 3 335.404 2.102 10 5 EEBEHN CCC(=O)NC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001620582318 1344479437 /nfs/dbraw/zinc/47/94/37/1344479437.db2.gz GHNBPLJMQAQLKO-UHFFFAOYSA-N 0 3 335.404 2.354 10 5 EEBEHN CN1CCCC[C@@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001643274300 1352745035 /nfs/dbraw/zinc/74/50/35/1352745035.db2.gz BJMICBSGNJCUJX-GFCCVEGCSA-N 0 3 345.359 2.369 10 5 EEBEHN COC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]3CCCCN32)cc([N+](=O)[O-])c1 ZINC001136960407 788354376 /nfs/dbraw/zinc/35/43/76/788354376.db2.gz ULNZJXTWVNDFQK-HIFRSBDPSA-N 0 3 347.371 2.337 10 5 EEBEHN COc1cc(C[NH+](C)C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001451096862 1095772479 /nfs/dbraw/zinc/77/24/79/1095772479.db2.gz VBQNEUMYRYRNLC-UHFFFAOYSA-N 0 3 346.343 2.018 10 5 EEBEHN CN1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C(C)(C)C1 ZINC001472029717 1110539383 /nfs/dbraw/zinc/53/93/83/1110539383.db2.gz VAANTTKSNYRLTN-HNNXBMFYSA-N 0 3 331.416 2.473 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cn1 ZINC001568736938 1124750978 /nfs/dbraw/zinc/75/09/78/1124750978.db2.gz LSOQWYHUQMIENT-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN C[C@@H](O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128611987 205152895 /nfs/dbraw/zinc/15/28/95/205152895.db2.gz KCRZMMLWKDKCNP-LLVKDONJSA-N 0 3 339.367 2.155 10 5 EEBEHN CCOC(=O)c1ccnc(N[C@H]2CN(C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000129723415 205208989 /nfs/dbraw/zinc/20/89/89/205208989.db2.gz WWXIZAOWHDUULI-AAEUAGOBSA-N 0 3 336.392 2.307 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000174255447 207004183 /nfs/dbraw/zinc/00/41/83/207004183.db2.gz YHFXIGPFELSZAC-CJNGLKHVSA-N 0 3 334.420 2.261 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094120871 159243097 /nfs/dbraw/zinc/24/30/97/159243097.db2.gz WXRGVUQOAAWKNK-OAHLLOKOSA-N 0 3 349.431 2.361 10 5 EEBEHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000246294370 160272126 /nfs/dbraw/zinc/27/21/26/160272126.db2.gz NMPHWZDWPWLMPN-XJKSGUPXSA-N 0 3 346.431 2.217 10 5 EEBEHN COc1cc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000352781133 162284092 /nfs/dbraw/zinc/28/40/92/162284092.db2.gz XOSRBKMBRQARQJ-KBPBESRZSA-N 0 3 333.388 2.094 10 5 EEBEHN Cc1cc(N2CCC[C@H](NCc3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000277739173 269177159 /nfs/dbraw/zinc/17/71/59/269177159.db2.gz PNFQLJRCVOINTF-HNNXBMFYSA-N 0 3 329.404 2.395 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)c1 ZINC000302061932 274004441 /nfs/dbraw/zinc/00/44/41/274004441.db2.gz BVOYBZSRULFGTP-UHFFFAOYSA-N 0 3 333.388 2.446 10 5 EEBEHN COc1cc(CNC[C@@H](N)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414842227 313100914 /nfs/dbraw/zinc/10/09/14/313100914.db2.gz YTZPJELXPUWJIQ-CQSZACIVSA-N 0 3 331.372 2.402 10 5 EEBEHN CCOc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000121118045 463082111 /nfs/dbraw/zinc/08/21/11/463082111.db2.gz MYIVMQJVZDYPOA-JSGCOSHPSA-N 0 3 335.404 2.406 10 5 EEBEHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](N2CCCC2)C1 ZINC000171454339 463867573 /nfs/dbraw/zinc/86/75/73/463867573.db2.gz HQDYVWMWEDRQIP-CYBMUJFWSA-N 0 3 328.372 2.386 10 5 EEBEHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000180226018 464269146 /nfs/dbraw/zinc/26/91/46/464269146.db2.gz OCIFGQXEWAUHRW-VVEVLUTRSA-N 0 3 331.416 2.261 10 5 EEBEHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000271691394 464360242 /nfs/dbraw/zinc/36/02/42/464360242.db2.gz KIRPIGZSNDRNJV-LBPRGKRZSA-N 0 3 349.412 2.136 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000265919138 464734084 /nfs/dbraw/zinc/73/40/84/464734084.db2.gz BRQBOXUXZWSWRU-ZFWWWQNUSA-N 0 3 344.415 2.491 10 5 EEBEHN COCCCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183294381 464844983 /nfs/dbraw/zinc/84/49/83/464844983.db2.gz SWTMVBYKRZSPNR-UHFFFAOYSA-N 0 3 349.431 2.268 10 5 EEBEHN CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](CC)CN1CC(C)(C)O ZINC000252539886 464982698 /nfs/dbraw/zinc/98/26/98/464982698.db2.gz OQAMNCASRFQGEC-KBPBESRZSA-N 0 3 336.436 2.440 10 5 EEBEHN C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN1C ZINC000597103984 468444034 /nfs/dbraw/zinc/44/40/34/468444034.db2.gz OPEOSWQUBVFERR-WCBMZHEXSA-N 0 3 341.799 2.435 10 5 EEBEHN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000594040165 468469129 /nfs/dbraw/zinc/46/91/29/468469129.db2.gz DWHRHFNREPSOIE-RDJZCZTQSA-N 0 3 347.415 2.421 10 5 EEBEHN O=C([C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000349343241 466074537 /nfs/dbraw/zinc/07/45/37/466074537.db2.gz CELMDIBHUGNQSY-OAHLLOKOSA-N 0 3 347.415 2.308 10 5 EEBEHN C[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000353945969 466272997 /nfs/dbraw/zinc/27/29/97/466272997.db2.gz DARBYWGRNXWQEN-SWLSCSKDSA-N 0 3 341.433 2.060 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN(CCN1CCOCC1)CC1CC1 ZINC000597223861 468485617 /nfs/dbraw/zinc/48/56/17/468485617.db2.gz VOMHYENXGCGFJS-UHFFFAOYSA-N 0 3 333.432 2.447 10 5 EEBEHN CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)[C@@H]1CCN(C2CC2)C1 ZINC000350093682 466383659 /nfs/dbraw/zinc/38/36/59/466383659.db2.gz GMOMKQYQUOMCJS-OAHLLOKOSA-N 0 3 342.403 2.063 10 5 EEBEHN O=C(N[C@@H]1CCN(C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601016261 468719584 /nfs/dbraw/zinc/71/95/84/468719584.db2.gz IQPWSNFSRQPPDK-CQSZACIVSA-N 0 3 329.400 2.369 10 5 EEBEHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C)C1 ZINC000597946344 468721177 /nfs/dbraw/zinc/72/11/77/468721177.db2.gz OTRNJMPEIOKDSI-ZDUSSCGKSA-N 0 3 325.796 2.343 10 5 EEBEHN CC[C@H](NC(=O)c1cnn(CCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000601281261 468809157 /nfs/dbraw/zinc/80/91/57/468809157.db2.gz MHKHLTLIMNJUNQ-INIZCTEOSA-N 0 3 345.403 2.234 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595659861 468943227 /nfs/dbraw/zinc/94/32/27/468943227.db2.gz BGPHFVSUPVHDOR-OAHLLOKOSA-N 0 3 349.435 2.179 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)[C@@H]2CCCO2)o1 ZINC000598990690 469078762 /nfs/dbraw/zinc/07/87/62/469078762.db2.gz QOCUNUCZEJITGV-WBVHZDCISA-N 0 3 332.356 2.484 10 5 EEBEHN COC(=O)c1cnc(NC[C@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164011 469143634 /nfs/dbraw/zinc/14/36/34/469143634.db2.gz HQJYYFMAVKDYEC-CYBMUJFWSA-N 0 3 334.376 2.205 10 5 EEBEHN CC1(C)CCC[C@@](CO)(NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599593987 469302635 /nfs/dbraw/zinc/30/26/35/469302635.db2.gz JDNRFGRTKSLKSN-QGZVFWFLSA-N 0 3 335.404 2.454 10 5 EEBEHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599654358 469327082 /nfs/dbraw/zinc/32/70/82/469327082.db2.gz ZSACRGWUPRBNEF-DKTWLAJQSA-N 0 3 331.294 2.309 10 5 EEBEHN CN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599829703 469385279 /nfs/dbraw/zinc/38/52/79/469385279.db2.gz CFXBYTRJWWVXAT-UHFFFAOYSA-N 0 3 329.360 2.359 10 5 EEBEHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1SC ZINC000928450687 683206364 /nfs/dbraw/zinc/20/63/64/683206364.db2.gz UTNIJEILHDZGNI-MWLCHTKSSA-N 0 3 339.417 2.148 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825708359 1198773231 /nfs/dbraw/zinc/77/32/31/1198773231.db2.gz GNLMYZLLDFFMPB-LBPRGKRZSA-N 0 3 341.795 2.089 10 5 EEBEHN O=C(CN[C@@H]1CCC[C@]12CCCO2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880506019 1201506921 /nfs/dbraw/zinc/50/69/21/1201506921.db2.gz HYXPWGLJOBFCKV-AEFFLSMTSA-N 0 3 345.399 2.175 10 5 EEBEHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(N)C(F)(F)F ZINC000826651630 1204663854 /nfs/dbraw/zinc/66/38/54/1204663854.db2.gz BKNVGRGLPLSECH-SECBINFHSA-N 0 3 325.674 2.096 10 5 EEBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[S@@](=O)CC(F)(F)F ZINC000850495312 1277245763 /nfs/dbraw/zinc/24/57/63/1277245763.db2.gz ZRNZVCHYGWAVIT-KPWVOAKYSA-N 0 3 336.335 2.483 10 5 EEBEHN CC(C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])CS(C)(=O)=O ZINC000926954941 1296968144 /nfs/dbraw/zinc/96/81/44/1296968144.db2.gz ISPACDCQCGWVED-CYBMUJFWSA-N 0 3 326.418 2.243 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1=COCCC1 ZINC001322442348 1333264219 /nfs/dbraw/zinc/26/42/19/1333264219.db2.gz YEGLGNLWQFGKEF-UHFFFAOYSA-N 0 3 333.388 2.227 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCOCC1 ZINC001322737498 1333317398 /nfs/dbraw/zinc/31/73/98/1333317398.db2.gz GFRPQNXRBALUPF-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN C/C=C(/C)C(=O)N1CCC(O)(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001328155328 1334406883 /nfs/dbraw/zinc/40/68/83/1334406883.db2.gz XGDCZQUPALZOEW-BNNQUZSASA-N 0 3 347.415 2.004 10 5 EEBEHN CN(CCCNC(=O)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001660341202 1354444028 /nfs/dbraw/zinc/44/40/28/1354444028.db2.gz GCMSJTIPOIIQKI-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)COC(C)(C)C ZINC001668408952 1355935501 /nfs/dbraw/zinc/93/55/01/1355935501.db2.gz IRUCFUOQOIQVRA-UHFFFAOYSA-N 0 3 337.420 2.348 10 5 EEBEHN CC(C)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001699881426 1405547941 /nfs/dbraw/zinc/54/79/41/1405547941.db2.gz NVYXEOIFPPYRGG-UHFFFAOYSA-N 0 3 335.404 2.006 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000921419982 773349039 /nfs/dbraw/zinc/34/90/39/773349039.db2.gz QNRMHCJZAWMAGA-NOZJJQNGSA-N 0 3 326.784 2.140 10 5 EEBEHN COC(=O)c1cc(NC(=O)[C@H]2CC[C@@H]3CCCCN23)cc([N+](=O)[O-])c1 ZINC001136960406 788354187 /nfs/dbraw/zinc/35/41/87/788354187.db2.gz ULNZJXTWVNDFQK-DZGCQCFKSA-N 0 3 347.371 2.337 10 5 EEBEHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471841470 1110533106 /nfs/dbraw/zinc/53/31/06/1110533106.db2.gz ISVYDFCYWCGGGC-UHFFFAOYSA-N 0 3 329.316 2.378 10 5 EEBEHN Cc1c(CNCCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000446797432 242222796 /nfs/dbraw/zinc/22/27/96/242222796.db2.gz QSGWETDVWRCYFE-UHFFFAOYSA-N 0 3 339.351 2.289 10 5 EEBEHN CN(C)CCN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000071903983 203145222 /nfs/dbraw/zinc/14/52/22/203145222.db2.gz NTPHOOJZEXVNLQ-UHFFFAOYSA-N 0 3 346.362 2.333 10 5 EEBEHN Cc1c(CN2CCC(c3ccnn3CCO)CC2)cccc1[N+](=O)[O-] ZINC000195509683 140880555 /nfs/dbraw/zinc/88/05/55/140880555.db2.gz XYPQITUCQSJMJM-UHFFFAOYSA-N 0 3 344.415 2.472 10 5 EEBEHN CN1CCC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000125347491 292295708 /nfs/dbraw/zinc/29/57/08/292295708.db2.gz WSPTVWGGYZXCQV-CYBMUJFWSA-N 0 3 332.404 2.004 10 5 EEBEHN COc1cc(C(=O)NCc2ccc3c(c2)CNC3)ccc1[N+](=O)[O-] ZINC000188761541 160128026 /nfs/dbraw/zinc/12/80/26/160128026.db2.gz DZHXQWCXRKXGJU-UHFFFAOYSA-N 0 3 327.340 2.137 10 5 EEBEHN CN1CCC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000245909117 160256548 /nfs/dbraw/zinc/25/65/48/160256548.db2.gz VFDRWSLZKRNIRW-YGRLFVJLSA-N 0 3 349.416 2.192 10 5 EEBEHN CC[C@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000343250070 161116903 /nfs/dbraw/zinc/11/69/03/161116903.db2.gz LWFWMRNTLIUONA-GWCFXTLKSA-N 0 3 347.375 2.223 10 5 EEBEHN COc1cc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000344814430 161247835 /nfs/dbraw/zinc/24/78/35/161247835.db2.gz PFFFVBFMUKPAEK-GFCCVEGCSA-N 0 3 338.282 2.366 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](NC[C@@]2(O)CCOC2)c2ccccc2)c1 ZINC000352907639 162340562 /nfs/dbraw/zinc/34/05/62/162340562.db2.gz HHJITKQJRJBYMN-ROUUACIJSA-N 0 3 328.368 2.425 10 5 EEBEHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000419010700 274348877 /nfs/dbraw/zinc/34/88/77/274348877.db2.gz YNAGIRDHYJKEMR-QWHCGFSZSA-N 0 3 330.388 2.034 10 5 EEBEHN COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCO1 ZINC000541773323 318109156 /nfs/dbraw/zinc/10/91/56/318109156.db2.gz WHVDYJACCKCJLC-MRXNPFEDSA-N 0 3 336.388 2.447 10 5 EEBEHN CC(C)c1ccc(CNCC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000086250703 462569084 /nfs/dbraw/zinc/56/90/84/462569084.db2.gz FFYQRBQOJKXSJK-UHFFFAOYSA-N 0 3 335.404 2.090 10 5 EEBEHN CN(C)CCn1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1 ZINC000119972582 462947939 /nfs/dbraw/zinc/94/79/39/462947939.db2.gz VELJVWUARVGWOB-UHFFFAOYSA-N 0 3 337.767 2.259 10 5 EEBEHN Cc1ccc(NCCCNC(=O)N2CC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000121377245 463125833 /nfs/dbraw/zinc/12/58/33/463125833.db2.gz RMOIDPKIRDKJRS-AWEZNQCLSA-N 0 3 349.435 2.051 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000170858962 463723965 /nfs/dbraw/zinc/72/39/65/463723965.db2.gz CTYYQMJAPRKYCC-OAHLLOKOSA-N 0 3 346.431 2.361 10 5 EEBEHN C[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277324023 463909997 /nfs/dbraw/zinc/90/99/97/463909997.db2.gz DOBSQVCSERZCQK-SKDRFNHKSA-N 0 3 327.768 2.201 10 5 EEBEHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000180839824 464406064 /nfs/dbraw/zinc/40/60/64/464406064.db2.gz NLSRCDDKAKKVBH-GFCCVEGCSA-N 0 3 347.371 2.125 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272518162 464640312 /nfs/dbraw/zinc/64/03/12/464640312.db2.gz LARQHEKAMZZRNP-ZDUSSCGKSA-N 0 3 327.331 2.239 10 5 EEBEHN Cc1cc(C(=O)N2CCC(N3CCCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000600007744 468435444 /nfs/dbraw/zinc/43/54/44/468435444.db2.gz ZOXGMGLRMHBKEM-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CN2CCC1CC2 ZINC000340155851 465824899 /nfs/dbraw/zinc/82/48/99/465824899.db2.gz QEICISIQECGJIY-QGZVFWFLSA-N 0 3 342.399 2.171 10 5 EEBEHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CN2CCC1CC2 ZINC000340155850 465825154 /nfs/dbraw/zinc/82/51/54/465825154.db2.gz QEICISIQECGJIY-KRWDZBQOSA-N 0 3 342.399 2.171 10 5 EEBEHN CCCCN(C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362797722 466035377 /nfs/dbraw/zinc/03/53/77/466035377.db2.gz MNNHGGMFCJCAJQ-UHFFFAOYSA-N 0 3 329.347 2.264 10 5 EEBEHN CCCCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000338398680 466091526 /nfs/dbraw/zinc/09/15/26/466091526.db2.gz OXQVBQZZZGJLLF-LBPRGKRZSA-N 0 3 335.408 2.155 10 5 EEBEHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227449 468501314 /nfs/dbraw/zinc/50/13/14/468501314.db2.gz CKOSBACAKOWQEE-ZDUSSCGKSA-N 0 3 349.435 2.407 10 5 EEBEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375151706 466823086 /nfs/dbraw/zinc/82/30/86/466823086.db2.gz JVJLFFSQULPFER-DYVFJYSZSA-N 0 3 340.383 2.240 10 5 EEBEHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000366119831 467064532 /nfs/dbraw/zinc/06/45/32/467064532.db2.gz PQPVQTFGEXKRBS-UKRRQHHQSA-N 0 3 340.383 2.383 10 5 EEBEHN O=C1C[C@H](CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000414214513 467391276 /nfs/dbraw/zinc/39/12/76/467391276.db2.gz ZDEBFFSDCQZZEE-UGSOOPFHSA-N 0 3 325.368 2.410 10 5 EEBEHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501756 468158054 /nfs/dbraw/zinc/15/80/54/468158054.db2.gz XOTHPGXEIXILRV-CVEARBPZSA-N 0 3 347.415 2.440 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590446582 468259388 /nfs/dbraw/zinc/25/93/88/468259388.db2.gz UWFAHOGXNSICRD-RISCZKNCSA-N 0 3 335.429 2.483 10 5 EEBEHN COCCN1CCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033605 468747239 /nfs/dbraw/zinc/74/72/39/468747239.db2.gz GZRVPXGNAHHAIR-HIFRSBDPSA-N 0 3 337.420 2.365 10 5 EEBEHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165035 468766975 /nfs/dbraw/zinc/76/69/75/468766975.db2.gz JDHDFVJWGTWKGB-NXEZZACHSA-N 0 3 347.341 2.410 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@]2(C1)CCCN(C)C2 ZINC000601168740 468768911 /nfs/dbraw/zinc/76/89/11/468768911.db2.gz BEOYVWGAALYGTQ-CYBMUJFWSA-N 0 3 347.341 2.269 10 5 EEBEHN CCC[N@H+](C)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595381478 468833541 /nfs/dbraw/zinc/83/35/41/468833541.db2.gz MGXVYWPSUXSYBP-UHFFFAOYSA-N 0 3 335.451 2.055 10 5 EEBEHN CCC[N@@H+](C)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595381478 468833542 /nfs/dbraw/zinc/83/35/42/468833542.db2.gz MGXVYWPSUXSYBP-UHFFFAOYSA-N 0 3 335.451 2.055 10 5 EEBEHN COCCN1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593101322 468871669 /nfs/dbraw/zinc/87/16/69/468871669.db2.gz QWFPYAPWKLGILN-UHFFFAOYSA-N 0 3 337.420 2.146 10 5 EEBEHN CC(C)(O)CN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593462449 468991918 /nfs/dbraw/zinc/99/19/18/468991918.db2.gz UIARZGPQBZXXPL-UHFFFAOYSA-N 0 3 330.388 2.036 10 5 EEBEHN Nc1cc(NC[C@H]2CCN2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000596559384 469301058 /nfs/dbraw/zinc/30/10/58/469301058.db2.gz XUBJBOWYBYQQNF-MRXNPFEDSA-N 0 3 342.399 2.356 10 5 EEBEHN O=[N+]([O-])c1cc(CN2CCCN(C[C@@H]3CCCO3)CC2)cs1 ZINC000604082093 469456423 /nfs/dbraw/zinc/45/64/23/469456423.db2.gz QKQTUEHDWMLMDX-AWEZNQCLSA-N 0 3 325.434 2.343 10 5 EEBEHN O=C(c1cc2ccccc2c2cccnc12)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299984 471298460 /nfs/dbraw/zinc/29/84/60/471298460.db2.gz VGNAVILXYTVHIX-JKSUJKDBSA-N 0 3 347.418 2.279 10 5 EEBEHN O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924062512 678389128 /nfs/dbraw/zinc/38/91/28/678389128.db2.gz WFCNMLOHLPPGDF-CYBMUJFWSA-N 0 3 336.319 2.178 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000866921334 686613831 /nfs/dbraw/zinc/61/38/31/686613831.db2.gz QRSFTGLKCDMSDT-GHMZBOCLSA-N 0 3 347.462 2.116 10 5 EEBEHN CC(C)n1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001691498190 1181921280 /nfs/dbraw/zinc/92/12/80/1181921280.db2.gz TYTCKDLDTWACGP-UHFFFAOYSA-N 0 3 345.403 2.234 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)COc1ccsc1 ZINC001691555372 1188257453 /nfs/dbraw/zinc/25/74/53/1188257453.db2.gz BYHWSEDANWHXDC-UHFFFAOYSA-N 0 3 349.412 2.283 10 5 EEBEHN CCOCC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001484576667 1191428538 /nfs/dbraw/zinc/42/85/38/1191428538.db2.gz YLNKGMGMAMVMAZ-UHFFFAOYSA-N 0 3 347.415 2.056 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cncs1 ZINC001273289310 1197961145 /nfs/dbraw/zinc/96/11/45/1197961145.db2.gz VLYFPOWPQYHKKT-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN C[C@@H](O)[C@H](O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000865740107 1198353693 /nfs/dbraw/zinc/35/36/93/1198353693.db2.gz BLDVYCFSDDBSBO-FZKQIMNGSA-N 0 3 345.399 2.194 10 5 EEBEHN C[C@@H](O)[C@@H](O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000865740106 1198353914 /nfs/dbraw/zinc/35/39/14/1198353914.db2.gz BLDVYCFSDDBSBO-ACJLOTCBSA-N 0 3 345.399 2.194 10 5 EEBEHN CC(COC(=O)[C@@H](C)Oc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110007 1201120171 /nfs/dbraw/zinc/12/01/71/1201120171.db2.gz YLPXINOJLNZLSN-DTWKUNHWSA-N 0 3 332.150 2.425 10 5 EEBEHN COc1ccc(SCCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813110014 1201120344 /nfs/dbraw/zinc/12/03/44/1201120344.db2.gz YSMYECSGUIRZGI-SNVBAGLBSA-N 0 3 329.374 2.394 10 5 EEBEHN Cc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000867996316 1201723112 /nfs/dbraw/zinc/72/31/12/1201723112.db2.gz XEZZOXWOQBKVQL-UHFFFAOYSA-N 0 3 325.368 2.016 10 5 EEBEHN C[C@H]1[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C ZINC000925329070 1206097463 /nfs/dbraw/zinc/09/74/63/1206097463.db2.gz KNKLNQRILHFCFA-BLLLJJGKSA-N 0 3 332.404 2.361 10 5 EEBEHN Cc1ccc(NC(=O)NC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000927646402 1206285937 /nfs/dbraw/zinc/28/59/37/1206285937.db2.gz VDWLTADPFXBPTN-OAHLLOKOSA-N 0 3 348.403 2.278 10 5 EEBEHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)cc1 ZINC000929749453 1206497587 /nfs/dbraw/zinc/49/75/87/1206497587.db2.gz ODRUBDPEYHFZCL-KKXDTOCCSA-N 0 3 348.399 2.242 10 5 EEBEHN CN(CCCN(C)C(=O)CC(C)(C)O)Cc1cccc([N+](=O)[O-])c1 ZINC001273507797 1278747335 /nfs/dbraw/zinc/74/73/35/1278747335.db2.gz NQDOBZBPAUJVBP-UHFFFAOYSA-N 0 3 337.420 2.036 10 5 EEBEHN Cc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000863034007 1296088777 /nfs/dbraw/zinc/08/87/77/1296088777.db2.gz FZSCBMWQTFIYNA-ZDUSSCGKSA-N 0 3 332.404 2.232 10 5 EEBEHN CN1C(=O)c2ccccc2[C@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863581905 1296344146 /nfs/dbraw/zinc/34/41/46/1296344146.db2.gz YBVDABXJJLFCBK-SJORKVTESA-N 0 3 341.367 2.045 10 5 EEBEHN CC(C)(C)OCC(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001264418307 1322696490 /nfs/dbraw/zinc/69/64/90/1322696490.db2.gz ODOAZYMVGFGQBW-CTYIDZIISA-N 0 3 349.431 2.394 10 5 EEBEHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccon1 ZINC001316911249 1331977249 /nfs/dbraw/zinc/97/72/49/1331977249.db2.gz IKNCQVKCGPTTET-UHFFFAOYSA-N 0 3 344.371 2.367 10 5 EEBEHN COc1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001317643984 1332344840 /nfs/dbraw/zinc/34/48/40/1332344840.db2.gz MVECVBJRWPCPKA-UHFFFAOYSA-N 0 3 333.344 2.058 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001352562402 1337981333 /nfs/dbraw/zinc/98/13/33/1337981333.db2.gz BVQBHEUREPCOKH-IRXDYDNUSA-N 0 3 347.415 2.011 10 5 EEBEHN Cn1cc(CCNCc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000069786637 202292354 /nfs/dbraw/zinc/29/23/54/202292354.db2.gz UWIVCZZINGHCJW-UHFFFAOYSA-N 0 3 339.193 2.423 10 5 EEBEHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000045625483 204328529 /nfs/dbraw/zinc/32/85/29/204328529.db2.gz JXHVPDRGSKJNQS-UHFFFAOYSA-N 0 3 342.193 2.181 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352080983 162060044 /nfs/dbraw/zinc/06/00/44/162060044.db2.gz CNFMXIUJZLHTCQ-INIZCTEOSA-N 0 3 349.431 2.099 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193991890 268624134 /nfs/dbraw/zinc/62/41/34/268624134.db2.gz HLKADTPEBQGXCS-CQSZACIVSA-N 0 3 335.404 2.354 10 5 EEBEHN COC(=O)c1cc(N2CC[C@@H](N3CC=CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268470579 274000064 /nfs/dbraw/zinc/00/00/64/274000064.db2.gz HWNMITYPSPVHCQ-CYBMUJFWSA-N 0 3 331.372 2.140 10 5 EEBEHN COc1cc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])cc1F ZINC000121922282 274097694 /nfs/dbraw/zinc/09/76/94/274097694.db2.gz JGTLQHVZWFCJGW-LLVKDONJSA-N 0 3 327.356 2.001 10 5 EEBEHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1(C)OCCCO1 ZINC000190660583 274206348 /nfs/dbraw/zinc/20/63/48/274206348.db2.gz FTVWAYXAIFZIGP-LBPRGKRZSA-N 0 3 337.376 2.055 10 5 EEBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408153704 274375419 /nfs/dbraw/zinc/37/54/19/274375419.db2.gz LHNLBKJOSDVFLX-YPMHNXCESA-N 0 3 328.372 2.385 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1CCOC1(C)C ZINC000295143398 293626317 /nfs/dbraw/zinc/62/63/17/293626317.db2.gz CLVVEEOHRCNBJZ-YGRLFVJLSA-N 0 3 337.376 2.088 10 5 EEBEHN CN1CCC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541963719 318119114 /nfs/dbraw/zinc/11/91/14/318119114.db2.gz WQGGPBCQJCMXFC-SNVBAGLBSA-N 0 3 343.330 2.268 10 5 EEBEHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCC2=O)cc1 ZINC000090538104 462795692 /nfs/dbraw/zinc/79/56/92/462795692.db2.gz RYDBKPHLOXMFOQ-ZDUSSCGKSA-N 0 3 343.387 2.269 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000164084938 463615368 /nfs/dbraw/zinc/61/53/68/463615368.db2.gz ZFFCPKAIDPMIGQ-RISCZKNCSA-N 0 3 336.392 2.454 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193991904 463768607 /nfs/dbraw/zinc/76/86/07/463768607.db2.gz HLKADTPEBQGXCS-AWEZNQCLSA-N 0 3 335.404 2.354 10 5 EEBEHN COc1ccc(OCCN(C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185324033 463801297 /nfs/dbraw/zinc/80/12/97/463801297.db2.gz RVBFYQHMILDBJF-CYBMUJFWSA-N 0 3 326.393 2.321 10 5 EEBEHN CN1CCN([C@@H]2CCCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174885479 464462845 /nfs/dbraw/zinc/46/28/45/464462845.db2.gz FSIYHMFTYJQXEO-GOSISDBHSA-N 0 3 332.448 2.197 10 5 EEBEHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183200570 464821170 /nfs/dbraw/zinc/82/11/70/464821170.db2.gz FHDNHSHAYGCBCT-NHYWBVRUSA-N 0 3 337.376 2.089 10 5 EEBEHN CC[C@H](CO)N1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347351299 466585013 /nfs/dbraw/zinc/58/50/13/466585013.db2.gz DSLYDYBOXCCGOZ-GSPCDJLXSA-N 0 3 333.432 2.387 10 5 EEBEHN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000413425932 467239636 /nfs/dbraw/zinc/23/96/36/467239636.db2.gz IVIVHLACJCTTRA-GVDBMIGSSA-N 0 3 329.400 2.251 10 5 EEBEHN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000413425931 467239990 /nfs/dbraw/zinc/23/99/90/467239990.db2.gz IVIVHLACJCTTRA-BBWFWOEESA-N 0 3 329.400 2.251 10 5 EEBEHN COc1cc(CN(C)CCCNC(=O)C2CCC2)ccc1[N+](=O)[O-] ZINC000429546069 467345084 /nfs/dbraw/zinc/34/50/84/467345084.db2.gz GRMBANCMGQJFSU-UHFFFAOYSA-N 0 3 335.404 2.342 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](N3CCCCC3)C2)c1 ZINC000589498283 468157148 /nfs/dbraw/zinc/15/71/48/468157148.db2.gz IUFVPXLXZZRJRQ-INIZCTEOSA-N 0 3 347.415 2.442 10 5 EEBEHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600470722 468567384 /nfs/dbraw/zinc/56/73/84/468567384.db2.gz IDSDXTQQECLDSD-LBPRGKRZSA-N 0 3 335.408 2.188 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN4C[C@H](O)C[C@H]4C3)o2)cc1 ZINC000594610703 468635351 /nfs/dbraw/zinc/63/53/51/468635351.db2.gz BFIDFKAWWRGDON-JKSUJKDBSA-N 0 3 343.383 2.106 10 5 EEBEHN Cc1ccncc1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594967272 468734019 /nfs/dbraw/zinc/73/40/19/468734019.db2.gz KCPDESXFFBCXRT-UHFFFAOYSA-N 0 3 329.356 2.402 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601129702 468754333 /nfs/dbraw/zinc/75/43/33/468754333.db2.gz WUWCLPWLKSQJDB-AWEZNQCLSA-N 0 3 331.416 2.475 10 5 EEBEHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1c1cccc(F)c1 ZINC000595226592 468788417 /nfs/dbraw/zinc/78/84/17/468788417.db2.gz VIIVDIJKXDXOKL-HUUCEWRRSA-N 0 3 344.346 2.086 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000595635456 468933264 /nfs/dbraw/zinc/93/32/64/468933264.db2.gz VEQZCMGBUKBUTA-APHBMKBZSA-N 0 3 338.404 2.259 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOC3(CNC3)C2)o1 ZINC000596103131 469156157 /nfs/dbraw/zinc/15/61/57/469156157.db2.gz AQVFCOUSDIVGNF-UHFFFAOYSA-N 0 3 329.356 2.029 10 5 EEBEHN Nc1cc(NC[C@@H]2CCN2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000596559183 469301197 /nfs/dbraw/zinc/30/11/97/469301197.db2.gz XUBJBOWYBYQQNF-INIZCTEOSA-N 0 3 342.399 2.356 10 5 EEBEHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(-n2ccnc2)c1 ZINC000189896232 533877751 /nfs/dbraw/zinc/87/77/51/533877751.db2.gz WEZBQMGLROEDMI-ZDUSSCGKSA-N 0 3 326.360 2.328 10 5 EEBEHN COc1ccc(Br)c(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113985 675763637 /nfs/dbraw/zinc/76/36/37/675763637.db2.gz KSXMHOQZOVSZAH-MRVPVSSYSA-N 0 3 332.150 2.209 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000925329400 692753279 /nfs/dbraw/zinc/75/32/79/692753279.db2.gz ANVVCLHXQXEKQH-WFASDCNBSA-N 0 3 332.404 2.361 10 5 EEBEHN CC(C)OCC(=O)N1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001485753266 1191922655 /nfs/dbraw/zinc/92/26/55/1191922655.db2.gz NRHLZOVFODWGAW-UHFFFAOYSA-N 0 3 349.431 2.443 10 5 EEBEHN Cc1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)nc1C ZINC001266774877 1177402423 /nfs/dbraw/zinc/40/24/23/1177402423.db2.gz NGZYTLFQRYPHSD-UHFFFAOYSA-N 0 3 342.399 2.468 10 5 EEBEHN CCc1oncc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001266850826 1177550791 /nfs/dbraw/zinc/55/07/91/1177550791.db2.gz OUTLTFVWVQTRQC-UHFFFAOYSA-N 0 3 332.360 2.007 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn(C)c1 ZINC001268443604 1182619821 /nfs/dbraw/zinc/61/98/21/1182619821.db2.gz WJBZDNKOZLXPMA-UHFFFAOYSA-N 0 3 330.388 2.185 10 5 EEBEHN CCc1cc(C(=O)N(CC)CCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001482962808 1187896759 /nfs/dbraw/zinc/89/67/59/1187896759.db2.gz BQMROCLJLLMNRN-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN C[C@H](N[C@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076143 1198042463 /nfs/dbraw/zinc/04/24/63/1198042463.db2.gz YDNMOXLWTPEZFL-STQMWFEESA-N 0 3 325.384 2.231 10 5 EEBEHN CC(COC(=O)Cc1ccc(OCc2ccccn2)cc1)[N+](=O)[O-] ZINC000813105439 1201116350 /nfs/dbraw/zinc/11/63/50/1201116350.db2.gz MIKMZFFCDIDAQP-CYBMUJFWSA-N 0 3 330.340 2.412 10 5 EEBEHN O=C(OCc1ccc([N+](=O)[O-])cc1F)C1CCCN(C2CC2)C1=O ZINC000924057957 1205932367 /nfs/dbraw/zinc/93/23/67/1205932367.db2.gz KHJMIHYLPIGYPE-ZDUSSCGKSA-N 0 3 336.319 2.178 10 5 EEBEHN CNC(=O)C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000796610749 1221655873 /nfs/dbraw/zinc/65/58/73/1221655873.db2.gz HAINEKMOLXRZNJ-IRXDYDNUSA-N 0 3 343.383 2.095 10 5 EEBEHN O=C(COC1CCCC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001490997068 1258555526 /nfs/dbraw/zinc/55/55/26/1258555526.db2.gz HDYIAZRCEUWAPG-GASCZTMLSA-N 0 3 347.415 2.291 10 5 EEBEHN Cc1cccc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001273849895 1286784009 /nfs/dbraw/zinc/78/40/09/1286784009.db2.gz BXWXATNBSGCYDR-IHWYPQMZSA-N 0 3 340.383 2.374 10 5 EEBEHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000861350700 1295358990 /nfs/dbraw/zinc/35/89/90/1295358990.db2.gz FCTBXGHLDFQFNO-ISTRZQFTSA-N 0 3 336.388 2.351 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001123864394 1310740570 /nfs/dbraw/zinc/74/05/70/1310740570.db2.gz YFKNINGXBFUDEE-SJORKVTESA-N 0 3 347.415 2.011 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1nccn1CC ZINC001320721850 1332940358 /nfs/dbraw/zinc/94/03/58/1332940358.db2.gz HRMYRUYOZBBJAH-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN Cc1ccc([C@@H](C)NC[C@@H](O)CN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001653035468 1354111507 /nfs/dbraw/zinc/11/15/07/1354111507.db2.gz QOGSPABXDFEIRN-DGCLKSJQSA-N 0 3 349.353 2.409 10 5 EEBEHN CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000906651436 784049886 /nfs/dbraw/zinc/04/98/86/784049886.db2.gz CMIPWBUSQUISFP-NSHDSACASA-N 0 3 338.795 2.139 10 5 EEBEHN O=C(NC/C=C/CNCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001497534994 1102633793 /nfs/dbraw/zinc/63/37/93/1102633793.db2.gz MAXBSAIVUVVKGD-ONEGZZNKSA-N 0 3 341.367 2.376 10 5 EEBEHN Cc1cnoc1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001502014561 1113559169 /nfs/dbraw/zinc/55/91/69/1113559169.db2.gz CBJVXBJMCQBHGQ-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN C[C@@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)N(C)C ZINC000037985574 202384219 /nfs/dbraw/zinc/38/42/19/202384219.db2.gz VNRNGYRVPTUOMA-QMMMGPOBSA-N 0 3 330.182 2.037 10 5 EEBEHN CCN1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000130607777 292376397 /nfs/dbraw/zinc/37/63/97/292376397.db2.gz LNGLYGFRIANPLO-CYBMUJFWSA-N 0 3 330.388 2.219 10 5 EEBEHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559618 159197901 /nfs/dbraw/zinc/19/79/01/159197901.db2.gz SUSDKPUWSFWSHI-SUMWQHHRSA-N 0 3 343.383 2.081 10 5 EEBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247390743 160323509 /nfs/dbraw/zinc/32/35/09/160323509.db2.gz QKQFMPVWAAWUKJ-DZGCQCFKSA-N 0 3 334.420 2.465 10 5 EEBEHN COc1cc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000352554561 162184603 /nfs/dbraw/zinc/18/46/03/162184603.db2.gz GWAYUGMFRZBBHG-ZDUSSCGKSA-N 0 3 331.376 2.410 10 5 EEBEHN COc1cc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352554561 162184607 /nfs/dbraw/zinc/18/46/07/162184607.db2.gz GWAYUGMFRZBBHG-ZDUSSCGKSA-N 0 3 331.376 2.410 10 5 EEBEHN COc1cc(CN2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352554561 162184610 /nfs/dbraw/zinc/18/46/10/162184610.db2.gz GWAYUGMFRZBBHG-ZDUSSCGKSA-N 0 3 331.376 2.410 10 5 EEBEHN CN(C)Cc1ccc(-c2noc(-c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000272596003 274176027 /nfs/dbraw/zinc/17/60/27/274176027.db2.gz GRANLSWIQCRHEL-UHFFFAOYSA-N 0 3 328.332 2.107 10 5 EEBEHN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000372284358 276280129 /nfs/dbraw/zinc/28/01/29/276280129.db2.gz ZBZMVYXIFLVXOZ-JKSUJKDBSA-N 0 3 336.388 2.180 10 5 EEBEHN COc1cc(CNC[C@H](N)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414842224 313100886 /nfs/dbraw/zinc/10/08/86/313100886.db2.gz YTZPJELXPUWJIQ-AWEZNQCLSA-N 0 3 331.372 2.402 10 5 EEBEHN COc1ccc(OCCn2cc3c(n2)[C@@H](N)CCC3)c([N+](=O)[O-])c1 ZINC000564840981 319116582 /nfs/dbraw/zinc/11/65/82/319116582.db2.gz LCUJMTMFBPXKIA-ZDUSSCGKSA-N 0 3 332.360 2.215 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565834407 319218960 /nfs/dbraw/zinc/21/89/60/319218960.db2.gz MTKYYOADSKKNPY-KRWDZBQOSA-N 0 3 340.383 2.091 10 5 EEBEHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000284569505 464246740 /nfs/dbraw/zinc/24/67/40/464246740.db2.gz OEBDRTLKVAVQAY-IRXDYDNUSA-N 0 3 328.372 2.052 10 5 EEBEHN COC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182409168 464648306 /nfs/dbraw/zinc/64/83/06/464648306.db2.gz HSFQDYGYMLGQQY-JKSUJKDBSA-N 0 3 346.383 2.312 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177115297 464934192 /nfs/dbraw/zinc/93/41/92/464934192.db2.gz KVJQFCFCDPFLIY-AAEUAGOBSA-N 0 3 333.388 2.349 10 5 EEBEHN COc1cc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000339762232 465496628 /nfs/dbraw/zinc/49/66/28/465496628.db2.gz TYKVJBOSUQTRLJ-DLBZAZTESA-N 0 3 336.388 2.013 10 5 EEBEHN O=C(CNC1(CCO)CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000353645146 466037314 /nfs/dbraw/zinc/03/73/14/466037314.db2.gz BESPEXCVUDGONU-UHFFFAOYSA-N 0 3 347.415 2.159 10 5 EEBEHN CN(C)C[C@@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807194 466471984 /nfs/dbraw/zinc/47/19/84/466471984.db2.gz GRMRPQKKUXAFQC-ZWKOTPCHSA-N 0 3 329.400 2.196 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCCN2CCSC[C@H]2CCO)cc1 ZINC000347373623 466597144 /nfs/dbraw/zinc/59/71/44/466597144.db2.gz QFMXTKZOQSBUQF-CQSZACIVSA-N 0 3 326.418 2.164 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000372860325 466619050 /nfs/dbraw/zinc/61/90/50/466619050.db2.gz UUUWXLWBRATKCK-WFASDCNBSA-N 0 3 333.388 2.094 10 5 EEBEHN Cc1sc(C(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1[N+](=O)[O-] ZINC000373280142 466751512 /nfs/dbraw/zinc/75/15/12/466751512.db2.gz VZHMGJJZBPJFDF-UHFFFAOYSA-N 0 3 349.416 2.680 10 5 EEBEHN O=[N+]([O-])c1cnn(CCNCc2cnc(-c3ccncc3)s2)c1 ZINC000427754146 467176316 /nfs/dbraw/zinc/17/63/16/467176316.db2.gz RFMDDXFRXJEAOX-UHFFFAOYSA-N 0 3 330.373 2.100 10 5 EEBEHN CC(C)N1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487194181 468027744 /nfs/dbraw/zinc/02/77/44/468027744.db2.gz ILESUYMQGYSHGK-NSHDSACASA-N 0 3 341.358 2.405 10 5 EEBEHN CCc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590399912 468247152 /nfs/dbraw/zinc/24/71/52/468247152.db2.gz FDHRCRLSCCODFQ-RDJZCZTQSA-N 0 3 347.415 2.092 10 5 EEBEHN CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C)C1 ZINC000597946962 468721260 /nfs/dbraw/zinc/72/12/60/468721260.db2.gz UAEYRDMMDWYMGZ-HNNXBMFYSA-N 0 3 330.388 2.102 10 5 EEBEHN O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000601140430 468757891 /nfs/dbraw/zinc/75/78/91/468757891.db2.gz YRZABWKODNCSKV-OAHLLOKOSA-N 0 3 346.362 2.308 10 5 EEBEHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000189901480 533876710 /nfs/dbraw/zinc/87/67/10/533876710.db2.gz UJMITLKOJRUMDM-ZDUSSCGKSA-N 0 3 326.360 2.328 10 5 EEBEHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928443980 683175485 /nfs/dbraw/zinc/17/54/85/683175485.db2.gz HQCNOVICHXEDJF-SCVCMEIPSA-N 0 3 341.795 2.224 10 5 EEBEHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721488 684699099 /nfs/dbraw/zinc/69/90/99/684699099.db2.gz BZFSAEKDVAPISI-LLCTXKFZSA-N 0 3 332.400 2.471 10 5 EEBEHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703520286 1196528213 /nfs/dbraw/zinc/52/82/13/1196528213.db2.gz VPNMJAZALLEMMW-AOOOYVTPSA-N 0 3 342.193 2.053 10 5 EEBEHN CCCc1ccc(N2C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103752 1201097831 /nfs/dbraw/zinc/09/78/31/1201097831.db2.gz SJCCIBCMPBJHHI-JSGCOSHPSA-N 0 3 334.372 2.200 10 5 EEBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924527859 1205991461 /nfs/dbraw/zinc/99/14/61/1205991461.db2.gz CJUAWNWVHDXVQK-GXTWGEPZSA-N 0 3 346.387 2.062 10 5 EEBEHN Cc1cc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000930732586 1206578874 /nfs/dbraw/zinc/57/88/74/1206578874.db2.gz NSGADIHWNNWZDM-HNNXBMFYSA-N 0 3 348.403 2.278 10 5 EEBEHN O=[N+]([O-])c1cncc(Cl)c1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001164037514 1321278298 /nfs/dbraw/zinc/27/82/98/1321278298.db2.gz ISFNMZNTLDHLQS-CYBMUJFWSA-N 0 3 334.763 2.500 10 5 EEBEHN Cc1c[nH]cc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001321391233 1333093076 /nfs/dbraw/zinc/09/30/76/1333093076.db2.gz CCTOXBUUPKZOGG-IHWYPQMZSA-N 0 3 328.372 2.307 10 5 EEBEHN CCc1cc(C(=O)N(CC)CCNCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001668366115 1355930355 /nfs/dbraw/zinc/93/03/55/1355930355.db2.gz UPMLFYBIGMHOGB-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001146613251 791377175 /nfs/dbraw/zinc/37/71/75/791377175.db2.gz VHNFNDUIHNNKSM-XYPHTWIQSA-N 0 3 336.351 2.434 10 5 EEBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1F ZINC001168496944 796312798 /nfs/dbraw/zinc/31/27/98/796312798.db2.gz KHDFMTJUVMONHM-SKDRFNHKSA-N 0 3 342.758 2.296 10 5 EEBEHN COC(=O)C[C@@](C)(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC001473731911 1110579443 /nfs/dbraw/zinc/57/94/43/1110579443.db2.gz JRZVLMDOKPLSOO-MRXNPFEDSA-N 0 3 332.360 2.293 10 5 EEBEHN C[C@H]1[C@@H](CO)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000425967435 241190362 /nfs/dbraw/zinc/19/03/62/241190362.db2.gz OHSMZBSOGWFCRG-GXTWGEPZSA-N 0 3 330.388 2.198 10 5 EEBEHN CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000105837300 204168673 /nfs/dbraw/zinc/16/86/73/204168673.db2.gz NQVKREGTCNZQKX-HNNXBMFYSA-N 0 3 337.420 2.016 10 5 EEBEHN CN(C)[C@@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCSC1 ZINC000267092066 256025746 /nfs/dbraw/zinc/02/57/46/256025746.db2.gz INALZAJIQOYQCY-MRXNPFEDSA-N 0 3 348.428 2.243 10 5 EEBEHN COc1ccc(OCCN2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000173760478 152193350 /nfs/dbraw/zinc/19/33/50/152193350.db2.gz XIWMATMBRXOSMJ-MPYYAJLASA-N 0 3 336.388 2.075 10 5 EEBEHN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000374322400 154050343 /nfs/dbraw/zinc/05/03/43/154050343.db2.gz CPXWCJAMNNMYGE-ZFWWWQNUSA-N 0 3 338.477 2.114 10 5 EEBEHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)n(C2CCN(C)CC2)n1 ZINC000531888118 317826710 /nfs/dbraw/zinc/82/67/10/317826710.db2.gz YWUWNYUALSGFQB-UHFFFAOYSA-N 0 3 344.375 2.014 10 5 EEBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCN(C)c1ccncc1 ZINC000540923476 318083899 /nfs/dbraw/zinc/08/38/99/318083899.db2.gz SMEUDYRCOLJMAI-UHFFFAOYSA-N 0 3 328.372 2.475 10 5 EEBEHN CCn1nnc(C)c1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562522499 318891537 /nfs/dbraw/zinc/89/15/37/318891537.db2.gz JQBCTJRWPCMJFL-UHFFFAOYSA-N 0 3 328.376 2.328 10 5 EEBEHN CC(C)(C)CC(C)(C)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000563517554 319017980 /nfs/dbraw/zinc/01/79/80/319017980.db2.gz DSKIVGLWNMLNNU-UHFFFAOYSA-N 0 3 337.424 2.291 10 5 EEBEHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000066835946 462935993 /nfs/dbraw/zinc/93/59/93/462935993.db2.gz BYHQTKRLUXTTJU-ZDUSSCGKSA-N 0 3 349.387 2.117 10 5 EEBEHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000049128866 462955579 /nfs/dbraw/zinc/95/55/79/462955579.db2.gz BUGMEJDEDWARND-WCBMZHEXSA-N 0 3 330.797 2.218 10 5 EEBEHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000351919399 465442029 /nfs/dbraw/zinc/44/20/29/465442029.db2.gz PMCPWSOJUAWJRL-JTQLQIEISA-N 0 3 347.462 2.007 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000266746629 464807017 /nfs/dbraw/zinc/80/70/17/464807017.db2.gz GCQLBDLZONTYTQ-ZFWWWQNUSA-N 0 3 334.420 2.261 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000343636774 465536644 /nfs/dbraw/zinc/53/66/44/465536644.db2.gz UVALLLUVERHRTG-JSGCOSHPSA-N 0 3 333.388 2.444 10 5 EEBEHN CN(CCN(C)C1CC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096396 468443014 /nfs/dbraw/zinc/44/30/14/468443014.db2.gz JHDPKIJGFHMGJF-UHFFFAOYSA-N 0 3 341.799 2.388 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1ccncc1 ZINC000346806639 466169315 /nfs/dbraw/zinc/16/93/15/466169315.db2.gz UNFAZCNDIDZSSP-UHFFFAOYSA-N 0 3 345.359 2.044 10 5 EEBEHN Cn1cc(CN2C[C@@H]3COC[C@@]3(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597210978 468480270 /nfs/dbraw/zinc/48/02/70/468480270.db2.gz JJDPVKIHHNAHQF-CRAIPNDOSA-N 0 3 342.399 2.464 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432319526 467230345 /nfs/dbraw/zinc/23/03/45/467230345.db2.gz GZRKMWITOVAILM-ZDUSSCGKSA-N 0 3 330.388 2.036 10 5 EEBEHN O=C(CN[C@@H]1CC2CCC1CC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000433055415 467287637 /nfs/dbraw/zinc/28/76/37/467287637.db2.gz XZQAGYRHAVLIPS-HTAVTVPLSA-N 0 3 347.371 2.430 10 5 EEBEHN CC[C@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000449420960 467642374 /nfs/dbraw/zinc/64/23/74/467642374.db2.gz HATOVMPKANFGBE-WFBYXXMGSA-N 0 3 345.346 2.306 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567821227 468216904 /nfs/dbraw/zinc/21/69/04/468216904.db2.gz XAWIMOANUHQNOK-KRWDZBQOSA-N 0 3 340.383 2.363 10 5 EEBEHN Cc1ccc(OC[C@@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000582542494 468555772 /nfs/dbraw/zinc/55/57/72/468555772.db2.gz YDLQYTBOGFHNBV-INIZCTEOSA-N 0 3 346.383 2.312 10 5 EEBEHN Cc1cc(NCCCc2ncn(C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591967216 468585039 /nfs/dbraw/zinc/58/50/39/468585039.db2.gz JIIJOBINSRDVSV-UHFFFAOYSA-N 0 3 326.360 2.047 10 5 EEBEHN CC(C)c1ccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592525258 468720948 /nfs/dbraw/zinc/72/09/48/468720948.db2.gz NRHHFABORHIZQS-AWEZNQCLSA-N 0 3 348.447 2.270 10 5 EEBEHN COc1nccnc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571612207 468810812 /nfs/dbraw/zinc/81/08/12/468810812.db2.gz MXHUFZLZHSPTAK-UHFFFAOYSA-N 0 3 327.344 2.207 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(CC2CCC2)[C@@H](C)CO)c1 ZINC000593029244 468844365 /nfs/dbraw/zinc/84/43/65/468844365.db2.gz OTUWZUPHAQYANU-LBPRGKRZSA-N 0 3 336.388 2.364 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000595630917 468931037 /nfs/dbraw/zinc/93/10/37/468931037.db2.gz CXAIGNAIXSDRIO-APHBMKBZSA-N 0 3 338.404 2.259 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)[C@H]2C1 ZINC000601596254 468931191 /nfs/dbraw/zinc/93/11/91/468931191.db2.gz VZFUWTRJITZGMV-CJNGLKHVSA-N 0 3 329.400 2.179 10 5 EEBEHN CC(C)(CO)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461114 468990150 /nfs/dbraw/zinc/99/01/50/468990150.db2.gz HWQXMOWXIXRHMK-UHFFFAOYSA-N 0 3 330.388 2.036 10 5 EEBEHN NC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000598914036 469047932 /nfs/dbraw/zinc/04/79/32/469047932.db2.gz WCQGVZUPGOPRRB-QMMMGPOBSA-N 0 3 326.662 2.259 10 5 EEBEHN Cc1sc(S(=O)(=O)[N-]CCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593615328 469059386 /nfs/dbraw/zinc/05/93/86/469059386.db2.gz AGEWFWLWYJEKHW-UHFFFAOYSA-N 0 3 349.478 2.221 10 5 EEBEHN Cc1sc(S(=O)(=O)[N-]CCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593615328 469059390 /nfs/dbraw/zinc/05/93/90/469059390.db2.gz AGEWFWLWYJEKHW-UHFFFAOYSA-N 0 3 349.478 2.221 10 5 EEBEHN CN1CCOC[C@@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599004233 469084786 /nfs/dbraw/zinc/08/47/86/469084786.db2.gz RCYYLYRSFJLACP-HNNXBMFYSA-N 0 3 331.372 2.275 10 5 EEBEHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cnn(CCN(C)C)c1 ZINC000587593724 469091208 /nfs/dbraw/zinc/09/12/08/469091208.db2.gz MDWGNOGOZUXQGT-UHFFFAOYSA-N 0 3 347.375 2.192 10 5 EEBEHN COc1cnccc1N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596219183 469208893 /nfs/dbraw/zinc/20/88/93/469208893.db2.gz OVTQLWBADPLXQW-UHFFFAOYSA-N 0 3 349.778 2.373 10 5 EEBEHN CC1(C)CCC[C@](CO)(NCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599593986 469303088 /nfs/dbraw/zinc/30/30/88/469303088.db2.gz JDNRFGRTKSLKSN-KRWDZBQOSA-N 0 3 335.404 2.454 10 5 EEBEHN C[C@@H](C(=O)Nc1cnn(CCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000617715316 469768799 /nfs/dbraw/zinc/76/87/99/469768799.db2.gz AJFOKXDZZMBBFN-GFCCVEGCSA-N 0 3 331.376 2.095 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NCCCN1CCC(O)CC1)CCCC2 ZINC000516647151 518203065 /nfs/dbraw/zinc/20/30/65/518203065.db2.gz KGATVWWWSBBBMG-UHFFFAOYSA-N 0 3 334.420 2.127 10 5 EEBEHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2COc3ccccc3O2)cc1 ZINC000776272766 577456112 /nfs/dbraw/zinc/45/61/12/577456112.db2.gz VZPAVDCGLYLXKD-HUUCEWRRSA-N 0 3 330.340 2.058 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000757863065 577865817 /nfs/dbraw/zinc/86/58/17/577865817.db2.gz NESLAZKETHRQEL-FUHWJXTLSA-N 0 3 330.384 2.477 10 5 EEBEHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928443977 1206384615 /nfs/dbraw/zinc/38/46/15/1206384615.db2.gz HQCNOVICHXEDJF-JBLDHEPKSA-N 0 3 341.795 2.224 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000928453409 1206386852 /nfs/dbraw/zinc/38/68/52/1206386852.db2.gz KLDMIHINCXLTCS-HIFRSBDPSA-N 0 3 346.431 2.020 10 5 EEBEHN CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN(C)C1 ZINC000853847755 1292486435 /nfs/dbraw/zinc/48/64/35/1292486435.db2.gz BYZKQSMCNBNHCJ-ZDUSSCGKSA-N 0 3 340.811 2.484 10 5 EEBEHN CCN(CCCNC(=O)c1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316888466 1331954269 /nfs/dbraw/zinc/95/42/69/1331954269.db2.gz WBGUWDFLYRBRBB-UHFFFAOYSA-N 0 3 332.360 2.225 10 5 EEBEHN COCC1(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001326857044 1334171370 /nfs/dbraw/zinc/17/13/70/1334171370.db2.gz XMQOVUKNLFCZBN-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC001565584719 1342558428 /nfs/dbraw/zinc/55/84/28/1342558428.db2.gz HNFVPZZKUYFCIP-OAHLLOKOSA-N 0 3 337.807 2.343 10 5 EEBEHN CN1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001635643550 1352649749 /nfs/dbraw/zinc/64/97/49/1352649749.db2.gz CSZNANVPVQGYQJ-HNNXBMFYSA-N 0 3 334.420 2.243 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC(F)(F)F ZINC001668377172 1355931441 /nfs/dbraw/zinc/93/14/41/1355931441.db2.gz JNXOWINFFBSKJX-UHFFFAOYSA-N 0 3 333.310 2.485 10 5 EEBEHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](N2CCC2)C1 ZINC000912903001 788482596 /nfs/dbraw/zinc/48/25/96/788482596.db2.gz KBKVBGRCIRAVCQ-CQSZACIVSA-N 0 3 337.807 2.487 10 5 EEBEHN O=C(NCc1ccc2cncn2c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001524865245 1120236017 /nfs/dbraw/zinc/23/60/17/1120236017.db2.gz BRVWYULSCJDVEK-UHFFFAOYSA-N 0 3 336.311 2.049 10 5 EEBEHN CCOC(=O)COCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546768 243152601 /nfs/dbraw/zinc/15/26/01/243152601.db2.gz JTCJBVZIJVLANK-OAHLLOKOSA-N 0 3 336.388 2.354 10 5 EEBEHN Cn1cc([C@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000173320106 152158181 /nfs/dbraw/zinc/15/81/81/152158181.db2.gz HUNJYVXLGVFKSF-OAHLLOKOSA-N 0 3 343.387 2.494 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)CC3CCCC3)C2)nc1 ZINC000249120174 160374341 /nfs/dbraw/zinc/37/43/41/160374341.db2.gz SOJRVJJEUKDSET-HOCLYGCPSA-N 0 3 334.420 2.417 10 5 EEBEHN O=C(CN1CCC(c2ccn[nH]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000195506765 160214517 /nfs/dbraw/zinc/21/45/17/160214517.db2.gz NJSLRSZSULJBMW-UHFFFAOYSA-N 0 3 329.360 2.136 10 5 EEBEHN CCCN(CC)C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352559302 162187382 /nfs/dbraw/zinc/18/73/82/162187382.db2.gz HGUUQLFVMVJYLQ-ZDUSSCGKSA-N 0 3 343.449 2.135 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000123866959 222345051 /nfs/dbraw/zinc/34/50/51/222345051.db2.gz WZBFSRWDPFOIMM-KGLIPLIRSA-N 0 3 334.420 2.338 10 5 EEBEHN COC(=O)c1cc(N2CC[C@H](N3CC=CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268470580 274000050 /nfs/dbraw/zinc/00/00/50/274000050.db2.gz HWNMITYPSPVHCQ-ZDUSSCGKSA-N 0 3 331.372 2.140 10 5 EEBEHN COc1cccc([N+](=O)[O-])c1N1CCN(c2ccncc2OC)CC1 ZINC000563424223 319009829 /nfs/dbraw/zinc/00/98/29/319009829.db2.gz AJPXCRQZSADGAR-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN COCCN1CCC[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576747414 320200531 /nfs/dbraw/zinc/20/05/31/320200531.db2.gz AFQAONDXQPYWJK-CQSZACIVSA-N 0 3 334.420 2.391 10 5 EEBEHN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CN2CCC1CC2 ZINC000347920781 465310091 /nfs/dbraw/zinc/31/00/91/465310091.db2.gz DFCBGRNDAUANFK-INIZCTEOSA-N 0 3 328.372 2.242 10 5 EEBEHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000127842074 462587792 /nfs/dbraw/zinc/58/77/92/462587792.db2.gz GXGSKLJILAMJDC-HUUCEWRRSA-N 0 3 343.387 2.164 10 5 EEBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154955323 462828247 /nfs/dbraw/zinc/82/82/47/462828247.db2.gz ACLRCYWZDPAQOW-QWHCGFSZSA-N 0 3 340.383 2.452 10 5 EEBEHN CC(C)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000077322779 462968897 /nfs/dbraw/zinc/96/88/97/462968897.db2.gz CPTMTTYPKOFUAN-UHFFFAOYSA-N 0 3 347.415 2.373 10 5 EEBEHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(C2CC2)CC1 ZINC000172347847 464060696 /nfs/dbraw/zinc/06/06/96/464060696.db2.gz LKGIREVPFJVFHL-CYBMUJFWSA-N 0 3 332.404 2.092 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000348223854 465497886 /nfs/dbraw/zinc/49/78/86/465497886.db2.gz YETNHCDXTOIEGM-HNNXBMFYSA-N 0 3 332.404 2.010 10 5 EEBEHN CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCN(C2CC2)C1 ZINC000340147275 465813715 /nfs/dbraw/zinc/81/37/15/465813715.db2.gz JXDGQRKWBOGESS-HNNXBMFYSA-N 0 3 342.399 2.314 10 5 EEBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1ccncc1 ZINC000361378037 465948387 /nfs/dbraw/zinc/94/83/87/465948387.db2.gz PZKFIEMNOPPVEI-HNNXBMFYSA-N 0 3 342.399 2.209 10 5 EEBEHN CC(C)CN(CCN(C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362725321 465975408 /nfs/dbraw/zinc/97/54/08/465975408.db2.gz RZJXMQQHUOXGMC-UHFFFAOYSA-N 0 3 343.374 2.462 10 5 EEBEHN C[C@@H](C(=O)N(C)[C@@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000349157511 466000838 /nfs/dbraw/zinc/00/08/38/466000838.db2.gz YTOSZGRLBCZPME-BDJLRTHQSA-N 0 3 335.379 2.390 10 5 EEBEHN C[C@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594502347 468610034 /nfs/dbraw/zinc/61/00/34/468610034.db2.gz ZJDPZBVYUNYCKZ-RYUDHWBXSA-N 0 3 344.458 2.242 10 5 EEBEHN CCN1CCN(C[C@H](C)CNc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000583470733 468701337 /nfs/dbraw/zinc/70/13/37/468701337.db2.gz AGEFZEHGHVLHKR-CQSZACIVSA-N 0 3 336.436 2.289 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000601131424 468755142 /nfs/dbraw/zinc/75/51/42/468755142.db2.gz KBPPLOSGJVVXCN-UWVGGRQHSA-N 0 3 347.341 2.268 10 5 EEBEHN CN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000592879765 468813836 /nfs/dbraw/zinc/81/38/36/468813836.db2.gz CLSZOKOCQSNZFN-ZBFHGGJFSA-N 0 3 340.383 2.065 10 5 EEBEHN O=[N+]([O-])c1ccccc1C[C@@H](NC1CN(c2ccncn2)C1)C1CC1 ZINC000601304277 468819394 /nfs/dbraw/zinc/81/93/94/468819394.db2.gz PCOUXXAKGDKFTF-MRXNPFEDSA-N 0 3 339.399 2.184 10 5 EEBEHN CCCN1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000598341578 468836691 /nfs/dbraw/zinc/83/66/91/468836691.db2.gz CMQMMIBMTMTALV-NSHDSACASA-N 0 3 343.330 2.410 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@]2(CC2(F)F)C1 ZINC000593119129 468878335 /nfs/dbraw/zinc/87/83/35/468878335.db2.gz UTEQTHDDBHSTKE-SMDDNHRTSA-N 0 3 328.315 2.066 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@@H]2CC2(F)F)cc1 ZINC000598730592 468977857 /nfs/dbraw/zinc/97/78/57/468977857.db2.gz WSNVSMSSMLRLAA-SNVBAGLBSA-N 0 3 334.344 2.003 10 5 EEBEHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000595848200 469041801 /nfs/dbraw/zinc/04/18/01/469041801.db2.gz FJFVMHSIXQURRH-BETUJISGSA-N 0 3 349.387 2.115 10 5 EEBEHN CN(CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000574073471 469256583 /nfs/dbraw/zinc/25/65/83/469256583.db2.gz PICUOXFASVNIPK-UHFFFAOYSA-N 0 3 345.403 2.012 10 5 EEBEHN CCOc1ccc([C@@H](C)NC[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152724583 528595032 /nfs/dbraw/zinc/59/50/32/528595032.db2.gz WTSZUAPFRDESHG-ZIAGYGMSSA-N 0 3 337.420 2.365 10 5 EEBEHN CCOc1ccc([C@@H](C)N[C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180589842 528597293 /nfs/dbraw/zinc/59/72/93/528597293.db2.gz YWSYZZBFHVZWSQ-DGCLKSJQSA-N 0 3 331.376 2.251 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000174533481 529097564 /nfs/dbraw/zinc/09/75/64/529097564.db2.gz UAYFRDPUKBCUNY-JTQLQIEISA-N 0 3 327.331 2.429 10 5 EEBEHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2COc3ccccc3O2)cc1 ZINC000776272765 577456122 /nfs/dbraw/zinc/45/61/22/577456122.db2.gz VZPAVDCGLYLXKD-GJZGRUSLSA-N 0 3 330.340 2.058 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000928448815 683197129 /nfs/dbraw/zinc/19/71/29/683197129.db2.gz OTHRJRAXXRDTFE-UFBFGSQYSA-N 0 3 342.193 2.180 10 5 EEBEHN CC(COC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813106205 1201117302 /nfs/dbraw/zinc/11/73/02/1201117302.db2.gz AOCNAYSWJNFDSN-DYVFJYSZSA-N 0 3 334.372 2.137 10 5 EEBEHN CN(CCN1CC2(C1)CCOCC2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000866257815 1201477429 /nfs/dbraw/zinc/47/74/29/1201477429.db2.gz MLBJXTRUILWRME-UHFFFAOYSA-N 0 3 345.403 2.020 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777798566 1206487619 /nfs/dbraw/zinc/48/76/19/1206487619.db2.gz CHHZXIMDHUTQLE-JTQLQIEISA-N 0 3 349.416 2.204 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCN[C@H]2c3ccccc3OC[C@H]2CO)cc1 ZINC000934217768 1207924908 /nfs/dbraw/zinc/92/49/08/1207924908.db2.gz QGQFVWBVJYAGDD-FZKQIMNGSA-N 0 3 344.367 2.305 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651000 1210379998 /nfs/dbraw/zinc/37/99/98/1210379998.db2.gz QGUTXBRDSVVQQX-LBPRGKRZSA-N 0 3 341.795 2.089 10 5 EEBEHN CC(COC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)[N+](=O)[O-] ZINC000851036149 1277447442 /nfs/dbraw/zinc/44/74/42/1277447442.db2.gz DPRXNBAMMLAHLU-OCCSQVGLSA-N 0 3 342.351 2.415 10 5 EEBEHN O=C1OC[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]12 ZINC000862545383 1295874881 /nfs/dbraw/zinc/87/48/81/1295874881.db2.gz RGPAIJKHUOSOED-IUODEOHRSA-N 0 3 328.324 2.460 10 5 EEBEHN C/C=C(/C)C(=O)N1CCC(O)(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001674066416 1356783062 /nfs/dbraw/zinc/78/30/62/1356783062.db2.gz NPEMFMYBGMRYDS-BNNQUZSASA-N 0 3 347.415 2.004 10 5 EEBEHN COC(=O)c1cc(C)nc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376260459 284525741 /nfs/dbraw/zinc/52/57/41/284525741.db2.gz OFSWXZGGFQOPCL-STQMWFEESA-N 0 3 348.403 2.148 10 5 EEBEHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559616 159197976 /nfs/dbraw/zinc/19/79/76/159197976.db2.gz SUSDKPUWSFWSHI-GUYCJALGSA-N 0 3 343.383 2.081 10 5 EEBEHN COC(=O)C1(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000295052090 311543223 /nfs/dbraw/zinc/54/32/23/311543223.db2.gz OQKZUOUQDYXIOO-UHFFFAOYSA-N 0 3 334.372 2.391 10 5 EEBEHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531634231 317809812 /nfs/dbraw/zinc/80/98/12/317809812.db2.gz ZIXPLWRVTVTLOJ-UHFFFAOYSA-N 0 3 334.401 2.255 10 5 EEBEHN COc1ccc(CNC(=O)CCN(C)c2ccncc2)cc1[N+](=O)[O-] ZINC000541855503 318112018 /nfs/dbraw/zinc/11/20/18/318112018.db2.gz FIVTXRSOXQWKSH-UHFFFAOYSA-N 0 3 344.371 2.141 10 5 EEBEHN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000565231045 319164957 /nfs/dbraw/zinc/16/49/57/319164957.db2.gz YVQLEUYPAQFVRL-LSDHHAIUSA-N 0 3 348.447 2.066 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567821228 319423095 /nfs/dbraw/zinc/42/30/95/319423095.db2.gz XAWIMOANUHQNOK-QGZVFWFLSA-N 0 3 340.383 2.363 10 5 EEBEHN COc1ccc([C@@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000576846828 320209788 /nfs/dbraw/zinc/20/97/88/320209788.db2.gz TUWFHTJKHQYJBK-MRXNPFEDSA-N 0 3 344.371 2.031 10 5 EEBEHN COc1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000347453833 465030634 /nfs/dbraw/zinc/03/06/34/465030634.db2.gz MPJQWXDINNRADH-CQSZACIVSA-N 0 3 333.388 2.048 10 5 EEBEHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000358698691 465271754 /nfs/dbraw/zinc/27/17/54/465271754.db2.gz MBDLZUDOKBKFNR-JQWIXIFHSA-N 0 3 341.795 2.226 10 5 EEBEHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000049128869 462955774 /nfs/dbraw/zinc/95/57/74/462955774.db2.gz BUGMEJDEDWARND-PSASIEDQSA-N 0 3 330.797 2.218 10 5 EEBEHN COC(=O)c1cc(C)nc(N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000287109974 463803353 /nfs/dbraw/zinc/80/33/53/463803353.db2.gz ZOKCZGKKZARCGI-NSHDSACASA-N 0 3 334.376 2.147 10 5 EEBEHN CC(C)OC[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000579583356 468379166 /nfs/dbraw/zinc/37/91/66/468379166.db2.gz PLQYGCTZPDLDJP-ZDUSSCGKSA-N 0 3 336.310 2.489 10 5 EEBEHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C2CC2)CC1 ZINC000172114112 463991316 /nfs/dbraw/zinc/99/13/16/463991316.db2.gz NKEGZEVCGZQPQR-UHFFFAOYSA-N 0 3 337.807 2.487 10 5 EEBEHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(C2CC2)CC1 ZINC000172347186 464059883 /nfs/dbraw/zinc/05/98/83/464059883.db2.gz XGXABIYXZZFDKD-ZDUSSCGKSA-N 0 3 332.404 2.092 10 5 EEBEHN NC(=O)c1coc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000187731612 464156284 /nfs/dbraw/zinc/15/62/84/464156284.db2.gz IEFUSBPGBWKGNH-OAHLLOKOSA-N 0 3 329.356 2.398 10 5 EEBEHN C[C@@H](CN(C)C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000351923443 465445216 /nfs/dbraw/zinc/44/52/16/465445216.db2.gz WCHJLCMSZWOPRG-QMMMGPOBSA-N 0 3 345.197 2.429 10 5 EEBEHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000188958613 464403773 /nfs/dbraw/zinc/40/37/73/464403773.db2.gz VUMQORGECVINGX-UHFFFAOYSA-N 0 3 330.388 2.200 10 5 EEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000175007358 464479547 /nfs/dbraw/zinc/47/95/47/464479547.db2.gz RQXNUSHSVLUMER-GXTWGEPZSA-N 0 3 333.388 2.302 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCOC1(C)C ZINC000295143392 464721565 /nfs/dbraw/zinc/72/15/65/464721565.db2.gz CLVVEEOHRCNBJZ-IINYFYTJSA-N 0 3 337.376 2.088 10 5 EEBEHN CCOc1ccc(NC(=O)CN[C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295193063 464740644 /nfs/dbraw/zinc/74/06/44/464740644.db2.gz JQLPWEOCQFIDSF-CQSZACIVSA-N 0 3 337.376 2.089 10 5 EEBEHN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000183201199 464820500 /nfs/dbraw/zinc/82/05/00/464820500.db2.gz KKFQBIASMVPOCI-RNCFNFMXSA-N 0 3 327.768 2.344 10 5 EEBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541766 464944720 /nfs/dbraw/zinc/94/47/20/464944720.db2.gz SMDRJAVOPXIQLN-ZDUSSCGKSA-N 0 3 333.417 2.405 10 5 EEBEHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000378382363 467286381 /nfs/dbraw/zinc/28/63/81/467286381.db2.gz XMNYYICLKYAMSA-UHFFFAOYSA-N 0 3 341.371 2.031 10 5 EEBEHN C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CN1C1CC1 ZINC000601127651 468753272 /nfs/dbraw/zinc/75/32/72/468753272.db2.gz MLQAHIHCABZGAU-HTQZYQBOSA-N 0 3 333.314 2.384 10 5 EEBEHN CCC[N@H+](C)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595381117 468832134 /nfs/dbraw/zinc/83/21/34/468832134.db2.gz JIFXMVWRMRTAKF-UHFFFAOYSA-N 0 3 347.412 2.133 10 5 EEBEHN CCC[N@@H+](C)CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595381117 468832138 /nfs/dbraw/zinc/83/21/38/468832138.db2.gz JIFXMVWRMRTAKF-UHFFFAOYSA-N 0 3 347.412 2.133 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000593030104 468845926 /nfs/dbraw/zinc/84/59/26/468845926.db2.gz KIXNVJCUVGGKJX-IMJJTQAJSA-N 0 3 346.383 2.429 10 5 EEBEHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598535564 468904776 /nfs/dbraw/zinc/90/47/76/468904776.db2.gz GQHRQFGZKHHPQM-MRXNPFEDSA-N 0 3 347.415 2.310 10 5 EEBEHN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000595615344 468923840 /nfs/dbraw/zinc/92/38/40/468923840.db2.gz LWRJXLZDMZTKPR-HNNXBMFYSA-N 0 3 334.376 2.002 10 5 EEBEHN CC(C)CN(C)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593479296 468998961 /nfs/dbraw/zinc/99/89/61/468998961.db2.gz AFQZWBFIMJIHFL-UHFFFAOYSA-N 0 3 343.449 2.388 10 5 EEBEHN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](OCCN2CCCCC2)C1 ZINC000610733162 469054083 /nfs/dbraw/zinc/05/40/83/469054083.db2.gz ZXKCZLQKGCMZFA-HNNXBMFYSA-N 0 3 347.415 2.312 10 5 EEBEHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCC1 ZINC000598962598 469068120 /nfs/dbraw/zinc/06/81/20/469068120.db2.gz ZAKKKIXFNXEPDV-HNNXBMFYSA-N 0 3 332.404 2.411 10 5 EEBEHN Nc1nc(S[C@@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000563440858 469240046 /nfs/dbraw/zinc/24/00/46/469240046.db2.gz NWPGEZUSNYZYLI-GFCCVEGCSA-N 0 3 331.401 2.334 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000619284530 469569656 /nfs/dbraw/zinc/56/96/56/469569656.db2.gz ZYSHZGQSKGCHGK-UHFFFAOYSA-N 0 3 347.375 2.004 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1COC(=O)C1CCCN(C2CC2)C1=O ZINC000924058602 677994010 /nfs/dbraw/zinc/99/40/10/677994010.db2.gz HAEHFAYXJGMYQE-CQSZACIVSA-N 0 3 348.355 2.048 10 5 EEBEHN Cc1nscc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001691296516 1177846453 /nfs/dbraw/zinc/84/64/53/1177846453.db2.gz MMTAPKVKGGZTML-UHFFFAOYSA-N 0 3 334.401 2.222 10 5 EEBEHN Cc1nocc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001483489427 1190508660 /nfs/dbraw/zinc/50/86/60/1190508660.db2.gz YQXNGNYXFDCOJN-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000814146970 1199318415 /nfs/dbraw/zinc/31/84/15/1199318415.db2.gz VUUZMHSEVYXJHB-YMTOWFKASA-N 0 3 341.770 2.092 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000814146968 1199318552 /nfs/dbraw/zinc/31/85/52/1199318552.db2.gz VUUZMHSEVYXJHB-OTYXRUKQSA-N 0 3 341.770 2.092 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCN2C2CCCCCC2)n1 ZINC000870731768 1200838858 /nfs/dbraw/zinc/83/88/58/1200838858.db2.gz BMYSKVWHDYZVEZ-CYBMUJFWSA-N 0 3 336.392 2.282 10 5 EEBEHN Cc1ocnc1C(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001280793024 1205855571 /nfs/dbraw/zinc/85/55/71/1205855571.db2.gz GBVJULHPICTADU-UHFFFAOYSA-N 0 3 346.387 2.485 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCN1C ZINC000928456068 1206387272 /nfs/dbraw/zinc/38/72/72/1206387272.db2.gz LIUOKNYHJJUMSG-OCCSQVGLSA-N 0 3 332.404 2.017 10 5 EEBEHN Nc1ccnc2c1CN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931509948 1207401318 /nfs/dbraw/zinc/40/13/18/1207401318.db2.gz CAXFXTASHVHWGT-UHFFFAOYSA-N 0 3 328.372 2.399 10 5 EEBEHN Cn1nccc1[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000927126065 1297027795 /nfs/dbraw/zinc/02/77/95/1297027795.db2.gz DBWMRUCJWWEDIE-GOEBONIOSA-N 0 3 330.388 2.374 10 5 EEBEHN CN1CCCC[C@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001304580434 1331389512 /nfs/dbraw/zinc/38/95/12/1331389512.db2.gz BUFLJFGSXLQLHK-LBPRGKRZSA-N 0 3 325.796 2.391 10 5 EEBEHN CN(CCCNC(=O)c1ncccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001316856699 1331507333 /nfs/dbraw/zinc/50/73/33/1331507333.db2.gz VMBQJPJTQINDQM-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1ccncc1 ZINC001322381966 1333256538 /nfs/dbraw/zinc/25/65/38/1333256538.db2.gz KIPVFMLJYIHKSJ-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NC[C@H]1CN3CCC[C@H]3CO1)CCCC2 ZINC001328119493 1334400491 /nfs/dbraw/zinc/40/04/91/1334400491.db2.gz MWGDMHNAAMMTAU-KBPBESRZSA-N 0 3 332.404 2.144 10 5 EEBEHN CCC1(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001567581339 1342787464 /nfs/dbraw/zinc/78/74/64/1342787464.db2.gz DUORDOCVCRFGPH-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2N)o1 ZINC001603073180 1350632481 /nfs/dbraw/zinc/63/24/81/1350632481.db2.gz SCELWIAMOUQWSR-UHFFFAOYSA-N 0 3 346.387 2.282 10 5 EEBEHN CN(C)C1(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CCCC1 ZINC001640048672 1352705494 /nfs/dbraw/zinc/70/54/94/1352705494.db2.gz CEOWWLMTQWCHJI-UHFFFAOYSA-N 0 3 327.331 2.364 10 5 EEBEHN O=C(CCN[C@H]1CCCn2nccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC001655421710 1354173662 /nfs/dbraw/zinc/17/36/62/1354173662.db2.gz LUKBKOMCOISBFA-AWEZNQCLSA-N 0 3 329.360 2.245 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CC(N)=O)CCCCC1 ZINC001655832316 1354186582 /nfs/dbraw/zinc/18/65/82/1354186582.db2.gz JGOJISKHFNFYRY-UHFFFAOYSA-N 0 3 348.403 2.010 10 5 EEBEHN Cc1ccn(C)c1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001660117035 1354399764 /nfs/dbraw/zinc/39/97/64/1354399764.db2.gz UCQNNQYCUKHPPU-UHFFFAOYSA-N 0 3 344.415 2.494 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908346863 785339817 /nfs/dbraw/zinc/33/98/17/785339817.db2.gz ILXBLGVRRPXUAE-PRHODGIISA-N 0 3 327.743 2.163 10 5 EEBEHN Cn1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000819184355 785453138 /nfs/dbraw/zinc/45/31/38/785453138.db2.gz YNRNZDPEQVOEHP-GFCCVEGCSA-N 0 3 344.293 2.170 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC)o1 ZINC001497471837 1102542403 /nfs/dbraw/zinc/54/24/03/1102542403.db2.gz SHXCSFQUPMIMRM-UHFFFAOYSA-N 0 3 347.371 2.448 10 5 EEBEHN CC(C)(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCCC1 ZINC001568236090 1124378247 /nfs/dbraw/zinc/37/82/47/1124378247.db2.gz ARXZYVVJGGHFDL-UHFFFAOYSA-N 0 3 345.403 2.352 10 5 EEBEHN COC(=O)[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000066835947 215085242 /nfs/dbraw/zinc/08/52/42/215085242.db2.gz BYHQTKRLUXTTJU-CYBMUJFWSA-N 0 3 349.387 2.117 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)n1 ZINC000191783687 239295013 /nfs/dbraw/zinc/29/50/13/239295013.db2.gz WHHRTNJCAWKLOX-GFCCVEGCSA-N 0 3 337.424 2.052 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@@H](C)C1 ZINC000171694212 533138779 /nfs/dbraw/zinc/13/87/79/533138779.db2.gz STHFMGRGDXXZDW-NSHDSACASA-N 0 3 339.417 2.369 10 5 EEBEHN CCOC(=O)c1ccnc(N[C@@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247491297 160326114 /nfs/dbraw/zinc/32/61/14/160326114.db2.gz WWXIZAOWHDUULI-DGCLKSJQSA-N 0 3 336.392 2.307 10 5 EEBEHN COc1cc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000352781138 162283770 /nfs/dbraw/zinc/28/37/70/162283770.db2.gz XOSRBKMBRQARQJ-KGLIPLIRSA-N 0 3 333.388 2.094 10 5 EEBEHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000417844011 313616061 /nfs/dbraw/zinc/61/60/61/313616061.db2.gz HHGAFNWIGNPCMH-GXFFZTMASA-N 0 3 342.346 2.261 10 5 EEBEHN CCN1CCN(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000577503587 320259691 /nfs/dbraw/zinc/25/96/91/320259691.db2.gz HQLYTUIEIGLZHL-UHFFFAOYSA-N 0 3 347.463 2.308 10 5 EEBEHN Cc1[nH]c2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1C ZINC000580642386 324102602 /nfs/dbraw/zinc/10/26/02/324102602.db2.gz VINLCJCMBBNION-HNNXBMFYSA-N 0 3 343.387 2.040 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000089602740 462697523 /nfs/dbraw/zinc/69/75/23/462697523.db2.gz OBMPLSLSLIQMKQ-GFCCVEGCSA-N 0 3 339.367 2.408 10 5 EEBEHN Cc1ccc(OCCN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090511926 462794507 /nfs/dbraw/zinc/79/45/07/462794507.db2.gz IQKZNNDMPIMAIR-UHFFFAOYSA-N 0 3 331.372 2.076 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108299338 463594954 /nfs/dbraw/zinc/59/49/54/463594954.db2.gz JRRSWBKEFXHZCG-AWEZNQCLSA-N 0 3 333.388 2.208 10 5 EEBEHN Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000261623578 463806330 /nfs/dbraw/zinc/80/63/30/463806330.db2.gz GIXDVEDXRWTTOJ-SUYBPPKGSA-N 0 3 333.388 2.374 10 5 EEBEHN COCCN1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000278813665 463992006 /nfs/dbraw/zinc/99/20/06/463992006.db2.gz SSEKWPOLXACBGJ-ZDUSSCGKSA-N 0 3 347.337 2.424 10 5 EEBEHN CCNC(=O)C[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000284913218 464390056 /nfs/dbraw/zinc/39/00/56/464390056.db2.gz VLHYMZIEYYSCFZ-OAHLLOKOSA-N 0 3 335.404 2.354 10 5 EEBEHN CC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000246628972 464606855 /nfs/dbraw/zinc/60/68/55/464606855.db2.gz NZDUYHFERLKHPI-UONOGXRCSA-N 0 3 344.415 2.424 10 5 EEBEHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090204 468439986 /nfs/dbraw/zinc/43/99/86/468439986.db2.gz JJBWVPZDXXYOOV-JTQLQIEISA-N 0 3 341.799 2.388 10 5 EEBEHN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H](c1ccccc1)N(C)C ZINC000357686248 466209959 /nfs/dbraw/zinc/20/99/59/466209959.db2.gz OQWDCGFGMDHODI-SJKOYZFVSA-N 0 3 340.387 2.741 10 5 EEBEHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000597205085 468479289 /nfs/dbraw/zinc/47/92/89/468479289.db2.gz LKLWUDJBMNUHRU-CHWSQXEVSA-N 0 3 344.415 2.444 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378503418 467324472 /nfs/dbraw/zinc/32/44/72/467324472.db2.gz AQXUPUKXMUNNAE-QAPCUYQASA-N 0 3 343.383 2.124 10 5 EEBEHN CCOc1ccc([C@@H](C)NCC[C@@](C)(O)COC)cc1[N+](=O)[O-] ZINC000453245468 467469649 /nfs/dbraw/zinc/46/96/49/467469649.db2.gz BWQCDARKPZBTDS-MLGOLLRUSA-N 0 3 326.393 2.432 10 5 EEBEHN O=C(NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cn1 ZINC000532134370 468099248 /nfs/dbraw/zinc/09/92/48/468099248.db2.gz RLZAWTRJYUYORY-UHFFFAOYSA-N 0 3 340.383 2.168 10 5 EEBEHN NC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)(F)F ZINC000594450183 468593843 /nfs/dbraw/zinc/59/38/43/468593843.db2.gz JMMDBMRXTKUPBE-SNVBAGLBSA-N 0 3 333.291 2.429 10 5 EEBEHN Cc1ccc([C@H](C)NC(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594524860 468615739 /nfs/dbraw/zinc/61/57/39/468615739.db2.gz MFPQEUUBFZGJGI-GZMMTYOYSA-N 0 3 334.298 2.153 10 5 EEBEHN CC(C)(NC(=O)N[C@@H](CN)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594524658 468615990 /nfs/dbraw/zinc/61/59/90/468615990.db2.gz LHTSEPKRRJZSNM-JTQLQIEISA-N 0 3 334.298 2.019 10 5 EEBEHN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178073 468647076 /nfs/dbraw/zinc/64/70/76/468647076.db2.gz OKHNNLWUDHZYBQ-INIZCTEOSA-N 0 3 347.415 2.137 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000594733525 468667974 /nfs/dbraw/zinc/66/79/74/468667974.db2.gz XKDUZCVXHSIPPU-WWGRRREGSA-N 0 3 338.429 2.394 10 5 EEBEHN Cc1cc(OCC(=O)NC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859519 468696449 /nfs/dbraw/zinc/69/64/49/468696449.db2.gz DZQCABLICXYPFT-ZDUSSCGKSA-N 0 3 335.404 2.271 10 5 EEBEHN CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CCN(C)C1 ZINC000597945978 468721408 /nfs/dbraw/zinc/72/14/08/468721408.db2.gz LNDDUDKTBBVUJG-CQSZACIVSA-N 0 3 343.387 2.151 10 5 EEBEHN Cn1cc(CN[C@H]2C[C@H](O)C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988237 468738741 /nfs/dbraw/zinc/73/87/41/468738741.db2.gz ODLRTYIZJMNBND-HOTGVXAUSA-N 0 3 342.399 2.388 10 5 EEBEHN CCC[C@H](NC[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595080700 468753795 /nfs/dbraw/zinc/75/37/95/468753795.db2.gz YQEOHPLOROYIFP-IRXDYDNUSA-N 0 3 338.404 2.194 10 5 EEBEHN O=C1N(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000595105161 468760340 /nfs/dbraw/zinc/76/03/40/468760340.db2.gz QRJYJAPGHRDLSQ-BBRMVZONSA-N 0 3 344.415 2.462 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000593030951 468845591 /nfs/dbraw/zinc/84/55/91/468845591.db2.gz TULDVQHLFDHUJV-NWANDNLSSA-N 0 3 334.372 2.285 10 5 EEBEHN COC(=O)c1ccnc(N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598636058 468940824 /nfs/dbraw/zinc/94/08/24/468940824.db2.gz CDSIVZVSWLNBPN-GFCCVEGCSA-N 0 3 336.392 2.309 10 5 EEBEHN C[C@@H](O)CN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000593468674 468994582 /nfs/dbraw/zinc/99/45/82/468994582.db2.gz DDVVAHOTVPYUBH-QWHCGFSZSA-N 0 3 330.388 2.034 10 5 EEBEHN COc1ccc(-c2ccc(CN[C@H]3C[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000593670498 469087569 /nfs/dbraw/zinc/08/75/69/469087569.db2.gz RYGZVXPFRIPREH-PHIMTYICSA-N 0 3 345.355 2.217 10 5 EEBEHN [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000593739081 469118290 /nfs/dbraw/zinc/11/82/90/469118290.db2.gz VIMNNQQLCOXJBA-SUYBPPKGSA-N 0 3 335.404 2.019 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCCC2)n1 ZINC000599164738 469144902 /nfs/dbraw/zinc/14/49/02/469144902.db2.gz LGQXNKDEVJNAIL-LBPRGKRZSA-N 0 3 334.376 2.205 10 5 EEBEHN Cc1c(NC(=O)CCN2CCOCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000611813183 469328237 /nfs/dbraw/zinc/32/82/37/469328237.db2.gz KURXLFGXSCHCCP-UHFFFAOYSA-N 0 3 333.388 2.344 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CNCC1(CO)CC3(CCC3)C1)OCCO2 ZINC000618969386 469482142 /nfs/dbraw/zinc/48/21/42/469482142.db2.gz LJPMDGSSXHSXRK-UHFFFAOYSA-N 0 3 348.399 2.398 10 5 EEBEHN CCN1CCC[C@H]1CN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000175166569 529099356 /nfs/dbraw/zinc/09/93/56/529099356.db2.gz MYMTZJPJWNOQJH-HNNXBMFYSA-N 0 3 346.431 2.408 10 5 EEBEHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(C)OCCCO1 ZINC000754124002 577800782 /nfs/dbraw/zinc/80/07/82/577800782.db2.gz RXYMHYBHOZIEME-GFCCVEGCSA-N 0 3 337.376 2.055 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000928448796 683197400 /nfs/dbraw/zinc/19/74/00/683197400.db2.gz OTHRJRAXXRDTFE-PELKAZGASA-N 0 3 342.193 2.180 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]([C@@H]3CCCO3)C1)OCCO2 ZINC000895842864 684740672 /nfs/dbraw/zinc/74/06/72/684740672.db2.gz GDXPPLYFXCMIKD-WFASDCNBSA-N 0 3 334.372 2.367 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896137145 684856083 /nfs/dbraw/zinc/85/60/83/684856083.db2.gz BOYSBCJAFIGWMS-AWEZNQCLSA-N 0 3 335.404 2.052 10 5 EEBEHN CC(F)(F)C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691130784 1177619721 /nfs/dbraw/zinc/61/97/21/1177619721.db2.gz MTNNYBZQPWENHN-UMSPYCQHSA-N 0 3 327.331 2.234 10 5 EEBEHN Cc1cnccc1CC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001481230154 1180364814 /nfs/dbraw/zinc/36/48/14/1180364814.db2.gz HXCJIYBAGWWFJQ-UHFFFAOYSA-N 0 3 342.399 2.089 10 5 EEBEHN O=C(NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1)C(F)F ZINC001270707853 1185331388 /nfs/dbraw/zinc/33/13/88/1185331388.db2.gz SQZZILJBRZYUSP-UHFFFAOYSA-N 0 3 327.331 2.379 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)C(C)(C)C ZINC001482914813 1187840182 /nfs/dbraw/zinc/84/01/82/1187840182.db2.gz USPYWDFBXUQPHO-UHFFFAOYSA-N 0 3 335.404 2.148 10 5 EEBEHN CC(C(=O)N(CCO)CCNCc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001272162210 1187968333 /nfs/dbraw/zinc/96/83/33/1187968333.db2.gz HTTXDYGBZGYBRR-UHFFFAOYSA-N 0 3 347.415 2.006 10 5 EEBEHN CNC(=O)C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000796609610 1221661173 /nfs/dbraw/zinc/66/11/73/1221661173.db2.gz BVBMHMOKSKXMMX-IRXDYDNUSA-N 0 3 343.383 2.095 10 5 EEBEHN CC(C)(C)[C@@H](C[NH3+])[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766926 1293911597 /nfs/dbraw/zinc/91/15/97/1293911597.db2.gz YNDFXTVCZJSWHI-LLVKDONJSA-N 0 3 331.319 2.056 10 5 EEBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000863035548 1296092596 /nfs/dbraw/zinc/09/25/96/1296092596.db2.gz XAXPXUCOUFHEPL-CYBMUJFWSA-N 0 3 348.359 2.250 10 5 EEBEHN CN1C(=O)c2ccccc2[C@@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863581899 1296344049 /nfs/dbraw/zinc/34/40/49/1296344049.db2.gz YBVDABXJJLFCBK-DLBZAZTESA-N 0 3 341.367 2.045 10 5 EEBEHN CC[C@@](O)(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC001119854714 1309228972 /nfs/dbraw/zinc/22/89/72/1309228972.db2.gz FMGQAZXSHORZIT-GFCCVEGCSA-N 0 3 336.314 2.132 10 5 EEBEHN CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001263620039 1322495315 /nfs/dbraw/zinc/49/53/15/1322495315.db2.gz JYEZUMZVJRJWSI-AWEZNQCLSA-N 0 3 349.387 2.047 10 5 EEBEHN Cc1cc[nH]c1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001265837728 1323413314 /nfs/dbraw/zinc/41/33/14/1323413314.db2.gz PULGYEFXWIHXFG-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN Cc1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c(C)n1C ZINC001317661807 1332356136 /nfs/dbraw/zinc/35/61/36/1332356136.db2.gz LVFRILFIJMXNTP-UHFFFAOYSA-N 0 3 344.415 2.412 10 5 EEBEHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000847043025 790859218 /nfs/dbraw/zinc/85/92/18/790859218.db2.gz DAFOKDQWPWWAPK-NWDGAFQWSA-N 0 3 346.214 2.152 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844442490 789126250 /nfs/dbraw/zinc/12/62/50/789126250.db2.gz YRVRKVDKKPIKCM-SWLSCSKDSA-N 0 3 342.342 2.456 10 5 EEBEHN CN(C)C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000116789760 282139221 /nfs/dbraw/zinc/13/92/21/282139221.db2.gz GOAYQAIRDBPTFS-AWEZNQCLSA-N 0 3 349.431 2.295 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000246595701 160286073 /nfs/dbraw/zinc/28/60/73/160286073.db2.gz ZFFCPKAIDPMIGQ-BXUZGUMPSA-N 0 3 336.392 2.454 10 5 EEBEHN Cc1ccc([C@@H]2CCCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000246864716 160298103 /nfs/dbraw/zinc/29/81/03/160298103.db2.gz FVAZTOOEQDQVNV-CABCVRRESA-N 0 3 334.376 2.281 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC000183223948 274119201 /nfs/dbraw/zinc/11/92/01/274119201.db2.gz SNYSXEUXOLLMDS-COPLHBTASA-N 0 3 337.376 2.088 10 5 EEBEHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000181999311 323361347 /nfs/dbraw/zinc/36/13/47/323361347.db2.gz XITAMUUGUPFNRC-LLVKDONJSA-N 0 3 335.335 2.255 10 5 EEBEHN CN1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000351169079 465086175 /nfs/dbraw/zinc/08/61/75/465086175.db2.gz XLRJUCGXUIVHNS-SNVBAGLBSA-N 0 3 329.360 2.422 10 5 EEBEHN C[C@@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(C)(C)CN(C)C ZINC000076023468 462788651 /nfs/dbraw/zinc/78/86/51/462788651.db2.gz OTIJMGMWSCLLKM-LLVKDONJSA-N 0 3 343.449 2.387 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000120835555 463044313 /nfs/dbraw/zinc/04/43/13/463044313.db2.gz VOZNRAXIKXPAOX-ZDUSSCGKSA-N 0 3 336.392 2.006 10 5 EEBEHN CN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2cnccc21 ZINC000095446828 463085861 /nfs/dbraw/zinc/08/58/61/463085861.db2.gz UIUYIJAMKNAHJH-UHFFFAOYSA-N 0 3 342.355 2.313 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000080598414 463334901 /nfs/dbraw/zinc/33/49/01/463334901.db2.gz OOCGQRJZVXCZKI-AWEZNQCLSA-N 0 3 334.420 2.311 10 5 EEBEHN C[C@H](NC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262119605 463952365 /nfs/dbraw/zinc/95/23/65/463952365.db2.gz BTFILWGKWXXMJP-NVJLRMAKSA-N 0 3 347.415 2.305 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263907581 464236074 /nfs/dbraw/zinc/23/60/74/464236074.db2.gz HWZOAVSEYGQKMF-HNNXBMFYSA-N 0 3 346.431 2.361 10 5 EEBEHN CN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000284569499 464246768 /nfs/dbraw/zinc/24/67/68/464246768.db2.gz OEBDRTLKVAVQAY-DLBZAZTESA-N 0 3 328.372 2.052 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180548474 464335560 /nfs/dbraw/zinc/33/55/60/464335560.db2.gz VWTVHWDLEKVPRK-VIFPVBQESA-N 0 3 342.193 2.181 10 5 EEBEHN Cc1c(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cccc1[N+](=O)[O-] ZINC000359554550 465452084 /nfs/dbraw/zinc/45/20/84/465452084.db2.gz WXDGTVCEWIDEJG-HNNXBMFYSA-N 0 3 330.388 2.059 10 5 EEBEHN CCN1CCCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362777912 466019866 /nfs/dbraw/zinc/01/98/66/466019866.db2.gz YEJUFIZRRDDHIQ-LLVKDONJSA-N 0 3 341.358 2.406 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341074250 466562617 /nfs/dbraw/zinc/56/26/17/466562617.db2.gz WQICWTBLTDWNHJ-OKILXGFUSA-N 0 3 335.404 2.353 10 5 EEBEHN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000415686402 466708569 /nfs/dbraw/zinc/70/85/69/466708569.db2.gz AFYPMJHCDPNXQE-UHFFFAOYSA-N 0 3 343.181 2.185 10 5 EEBEHN COC(=O)c1cnc(NC2CC(N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000373677732 466884959 /nfs/dbraw/zinc/88/49/59/466884959.db2.gz ABEWKKWOBKJINX-UHFFFAOYSA-N 0 3 334.376 2.205 10 5 EEBEHN Cc1ncccc1OC[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000419400568 467195422 /nfs/dbraw/zinc/19/54/22/467195422.db2.gz MQONSXYTPCFNDK-CQSZACIVSA-N 0 3 331.376 2.038 10 5 EEBEHN CN(CC(=O)NC[C@H]1CCN1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000600473947 468568512 /nfs/dbraw/zinc/56/85/12/468568512.db2.gz VECBRXZMHJNYIT-OAHLLOKOSA-N 0 3 346.431 2.164 10 5 EEBEHN C[C@@H]1CN(CCCCNc2ncc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601127485 468752756 /nfs/dbraw/zinc/75/27/56/468752756.db2.gz HMOYNKDENTZXDQ-TXEJJXNPSA-N 0 3 326.372 2.430 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595258650 468795405 /nfs/dbraw/zinc/79/54/05/468795405.db2.gz VBYYYQZSBVJFCG-INIZCTEOSA-N 0 3 342.355 2.211 10 5 EEBEHN C[C@@]12COC[C@]1(C)CN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595687860 468956360 /nfs/dbraw/zinc/95/63/60/468956360.db2.gz DMDSGYYUVUSIIB-RYQLBKOJSA-N 0 3 345.399 2.059 10 5 EEBEHN O=[N+]([O-])c1ccc(CCN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000602729556 469038386 /nfs/dbraw/zinc/03/83/86/469038386.db2.gz VWQXQJRLCJXRSH-QZTJIDSGSA-N 0 3 328.368 2.261 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000928433656 683113481 /nfs/dbraw/zinc/11/34/81/683113481.db2.gz AWPYVXULJNUTBD-SCZZXKLOSA-N 0 3 329.303 2.019 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)[C@H]2C1 ZINC000897825868 691793801 /nfs/dbraw/zinc/79/38/01/691793801.db2.gz QLXNTWYTPWHWKE-DOMZBBRYSA-N 0 3 340.383 2.106 10 5 EEBEHN COc1ccc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001268607212 1183515344 /nfs/dbraw/zinc/51/53/44/1183515344.db2.gz JCOYWRJZCAOPSJ-IHWYPQMZSA-N 0 3 345.355 2.272 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1cscn1 ZINC001483456761 1190485165 /nfs/dbraw/zinc/48/51/65/1190485165.db2.gz GBMZRMOVFDILOQ-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1COCCN1C ZINC000872090169 1198044590 /nfs/dbraw/zinc/04/45/90/1198044590.db2.gz MYFLAOKSUBVWON-YPMHNXCESA-N 0 3 325.434 2.298 10 5 EEBEHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105508 1201094103 /nfs/dbraw/zinc/09/41/03/1201094103.db2.gz NPKYBTBLABGCJB-HTQZYQBOSA-N 0 3 337.298 2.374 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(C)C(C)(C)CC1 ZINC000866110059 1201435132 /nfs/dbraw/zinc/43/51/32/1201435132.db2.gz QDRJTPDNUDEZRF-UHFFFAOYSA-N 0 3 335.330 2.268 10 5 EEBEHN Cc1c(CONC(=N)[C@H]2CN(C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000779651473 1210713871 /nfs/dbraw/zinc/71/38/71/1210713871.db2.gz DBDXQGHNAIUTOU-OAHLLOKOSA-N 0 3 336.392 2.011 10 5 EEBEHN CC[C@](O)(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC001119854715 1309228314 /nfs/dbraw/zinc/22/83/14/1309228314.db2.gz FMGQAZXSHORZIT-LBPRGKRZSA-N 0 3 336.314 2.132 10 5 EEBEHN O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)nc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001297051609 1329938947 /nfs/dbraw/zinc/93/89/47/1329938947.db2.gz UGMWGGVCLLEARB-LALPHHSUSA-N 0 3 332.404 2.096 10 5 EEBEHN O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001297051609 1329938950 /nfs/dbraw/zinc/93/89/50/1329938950.db2.gz UGMWGGVCLLEARB-LALPHHSUSA-N 0 3 332.404 2.096 10 5 EEBEHN CC(C)[C@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C ZINC001303528913 1331357846 /nfs/dbraw/zinc/35/78/46/1331357846.db2.gz SACLNHUYIPUDQN-MRXNPFEDSA-N 0 3 347.419 2.106 10 5 EEBEHN CN(CCCN(C)C(=O)c1cnco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001570204290 1343032059 /nfs/dbraw/zinc/03/20/59/1343032059.db2.gz LTFSVLGHRSVZTI-UHFFFAOYSA-N 0 3 332.360 2.177 10 5 EEBEHN CCc1cccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001663985615 1355067543 /nfs/dbraw/zinc/06/75/43/1355067543.db2.gz DBHZCUZPBYNCMQ-UHFFFAOYSA-N 0 3 342.399 2.414 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1F ZINC001668392816 1355933155 /nfs/dbraw/zinc/93/31/55/1355933155.db2.gz LGFKRKRVGKULAG-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN CCc1oncc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001669070300 1356082811 /nfs/dbraw/zinc/08/28/11/1356082811.db2.gz RWMVIKXXRIOTRT-ARJAWSKDSA-N 0 3 344.371 2.221 10 5 EEBEHN N[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1F ZINC000923394560 789488575 /nfs/dbraw/zinc/48/85/75/789488575.db2.gz DOOVSOLCDHGQPJ-VXGBXAGGSA-N 0 3 332.173 2.228 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)n1C ZINC001497348031 1102365226 /nfs/dbraw/zinc/36/52/26/1102365226.db2.gz AXEIWTVALPSUFW-UHFFFAOYSA-N 0 3 344.415 2.494 10 5 EEBEHN Cc1ccccc1CN1CCCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458098826 1109832191 /nfs/dbraw/zinc/83/21/91/1109832191.db2.gz VEOIDMZHOKVOMD-UHFFFAOYSA-N 0 3 329.404 2.349 10 5 EEBEHN CN1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C(C)(C)C1 ZINC001472029718 1110539181 /nfs/dbraw/zinc/53/91/81/1110539181.db2.gz VAANTTKSNYRLTN-OAHLLOKOSA-N 0 3 331.416 2.473 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451590611 243168380 /nfs/dbraw/zinc/16/83/80/243168380.db2.gz ZQVVXWJGSFEHEK-GLQYFDAESA-N 0 3 349.387 2.243 10 5 EEBEHN C[C@@H]1CN2CCC[C@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000246774213 243311995 /nfs/dbraw/zinc/31/19/95/243311995.db2.gz AYOMCBVWTGVRHT-DOMZBBRYSA-N 0 3 343.387 2.313 10 5 EEBEHN CNc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017508 218186164 /nfs/dbraw/zinc/18/61/64/218186164.db2.gz LTAWJAXSCXVOGL-INIZCTEOSA-N 0 3 348.447 2.181 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000153609287 224129167 /nfs/dbraw/zinc/12/91/67/224129167.db2.gz LVNGEWLARZIVRG-LLVKDONJSA-N 0 3 342.193 2.133 10 5 EEBEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000118792208 221184056 /nfs/dbraw/zinc/18/40/56/221184056.db2.gz QPVIBUDPONXJJG-LLVKDONJSA-N 0 3 342.783 2.043 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2CCCC[C@H]2C1 ZINC000246244328 160270115 /nfs/dbraw/zinc/27/01/15/160270115.db2.gz VNFISRBSCRGTGC-INIZCTEOSA-N 0 3 346.431 2.402 10 5 EEBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000348223883 161486381 /nfs/dbraw/zinc/48/63/81/161486381.db2.gz YIRYJKRKUNXPEL-CQSZACIVSA-N 0 3 332.404 2.010 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCN1C ZINC000122700073 222140158 /nfs/dbraw/zinc/14/01/58/222140158.db2.gz DJMHLGQOPBUXAC-UWVGGRQHSA-N 0 3 327.331 2.428 10 5 EEBEHN Cc1sc(C(=O)NCCCN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000278469472 274360825 /nfs/dbraw/zinc/36/08/25/274360825.db2.gz JRNVIDVMKQCAHJ-LLVKDONJSA-N 0 3 341.433 2.195 10 5 EEBEHN Cc1cc(N2CCNC[C@@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269260 274708921 /nfs/dbraw/zinc/70/89/21/274708921.db2.gz SYRITRDEWIZTKM-QGZVFWFLSA-N 0 3 345.378 2.498 10 5 EEBEHN CN(C)C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052554416 276767654 /nfs/dbraw/zinc/76/76/54/276767654.db2.gz NWLIHNPYUQJIQO-HNNXBMFYSA-N 0 3 343.383 2.393 10 5 EEBEHN Cc1cnn(CCN[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000105881600 463486202 /nfs/dbraw/zinc/48/62/02/463486202.db2.gz ZDMGAPPEZNACBA-CYBMUJFWSA-N 0 3 331.376 2.025 10 5 EEBEHN O=[N+]([O-])c1cccc(OCCN2CCNC[C@@H]2c2cccnc2)c1 ZINC000262110559 463949345 /nfs/dbraw/zinc/94/93/45/463949345.db2.gz AUWLWAMGLKUNAY-QGZVFWFLSA-N 0 3 328.372 2.015 10 5 EEBEHN CC(C)Oc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591083818 468405718 /nfs/dbraw/zinc/40/57/18/468405718.db2.gz VJEANMDGGXWXMH-HIFRSBDPSA-N 0 3 333.388 2.158 10 5 EEBEHN COc1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000249713060 464905758 /nfs/dbraw/zinc/90/57/58/464905758.db2.gz ZEKOTXKTSXXAFB-FZMZJTMJSA-N 0 3 335.404 2.467 10 5 EEBEHN C[C@H]1CCCN(c2ccc(C(=O)N(C)CCN(C)C)cc2[N+](=O)[O-])C1 ZINC000359553906 465451826 /nfs/dbraw/zinc/45/18/26/465451826.db2.gz VBHLTUQLMPNYBD-AWEZNQCLSA-N 0 3 348.447 2.465 10 5 EEBEHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000366204252 465592415 /nfs/dbraw/zinc/59/24/15/465592415.db2.gz URTMZNNEUQASAK-HNNXBMFYSA-N 0 3 340.383 2.384 10 5 EEBEHN CN(C)c1ncccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569350908 468477829 /nfs/dbraw/zinc/47/78/29/468477829.db2.gz BATANXSXURLXLB-UHFFFAOYSA-N 0 3 343.387 2.174 10 5 EEBEHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C ZINC000357850567 466263544 /nfs/dbraw/zinc/26/35/44/466263544.db2.gz AKWAXQYHZDPSHY-WBMJQRKESA-N 0 3 345.403 2.058 10 5 EEBEHN CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000347003244 466311587 /nfs/dbraw/zinc/31/15/87/466311587.db2.gz GBTKZZXTPUSIGR-AWEZNQCLSA-N 0 3 332.404 2.092 10 5 EEBEHN CC(C)(NC(=O)N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418776342 467158349 /nfs/dbraw/zinc/15/83/49/467158349.db2.gz XCSJDVMLEXHJOX-LBPRGKRZSA-N 0 3 342.346 2.126 10 5 EEBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420385707 467389977 /nfs/dbraw/zinc/38/99/77/467389977.db2.gz UELCJNBUSMVVOR-LRDDRELGSA-N 0 3 330.392 2.043 10 5 EEBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590443730 468258333 /nfs/dbraw/zinc/25/83/33/468258333.db2.gz GMIXLPDOCFSOMC-INMHGKMJSA-N 0 3 331.416 2.326 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590446581 468259311 /nfs/dbraw/zinc/25/93/11/468259311.db2.gz UWFAHOGXNSICRD-FZMZJTMJSA-N 0 3 335.429 2.483 10 5 EEBEHN C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594502348 468610363 /nfs/dbraw/zinc/61/03/63/468610363.db2.gz ZJDPZBVYUNYCKZ-VXGBXAGGSA-N 0 3 344.458 2.242 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCN(C2CC2)C1 ZINC000601104101 468742745 /nfs/dbraw/zinc/74/27/45/468742745.db2.gz PHBKBTHAWZSZIC-QMMMGPOBSA-N 0 3 333.314 2.243 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000598220894 468797056 /nfs/dbraw/zinc/79/70/56/468797056.db2.gz QVYOTJKENIORHQ-ZDUSSCGKSA-N 0 3 332.404 2.435 10 5 EEBEHN CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1 ZINC000598531823 468903028 /nfs/dbraw/zinc/90/30/28/468903028.db2.gz QGXZGOOJTBPAFI-CMPLNLGQSA-N 0 3 325.796 2.390 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536794 468905007 /nfs/dbraw/zinc/90/50/07/468905007.db2.gz XFXJUYQTPYRVPQ-WCQYABFASA-N 0 3 332.404 2.382 10 5 EEBEHN COC(=O)c1ccnc(NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000598632604 468939846 /nfs/dbraw/zinc/93/98/46/468939846.db2.gz GUNMCNQSPKRTPP-UHFFFAOYSA-N 0 3 334.376 2.205 10 5 EEBEHN Cn1nccc1[C@H](CO)N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599057237 469102769 /nfs/dbraw/zinc/10/27/69/469102769.db2.gz XZMMYXWNMATIPC-KBMXLJTQSA-N 0 3 344.415 2.363 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CCN(C)CC2)n1 ZINC000611538332 469274651 /nfs/dbraw/zinc/27/46/51/469274651.db2.gz MVIQHGHEKZBKOV-UHFFFAOYSA-N 0 3 343.387 2.069 10 5 EEBEHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000532392629 485543096 /nfs/dbraw/zinc/54/30/96/485543096.db2.gz RJKPSSANFXKGBR-ZDUSSCGKSA-N 0 3 328.372 2.240 10 5 EEBEHN CCN1CCN([C@@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245924486 535737990 /nfs/dbraw/zinc/73/79/90/535737990.db2.gz NXGVHYGBCQCVSC-CRAIPNDOSA-N 0 3 332.448 2.368 10 5 EEBEHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2COc3ccccc3O2)cc1 ZINC000776272767 577456174 /nfs/dbraw/zinc/45/61/74/577456174.db2.gz VZPAVDCGLYLXKD-LSDHHAIUSA-N 0 3 330.340 2.058 10 5 EEBEHN Cc1cc(F)cc(C(=O)Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000753095815 577781494 /nfs/dbraw/zinc/78/14/94/577781494.db2.gz WAEOHTDXZLIALI-UHFFFAOYSA-N 0 3 335.339 2.053 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](O)CN2CCCCC2)c1 ZINC000747208986 577940932 /nfs/dbraw/zinc/94/09/32/577940932.db2.gz BUNWIBRFMFLOEX-NSHDSACASA-N 0 3 327.356 2.001 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000866921337 686615011 /nfs/dbraw/zinc/61/50/11/686615011.db2.gz QRSFTGLKCDMSDT-WDEREUQCSA-N 0 3 347.462 2.116 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cscn1 ZINC001268482276 1182934509 /nfs/dbraw/zinc/93/45/09/1182934509.db2.gz OMDUQGWBZWGBFO-UHFFFAOYSA-N 0 3 348.428 2.232 10 5 EEBEHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102433 1201096942 /nfs/dbraw/zinc/09/69/42/1201096942.db2.gz FCLUOOXIWLQFES-HEHGZKQESA-N 0 3 348.399 2.194 10 5 EEBEHN CC(COC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)[N+](=O)[O-] ZINC000813106651 1201116380 /nfs/dbraw/zinc/11/63/80/1201116380.db2.gz FPEFRFBIASRWKA-MCIONIFRSA-N 0 3 336.388 2.118 10 5 EEBEHN CCc1ncoc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001276220840 1205841752 /nfs/dbraw/zinc/84/17/52/1205841752.db2.gz IAAIXGOAPHTRLB-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN O=C(CCN[C@@H]1CCCn2nccc21)Nc1ccccc1[N+](=O)[O-] ZINC001197239346 1284515673 /nfs/dbraw/zinc/51/56/73/1284515673.db2.gz NPNDXCWCDNFKDZ-GFCCVEGCSA-N 0 3 329.360 2.245 10 5 EEBEHN CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000855360833 1293188987 /nfs/dbraw/zinc/18/89/87/1293188987.db2.gz PCBYVIXERDZBAK-LLVKDONJSA-N 0 3 343.786 2.482 10 5 EEBEHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(CC)C1 ZINC000855490723 1293230196 /nfs/dbraw/zinc/23/01/96/1293230196.db2.gz KMFVAVCRDLHCSH-LBPRGKRZSA-N 0 3 339.367 2.055 10 5 EEBEHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(CC)C1 ZINC000855490722 1293230938 /nfs/dbraw/zinc/23/09/38/1293230938.db2.gz KMFVAVCRDLHCSH-GFCCVEGCSA-N 0 3 339.367 2.055 10 5 EEBEHN CC(C)(C)C(=O)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001280471034 1324241840 /nfs/dbraw/zinc/24/18/40/1324241840.db2.gz LUXMLOKRUKKNLC-UHFFFAOYSA-N 0 3 347.415 2.339 10 5 EEBEHN CCN(CCCNC(=O)C1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001316883707 1331950449 /nfs/dbraw/zinc/95/04/49/1331950449.db2.gz INTGESXANVCRJW-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN O=C(CCCF)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001325751344 1333953178 /nfs/dbraw/zinc/95/31/78/1333953178.db2.gz ICDPPFFBIFYSOA-GASCZTMLSA-N 0 3 335.379 2.235 10 5 EEBEHN O=C(CC1CC1)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001671920913 1356438685 /nfs/dbraw/zinc/43/86/85/1356438685.db2.gz DGFIWVXXJWDHFA-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN COCCN(CCN(C)C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445439 759970959 /nfs/dbraw/zinc/97/09/59/759970959.db2.gz BJDWPHVJXJSXOW-YPKPFQOOSA-N 0 3 335.404 2.035 10 5 EEBEHN CC(C)[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC001148133487 792180182 /nfs/dbraw/zinc/18/01/82/792180182.db2.gz VINJWJPXANYQCK-ZDUSSCGKSA-N 0 3 325.796 2.247 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000921839161 796901574 /nfs/dbraw/zinc/90/15/74/796901574.db2.gz XVKFMHYODWLPHK-GWCFXTLKSA-N 0 3 340.811 2.183 10 5 EEBEHN C[C@@H]1Cc2n[nH]cc2CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001460781108 1110323783 /nfs/dbraw/zinc/32/37/83/1110323783.db2.gz WWAAOSHBLHBLFV-GFCCVEGCSA-N 0 3 343.387 2.341 10 5 EEBEHN CCN1CCC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001472023058 1110538550 /nfs/dbraw/zinc/53/85/50/1110538550.db2.gz WIQMNJQILDTOOD-LBPRGKRZSA-N 0 3 325.796 2.391 10 5 EEBEHN CCN1[C@H](C)CN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001473599720 1110577458 /nfs/dbraw/zinc/57/74/58/1110577458.db2.gz QIMLKTQFQSFRPC-BETUJISGSA-N 0 3 335.404 2.296 10 5 EEBEHN O=C(Oc1cc2c(cc1[N+](=O)[O-])OCCO2)C12CCCN(CCC1)C2 ZINC001520418747 1119159142 /nfs/dbraw/zinc/15/91/42/1119159142.db2.gz VVEBXNGWDXBMOT-UHFFFAOYSA-N 0 3 348.355 2.147 10 5 EEBEHN C[C@@H]1CNC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000069133132 215362366 /nfs/dbraw/zinc/36/23/66/215362366.db2.gz ZUWXOEOZTRAFPB-DTORHVGOSA-N 0 3 342.193 2.180 10 5 EEBEHN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000245773450 243153709 /nfs/dbraw/zinc/15/37/09/243153709.db2.gz SGCAHHUXTSJHHZ-FJVHFBRSSA-N 0 3 333.432 2.385 10 5 EEBEHN COc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079489377 217232817 /nfs/dbraw/zinc/23/28/17/217232817.db2.gz NWHGMTKWTPEGMM-CQSZACIVSA-N 0 3 349.431 2.289 10 5 EEBEHN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000184612961 255934757 /nfs/dbraw/zinc/93/47/57/255934757.db2.gz VAYNEHHSKRFOKV-JTQLQIEISA-N 0 3 335.360 2.430 10 5 EEBEHN COc1ccc(OCCN[C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000352033710 162039250 /nfs/dbraw/zinc/03/92/50/162039250.db2.gz VSMSTRRRHPDUGR-CYBMUJFWSA-N 0 3 338.385 2.367 10 5 EEBEHN CCN1CCN(C[C@@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359079012 164052561 /nfs/dbraw/zinc/05/25/61/164052561.db2.gz AJYDIPAWYMCRJD-ZDUSSCGKSA-N 0 3 335.452 2.292 10 5 EEBEHN Cc1cnc(N2CC[C@@H](OCCN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000095974198 292912916 /nfs/dbraw/zinc/91/29/16/292912916.db2.gz PYRJATUYYPEWFR-OAHLLOKOSA-N 0 3 334.420 2.379 10 5 EEBEHN CC[C@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000540952847 318087420 /nfs/dbraw/zinc/08/74/20/318087420.db2.gz WYSPIVJPVYLOGW-HOCLYGCPSA-N 0 3 334.420 2.317 10 5 EEBEHN CCOC(=O)c1ccnc(NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000077928860 463072521 /nfs/dbraw/zinc/07/25/21/463072521.db2.gz MKMDLWMBEFFQQO-LBPRGKRZSA-N 0 3 336.392 2.453 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134845141 463086814 /nfs/dbraw/zinc/08/68/14/463086814.db2.gz JTLJSSHZXJVMFI-CYBMUJFWSA-N 0 3 341.795 2.089 10 5 EEBEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282432817 464818015 /nfs/dbraw/zinc/81/80/15/464818015.db2.gz RLRWAOQMMMENHL-KWQFWETISA-N 0 3 342.193 2.114 10 5 EEBEHN CN1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000554859434 468446825 /nfs/dbraw/zinc/44/68/25/468446825.db2.gz KVIWNUBERIAROQ-MFKMUULPSA-N 0 3 349.416 2.192 10 5 EEBEHN CC(C)N1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362577731 465845613 /nfs/dbraw/zinc/84/56/13/465845613.db2.gz BLDUHKIAXMRFGW-UHFFFAOYSA-N 0 3 341.358 2.358 10 5 EEBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000597210060 468480469 /nfs/dbraw/zinc/48/04/69/468480469.db2.gz TZMXEJIZSOYJDP-VNHYZAJKSA-N 0 3 340.445 2.471 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000341056375 466547956 /nfs/dbraw/zinc/54/79/56/466547956.db2.gz JDDKMVNQJVICPI-ZIAGYGMSSA-N 0 3 335.404 2.353 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000341063624 466555227 /nfs/dbraw/zinc/55/52/27/466555227.db2.gz RGYUXFRAAIKNQN-OKILXGFUSA-N 0 3 334.420 2.386 10 5 EEBEHN CCOc1cc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000372804183 466595482 /nfs/dbraw/zinc/59/54/82/466595482.db2.gz FEWIRSGPFVZHSI-CABCVRRESA-N 0 3 347.415 2.484 10 5 EEBEHN CCOc1ccc([C@H](C)NCC[C@@](C)(O)COC)cc1[N+](=O)[O-] ZINC000453245466 467469492 /nfs/dbraw/zinc/46/94/92/467469492.db2.gz BWQCDARKPZBTDS-BLLLJJGKSA-N 0 3 326.393 2.432 10 5 EEBEHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000449433988 467644657 /nfs/dbraw/zinc/64/46/57/467644657.db2.gz OSSJYPCGMWDPQM-RIEWGPACSA-N 0 3 332.400 2.470 10 5 EEBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000590445671 468259520 /nfs/dbraw/zinc/25/95/20/468259520.db2.gz RIVIKFFHZRGSIR-SLEUVZQESA-N 0 3 335.429 2.238 10 5 EEBEHN C[C@H]1CCN(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000594359905 468561876 /nfs/dbraw/zinc/56/18/76/468561876.db2.gz RDDJMAUDJMFQKT-LBPRGKRZSA-N 0 3 330.388 2.077 10 5 EEBEHN CC(C)(NC(=O)N[C@@H](CN)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000594525982 468615631 /nfs/dbraw/zinc/61/56/31/468615631.db2.gz ZJUPXVIURGOLPJ-JTQLQIEISA-N 0 3 334.298 2.019 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000597696041 468642210 /nfs/dbraw/zinc/64/22/10/468642210.db2.gz VAEMIELGRDPAEG-DOTOQJQBSA-N 0 3 347.415 2.147 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000571364321 468776629 /nfs/dbraw/zinc/77/66/29/468776629.db2.gz AYSZFPLLKMBLEG-DZGCQCFKSA-N 0 3 336.779 2.083 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592899497 468818946 /nfs/dbraw/zinc/81/89/46/468818946.db2.gz TWTAEUAXAHLBKY-UHFFFAOYSA-N 0 3 347.415 2.148 10 5 EEBEHN COc1cccc([C@@]2(C)CCN(CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000595763479 468995214 /nfs/dbraw/zinc/99/52/14/468995214.db2.gz FFTUZINVTCKAJI-KRWDZBQOSA-N 0 3 330.388 2.464 10 5 EEBEHN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000610733163 469053458 /nfs/dbraw/zinc/05/34/58/469053458.db2.gz ZXKCZLQKGCMZFA-OAHLLOKOSA-N 0 3 347.415 2.312 10 5 EEBEHN CCN1CCN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000596077221 469143621 /nfs/dbraw/zinc/14/36/21/469143621.db2.gz RDPCSVBMTSGCKK-UHFFFAOYSA-N 0 3 329.404 2.192 10 5 EEBEHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN1C1CCCC1 ZINC000599165756 469144845 /nfs/dbraw/zinc/14/48/45/469144845.db2.gz RZVZLZQPMIUPLT-AWEZNQCLSA-N 0 3 332.404 2.383 10 5 EEBEHN O=[N+]([O-])c1cc(CN2CCCN(C[C@H]3CCCO3)CC2)cs1 ZINC000604082095 469456454 /nfs/dbraw/zinc/45/64/54/469456454.db2.gz QKQTUEHDWMLMDX-CQSZACIVSA-N 0 3 325.434 2.343 10 5 EEBEHN O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CCCCN3C3CC3)cc2N1 ZINC000764942081 577491394 /nfs/dbraw/zinc/49/13/94/577491394.db2.gz RFSSPJVKTLBISM-GFCCVEGCSA-N 0 3 346.387 2.355 10 5 EEBEHN COCCN(CCN(C)C)C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752031765 577764914 /nfs/dbraw/zinc/76/49/14/577764914.db2.gz YKMVSSAWBRMZON-BUHFOSPRSA-N 0 3 335.404 2.035 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CN(C2CCOCC2)C1 ZINC000899936593 1188654215 /nfs/dbraw/zinc/65/42/15/1188654215.db2.gz AYDKPUDOIHORJZ-UHFFFAOYSA-N 0 3 333.388 2.261 10 5 EEBEHN Cc1conc1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001484658839 1191460832 /nfs/dbraw/zinc/46/08/32/1191460832.db2.gz PWNLJKBSVQCRLL-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN C[C@@H](NC[C@H](C)CN1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038193 1198033155 /nfs/dbraw/zinc/03/31/55/1198033155.db2.gz LGMUXOUOUOHPKL-QWHCGFSZSA-N 0 3 325.384 2.353 10 5 EEBEHN Cc1c(CN2CCC(Cc3nncn3C)CC2)cccc1[N+](=O)[O-] ZINC001197946930 1284907589 /nfs/dbraw/zinc/90/75/89/1284907589.db2.gz GYOIWGHHPOSSLC-UHFFFAOYSA-N 0 3 329.404 2.486 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)CN(C)C)c1 ZINC000841529252 1315572066 /nfs/dbraw/zinc/57/20/66/1315572066.db2.gz FOOFWTKUDUGBFC-UHFFFAOYSA-N 0 3 349.840 2.175 10 5 EEBEHN CN1CCC(N(Cc2ccccc2)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001620567863 1352360507 /nfs/dbraw/zinc/36/05/07/1352360507.db2.gz SEGOOSQECLIATJ-UHFFFAOYSA-N 0 3 343.387 2.055 10 5 EEBEHN CN1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001558503798 1342479302 /nfs/dbraw/zinc/47/93/02/1342479302.db2.gz RIMNMDZMHRMYNB-HNNXBMFYSA-N 0 3 330.388 2.075 10 5 EEBEHN CN1CCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001633132519 1352606391 /nfs/dbraw/zinc/60/63/91/1352606391.db2.gz NNKANAWUFUNIRD-GFCCVEGCSA-N 0 3 328.372 2.154 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)on1 ZINC001668357627 1355928793 /nfs/dbraw/zinc/92/87/93/1355928793.db2.gz UEJCCYKMQHFKSE-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000908346860 785339449 /nfs/dbraw/zinc/33/94/49/785339449.db2.gz ILXBLGVRRPXUAE-PELKAZGASA-N 0 3 327.743 2.163 10 5 EEBEHN Cc1conc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001566506623 1125675538 /nfs/dbraw/zinc/67/55/38/1125675538.db2.gz RKLDQKIOVBRPOK-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN NC(=O)c1ccc(CN[C@H]2CCOC23CCCCC3)c([N+](=O)[O-])c1 ZINC001473856725 1110582325 /nfs/dbraw/zinc/58/23/25/1110582325.db2.gz QRHGNZVAQUHEFZ-HNNXBMFYSA-N 0 3 333.388 2.275 10 5 EEBEHN Cc1cc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)cc([N+](=O)[O-])c1 ZINC001517922029 1119047136 /nfs/dbraw/zinc/04/71/36/1119047136.db2.gz IYFOMXKPJCTCPV-HNNXBMFYSA-N 0 3 348.403 2.278 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@](O)(CO)C3)o2)c1 ZINC000459665006 245201201 /nfs/dbraw/zinc/20/12/01/245201201.db2.gz BMYUGOVBUAOMBD-QGZVFWFLSA-N 0 3 332.356 2.174 10 5 EEBEHN CN(CCN(C)C1CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000354082583 153096260 /nfs/dbraw/zinc/09/62/60/153096260.db2.gz NLNLAURZBZVDMG-UHFFFAOYSA-N 0 3 343.330 2.362 10 5 EEBEHN CC1(C)OCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295247803 293660690 /nfs/dbraw/zinc/66/06/90/293660690.db2.gz QBBBXTFFJFWPOB-GFCCVEGCSA-N 0 3 327.768 2.344 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000590663870 468299391 /nfs/dbraw/zinc/29/93/91/468299391.db2.gz ZUCDFYBVJOTKES-HNNXBMFYSA-N 0 3 335.404 2.296 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2noc(CN3CCCN(C4CC4)CC3)n2)c1 ZINC000061041220 462574963 /nfs/dbraw/zinc/57/49/63/462574963.db2.gz HFQUHBAGTKGFGS-UHFFFAOYSA-N 0 3 343.387 2.315 10 5 EEBEHN CC(C)[NH+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000064243958 462690929 /nfs/dbraw/zinc/69/09/29/462690929.db2.gz HLZXKDXNYIWXHU-UHFFFAOYSA-N 0 3 335.451 2.053 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000249280004 464859090 /nfs/dbraw/zinc/85/90/90/464859090.db2.gz NCFNGRXITJRBCP-SMDDNHRTSA-N 0 3 336.392 2.454 10 5 EEBEHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CN2CCC1CC2 ZINC000347941081 465323268 /nfs/dbraw/zinc/32/32/68/465323268.db2.gz GYMCYQWAKIEGJB-KRWDZBQOSA-N 0 3 342.399 2.102 10 5 EEBEHN C[C@H](C(=O)N(C)[C@@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000349157516 466000885 /nfs/dbraw/zinc/00/08/85/466000885.db2.gz YTOSZGRLBCZPME-MEDUHNTESA-N 0 3 335.379 2.390 10 5 EEBEHN COC(=O)COc1ccc(CN[C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000338473389 466155071 /nfs/dbraw/zinc/15/50/71/466155071.db2.gz DAESRLAKRGKUBI-ZDUSSCGKSA-N 0 3 340.401 2.130 10 5 EEBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363419519 466392732 /nfs/dbraw/zinc/39/27/32/466392732.db2.gz VXNHTYDRCAJZQB-QAPCUYQASA-N 0 3 332.448 2.368 10 5 EEBEHN C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CN1CCO ZINC000419009378 467161638 /nfs/dbraw/zinc/16/16/38/467161638.db2.gz VXPFMMUKZQTKEU-STQMWFEESA-N 0 3 330.388 2.034 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)CN2CCCC2)n1 ZINC000452346011 467352991 /nfs/dbraw/zinc/35/29/91/467352991.db2.gz TWMNJXHQNPYIFR-ZDUSSCGKSA-N 0 3 337.424 2.052 10 5 EEBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1COCCOC1 ZINC000589949769 468198695 /nfs/dbraw/zinc/19/86/95/468198695.db2.gz NMXKYXHKMDYGJJ-LBPRGKRZSA-N 0 3 326.418 2.471 10 5 EEBEHN C[C@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594502346 468610385 /nfs/dbraw/zinc/61/03/85/468610385.db2.gz ZJDPZBVYUNYCKZ-NWDGAFQWSA-N 0 3 344.458 2.242 10 5 EEBEHN Cc1ccccc1-n1cc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000592366077 468684281 /nfs/dbraw/zinc/68/42/81/468684281.db2.gz XCMFPBPRFZGVJG-UHFFFAOYSA-N 0 3 326.360 2.075 10 5 EEBEHN COc1ccc(CC(=O)NC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858174 468695607 /nfs/dbraw/zinc/69/56/07/468695607.db2.gz LJTMGTWWHSVXGH-CYBMUJFWSA-N 0 3 335.404 2.135 10 5 EEBEHN Cn1cc(CN[C@@H]2C[C@H](O)C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988236 468739218 /nfs/dbraw/zinc/73/92/18/468739218.db2.gz ODLRTYIZJMNBND-CVEARBPZSA-N 0 3 342.399 2.388 10 5 EEBEHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164500 468767067 /nfs/dbraw/zinc/76/70/67/468767067.db2.gz XEOKTLNYBOSROJ-ZJUUUORDSA-N 0 3 347.341 2.410 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000592953546 468826966 /nfs/dbraw/zinc/82/69/66/468826966.db2.gz VPBKPDLJSPZPNI-INIZCTEOSA-N 0 3 341.367 2.302 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000593030950 468845622 /nfs/dbraw/zinc/84/56/22/468845622.db2.gz TULDVQHLFDHUJV-CFVMTHIKSA-N 0 3 334.372 2.285 10 5 EEBEHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593670777 469087547 /nfs/dbraw/zinc/08/75/47/469087547.db2.gz IMTMHSDTJXCBCF-LSDHHAIUSA-N 0 3 332.356 2.436 10 5 EEBEHN C[C@H](C(=O)Nc1cnn(CCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000617715317 469768756 /nfs/dbraw/zinc/76/87/56/469768756.db2.gz AJFOKXDZZMBBFN-LBPRGKRZSA-N 0 3 331.376 2.095 10 5 EEBEHN CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000596417738 485611635 /nfs/dbraw/zinc/61/16/35/485611635.db2.gz JUJPDJKMNHJYKP-HNNXBMFYSA-N 0 3 334.420 2.263 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000771258580 577612667 /nfs/dbraw/zinc/61/26/67/577612667.db2.gz WYYYRVOLJHCQLR-QWHCGFSZSA-N 0 3 329.397 2.224 10 5 EEBEHN COCCC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001267830011 1180597378 /nfs/dbraw/zinc/59/73/78/1180597378.db2.gz JJOBDPWZOLBROO-UHFFFAOYSA-N 0 3 335.404 2.150 10 5 EEBEHN Cc1ccc(CC(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001481314807 1181010365 /nfs/dbraw/zinc/01/03/65/1181010365.db2.gz MGBGTUUYUUFGTA-UHFFFAOYSA-N 0 3 342.399 2.089 10 5 EEBEHN C[C@@H](NCC(C)(C)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020290 1198026950 /nfs/dbraw/zinc/02/69/50/1198026950.db2.gz FJQMEKUXIVYBSW-CYBMUJFWSA-N 0 3 338.427 2.411 10 5 EEBEHN CN(C)CCN(C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001137120786 1199933948 /nfs/dbraw/zinc/93/39/48/1199933948.db2.gz GXMPYGLYVZECBS-UHFFFAOYSA-N 0 3 328.372 2.290 10 5 EEBEHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1(CF)CCC1 ZINC001491055018 1258622966 /nfs/dbraw/zinc/62/29/66/1258622966.db2.gz CGXBUNCGOSLIPO-OKILXGFUSA-N 0 3 335.379 2.471 10 5 EEBEHN Cn1ncc2c1CC(C)(C)CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000854058516 1292602725 /nfs/dbraw/zinc/60/27/25/1292602725.db2.gz OXZYGCGWCUMBLI-KRWDZBQOSA-N 0 3 344.415 2.446 10 5 EEBEHN CN1CCN(Cc2cccc(CNc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC001117746890 1306160044 /nfs/dbraw/zinc/16/00/44/1306160044.db2.gz FUAROTXBQXZQGE-UHFFFAOYSA-N 0 3 341.415 2.349 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC001150119503 1316165973 /nfs/dbraw/zinc/16/59/73/1316165973.db2.gz DVVHMQQUXLMVET-DGCLKSJQSA-N 0 3 333.388 2.206 10 5 EEBEHN CNc1ccc(C(=O)OC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC001263620690 1322495929 /nfs/dbraw/zinc/49/59/29/1322495929.db2.gz ZVVZPCAXWGXWRI-AWEZNQCLSA-N 0 3 349.387 2.047 10 5 EEBEHN COCCC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001265481331 1323176627 /nfs/dbraw/zinc/17/66/27/1323176627.db2.gz FFILLIAMDYWIBD-SHTZXODSSA-N 0 3 347.415 2.148 10 5 EEBEHN CCc1n[nH]cc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001322591384 1333289227 /nfs/dbraw/zinc/28/92/27/1333289227.db2.gz JIOVZKPRVOLEMJ-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN O=[N+]([O-])c1cc(Cl)cnc1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001655814946 1354185963 /nfs/dbraw/zinc/18/59/63/1354185963.db2.gz NFWXBINGGUTPNF-CYBMUJFWSA-N 0 3 334.763 2.500 10 5 EEBEHN C[C@@H]1CC[C@](CO)(NCCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001656510946 1354243857 /nfs/dbraw/zinc/24/38/57/1354243857.db2.gz KMIQJHCEZCVRBM-CXAGYDPISA-N 0 3 330.388 2.166 10 5 EEBEHN COc1ccc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001660341259 1354443928 /nfs/dbraw/zinc/44/39/28/1354443928.db2.gz JFKGTLVCGXPOSO-UHFFFAOYSA-N 0 3 347.371 2.448 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000921419983 773348662 /nfs/dbraw/zinc/34/86/62/773348662.db2.gz QNRMHCJZAWMAGA-RNCFNFMXSA-N 0 3 326.784 2.140 10 5 EEBEHN CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000912397631 788159528 /nfs/dbraw/zinc/15/95/28/788159528.db2.gz CJMQCOWHFSKBJV-NSHDSACASA-N 0 3 340.811 2.387 10 5 EEBEHN C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(F)c1 ZINC001457856928 1109797164 /nfs/dbraw/zinc/79/71/64/1109797164.db2.gz FNXZQVDPYHBHEJ-UHFFFAOYSA-N 0 3 334.307 2.148 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@H](O)CN2CCCCC2)ccc2ncccc21 ZINC000112074292 285078572 /nfs/dbraw/zinc/07/85/72/285078572.db2.gz YWDFREMDXTZGAA-ZDUSSCGKSA-N 0 3 330.388 2.402 10 5 EEBEHN Cn1cc([C@@H]2CCCN2CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000173320091 152157707 /nfs/dbraw/zinc/15/77/07/152157707.db2.gz HUNJYVXLGVFKSF-HNNXBMFYSA-N 0 3 343.387 2.494 10 5 EEBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000184765490 160016995 /nfs/dbraw/zinc/01/69/95/160016995.db2.gz FNIRSCJSEWVHKC-NVXWUHKLSA-N 0 3 331.416 2.470 10 5 EEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000247081146 160309733 /nfs/dbraw/zinc/30/97/33/160309733.db2.gz ZJHLIHASBSSJPQ-KBPBESRZSA-N 0 3 333.388 2.302 10 5 EEBEHN CN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000344425246 161226499 /nfs/dbraw/zinc/22/64/99/161226499.db2.gz VNWVTVFXUXPOLL-UHFFFAOYSA-N 0 3 341.415 2.349 10 5 EEBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NCc1ccco1 ZINC000344862589 161251882 /nfs/dbraw/zinc/25/18/82/161251882.db2.gz LFNAONMJYVYYMC-MDWZMJQESA-N 0 3 329.356 2.497 10 5 EEBEHN COc1ccc(OCCN[C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000352033711 162039232 /nfs/dbraw/zinc/03/92/32/162039232.db2.gz VSMSTRRRHPDUGR-ZDUSSCGKSA-N 0 3 338.385 2.367 10 5 EEBEHN C[C@@H]1CCCN(c2ccc(C(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000339860750 287360493 /nfs/dbraw/zinc/36/04/93/287360493.db2.gz CPAGAQNHADGPRU-CYBMUJFWSA-N 0 3 334.420 2.123 10 5 EEBEHN Cc1cc(N2CCC[C@H](NCc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000277728683 269176348 /nfs/dbraw/zinc/17/63/48/269176348.db2.gz OJCNLQDTKQVBHD-HNNXBMFYSA-N 0 3 329.404 2.395 10 5 EEBEHN COc1cnccc1N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000360243889 278076925 /nfs/dbraw/zinc/07/69/25/278076925.db2.gz YIARLKPCFSJVTH-UHFFFAOYSA-N 0 3 329.360 2.028 10 5 EEBEHN C[C@H]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000334033397 312231275 /nfs/dbraw/zinc/23/12/75/312231275.db2.gz YCWFMGGKMJIUSX-GXSJLCMTSA-N 0 3 343.330 2.409 10 5 EEBEHN CN(CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000540925478 318084075 /nfs/dbraw/zinc/08/40/75/318084075.db2.gz SZHZHXKOVRPCSN-UHFFFAOYSA-N 0 3 344.371 2.011 10 5 EEBEHN C[C@@H]1CCOCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129981371 462734148 /nfs/dbraw/zinc/73/41/48/462734148.db2.gz PSKZCSIANBQAKD-LLVKDONJSA-N 0 3 325.340 2.173 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCN1C ZINC000160422107 463337213 /nfs/dbraw/zinc/33/72/13/463337213.db2.gz HLNMNABBMQUREG-VHSXEESVSA-N 0 3 327.331 2.428 10 5 EEBEHN C[C@@H](CCN1CCN(C)CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000185873465 463895937 /nfs/dbraw/zinc/89/59/37/463895937.db2.gz XVHZEUWPBPKXPE-ZDUSSCGKSA-N 0 3 340.855 2.364 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294807449 464611689 /nfs/dbraw/zinc/61/16/89/464611689.db2.gz PJOVRDVVVVTSHP-JTQLQIEISA-N 0 3 331.294 2.438 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282241155 464748749 /nfs/dbraw/zinc/74/87/49/464748749.db2.gz ZZUYMSKHTSPYOB-AWEZNQCLSA-N 0 3 344.419 2.204 10 5 EEBEHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183160542 464812538 /nfs/dbraw/zinc/81/25/38/464812538.db2.gz TVQMMDIKEDLWDD-PGUXBMHVSA-N 0 3 337.376 2.088 10 5 EEBEHN CC[C@@H]1CN(CC(C)(C)O)[C@@H](CC)CN1c1ccc([N+](=O)[O-])cn1 ZINC000252539887 464983095 /nfs/dbraw/zinc/98/30/95/464983095.db2.gz OQAMNCASRFQGEC-UONOGXRCSA-N 0 3 336.436 2.440 10 5 EEBEHN CCOC(=O)C[C@H]1C[C@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000372284355 466277638 /nfs/dbraw/zinc/27/76/38/466277638.db2.gz ZBZMVYXIFLVXOZ-CVEARBPZSA-N 0 3 336.388 2.180 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CNCCO2)c2ccccc2)c1 ZINC000423561994 466773798 /nfs/dbraw/zinc/77/37/98/466773798.db2.gz KFKDQNYIRRFTPY-MSOLQXFVSA-N 0 3 327.384 2.262 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@H]2CCCCN2CCO)c2ccncc21 ZINC000450616304 467880164 /nfs/dbraw/zinc/88/01/64/467880164.db2.gz PGDDDOHOHYLJIY-CYBMUJFWSA-N 0 3 330.388 2.402 10 5 EEBEHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570276765 468616292 /nfs/dbraw/zinc/61/62/92/468616292.db2.gz QWAKFUPAOGCSGY-STQMWFEESA-N 0 3 338.408 2.091 10 5 EEBEHN CN1CCC(n2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000601768354 469015375 /nfs/dbraw/zinc/01/53/75/469015375.db2.gz AWMKKTCXYZEBOU-UHFFFAOYSA-N 0 3 343.387 2.239 10 5 EEBEHN COc1ccc([N-]C(=O)c2cc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000595950518 469096274 /nfs/dbraw/zinc/09/62/74/469096274.db2.gz GMZIAMOPIRVSAX-UHFFFAOYSA-N 0 3 346.343 2.311 10 5 EEBEHN COc1cc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])cc1F ZINC000596084495 469147350 /nfs/dbraw/zinc/14/73/50/469147350.db2.gz AGEGKZXGRPEXOZ-UHFFFAOYSA-N 0 3 327.356 2.001 10 5 EEBEHN CN1CCC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611513272 469269355 /nfs/dbraw/zinc/26/93/55/469269355.db2.gz COZVHCSQCHHOQZ-CYBMUJFWSA-N 0 3 340.811 2.184 10 5 EEBEHN CN(C(=O)CN[C@]1(CO)CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599594469 469303115 /nfs/dbraw/zinc/30/31/15/469303115.db2.gz LOOBJVPYMGCBIN-GOSISDBHSA-N 0 3 349.431 2.479 10 5 EEBEHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000573635979 517758909 /nfs/dbraw/zinc/75/89/09/517758909.db2.gz BIIYVBWKHPXHHI-BXUZGUMPSA-N 0 3 332.360 2.442 10 5 EEBEHN CC/C(C)=C/C(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001269986185 1184764729 /nfs/dbraw/zinc/76/47/29/1184764729.db2.gz VKKACOYUYOOOMX-VTHZWRTPSA-N 0 3 349.435 2.202 10 5 EEBEHN C[C@H](NC[C@H]1CCCCN1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075098 1198040821 /nfs/dbraw/zinc/04/08/21/1198040821.db2.gz OAJNPYCPCGGOJD-QWHCGFSZSA-N 0 3 325.384 2.231 10 5 EEBEHN CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1(C)C ZINC000871153284 1201073207 /nfs/dbraw/zinc/07/32/07/1201073207.db2.gz JXDIDXNXILLZMY-UHFFFAOYSA-N 0 3 339.367 2.055 10 5 EEBEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813109607 1201121598 /nfs/dbraw/zinc/12/15/98/1201121598.db2.gz MZAHOSYYPZLZMJ-VXNVDRBHSA-N 0 3 347.293 2.117 10 5 EEBEHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928443978 1206384881 /nfs/dbraw/zinc/38/48/81/1206384881.db2.gz HQCNOVICHXEDJF-JFGNBEQYSA-N 0 3 341.795 2.224 10 5 EEBEHN C[C@@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850560988 1277267067 /nfs/dbraw/zinc/26/70/67/1277267067.db2.gz HEDAMXAUCUFERW-OCCSQVGLSA-N 0 3 347.419 2.118 10 5 EEBEHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1N(C)C ZINC001295851130 1329849044 /nfs/dbraw/zinc/84/90/44/1329849044.db2.gz CPTFATXJFIYZEN-KBPBESRZSA-N 0 3 341.408 2.160 10 5 EEBEHN CN(CCNCc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317586132 1332310031 /nfs/dbraw/zinc/31/00/31/1332310031.db2.gz ZAEIMVDGDGDLTH-NOZJJQNGSA-N 0 3 346.214 2.207 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCn1cccc1 ZINC001317641273 1332343661 /nfs/dbraw/zinc/34/36/61/1332343661.db2.gz FOWVUXAXEWSFAJ-UHFFFAOYSA-N 0 3 330.388 2.035 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccnn1C ZINC001659865056 1354388659 /nfs/dbraw/zinc/38/86/59/1354388659.db2.gz ALOBVMXMZVLFRB-LLVKDONJSA-N 0 3 347.375 2.016 10 5 EEBEHN CN(CCCNC(=O)c1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479773778 1098950824 /nfs/dbraw/zinc/95/08/24/1098950824.db2.gz HWTRGCRINYXMCO-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN C/C=C(\C)C(=O)N1CCC(CCNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001495406251 1101126341 /nfs/dbraw/zinc/12/63/41/1101126341.db2.gz LYGPJTBZWZABEZ-YIXHJXPBSA-N 0 3 349.435 2.013 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1conc1C1CC1 ZINC001493694206 1108519985 /nfs/dbraw/zinc/51/99/85/1108519985.db2.gz WMZNQDAFVIQUCB-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2)n1 ZINC000191474392 237256050 /nfs/dbraw/zinc/25/60/50/237256050.db2.gz HCGOXNAGWVBCKN-UHFFFAOYSA-N 0 3 345.403 2.015 10 5 EEBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000246982783 243344518 /nfs/dbraw/zinc/34/45/18/243344518.db2.gz DZJNXNLGSQQXCB-WFASDCNBSA-N 0 3 344.415 2.478 10 5 EEBEHN C[C@@H](NC(C)(C)CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270804895 256173939 /nfs/dbraw/zinc/17/39/39/256173939.db2.gz OIJWAKNQPHGBAD-GFCCVEGCSA-N 0 3 345.403 2.188 10 5 EEBEHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1-n1cccn1 ZINC000183134652 278348992 /nfs/dbraw/zinc/34/89/92/278348992.db2.gz BDSIMOVBAYKFHD-CYBMUJFWSA-N 0 3 326.360 2.328 10 5 EEBEHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000547437948 318288589 /nfs/dbraw/zinc/28/85/89/318288589.db2.gz JOKIGFSVHLGWJT-BLLLJJGKSA-N 0 3 328.372 2.411 10 5 EEBEHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000548365100 318381700 /nfs/dbraw/zinc/38/17/00/318381700.db2.gz PCKFCHOBOHCNNF-CYBMUJFWSA-N 0 3 344.415 2.424 10 5 EEBEHN O=[N+]([O-])c1c(N[C@H](CO)CN2CCCCC2)ccc2ncccc21 ZINC000570771711 319695052 /nfs/dbraw/zinc/69/50/52/319695052.db2.gz IDCSITLGYYJMQS-ZDUSSCGKSA-N 0 3 330.388 2.402 10 5 EEBEHN O=[N+]([O-])c1cccc(OCCN2CCNC[C@H]2c2cccnc2)c1 ZINC000262110555 463949762 /nfs/dbraw/zinc/94/97/62/463949762.db2.gz AUWLWAMGLKUNAY-KRWDZBQOSA-N 0 3 328.372 2.015 10 5 EEBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000180423011 464308370 /nfs/dbraw/zinc/30/83/70/464308370.db2.gz RFVHQEMHDQTJAH-LBPRGKRZSA-N 0 3 334.376 2.448 10 5 EEBEHN CC(C)NC(=O)c1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246194332 464557509 /nfs/dbraw/zinc/55/75/09/464557509.db2.gz SVIJCKMGUFMZAY-AWEZNQCLSA-N 0 3 332.404 2.017 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295067316 464694791 /nfs/dbraw/zinc/69/47/91/464694791.db2.gz ZQAORQRUTNMDOV-LLVKDONJSA-N 0 3 348.403 2.005 10 5 EEBEHN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000184612982 465008057 /nfs/dbraw/zinc/00/80/57/465008057.db2.gz VAYNEHHSKRFOKV-SNVBAGLBSA-N 0 3 335.360 2.430 10 5 EEBEHN CCN1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301686065 466009464 /nfs/dbraw/zinc/00/94/64/466009464.db2.gz LOCAPYRHRMKLCH-NSHDSACASA-N 0 3 334.376 2.212 10 5 EEBEHN CN(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccs1 ZINC000301844766 466044331 /nfs/dbraw/zinc/04/43/31/466044331.db2.gz SMSAXJIEFYIVTP-JTQLQIEISA-N 0 3 332.389 2.414 10 5 EEBEHN CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000347013961 466319949 /nfs/dbraw/zinc/31/99/49/466319949.db2.gz QBJLKKLETJILAE-HNNXBMFYSA-N 0 3 344.415 2.478 10 5 EEBEHN C[C@@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000347213254 466480601 /nfs/dbraw/zinc/48/06/01/466480601.db2.gz JSRLDOFZGJFNPL-QMMMGPOBSA-N 0 3 345.197 2.429 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415663553 466704838 /nfs/dbraw/zinc/70/48/38/466704838.db2.gz SIPPEWNEUSMSNP-GFCCVEGCSA-N 0 3 344.318 2.112 10 5 EEBEHN Cc1ccc(NCCCNC(=O)CN2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000578521645 468213170 /nfs/dbraw/zinc/21/31/70/468213170.db2.gz ZGOORWPOBCAMQQ-CQSZACIVSA-N 0 3 334.420 2.163 10 5 EEBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600470034 468567922 /nfs/dbraw/zinc/56/79/22/468567922.db2.gz DWQUQIIEGVBBSD-ZDUSSCGKSA-N 0 3 347.371 2.070 10 5 EEBEHN NCc1cccc2c1N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 ZINC000600721124 468634337 /nfs/dbraw/zinc/63/43/37/468634337.db2.gz AHDJMFOQYBDQAZ-UHFFFAOYSA-N 0 3 340.383 2.105 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000597696047 468641859 /nfs/dbraw/zinc/64/18/59/468641859.db2.gz VAEMIELGRDPAEG-WBVHZDCISA-N 0 3 347.415 2.147 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](CO)c1cccnc1 ZINC000595046821 468749425 /nfs/dbraw/zinc/74/94/25/468749425.db2.gz BIKDSGJSLNNOAI-OCCSQVGLSA-N 0 3 331.372 2.425 10 5 EEBEHN C[C@@H]1CCN(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601266323 468805268 /nfs/dbraw/zinc/80/52/68/468805268.db2.gz NJOOHBDDRLQPFD-CQSZACIVSA-N 0 3 331.416 2.475 10 5 EEBEHN C[C@@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587224544 469086059 /nfs/dbraw/zinc/08/60/59/469086059.db2.gz IMOMUZHQZXAYRS-GFCCVEGCSA-N 0 3 347.419 2.072 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752016530 577764629 /nfs/dbraw/zinc/76/46/29/577764629.db2.gz YVIUDOQIJGDCHI-ABDJAZHISA-N 0 3 347.415 2.225 10 5 EEBEHN COCCCN(C)CCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752466904 577771359 /nfs/dbraw/zinc/77/13/59/577771359.db2.gz IRFINBWYGNLNPL-BUHFOSPRSA-N 0 3 335.404 2.083 10 5 EEBEHN COc1ccc(COC(=O)C2CCCN(C3CC3)C2=O)cc1[N+](=O)[O-] ZINC000924061772 678312446 /nfs/dbraw/zinc/31/24/46/678312446.db2.gz CHLHAOGDYWOCTF-CYBMUJFWSA-N 0 3 348.355 2.048 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC000897825871 691794066 /nfs/dbraw/zinc/79/40/66/691794066.db2.gz QLXNTWYTPWHWKE-WFASDCNBSA-N 0 3 340.383 2.106 10 5 EEBEHN Cc1cccc([C@@H](O)CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000931468643 1207388765 /nfs/dbraw/zinc/38/87/65/1207388765.db2.gz AIENRWBIWWTWJO-ROUUACIJSA-N 0 3 330.384 2.434 10 5 EEBEHN CCC1(N2CCOCC2)CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000858822403 1294236634 /nfs/dbraw/zinc/23/66/34/1294236634.db2.gz CLXVRVMSOUFNHT-UHFFFAOYSA-N 0 3 334.420 2.258 10 5 EEBEHN C/C=C(\C)C(=O)N1CCC(O)(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001328155330 1334406651 /nfs/dbraw/zinc/40/66/51/1334406651.db2.gz XGDCZQUPALZOEW-LZWSPWQCSA-N 0 3 347.415 2.004 10 5 EEBEHN CC[C@H](NC[C@@H](O)CN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001658034425 1354352118 /nfs/dbraw/zinc/35/21/18/1354352118.db2.gz CICWSKMAOIHYOW-KGLIPLIRSA-N 0 3 349.353 2.491 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(CC)cn1 ZINC001668619777 1355974522 /nfs/dbraw/zinc/97/45/22/1355974522.db2.gz VFDGZZFTRJUPET-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN Cc1ncc(CC(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001479775136 1098951642 /nfs/dbraw/zinc/95/16/42/1098951642.db2.gz QAHKTCJNTWNEQY-UHFFFAOYSA-N 0 3 346.387 2.072 10 5 EEBEHN CCN(CCCNC(=O)c1n[nH]cc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479843363 1099133692 /nfs/dbraw/zinc/13/36/92/1099133692.db2.gz UXQFUTLEVUQYGN-UHFFFAOYSA-N 0 3 345.403 2.268 10 5 EEBEHN CCCN[C@H](COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440739 214056802 /nfs/dbraw/zinc/05/68/02/214056802.db2.gz ISPABLSBNZEKOK-SNVBAGLBSA-N 0 3 336.175 2.134 10 5 EEBEHN CN(c1ncnc(NC2CCCC2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040661125 213365763 /nfs/dbraw/zinc/36/57/63/213365763.db2.gz YGMCWNZXHRSDKF-UHFFFAOYSA-N 0 3 334.424 2.270 10 5 EEBEHN COc1ccc(Br)c(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113986 675763546 /nfs/dbraw/zinc/76/35/46/675763546.db2.gz KSXMHOQZOVSZAH-QMMMGPOBSA-N 0 3 332.150 2.209 10 5 EEBEHN CN1CCC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000119310557 159377109 /nfs/dbraw/zinc/37/71/09/159377109.db2.gz VFDRWSLZKRNIRW-QMTHXVAHSA-N 0 3 349.416 2.192 10 5 EEBEHN COCC[C@H]1CCCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368769025 166124074 /nfs/dbraw/zinc/12/40/74/166124074.db2.gz DTLDIZDZQZNVDL-CYBMUJFWSA-N 0 3 335.404 2.332 10 5 EEBEHN COc1cc(CNCC2(CF)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000449483469 274093972 /nfs/dbraw/zinc/09/39/72/274093972.db2.gz AVJMUIVGLAUQPQ-UHFFFAOYSA-N 0 3 342.367 2.468 10 5 EEBEHN C[C@H](CN1CCCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362508469 274484887 /nfs/dbraw/zinc/48/48/87/274484887.db2.gz HDBNOCOSDTXEFE-LLVKDONJSA-N 0 3 341.358 2.406 10 5 EEBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000286444796 274872685 /nfs/dbraw/zinc/87/26/85/274872685.db2.gz QJQFSWJGRGPOOU-STQMWFEESA-N 0 3 340.811 2.333 10 5 EEBEHN COc1cnccc1N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000360251308 278076687 /nfs/dbraw/zinc/07/66/87/278076687.db2.gz RREXIUFGUXQWLS-UHFFFAOYSA-N 0 3 332.335 2.464 10 5 EEBEHN CC(C)NC(=O)c1ccc(N2CCC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425281270 314371943 /nfs/dbraw/zinc/37/19/43/314371943.db2.gz IUGBMIAAPZOIGW-WMLDXEAASA-N 0 3 346.431 2.263 10 5 EEBEHN CN(C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125863445 463586999 /nfs/dbraw/zinc/58/69/99/463586999.db2.gz KSNWHZAWBNVJJP-AAEUAGOBSA-N 0 3 341.433 2.283 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342220927 465303614 /nfs/dbraw/zinc/30/36/14/465303614.db2.gz JGMWDLRGWYGKLV-RYUDHWBXSA-N 0 3 345.403 2.918 10 5 EEBEHN CCOc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113226846 462578493 /nfs/dbraw/zinc/57/84/93/462578493.db2.gz JGLPNFVSTAEXNR-JSGCOSHPSA-N 0 3 333.388 2.302 10 5 EEBEHN NC(=O)c1ccc(CN[C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000127841849 462587149 /nfs/dbraw/zinc/58/71/49/462587149.db2.gz GXGSKLJILAMJDC-GJZGRUSLSA-N 0 3 343.387 2.164 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047143227 462748585 /nfs/dbraw/zinc/74/85/85/462748585.db2.gz IADAVTXKGXVMBG-NSHDSACASA-N 0 3 331.376 2.075 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116749148 462771515 /nfs/dbraw/zinc/77/15/15/462771515.db2.gz WEDXQLTVAVJUSW-GFCCVEGCSA-N 0 3 341.795 2.180 10 5 EEBEHN Cc1c(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000262203673 463971351 /nfs/dbraw/zinc/97/13/51/463971351.db2.gz KSOSBRYDMRBPFI-QIIPPGSGSA-N 0 3 347.415 2.052 10 5 EEBEHN COC(=O)[C@@H](C)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176222334 464724526 /nfs/dbraw/zinc/72/45/26/464724526.db2.gz WBFBMWJLNYQCIK-AWEZNQCLSA-N 0 3 346.387 2.103 10 5 EEBEHN C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000183288597 464843566 /nfs/dbraw/zinc/84/35/66/464843566.db2.gz CIEYWWWWLTWMOA-NSHDSACASA-N 0 3 347.462 2.199 10 5 EEBEHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000266945246 464880684 /nfs/dbraw/zinc/88/06/84/464880684.db2.gz RELPHBHUSZRXDM-JLZZUVOBSA-N 0 3 348.378 2.374 10 5 EEBEHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1cccs1 ZINC000353320398 465794803 /nfs/dbraw/zinc/79/48/03/465794803.db2.gz WWANVNTVHUIVSN-QMTHXVAHSA-N 0 3 349.416 2.192 10 5 EEBEHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)N1CCC[C@@H](C)C1 ZINC000301687773 466010942 /nfs/dbraw/zinc/01/09/42/466010942.db2.gz MIJGNBUWRKIWRW-VXGBXAGGSA-N 0 3 348.403 2.458 10 5 EEBEHN COC(=O)CC1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000338323543 466026603 /nfs/dbraw/zinc/02/66/03/466026603.db2.gz YUSGXDXZDBXMIH-UHFFFAOYSA-N 0 3 349.387 2.307 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600227451 468501087 /nfs/dbraw/zinc/50/10/87/468501087.db2.gz CLVNCFIFJITTTM-CQSZACIVSA-N 0 3 332.404 2.435 10 5 EEBEHN CCCc1n[nH]c(C(=O)NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227448 468501193 /nfs/dbraw/zinc/50/11/93/468501193.db2.gz CKOSBACAKOWQEE-CYBMUJFWSA-N 0 3 349.435 2.407 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](c4nc[nH]n4)C3)co2)cc1 ZINC000425549813 467108667 /nfs/dbraw/zinc/10/86/67/467108667.db2.gz OGSFKNATALVBGW-LBPRGKRZSA-N 0 3 340.343 2.357 10 5 EEBEHN Cn1cc(CNCC2=CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449404632 467640049 /nfs/dbraw/zinc/64/00/49/467640049.db2.gz VXYNVNGBCURENA-UHFFFAOYSA-N 0 3 328.372 2.432 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442052 468257526 /nfs/dbraw/zinc/25/75/26/468257526.db2.gz GBRBUWZZNYUOCI-NOZJJQNGSA-N 0 3 343.305 2.390 10 5 EEBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590445672 468259931 /nfs/dbraw/zinc/25/99/31/468259931.db2.gz RIVIKFFHZRGSIR-YWPYICTPSA-N 0 3 335.429 2.238 10 5 EEBEHN COc1c(C)cccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594576819 468624795 /nfs/dbraw/zinc/62/47/95/468624795.db2.gz AVFCHVVYMZDYFN-HNNXBMFYSA-N 0 3 346.383 2.441 10 5 EEBEHN C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000597695097 468641130 /nfs/dbraw/zinc/64/11/30/468641130.db2.gz QALCMRACVWHJEB-XKQJLSEDSA-N 0 3 347.415 2.020 10 5 EEBEHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C)C1 ZINC000597946343 468721359 /nfs/dbraw/zinc/72/13/59/468721359.db2.gz OTRNJMPEIOKDSI-CYBMUJFWSA-N 0 3 325.796 2.343 10 5 EEBEHN CO[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCOC1 ZINC000594950151 468728870 /nfs/dbraw/zinc/72/88/70/468728870.db2.gz JKPAQXJYHFYYMB-HZMBPMFUSA-N 0 3 346.330 2.337 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000593030106 468845704 /nfs/dbraw/zinc/84/57/04/468845704.db2.gz KIXNVJCUVGGKJX-NUEKZKHPSA-N 0 3 346.383 2.429 10 5 EEBEHN COCCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C(C)(C)C1 ZINC000593100303 468872335 /nfs/dbraw/zinc/87/23/35/468872335.db2.gz HTFMATHLZBHSAQ-UHFFFAOYSA-N 0 3 337.420 2.146 10 5 EEBEHN CCS(=O)(=O)C[C@H](C)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561784394 468909559 /nfs/dbraw/zinc/90/95/59/468909559.db2.gz ZVOLAGYQKADIIP-NSHDSACASA-N 0 3 339.417 2.031 10 5 EEBEHN C[C@@H](NC(=O)Nc1cnn(CCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000610478422 468980311 /nfs/dbraw/zinc/98/03/11/468980311.db2.gz XVADPNZYBRJIIU-GFCCVEGCSA-N 0 3 346.391 2.236 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(C2CCOCC2)CC1 ZINC000593468827 468993821 /nfs/dbraw/zinc/99/38/21/468993821.db2.gz QSPIWAWMGQHFPH-UHFFFAOYSA-N 0 3 342.399 2.444 10 5 EEBEHN COc1cc(CNCCC[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1[O-] ZINC000593645251 469077665 /nfs/dbraw/zinc/07/76/65/469077665.db2.gz HESKEKQOPQEPCK-UHFFFAOYSA-N 0 3 325.409 2.377 10 5 EEBEHN COc1cc(CNCCC[N@@H+](C)CC(C)C)c([N+](=O)[O-])cc1[O-] ZINC000593645251 469077673 /nfs/dbraw/zinc/07/76/73/469077673.db2.gz HESKEKQOPQEPCK-UHFFFAOYSA-N 0 3 325.409 2.377 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN1CCC(C)(N2CCOCC2)CC1 ZINC000599615543 469310508 /nfs/dbraw/zinc/31/05/08/469310508.db2.gz ASXJKLWOBOECOC-UHFFFAOYSA-N 0 3 349.431 2.290 10 5 EEBEHN CN(C)CCn1cc(Nc2ncnc3cccc([N+](=O)[O-])c32)cn1 ZINC000612442101 469466523 /nfs/dbraw/zinc/46/65/23/469466523.db2.gz DXFHVPQZTBIJTP-UHFFFAOYSA-N 0 3 327.348 2.040 10 5 EEBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC12CCOCC2 ZINC000618316856 469960231 /nfs/dbraw/zinc/96/02/31/469960231.db2.gz ORJICRIICIEYKL-UHFFFAOYSA-N 0 3 347.371 2.148 10 5 EEBEHN COc1ccc(C(C)C)cc1CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480862746 1176052987 /nfs/dbraw/zinc/05/29/87/1176052987.db2.gz BJZKEBHFFSLGQB-HZPDHXFCSA-N 0 3 349.431 2.032 10 5 EEBEHN COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801555524 1235830647 /nfs/dbraw/zinc/83/06/47/1235830647.db2.gz NJDULTBDEIBBRH-UHFFFAOYSA-N 0 3 346.362 2.460 10 5 EEBEHN Cc1nc(CC2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001198000574 1284921532 /nfs/dbraw/zinc/92/15/32/1284921532.db2.gz HPRXGDSOEKQGHQ-MRXNPFEDSA-N 0 3 346.387 2.274 10 5 EEBEHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000854514461 1292825374 /nfs/dbraw/zinc/82/53/74/1292825374.db2.gz CTNGNWNYOMQHPA-IUODEOHRSA-N 0 3 341.371 2.074 10 5 EEBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000859955308 1294723976 /nfs/dbraw/zinc/72/39/76/1294723976.db2.gz UGHSHEUIFWGOCI-NCOADZHNSA-N 0 3 348.399 2.292 10 5 EEBEHN CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001263620040 1322495456 /nfs/dbraw/zinc/49/54/56/1322495456.db2.gz JYEZUMZVJRJWSI-CQSZACIVSA-N 0 3 349.387 2.047 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccccc1 ZINC001317654673 1332351690 /nfs/dbraw/zinc/35/16/90/1332351690.db2.gz OGTUJGKGBOHREJ-UHFFFAOYSA-N 0 3 343.383 2.222 10 5 EEBEHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC001655474765 1354174628 /nfs/dbraw/zinc/17/46/28/1354174628.db2.gz MKJQKVDJLPXXCA-GUYCJALGSA-N 0 3 334.372 2.379 10 5 EEBEHN CN(CCCN(C)C(=O)CC(C)(C)O)Cc1ccc([N+](=O)[O-])cc1 ZINC001673429683 1356689980 /nfs/dbraw/zinc/68/99/80/1356689980.db2.gz NZSRHDWQMWYTTL-UHFFFAOYSA-N 0 3 337.420 2.036 10 5 EEBEHN CC(C)=CC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001699880797 1405547956 /nfs/dbraw/zinc/54/79/56/1405547956.db2.gz HHIIMVBBSDRGRR-UHFFFAOYSA-N 0 3 347.415 2.316 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173171859 230888671 /nfs/dbraw/zinc/88/86/71/230888671.db2.gz XYIJBRDMWMOOIP-KRWDZBQOSA-N 0 3 341.411 2.426 10 5 EEBEHN C[C@H](Cc1ccc(O)cc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552657 292219454 /nfs/dbraw/zinc/21/94/54/292219454.db2.gz HJRMWNQMQYFSQD-CYBMUJFWSA-N 0 3 331.372 2.025 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2CCCC[C@H]2C1 ZINC000246236753 160269591 /nfs/dbraw/zinc/26/95/91/160269591.db2.gz UASQARLIBRQNEL-INIZCTEOSA-N 0 3 346.431 2.402 10 5 EEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000247081915 160309369 /nfs/dbraw/zinc/30/93/69/160309369.db2.gz ZNMTUQTYGUWATN-KGLIPLIRSA-N 0 3 333.388 2.302 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000342222503 161048798 /nfs/dbraw/zinc/04/87/98/161048798.db2.gz MIQTVMKAKKCTQL-RYUDHWBXSA-N 0 3 336.392 2.451 10 5 EEBEHN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCN(C2CC2)C1 ZINC000345637036 161318356 /nfs/dbraw/zinc/31/83/56/161318356.db2.gz UTAOFELIPLDAEN-ZDUSSCGKSA-N 0 3 340.383 2.452 10 5 EEBEHN CCN1C(=O)N=NC1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000366145469 165662575 /nfs/dbraw/zinc/66/25/75/165662575.db2.gz AQJGNAQNDTVIOV-UHFFFAOYSA-N 0 3 345.403 2.334 10 5 EEBEHN CCN1CC[C@H]2OCCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293778209 293292611 /nfs/dbraw/zinc/29/26/11/293292611.db2.gz ZCBBFCNGJWCOIG-AAXUHFPESA-N 0 3 331.416 2.403 10 5 EEBEHN CCO[C@@H]1C[C@@](CO)(NCc2ccc([N+](=O)[O-])c(OC)c2)C1(C)C ZINC000444803976 315326192 /nfs/dbraw/zinc/32/61/92/315326192.db2.gz ONXRUXHMDVQMSM-WBVHZDCISA-N 0 3 338.404 2.259 10 5 EEBEHN CN1CCC(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000580928427 324152052 /nfs/dbraw/zinc/15/20/52/324152052.db2.gz HLTXMGJGBRBMLP-UHFFFAOYSA-N 0 3 330.388 2.077 10 5 EEBEHN CC(C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000077322985 462969178 /nfs/dbraw/zinc/96/91/78/462969178.db2.gz SBHBHNYVXURURB-UHFFFAOYSA-N 0 3 335.404 2.447 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCCN2CCC(n3cncn3)CC2)cc1 ZINC000156649951 463053543 /nfs/dbraw/zinc/05/35/43/463053543.db2.gz RNLILPSSCWDHQZ-UHFFFAOYSA-N 0 3 331.376 2.292 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121080391 463076462 /nfs/dbraw/zinc/07/64/62/463076462.db2.gz CQQAIKJKXJTORA-JTQLQIEISA-N 0 3 342.193 2.133 10 5 EEBEHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(C2CC2)CC1 ZINC000172347189 464059926 /nfs/dbraw/zinc/05/99/26/464059926.db2.gz XGXABIYXZZFDKD-CYBMUJFWSA-N 0 3 332.404 2.092 10 5 EEBEHN CN1CC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1ccccc1 ZINC000242047896 464456604 /nfs/dbraw/zinc/45/66/04/464456604.db2.gz VQYMHDXOOQUUNH-CXAGYDPISA-N 0 3 338.371 2.495 10 5 EEBEHN CN1CCN([C@H]2CCCCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174885495 464463362 /nfs/dbraw/zinc/46/33/62/464463362.db2.gz FSIYHMFTYJQXEO-SFHVURJKSA-N 0 3 332.448 2.197 10 5 EEBEHN COc1cc(CN[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272242456 464533091 /nfs/dbraw/zinc/53/30/91/464533091.db2.gz AUJDHYBSFDQDMV-ZJUUUORDSA-N 0 3 348.346 2.354 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000192853599 465009489 /nfs/dbraw/zinc/00/94/89/465009489.db2.gz UVLYDOODFCNCTB-MRXNPFEDSA-N 0 3 328.372 2.331 10 5 EEBEHN CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H]1CCN(C)C1 ZINC000597092095 468440401 /nfs/dbraw/zinc/44/04/01/468440401.db2.gz JSOJRPLSBPPAQI-SNVBAGLBSA-N 0 3 341.799 2.388 10 5 EEBEHN CN(CCNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccccc1 ZINC000302011691 466077665 /nfs/dbraw/zinc/07/76/65/466077665.db2.gz WNHGGMGDLXZDBW-UHFFFAOYSA-N 0 3 326.360 2.181 10 5 EEBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 ZINC000338478357 466158530 /nfs/dbraw/zinc/15/85/30/466158530.db2.gz WCHUOZJODLFAFW-BBRMVZONSA-N 0 3 338.379 2.391 10 5 EEBEHN COCCN1CCC[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488116328 468072238 /nfs/dbraw/zinc/07/22/38/468072238.db2.gz OBDKVWCTSROWOW-ZDUSSCGKSA-N 0 3 330.388 2.088 10 5 EEBEHN CN(C)[C@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCSC1 ZINC000488118644 468072481 /nfs/dbraw/zinc/07/24/81/468072481.db2.gz BFQOUSHNRIRUET-INIZCTEOSA-N 0 3 332.429 2.414 10 5 EEBEHN Cc1cc(NCC(C)(C)[C@@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591988919 468591092 /nfs/dbraw/zinc/59/10/92/468591092.db2.gz ZLZOZWUSDYVOLJ-GOSISDBHSA-N 0 3 345.399 2.463 10 5 EEBEHN COc1ccc(CNC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594512654 468612361 /nfs/dbraw/zinc/61/23/61/468612361.db2.gz VJDRZDMXVRNOJZ-MELADBBJSA-N 0 3 337.420 2.191 10 5 EEBEHN CO[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000594950155 468728834 /nfs/dbraw/zinc/72/88/34/468728834.db2.gz JKPAQXJYHFYYMB-YGRLFVJLSA-N 0 3 346.330 2.337 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)C2CCCCC2)c1 ZINC000593022962 468843554 /nfs/dbraw/zinc/84/35/54/468843554.db2.gz MFCNAXFDKDGOTN-HNNXBMFYSA-N 0 3 336.388 2.412 10 5 EEBEHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccccc21 ZINC000593092019 468867775 /nfs/dbraw/zinc/86/77/75/468867775.db2.gz RFJUHOLEEIXDBP-CQSZACIVSA-N 0 3 327.384 2.418 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593114614 468875868 /nfs/dbraw/zinc/87/58/68/468875868.db2.gz DQDKOAFXYNJUOX-OCCSQVGLSA-N 0 3 328.315 2.066 10 5 EEBEHN CN1CCC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611513273 469269583 /nfs/dbraw/zinc/26/95/83/469269583.db2.gz COZVHCSQCHHOQZ-ZDUSSCGKSA-N 0 3 340.811 2.184 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2cccc(OCCN3CCC(O)CC3)c2)cn1 ZINC000596638246 469318272 /nfs/dbraw/zinc/31/82/72/469318272.db2.gz TWZCHEOHUOUNBT-UHFFFAOYSA-N 0 3 343.383 2.492 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(NC(C)(C)CCN2CCN(C)CC2)n1 ZINC000613704975 469770060 /nfs/dbraw/zinc/77/00/60/469770060.db2.gz APWAMWAYXOTAJU-UHFFFAOYSA-N 0 3 335.452 2.435 10 5 EEBEHN C[C@H]1CC[C@](CO)(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187909883 533771058 /nfs/dbraw/zinc/77/10/58/533771058.db2.gz QOFGSXMMVXXDEG-SJCJKPOMSA-N 0 3 336.388 2.444 10 5 EEBEHN CC(C)(O)C[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000872207150 1198087045 /nfs/dbraw/zinc/08/70/45/1198087045.db2.gz PBUZXBSAHIEWHW-GFCCVEGCSA-N 0 3 336.310 2.225 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@@H]2CCCS2)cc1 ZINC000872223099 1198096811 /nfs/dbraw/zinc/09/68/11/1198096811.db2.gz AULJDTZDGHHLOW-ZDUSSCGKSA-N 0 3 344.458 2.244 10 5 EEBEHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102434 1201096900 /nfs/dbraw/zinc/09/69/00/1201096900.db2.gz FCLUOOXIWLQFES-WOSRLPQWSA-N 0 3 348.399 2.194 10 5 EEBEHN CN1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCC1(C)C ZINC000866115175 1201437406 /nfs/dbraw/zinc/43/74/06/1201437406.db2.gz WXHIGSYWPFNZMU-UHFFFAOYSA-N 0 3 331.376 2.164 10 5 EEBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924527864 1205991553 /nfs/dbraw/zinc/99/15/53/1205991553.db2.gz CJUAWNWVHDXVQK-TZMCWYRMSA-N 0 3 346.387 2.062 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C ZINC000928448917 1206385689 /nfs/dbraw/zinc/38/56/89/1206385689.db2.gz DRYRDJVPGDBPRB-CZUORRHYSA-N 0 3 346.431 2.408 10 5 EEBEHN C[C@H](NCCN1C[C@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850560986 1277267023 /nfs/dbraw/zinc/26/70/23/1277267023.db2.gz HEDAMXAUCUFERW-GXTWGEPZSA-N 0 3 347.419 2.118 10 5 EEBEHN CC(C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])CS(C)(=O)=O ZINC000926954942 1296967785 /nfs/dbraw/zinc/96/77/85/1296967785.db2.gz ISPACDCQCGWVED-ZDUSSCGKSA-N 0 3 326.418 2.243 10 5 EEBEHN CCc1cccnc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001317603129 1332320933 /nfs/dbraw/zinc/32/09/33/1332320933.db2.gz GNIDAWAHOPTVOV-UHFFFAOYSA-N 0 3 342.399 2.414 10 5 EEBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)c1ccn[nH]1 ZINC001318616901 1332568764 /nfs/dbraw/zinc/56/87/64/1332568764.db2.gz KTEVXJVVZMKOKC-UHFFFAOYSA-N 0 3 343.387 2.150 10 5 EEBEHN CC(F)(F)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001326772947 1334157563 /nfs/dbraw/zinc/15/75/63/1334157563.db2.gz LMSYISGVYCATEE-UHFFFAOYSA-N 0 3 327.331 2.379 10 5 EEBEHN CC(COC(=O)C1(Cc2cccc(F)c2)CCOCC1)[N+](=O)[O-] ZINC000816090865 783664091 /nfs/dbraw/zinc/66/40/91/783664091.db2.gz APZAEDOAXHTKSC-LBPRGKRZSA-N 0 3 325.336 2.373 10 5 EEBEHN COC(=O)c1cc(NC(=O)[C@@H]2CC[C@@H]3CCCCN32)cc([N+](=O)[O-])c1 ZINC001136960409 788353766 /nfs/dbraw/zinc/35/37/66/788353766.db2.gz ULNZJXTWVNDFQK-ZFWWWQNUSA-N 0 3 347.371 2.337 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H]2CN(CC)CC2(C)C)cc1[N+](=O)[O-] ZINC001472055726 1110540584 /nfs/dbraw/zinc/54/05/84/1110540584.db2.gz CMEBTXKAWZNXHF-OAHLLOKOSA-N 0 3 335.404 2.454 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000191373408 239075834 /nfs/dbraw/zinc/07/58/34/239075834.db2.gz KZPNGAZEZIGZIW-CYBMUJFWSA-N 0 3 336.392 2.006 10 5 EEBEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000116928806 221012822 /nfs/dbraw/zinc/01/28/22/221012822.db2.gz ACXHUYCKLOMWAI-NSHDSACASA-N 0 3 342.783 2.043 10 5 EEBEHN CCN(CC)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270726094 256165446 /nfs/dbraw/zinc/16/54/46/256165446.db2.gz BBXACLYXGUUYEE-AWEZNQCLSA-N 0 3 345.403 2.141 10 5 EEBEHN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273378264 256291364 /nfs/dbraw/zinc/29/13/64/256291364.db2.gz BRKZFGOATNHTAC-ZBFHGGJFSA-N 0 3 349.431 2.266 10 5 EEBEHN Cc1cc(C(=O)NCc2ccc3c(c2)CNC3)c(N)c([N+](=O)[O-])c1 ZINC000188657057 160126819 /nfs/dbraw/zinc/12/68/19/160126819.db2.gz ZGBALMCJNYZVPH-UHFFFAOYSA-N 0 3 326.356 2.019 10 5 EEBEHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246508895 160282116 /nfs/dbraw/zinc/28/21/16/160282116.db2.gz QJMBBUIDVIOATM-CRAIPNDOSA-N 0 3 349.431 2.016 10 5 EEBEHN CCOc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000345758591 161329775 /nfs/dbraw/zinc/32/97/75/161329775.db2.gz HYHLUBOOKANWQR-UHFFFAOYSA-N 0 3 333.388 2.350 10 5 EEBEHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@H](O)C2)cn1 ZINC000359089972 164055932 /nfs/dbraw/zinc/05/59/32/164055932.db2.gz COTLBOZJESUWGE-INIZCTEOSA-N 0 3 328.372 2.169 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451589546 273985091 /nfs/dbraw/zinc/98/50/91/273985091.db2.gz VSZDPDPOBONGJQ-XQQFMLRXSA-N 0 3 349.387 2.243 10 5 EEBEHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C ZINC000357850566 281361141 /nfs/dbraw/zinc/36/11/41/281361141.db2.gz AKWAXQYHZDPSHY-MLGOLLRUSA-N 0 3 345.403 2.058 10 5 EEBEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000392969889 312441020 /nfs/dbraw/zinc/44/10/20/312441020.db2.gz UMBQCCBXJFEILU-KWQFWETISA-N 0 3 342.193 2.114 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@H]1c1cccnc1 ZINC000261866728 463882664 /nfs/dbraw/zinc/88/26/64/463882664.db2.gz WWFYJMPOCSCKFV-INIZCTEOSA-N 0 3 328.372 2.145 10 5 EEBEHN C[C@@H]1COCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277324016 463909974 /nfs/dbraw/zinc/90/99/74/463909974.db2.gz DOBSQVCSERZCQK-BXKDBHETSA-N 0 3 327.768 2.201 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCC[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000283793576 464011763 /nfs/dbraw/zinc/01/17/63/464011763.db2.gz SKSHUNNVBSSXGT-GXTWGEPZSA-N 0 3 348.403 2.005 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000282040782 464677953 /nfs/dbraw/zinc/67/79/53/464677953.db2.gz LMLFBKDAZLOJPJ-AWEZNQCLSA-N 0 3 344.419 2.204 10 5 EEBEHN COC(=O)c1cc(C)nc(N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000286110196 464806235 /nfs/dbraw/zinc/80/62/35/464806235.db2.gz LNSGPSQOJRGYRK-LBPRGKRZSA-N 0 3 336.392 2.371 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268219165 464978891 /nfs/dbraw/zinc/97/88/91/464978891.db2.gz WKRINZLQCRJFRF-ZDUSSCGKSA-N 0 3 325.796 2.343 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000362500563 465786140 /nfs/dbraw/zinc/78/61/40/465786140.db2.gz VEYBMKQJTJXUKK-OAHLLOKOSA-N 0 3 330.388 2.102 10 5 EEBEHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000375693825 466864081 /nfs/dbraw/zinc/86/40/81/466864081.db2.gz UIFDQKTWWCUDBR-OAHLLOKOSA-N 0 3 340.383 2.242 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)CN1CCCC1 ZINC000452096582 467321032 /nfs/dbraw/zinc/32/10/32/467321032.db2.gz OMNBMGTZRYMRKP-UHFFFAOYSA-N 0 3 334.420 2.306 10 5 EEBEHN CC(C)c1ccc(CN2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592525259 468721224 /nfs/dbraw/zinc/72/12/24/468721224.db2.gz NRHHFABORHIZQS-CQSZACIVSA-N 0 3 348.447 2.270 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCN(C2CC2)C1 ZINC000601104100 468742463 /nfs/dbraw/zinc/74/24/63/468742463.db2.gz PHBKBTHAWZSZIC-MRVPVSSYSA-N 0 3 333.314 2.243 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCN(CC2CC2)C1 ZINC000601116296 468748187 /nfs/dbraw/zinc/74/81/87/468748187.db2.gz PYYZWUDWDPVCQN-SECBINFHSA-N 0 3 333.314 2.243 10 5 EEBEHN C[C@H]1[C@H](N2CCCC2)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164492 468767251 /nfs/dbraw/zinc/76/72/51/468767251.db2.gz XEOKTLNYBOSROJ-VHSXEESVSA-N 0 3 347.341 2.410 10 5 EEBEHN C[C@H](C(=O)N1CCOC2(CCN(C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000592898603 468818801 /nfs/dbraw/zinc/81/88/01/468818801.db2.gz JFDQQSJFTNWJQH-AWEZNQCLSA-N 0 3 347.415 2.022 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(CNC4)C3)o2)cc1 ZINC000596108820 469159635 /nfs/dbraw/zinc/15/96/35/469159635.db2.gz ZDEUBZXDOQUYNS-UHFFFAOYSA-N 0 3 329.356 2.029 10 5 EEBEHN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC001266272945 1176074936 /nfs/dbraw/zinc/07/49/36/1176074936.db2.gz GVIDNNLXEBMURM-CHWSQXEVSA-N 0 3 346.214 2.207 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000928433561 1206382827 /nfs/dbraw/zinc/38/28/27/1206382827.db2.gz MPNMUTNPGSRDML-LDYMZIIASA-N 0 3 331.294 2.436 10 5 EEBEHN C[C@H](NCC[S@](=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850498254 1277250299 /nfs/dbraw/zinc/25/02/99/1277250299.db2.gz YYDPSYNYUUIOTQ-ZCAPAMDOSA-N 0 3 339.339 2.139 10 5 EEBEHN Cc1nc(C)c(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001273927899 1289914286 /nfs/dbraw/zinc/91/42/86/1289914286.db2.gz JJFHBFJTVNKENF-ONEGZZNKSA-N 0 3 344.371 2.275 10 5 EEBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000859955310 1294724871 /nfs/dbraw/zinc/72/48/71/1294724871.db2.gz UGHSHEUIFWGOCI-YVSFHVDLSA-N 0 3 348.399 2.292 10 5 EEBEHN Cc1conc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001265056114 1322895110 /nfs/dbraw/zinc/89/51/10/1322895110.db2.gz VOHORZCAICOUQH-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN Cc1nccn1-c1ccncc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001633801834 1352617489 /nfs/dbraw/zinc/61/74/89/1352617489.db2.gz ANQXQGHWOWXUFO-UHFFFAOYSA-N 0 3 338.327 2.440 10 5 EEBEHN Cc1nccn1-c1cc[nH+]cc1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001633801834 1352617492 /nfs/dbraw/zinc/61/74/92/1352617492.db2.gz ANQXQGHWOWXUFO-UHFFFAOYSA-N 0 3 338.327 2.440 10 5 EEBEHN CCN1C[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646587397 1352876209 /nfs/dbraw/zinc/87/62/09/1352876209.db2.gz TUXOYOXNEHBTQD-OAHLLOKOSA-N 0 3 335.404 2.372 10 5 EEBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC001652316645 1354087002 /nfs/dbraw/zinc/08/70/02/1354087002.db2.gz BQHGQXBNGJDLID-WMLDXEAASA-N 0 3 328.372 2.298 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccnn1C ZINC001655381052 1354171664 /nfs/dbraw/zinc/17/16/64/1354171664.db2.gz IZHVSKYJWVQCQK-LLVKDONJSA-N 0 3 347.375 2.016 10 5 EEBEHN COCC(C)(C)C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001656209807 1354214852 /nfs/dbraw/zinc/21/48/52/1354214852.db2.gz BEJZZSXWQVGMHM-CTYIDZIISA-N 0 3 349.431 2.252 10 5 EEBEHN COCCC(=O)NCCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001666350831 1355515911 /nfs/dbraw/zinc/51/59/11/1355515911.db2.gz KGCHTRJYJKZLOV-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN O=C1C[C@@H](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1 ZINC000922780718 801867699 /nfs/dbraw/zinc/86/76/99/801867699.db2.gz DQMVXOJMIJWIQH-LLVKDONJSA-N 0 3 346.412 2.334 10 5 EEBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(F)ccc1Cl ZINC001566453599 1125613472 /nfs/dbraw/zinc/61/34/72/1125613472.db2.gz PUDRRAHJQKYNME-TZMCWYRMSA-N 0 3 343.786 2.082 10 5 EEBEHN C[C@@H]1CCCN(CCNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001441355292 1094872687 /nfs/dbraw/zinc/87/26/87/1094872687.db2.gz SQPHOASWYHCAMM-SNVBAGLBSA-N 0 3 340.811 2.292 10 5 EEBEHN Cc1cc(NC(=O)NC[C@H]2CCN2C2CCOCC2)cc([N+](=O)[O-])c1 ZINC001517922030 1119047204 /nfs/dbraw/zinc/04/72/04/1119047204.db2.gz IYFOMXKPJCTCPV-OAHLLOKOSA-N 0 3 348.403 2.278 10 5 EEBEHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000189901496 533406759 /nfs/dbraw/zinc/40/67/59/533406759.db2.gz UJMITLKOJRUMDM-CYBMUJFWSA-N 0 3 326.360 2.328 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CN3CCC2CC3)c1 ZINC000344762763 161244045 /nfs/dbraw/zinc/24/40/45/161244045.db2.gz AOXKXDCBDSHMBL-INIZCTEOSA-N 0 3 347.415 2.225 10 5 EEBEHN CC(C)c1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000189823129 276049258 /nfs/dbraw/zinc/04/92/58/276049258.db2.gz VQYUBSSYCOXCAG-CQSZACIVSA-N 0 3 335.404 2.121 10 5 EEBEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000116789757 276798487 /nfs/dbraw/zinc/79/84/87/276798487.db2.gz GOAYQAIRDBPTFS-CQSZACIVSA-N 0 3 349.431 2.295 10 5 EEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283500055 292949530 /nfs/dbraw/zinc/94/95/30/292949530.db2.gz OVMODBBKAQVVDR-JTQLQIEISA-N 0 3 326.372 2.022 10 5 EEBEHN CC1CCC(N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CC1 ZINC000301965583 294915317 /nfs/dbraw/zinc/91/53/17/294915317.db2.gz KDKRCFQZHDGFSY-UHFFFAOYSA-N 0 3 344.419 2.338 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359393764 312402068 /nfs/dbraw/zinc/40/20/68/312402068.db2.gz SODKRTDFSWPFHY-NSHDSACASA-N 0 3 343.330 2.362 10 5 EEBEHN COc1cccc(C(=O)N2CCc3ccccc3[C@@H]2CN)c1[N+](=O)[O-] ZINC000566289382 319269567 /nfs/dbraw/zinc/26/95/67/319269567.db2.gz SUPPWLFVQSGNAU-HNNXBMFYSA-N 0 3 341.367 2.302 10 5 EEBEHN CNc1nccc(C(=O)NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230282 449255992 /nfs/dbraw/zinc/25/59/92/449255992.db2.gz QAYWDCUPIHCPDV-CYBMUJFWSA-N 0 3 347.419 2.168 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120857966 463047181 /nfs/dbraw/zinc/04/71/81/463047181.db2.gz SZMOSAAJJJBKID-INIZCTEOSA-N 0 3 334.420 2.263 10 5 EEBEHN COC(=O)C1=NOC2(C1)CCN([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000185095728 463750779 /nfs/dbraw/zinc/75/07/79/463750779.db2.gz DRSBRCAGTNJAHH-LBPRGKRZSA-N 0 3 347.371 2.440 10 5 EEBEHN Cc1cc(OCC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000281654640 464537034 /nfs/dbraw/zinc/53/70/34/464537034.db2.gz NCIATWIIBNMKNH-KGLIPLIRSA-N 0 3 335.404 2.223 10 5 EEBEHN Cn1ccnc1[C@@H](NC[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000272518824 464642715 /nfs/dbraw/zinc/64/27/15/464642715.db2.gz KSLCREBYPZMVFP-HOTGVXAUSA-N 0 3 329.404 2.102 10 5 EEBEHN CCOc1ccc(NC(=O)CN[C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183200605 464821046 /nfs/dbraw/zinc/82/10/46/464821046.db2.gz FHDNHSHAYGCBCT-XHDPSFHLSA-N 0 3 337.376 2.089 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000341056371 466547198 /nfs/dbraw/zinc/54/71/98/466547198.db2.gz JDDKMVNQJVICPI-KBPBESRZSA-N 0 3 335.404 2.353 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000589503238 468158605 /nfs/dbraw/zinc/15/86/05/468158605.db2.gz LDARWBYHDIAMNB-ZIAGYGMSSA-N 0 3 334.372 2.240 10 5 EEBEHN CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C)C1 ZINC000597946350 468721129 /nfs/dbraw/zinc/72/11/29/468721129.db2.gz OWQAJGYIWIIDFP-LBPRGKRZSA-N 0 3 344.371 2.015 10 5 EEBEHN CS[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000601145615 468760332 /nfs/dbraw/zinc/76/03/32/468760332.db2.gz PGEDHVJAWVQKHD-STQMWFEESA-N 0 3 326.397 2.145 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@@]3(O)CCOC3)o2)cc1 ZINC000593670560 469087228 /nfs/dbraw/zinc/08/72/28/469087228.db2.gz IBNUFCSVRFKCAJ-QGZVFWFLSA-N 0 3 332.356 2.486 10 5 EEBEHN CN1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609731888 469957992 /nfs/dbraw/zinc/95/79/92/469957992.db2.gz MPOQHLOQKFZOFR-GFCCVEGCSA-N 0 3 341.795 2.228 10 5 EEBEHN O=C(c1cc2ccccc2c2cccnc12)N1CCOC2(CNC2)C1 ZINC000663489788 471399066 /nfs/dbraw/zinc/39/90/66/471399066.db2.gz XSPJOKJBWVMIFD-UHFFFAOYSA-N 0 3 333.391 2.202 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)CN2CCCCC2)c1 ZINC000747208984 577940880 /nfs/dbraw/zinc/94/08/80/577940880.db2.gz BUNWIBRFMFLOEX-LLVKDONJSA-N 0 3 327.356 2.001 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000895190894 684263766 /nfs/dbraw/zinc/26/37/66/684263766.db2.gz DMJAQPAXHGDPRA-DTWKUNHWSA-N 0 3 333.314 2.020 10 5 EEBEHN Cc1cc(CCC(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001691471548 1178905090 /nfs/dbraw/zinc/90/50/90/1178905090.db2.gz XFTDGFSZDDXVGA-UHFFFAOYSA-N 0 3 346.387 2.072 10 5 EEBEHN CN(CCCN(C)C(=O)c1ccon1)Cc1cccc([N+](=O)[O-])c1 ZINC001484735285 1191499145 /nfs/dbraw/zinc/49/91/45/1191499145.db2.gz VYEDFEIMNQAFSA-UHFFFAOYSA-N 0 3 332.360 2.177 10 5 EEBEHN C[C@H](N[C@@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076142 1198041954 /nfs/dbraw/zinc/04/19/54/1198041954.db2.gz YDNMOXLWTPEZFL-QWHCGFSZSA-N 0 3 325.384 2.231 10 5 EEBEHN COc1ccc(SCCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813110013 1201120819 /nfs/dbraw/zinc/12/08/19/1201120819.db2.gz YSMYECSGUIRZGI-JTQLQIEISA-N 0 3 329.374 2.394 10 5 EEBEHN CC[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])N(C)C ZINC000881863944 1201778234 /nfs/dbraw/zinc/77/82/34/1201778234.db2.gz JIKOCSLWMWNHQC-NSHDSACASA-N 0 3 344.209 2.314 10 5 EEBEHN CN1C(=O)c2ccccc2[C@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863581901 1296344789 /nfs/dbraw/zinc/34/47/89/1296344789.db2.gz YBVDABXJJLFCBK-IAGOWNOFSA-N 0 3 341.367 2.045 10 5 EEBEHN CCCc1[nH]nc(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001123943155 1310769848 /nfs/dbraw/zinc/76/98/48/1310769848.db2.gz LXQWWQCBYKVTHZ-LBPRGKRZSA-N 0 3 349.435 2.359 10 5 EEBEHN CCn1nccc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001316820132 1331912440 /nfs/dbraw/zinc/91/24/40/1331912440.db2.gz SGVXINGGUDVMFO-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN CCOCCOC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644337779 1352761194 /nfs/dbraw/zinc/76/11/94/1352761194.db2.gz BWHSZHVFLXTZAB-KRWDZBQOSA-N 0 3 338.404 2.146 10 5 EEBEHN CN1CCCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001648347396 1353425806 /nfs/dbraw/zinc/42/58/06/1353425806.db2.gz QWXPRLWYKVGFKA-AWEZNQCLSA-N 0 3 343.387 2.199 10 5 EEBEHN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1Cl ZINC001663661761 1355013256 /nfs/dbraw/zinc/01/32/56/1355013256.db2.gz YTSNUHACUZEQIG-UKRRQHHQSA-N 0 3 339.823 2.333 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)n1 ZINC001450711363 1095109298 /nfs/dbraw/zinc/10/92/98/1095109298.db2.gz WKFIOHJWOFMUJY-MRXNPFEDSA-N 0 3 346.362 2.470 10 5 EEBEHN CC(C)c1ccc2c(c1)CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001460971111 1110330430 /nfs/dbraw/zinc/33/04/30/1110330430.db2.gz GUXMUTLWEVNYDG-GOSISDBHSA-N 0 3 344.415 2.334 10 5 EEBEHN COc1ccc(NC(=O)CN[C@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001473866283 1110583023 /nfs/dbraw/zinc/58/30/23/1110583023.db2.gz BGWXDTYZRGZJLC-HNNXBMFYSA-N 0 3 349.387 2.233 10 5 EEBEHN CCc1nc[nH]c1C(=O)N(CC)CCNCc1cccc([N+](=O)[O-])c1 ZINC001568795317 1124808490 /nfs/dbraw/zinc/80/84/90/1124808490.db2.gz RINHKQVFTQAAPV-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN C[C@@H]1CN(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066562258 215053878 /nfs/dbraw/zinc/05/38/78/215053878.db2.gz JOMXMGCIBHFIAL-OAHLLOKOSA-N 0 3 333.432 2.322 10 5 EEBEHN CCCC[NH+]1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068902521 215344961 /nfs/dbraw/zinc/34/49/61/215344961.db2.gz PWCAQGPWFKYBNT-UHFFFAOYSA-N 0 3 347.462 2.199 10 5 EEBEHN Cc1cc(Br)c(NC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000097107782 218957349 /nfs/dbraw/zinc/95/73/49/218957349.db2.gz GHUDOIFELXSNCK-UHFFFAOYSA-N 0 3 345.197 2.349 10 5 EEBEHN COC(=O)c1cnc(NC[C@H]2CCCN2CC(C)C)c([N+](=O)[O-])c1 ZINC000189366120 160140793 /nfs/dbraw/zinc/14/07/93/160140793.db2.gz VYDCTADJVHICDN-CYBMUJFWSA-N 0 3 336.392 2.309 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000245909114 160256718 /nfs/dbraw/zinc/25/67/18/160256718.db2.gz VFDRWSLZKRNIRW-HZMBPMFUSA-N 0 3 349.416 2.192 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246814636 160295986 /nfs/dbraw/zinc/29/59/86/160295986.db2.gz DIRZJLILMSZBLS-TZMCWYRMSA-N 0 3 335.404 2.452 10 5 EEBEHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432368 161065089 /nfs/dbraw/zinc/06/50/89/161065089.db2.gz FQVQNMYCRIBNAA-BMIGLBTASA-N 0 3 341.358 2.214 10 5 EEBEHN CC[C@H](C)N[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000343250071 161116806 /nfs/dbraw/zinc/11/68/06/161116806.db2.gz LWFWMRNTLIUONA-GXFFZTMASA-N 0 3 347.375 2.223 10 5 EEBEHN Cc1cc(N2CCC[C@@H](NCc3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000277739179 269177321 /nfs/dbraw/zinc/17/73/21/269177321.db2.gz PNFQLJRCVOINTF-OAHLLOKOSA-N 0 3 329.404 2.395 10 5 EEBEHN COC(=O)c1cc(C)nc(N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376260457 277150746 /nfs/dbraw/zinc/15/07/46/277150746.db2.gz OFSWXZGGFQOPCL-OLZOCXBDSA-N 0 3 348.403 2.148 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000590659191 468297654 /nfs/dbraw/zinc/29/76/54/468297654.db2.gz YVIWFSMSTPNJJD-WBVHZDCISA-N 0 3 348.399 2.268 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000590659188 468297882 /nfs/dbraw/zinc/29/78/82/468297882.db2.gz YVIWFSMSTPNJJD-DOTOQJQBSA-N 0 3 348.399 2.268 10 5 EEBEHN CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000121117894 463082634 /nfs/dbraw/zinc/08/26/34/463082634.db2.gz MYIVMQJVZDYPOA-GXTWGEPZSA-N 0 3 335.404 2.406 10 5 EEBEHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000157778320 463168465 /nfs/dbraw/zinc/16/84/65/463168465.db2.gz OVNLIMGNLABEIL-GFCCVEGCSA-N 0 3 347.419 2.367 10 5 EEBEHN CN(C)C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000172305084 464045288 /nfs/dbraw/zinc/04/52/88/464045288.db2.gz PWXRBMZYXSCEFG-CYBMUJFWSA-N 0 3 349.412 2.212 10 5 EEBEHN CCNC(=O)C[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000284977427 464414113 /nfs/dbraw/zinc/41/41/13/464414113.db2.gz XWERRNBWBGCBJU-GDBMZVCRSA-N 0 3 335.404 2.009 10 5 EEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(CCN(C)C)CC1 ZINC000286068156 464792281 /nfs/dbraw/zinc/79/22/81/464792281.db2.gz IXOFTJZGNBEHJL-UHFFFAOYSA-N 0 3 334.420 2.235 10 5 EEBEHN COC[C@@](C)(CCO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000267352385 464926943 /nfs/dbraw/zinc/92/69/43/464926943.db2.gz MCQPQWAQCYOFHJ-CYBMUJFWSA-N 0 3 347.209 2.234 10 5 EEBEHN C[C@@H](CO)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295687057 464929446 /nfs/dbraw/zinc/92/94/46/464929446.db2.gz HVTWWOQCCTUJQT-AEJSXWLSSA-N 0 3 329.784 2.182 10 5 EEBEHN Cc1n[nH]c(C(=O)N(CCN2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000345880361 465912607 /nfs/dbraw/zinc/91/26/07/465912607.db2.gz FXMOSOXWVAQOCL-UHFFFAOYSA-N 0 3 337.424 2.353 10 5 EEBEHN Cc1[nH]nc(C(=O)N(CCN2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000345880361 465912609 /nfs/dbraw/zinc/91/26/09/465912609.db2.gz FXMOSOXWVAQOCL-UHFFFAOYSA-N 0 3 337.424 2.353 10 5 EEBEHN C[C@@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301685659 466008672 /nfs/dbraw/zinc/00/86/72/466008672.db2.gz LLQOHJCHKXMXBI-LLVKDONJSA-N 0 3 334.376 2.212 10 5 EEBEHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1ccncc1 ZINC000353938714 466269041 /nfs/dbraw/zinc/26/90/41/466269041.db2.gz YJQKQJXWMPZFOF-UHFFFAOYSA-N 0 3 329.360 2.208 10 5 EEBEHN Cc1cc(CCN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)on1 ZINC000353995996 466311031 /nfs/dbraw/zinc/31/10/31/466311031.db2.gz MXOGLGLFWOFNJM-LLVKDONJSA-N 0 3 332.360 2.441 10 5 EEBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408153695 467518813 /nfs/dbraw/zinc/51/88/13/467518813.db2.gz LHNLBKJOSDVFLX-AAEUAGOBSA-N 0 3 328.372 2.385 10 5 EEBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449357531 467633044 /nfs/dbraw/zinc/63/30/44/467633044.db2.gz AXCLKJLRFMUAND-VOKWIDLSSA-N 0 3 331.416 2.403 10 5 EEBEHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531888876 468082662 /nfs/dbraw/zinc/08/26/62/468082662.db2.gz CXVFPURFIJISLZ-UHFFFAOYSA-N 0 3 328.372 2.194 10 5 EEBEHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600470721 468566902 /nfs/dbraw/zinc/56/69/02/468566902.db2.gz IDSDXTQQECLDSD-GFCCVEGCSA-N 0 3 335.408 2.188 10 5 EEBEHN CC(C)(C)N1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597920358 468711375 /nfs/dbraw/zinc/71/13/75/468711375.db2.gz ANWYMAFDMXBGDR-SNVBAGLBSA-N 0 3 341.358 2.405 10 5 EEBEHN C[C@@H](CN1CCN(C)CC1)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463484 468991035 /nfs/dbraw/zinc/99/10/35/468991035.db2.gz WXWAMSSXWMKUSN-ZDUSSCGKSA-N 0 3 329.404 2.191 10 5 EEBEHN C[C@H](CN1CCN(C)CC1)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463483 468991211 /nfs/dbraw/zinc/99/12/11/468991211.db2.gz WXWAMSSXWMKUSN-CYBMUJFWSA-N 0 3 329.404 2.191 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccccc2F)CC2CC2)c1 ZINC000595767388 468996816 /nfs/dbraw/zinc/99/68/16/468996816.db2.gz PWRUCURKGVYRER-INIZCTEOSA-N 0 3 348.378 2.204 10 5 EEBEHN COc1cc(CN2CC[C@@H](F)[C@H](N)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595905819 469075569 /nfs/dbraw/zinc/07/55/69/469075569.db2.gz GQIYLNIERYIIBJ-NXEZZACHSA-N 0 3 349.309 2.076 10 5 EEBEHN CN1CCOC[C@H]1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000599002765 469084929 /nfs/dbraw/zinc/08/49/29/469084929.db2.gz AQQDBQYHHVGKMY-OAHLLOKOSA-N 0 3 331.372 2.275 10 5 EEBEHN CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000596186564 469192236 /nfs/dbraw/zinc/19/22/36/469192236.db2.gz KITHJABDWLVIFY-INIZCTEOSA-N 0 3 334.420 2.263 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000604562254 469494869 /nfs/dbraw/zinc/49/48/69/469494869.db2.gz WOFCEEDGJNWFKE-UHFFFAOYSA-N 0 3 326.356 2.261 10 5 EEBEHN Cc1cccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001481206937 1180157741 /nfs/dbraw/zinc/15/77/41/1180157741.db2.gz FMEKXIBXQULSHI-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN Cc1ccc(CC(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001481223192 1180352774 /nfs/dbraw/zinc/35/27/74/1180352774.db2.gz WFLSLBRJAFTREF-UHFFFAOYSA-N 0 3 331.372 2.287 10 5 EEBEHN Cc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1[N+](=O)[O-] ZINC000870962729 1200978438 /nfs/dbraw/zinc/97/84/38/1200978438.db2.gz ODNNKKGHFLJLEI-INIZCTEOSA-N 0 3 325.368 2.406 10 5 EEBEHN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2)cc1 ZINC000813115328 1201125952 /nfs/dbraw/zinc/12/59/52/1201125952.db2.gz PCUYIEUTBQVDSV-UKRRQHHQSA-N 0 3 334.372 2.056 10 5 EEBEHN CCc1nc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001317579217 1332306609 /nfs/dbraw/zinc/30/66/09/1332306609.db2.gz JQXZPEFNROGQCN-UHFFFAOYSA-N 0 3 332.360 2.007 10 5 EEBEHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)CC2(C)CC2)CC1 ZINC001318960727 1332629912 /nfs/dbraw/zinc/62/99/12/1332629912.db2.gz DMWXTJXNNSEPAX-JOCQHMNTSA-N 0 3 349.435 2.036 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCN1C1CCOCC1 ZINC001345662595 1337455778 /nfs/dbraw/zinc/45/57/78/1337455778.db2.gz FFPZMEXVHGYARP-OAHLLOKOSA-N 0 3 334.372 2.313 10 5 EEBEHN Cc1cc(C[NH+](C)C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001570235307 1343039210 /nfs/dbraw/zinc/03/92/10/1343039210.db2.gz VPDIMRAFDGYQBI-UHFFFAOYSA-N 0 3 330.344 2.318 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC001668772524 1356001634 /nfs/dbraw/zinc/00/16/34/1356001634.db2.gz CYGRQQLJONPNEF-UPHRSURJSA-N 0 3 344.346 2.205 10 5 EEBEHN C[C@@H]1CCN(CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001136975864 788378654 /nfs/dbraw/zinc/37/86/54/788378654.db2.gz NGCWJWACKFIIFE-GFCCVEGCSA-N 0 3 342.399 2.402 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CONC(=N)COC(C)(C)C)c1 ZINC000844767229 789381582 /nfs/dbraw/zinc/38/15/82/789381582.db2.gz ZMCRMCDMEBTJBN-UHFFFAOYSA-N 0 3 339.348 2.195 10 5 EEBEHN O=C(/C=C/c1ccc[nH]1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001497573293 1102684574 /nfs/dbraw/zinc/68/45/74/1102684574.db2.gz ODBHRUBVBQFEAZ-PLKBPYKHSA-N 0 3 340.383 2.398 10 5 EEBEHN CN(CCSc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000193745370 240292995 /nfs/dbraw/zinc/29/29/95/240292995.db2.gz FBVGIDYRRZAMHQ-UHFFFAOYSA-N 0 3 346.412 2.313 10 5 EEBEHN CNc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017506 218186292 /nfs/dbraw/zinc/18/62/92/218186292.db2.gz LTAWJAXSCXVOGL-MRXNPFEDSA-N 0 3 348.447 2.181 10 5 EEBEHN CN(C)CCOc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067329909 292159255 /nfs/dbraw/zinc/15/92/55/292159255.db2.gz AVHJVHSSTSDMNS-UHFFFAOYSA-N 0 3 343.383 2.465 10 5 EEBEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191875181 160162553 /nfs/dbraw/zinc/16/25/53/160162553.db2.gz JYWRIFNWBWHQGZ-ZDUSSCGKSA-N 0 3 343.449 2.220 10 5 EEBEHN CC(C)(C)[NH+]1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194405551 160193404 /nfs/dbraw/zinc/19/34/04/160193404.db2.gz DBPVVMKLDLLTQR-UHFFFAOYSA-N 0 3 347.462 2.198 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245475453 160238126 /nfs/dbraw/zinc/23/81/26/160238126.db2.gz RXFWVTKNMVTNSX-SJORKVTESA-N 0 3 346.431 2.116 10 5 EEBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000271387269 274127688 /nfs/dbraw/zinc/12/76/88/274127688.db2.gz YJFJGCTUJSIFIP-UHFFFAOYSA-N 0 3 330.388 2.302 10 5 EEBEHN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000292003510 275362872 /nfs/dbraw/zinc/36/28/72/275362872.db2.gz RMCQLEBMZUQJFV-CYBMUJFWSA-N 0 3 344.415 2.424 10 5 EEBEHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCN(C2CC2)C1 ZINC000347889015 465288420 /nfs/dbraw/zinc/28/84/20/465288420.db2.gz JHBYZHCAFBHWCI-CYBMUJFWSA-N 0 3 328.372 2.385 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCSCC1 ZINC000089985507 462760590 /nfs/dbraw/zinc/76/05/90/462760590.db2.gz ILKBJUBMYJFCBI-UHFFFAOYSA-N 0 3 339.417 2.371 10 5 EEBEHN Cc1c(Cl)cc(S(=O)(=O)NCCN(C)C(C)C)cc1[N+](=O)[O-] ZINC000155612760 462917696 /nfs/dbraw/zinc/91/76/96/462917696.db2.gz IEUPOLIHCNRKFO-UHFFFAOYSA-N 0 3 349.840 2.175 10 5 EEBEHN CCn1cnnc1[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000161263459 463415211 /nfs/dbraw/zinc/41/52/11/463415211.db2.gz LOMWULBXJMNRGP-CQSZACIVSA-N 0 3 345.403 2.465 10 5 EEBEHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCN2CCC[C@@H]2C1 ZINC000172640848 464124003 /nfs/dbraw/zinc/12/40/03/464124003.db2.gz RSKLXVIRJMJPDX-LLVKDONJSA-N 0 3 337.351 2.195 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294739577 464590779 /nfs/dbraw/zinc/59/07/79/464590779.db2.gz XYYMMROIUOMNFL-HNNXBMFYSA-N 0 3 333.388 2.110 10 5 EEBEHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000183093963 464795433 /nfs/dbraw/zinc/79/54/33/464795433.db2.gz GIRHUKWODRSHBB-TVQRCGJNSA-N 0 3 327.768 2.344 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@H]1CCCO1 ZINC000183223966 464826368 /nfs/dbraw/zinc/82/63/68/464826368.db2.gz SNYSXEUXOLLMDS-UHIISALHSA-N 0 3 337.376 2.088 10 5 EEBEHN C[C@]12CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298196658 465330263 /nfs/dbraw/zinc/33/02/63/465330263.db2.gz BZINLTOPGUJNEQ-DFBGVHRSSA-N 0 3 342.342 2.312 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000580076713 468462938 /nfs/dbraw/zinc/46/29/38/468462938.db2.gz DWYFCJSXLIDAPR-KRWDZBQOSA-N 0 3 325.368 2.222 10 5 EEBEHN C[C@@H]1CCCN(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301693472 466011117 /nfs/dbraw/zinc/01/11/17/466011117.db2.gz OPFKUWCWJWLCKN-LLVKDONJSA-N 0 3 334.376 2.070 10 5 EEBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 ZINC000338478360 466158819 /nfs/dbraw/zinc/15/88/19/466158819.db2.gz WCHUOZJODLFAFW-CJNGLKHVSA-N 0 3 338.379 2.391 10 5 EEBEHN CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000347016371 466322632 /nfs/dbraw/zinc/32/26/32/466322632.db2.gz WBWXJQNGTPWKGS-CQSZACIVSA-N 0 3 333.388 2.059 10 5 EEBEHN COC[C@@](C)(O)CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449386841 467635106 /nfs/dbraw/zinc/63/51/06/467635106.db2.gz VKWKPWMKFDARTA-AWEZNQCLSA-N 0 3 334.319 2.073 10 5 EEBEHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629090 468066293 /nfs/dbraw/zinc/06/62/93/468066293.db2.gz CUMLMMXIVGLKOM-UHFFFAOYSA-N 0 3 346.362 2.333 10 5 EEBEHN O=[N+]([O-])c1cnc2ccccc2c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000589864409 468191211 /nfs/dbraw/zinc/19/12/11/468191211.db2.gz KGCQHBQUFURVGA-CQSZACIVSA-N 0 3 342.399 2.230 10 5 EEBEHN CNC(=O)[C@@]1(C(F)(F)F)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592183835 468647743 /nfs/dbraw/zinc/64/77/43/468647743.db2.gz FXWSZJLDRMJIMS-CQSZACIVSA-N 0 3 345.321 2.138 10 5 EEBEHN O=[N+]([O-])c1ccc(CCO)c(-c2cccc([C@H]3CNCCO3)c2)c1 ZINC000600792654 468659602 /nfs/dbraw/zinc/65/96/02/468659602.db2.gz KYCCCGBOJUWUCW-GOSISDBHSA-N 0 3 328.368 2.458 10 5 EEBEHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(CC)C1 ZINC000598040511 468746200 /nfs/dbraw/zinc/74/62/00/468746200.db2.gz GWQDFHLXVXXSEK-LBPRGKRZSA-N 0 3 331.376 2.027 10 5 EEBEHN CN1CC[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000560404488 468801100 /nfs/dbraw/zinc/80/11/00/468801100.db2.gz CFCRTVQAVGBLPQ-QMMMGPOBSA-N 0 3 328.166 2.248 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]CCC[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC000601292510 468813101 /nfs/dbraw/zinc/81/31/01/468813101.db2.gz PBXWAQFSMIWGHO-UHFFFAOYSA-N 0 3 347.462 2.119 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000595635459 468932805 /nfs/dbraw/zinc/93/28/05/468932805.db2.gz VEQZCMGBUKBUTA-VBNZEHGJSA-N 0 3 338.404 2.259 10 5 EEBEHN COc1ccc(OCCN2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595690153 468956298 /nfs/dbraw/zinc/95/62/98/468956298.db2.gz VZRWSKBQSMFQKW-CALCHBBNSA-N 0 3 336.388 2.341 10 5 EEBEHN Cc1c(NC(=O)[C@@H](C)N(C)[C@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595907298 469077144 /nfs/dbraw/zinc/07/71/44/469077144.db2.gz IEFJRWXTTMQNSB-BXKDBHETSA-N 0 3 348.325 2.052 10 5 EEBEHN [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000593739080 469117949 /nfs/dbraw/zinc/11/79/49/469117949.db2.gz VIMNNQQLCOXJBA-QEORTHHSSA-N 0 3 335.404 2.019 10 5 EEBEHN CC(C)c1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc1[N+](=O)[O-] ZINC000588814719 469167785 /nfs/dbraw/zinc/16/77/85/469167785.db2.gz XUJPVNFSRDNVHJ-SFHVURJKSA-N 0 3 349.431 2.247 10 5 EEBEHN CN(C)CCn1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cn1 ZINC000611195625 469189079 /nfs/dbraw/zinc/18/90/79/469189079.db2.gz VZTLUWLNMODQTR-UHFFFAOYSA-N 0 3 342.359 2.087 10 5 EEBEHN CC(=O)c1cc(N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596269650 469227163 /nfs/dbraw/zinc/22/71/63/469227163.db2.gz WONAXDSMJFWXRX-UHFFFAOYSA-N 0 3 347.415 2.489 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552024 469290783 /nfs/dbraw/zinc/29/07/83/469290783.db2.gz COJOKRDWQXGQNZ-IMJJTQAJSA-N 0 3 338.429 2.304 10 5 EEBEHN C[C@H]1COCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763901694 577727664 /nfs/dbraw/zinc/72/76/64/577727664.db2.gz MJGFQXMRXXNMFS-ONGXEEELSA-N 0 3 327.768 2.201 10 5 EEBEHN Cc1cccc(C2(O)CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000746674133 577932169 /nfs/dbraw/zinc/93/21/69/577932169.db2.gz NVTHVGURRFSZIH-UHFFFAOYSA-N 0 3 344.415 2.392 10 5 EEBEHN Cc1cc(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)no1 ZINC001484624319 1191442318 /nfs/dbraw/zinc/44/23/18/1191442318.db2.gz XERXZCDHARHPCA-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN CC(COC(=O)CCSc1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813099908 1201096003 /nfs/dbraw/zinc/09/60/03/1201096003.db2.gz GYJGMWZLNKPTBG-SNVBAGLBSA-N 0 3 327.358 2.148 10 5 EEBEHN CC(C)N1CCN(c2ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc2)CC1 ZINC000813102136 1201097432 /nfs/dbraw/zinc/09/74/32/1201097432.db2.gz OASDAQVPHTYYGM-CQSZACIVSA-N 0 3 335.404 2.039 10 5 EEBEHN CC(COC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)[N+](=O)[O-] ZINC000813106648 1201116114 /nfs/dbraw/zinc/11/61/14/1201116114.db2.gz FPEFRFBIASRWKA-BFHYXJOUSA-N 0 3 336.388 2.118 10 5 EEBEHN O=C(OCc1ccc([N+](=O)[O-])cc1F)C1CCCN(C2CC2)C1=O ZINC000924057956 1205932538 /nfs/dbraw/zinc/93/25/38/1205932538.db2.gz KHJMIHYLPIGYPE-CYBMUJFWSA-N 0 3 336.319 2.178 10 5 EEBEHN CN(CCCNC(=O)CC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001490170318 1291006856 /nfs/dbraw/zinc/00/68/56/1291006856.db2.gz UUXGHDSEJANDJF-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN CN(CCCNC(=O)c1cncc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001490175663 1291010994 /nfs/dbraw/zinc/01/09/94/1291010994.db2.gz IBJHOPPTVYPPTJ-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855165649 1293096096 /nfs/dbraw/zinc/09/60/96/1293096096.db2.gz XRFANYAWXRKVIO-SNVBAGLBSA-N 0 3 349.416 2.202 10 5 EEBEHN Cc1cc[nH]c1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001264981772 1322830930 /nfs/dbraw/zinc/83/09/30/1322830930.db2.gz RCYNRGCVKFKLMF-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN CC[C@H](C)N[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC001638679776 1352690548 /nfs/dbraw/zinc/69/05/48/1352690548.db2.gz FVXTZRXEAGABEV-CMPLNLGQSA-N 0 3 347.375 2.024 10 5 EEBEHN CCN1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C(C)(C)C1 ZINC001639265905 1352696205 /nfs/dbraw/zinc/69/62/05/1352696205.db2.gz DCQMAOLLVPZAFI-HNNXBMFYSA-N 0 3 335.404 2.129 10 5 EEBEHN O=[N+]([O-])c1c(N2CCN[C@H](c3ccccc3)C2)nc2sccn21 ZINC001643213847 1352743199 /nfs/dbraw/zinc/74/31/99/1352743199.db2.gz OFIKCNVPFMQQFH-LBPRGKRZSA-N 0 3 329.385 2.455 10 5 EEBEHN CC1(C)CCN(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC001653552299 1354126635 /nfs/dbraw/zinc/12/66/35/1354126635.db2.gz NVDRJFAHQUZPCM-UHFFFAOYSA-N 0 3 349.416 2.061 10 5 EEBEHN CN(CCCN(C)C(=O)c1cnns1)Cc1ccc([N+](=O)[O-])cc1 ZINC001673420970 1356689145 /nfs/dbraw/zinc/68/91/45/1356689145.db2.gz OQMGLDSPECISBT-UHFFFAOYSA-N 0 3 349.416 2.040 10 5 EEBEHN CC(C)Oc1cc(C(=O)N[C@H]2CN(C)CC2(C)C)ccc1[N+](=O)[O-] ZINC001456172447 1109109869 /nfs/dbraw/zinc/10/98/69/1109109869.db2.gz FCJOVNJKODQDHB-HNNXBMFYSA-N 0 3 335.404 2.452 10 5 EEBEHN CN(C)CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001464575370 1110397520 /nfs/dbraw/zinc/39/75/20/1110397520.db2.gz MDQQGRLUYSEQRM-UHFFFAOYSA-N 0 3 337.767 2.180 10 5 EEBEHN Cc1c(CN2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cccc1[N+](=O)[O-] ZINC001473602459 1110577371 /nfs/dbraw/zinc/57/73/71/1110577371.db2.gz RFYYDQQLOZBTTE-GFCCVEGCSA-N 0 3 330.344 2.094 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)c1 ZINC000193275803 240085658 /nfs/dbraw/zinc/08/56/58/240085658.db2.gz XYPLIMLHSCPSSD-UHFFFAOYSA-N 0 3 347.824 2.106 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N2CCN3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246784121 160294595 /nfs/dbraw/zinc/29/45/95/160294595.db2.gz ZKNXSNUBVSHAOY-KBPBESRZSA-N 0 3 332.404 2.010 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342459032 161066814 /nfs/dbraw/zinc/06/68/14/161066814.db2.gz BWQAXYYTJQQBSN-SMDDNHRTSA-N 0 3 333.388 2.206 10 5 EEBEHN O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000122971512 222193444 /nfs/dbraw/zinc/19/34/44/222193444.db2.gz WDDCCAMVCMAYDL-AWEZNQCLSA-N 0 3 343.387 2.102 10 5 EEBEHN COCCN1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413056947 274027283 /nfs/dbraw/zinc/02/72/83/274027283.db2.gz DVAVUJGKDBFQSM-UHFFFAOYSA-N 0 3 330.388 2.302 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294739580 293532224 /nfs/dbraw/zinc/53/22/24/293532224.db2.gz XYYMMROIUOMNFL-OAHLLOKOSA-N 0 3 333.388 2.110 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415583468 313148483 /nfs/dbraw/zinc/14/84/83/313148483.db2.gz RDPSXXWCELMASE-GFCCVEGCSA-N 0 3 328.319 2.330 10 5 EEBEHN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000417844013 313615993 /nfs/dbraw/zinc/61/59/93/313615993.db2.gz HHGAFNWIGNPCMH-MFKMUULPSA-N 0 3 342.346 2.261 10 5 EEBEHN CC(C)N(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)CO ZINC000421402200 314097507 /nfs/dbraw/zinc/09/75/07/314097507.db2.gz DGJLAMXOWWUZOX-OAHLLOKOSA-N 0 3 334.372 2.418 10 5 EEBEHN CCO[C@@H]1C[C@](CO)(NCc2ccc([N+](=O)[O-])c(OC)c2)C1(C)C ZINC000444803973 315325961 /nfs/dbraw/zinc/32/59/61/315325961.db2.gz ONXRUXHMDVQMSM-NVXWUHKLSA-N 0 3 338.404 2.259 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000522002414 316945665 /nfs/dbraw/zinc/94/56/65/316945665.db2.gz VFAVTTKANNXMFV-QGZVFWFLSA-N 0 3 341.367 2.058 10 5 EEBEHN COc1cc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000564808789 319112142 /nfs/dbraw/zinc/11/21/42/319112142.db2.gz CEGFPNQZEUKMSC-HZPDHXFCSA-N 0 3 349.431 2.336 10 5 EEBEHN CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000341238590 465070499 /nfs/dbraw/zinc/07/04/99/465070499.db2.gz AILGSFZBIUGTSD-OAHLLOKOSA-N 0 3 332.404 2.015 10 5 EEBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000049128863 462956177 /nfs/dbraw/zinc/95/61/77/462956177.db2.gz BUGMEJDEDWARND-SCZZXKLOSA-N 0 3 330.797 2.218 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN2CCCN(Cc3ccccc3F)CC2)c1 ZINC000095963072 463116182 /nfs/dbraw/zinc/11/61/82/463116182.db2.gz BGRFIJPIRQRCDA-UHFFFAOYSA-N 0 3 347.394 2.138 10 5 EEBEHN CNc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000071792536 463425904 /nfs/dbraw/zinc/42/59/04/463425904.db2.gz JENLHWBHZBHTJC-AWEZNQCLSA-N 0 3 342.403 2.185 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000177699986 463770164 /nfs/dbraw/zinc/77/01/64/463770164.db2.gz SUHCLCIVRBHGFD-XJKSGUPXSA-N 0 3 334.420 2.338 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000266746622 464808052 /nfs/dbraw/zinc/80/80/52/464808052.db2.gz GCQLBDLZONTYTQ-HIFRSBDPSA-N 0 3 334.420 2.261 10 5 EEBEHN C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000183288617 464843652 /nfs/dbraw/zinc/84/36/52/464843652.db2.gz CIEYWWWWLTWMOA-LLVKDONJSA-N 0 3 347.462 2.199 10 5 EEBEHN COC[C@](C)(O)CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449386842 467634948 /nfs/dbraw/zinc/63/49/48/467634948.db2.gz VKWKPWMKFDARTA-CQSZACIVSA-N 0 3 334.319 2.073 10 5 EEBEHN CCc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000590399902 468247028 /nfs/dbraw/zinc/24/70/28/468247028.db2.gz FDHRCRLSCCODFQ-DOTOQJQBSA-N 0 3 347.415 2.092 10 5 EEBEHN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597946278 468721215 /nfs/dbraw/zinc/72/12/15/468721215.db2.gz NDFDVBMWBWKELF-NSHDSACASA-N 0 3 343.330 2.362 10 5 EEBEHN CC1CCN(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601104908 468742558 /nfs/dbraw/zinc/74/25/58/468742558.db2.gz LWIDXSAFOVLENO-UHFFFAOYSA-N 0 3 335.330 2.491 10 5 EEBEHN C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1CCO ZINC000601175870 468771730 /nfs/dbraw/zinc/77/17/30/468771730.db2.gz RCBQNSPCFURTSG-OLZOCXBDSA-N 0 3 330.388 2.034 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C2CCC(CO)CC2)c1 ZINC000593021934 468842177 /nfs/dbraw/zinc/84/21/77/468842177.db2.gz BANRPGMDGOWWEM-UHFFFAOYSA-N 0 3 336.388 2.364 10 5 EEBEHN CC1(C)CCC[C@@](CO)(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599596314 469303938 /nfs/dbraw/zinc/30/39/38/469303938.db2.gz RFWWULWWMWEJCC-QGZVFWFLSA-N 0 3 335.404 2.115 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCC1CCOCC1 ZINC001481287038 1180863274 /nfs/dbraw/zinc/86/32/74/1180863274.db2.gz RVWNGRPMNVVBCL-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1ccn(C)c1 ZINC001268786293 1183700241 /nfs/dbraw/zinc/70/02/41/1183700241.db2.gz RGNVKPBMVXWSKM-UHFFFAOYSA-N 0 3 330.388 2.185 10 5 EEBEHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)C=C1CCCCC1 ZINC001483454892 1190483964 /nfs/dbraw/zinc/48/39/64/1190483964.db2.gz ADPQPXYXGRVIIX-UHFFFAOYSA-N 0 3 349.435 2.157 10 5 EEBEHN COCCN1CCC[C@@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031980 1198030541 /nfs/dbraw/zinc/03/05/41/1198030541.db2.gz OQUJEWCYJJIQLA-QWHCGFSZSA-N 0 3 325.384 2.495 10 5 EEBEHN CCN(CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267242434 1276669221 /nfs/dbraw/zinc/66/92/21/1276669221.db2.gz KVUGZNIHIHTYQR-UHFFFAOYSA-N 0 3 348.447 2.017 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCNC(C)(C)C(=O)Nc1ccccc1 ZINC001655190354 1354166770 /nfs/dbraw/zinc/16/67/70/1354166770.db2.gz OYQMYPHXPZHCAC-UHFFFAOYSA-N 0 3 331.376 2.107 10 5 EEBEHN CCOCC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001698793701 1405070872 /nfs/dbraw/zinc/07/08/72/1405070872.db2.gz LLNNJAMFMBGJMI-UHFFFAOYSA-N 0 3 335.404 2.150 10 5 EEBEHN CC1(C)CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000906897159 784244874 /nfs/dbraw/zinc/24/48/74/784244874.db2.gz WKIAREHAHMRWCC-UHFFFAOYSA-N 0 3 325.796 2.391 10 5 EEBEHN CC(C)OCCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001480127824 1099692795 /nfs/dbraw/zinc/69/27/95/1099692795.db2.gz PPFLHQJNMSBGHV-SHTZXODSSA-N 0 3 335.404 2.147 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647082 214247702 /nfs/dbraw/zinc/24/77/02/214247702.db2.gz QOYSQAYIDXMZON-AWEZNQCLSA-N 0 3 334.420 2.311 10 5 EEBEHN CCCC[N@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341967253 161028016 /nfs/dbraw/zinc/02/80/16/161028016.db2.gz ZJZOWHIGILOMSA-JTQLQIEISA-N 0 3 335.451 2.055 10 5 EEBEHN CCCC[N@@H+](C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341967253 161028017 /nfs/dbraw/zinc/02/80/17/161028017.db2.gz ZJZOWHIGILOMSA-JTQLQIEISA-N 0 3 335.451 2.055 10 5 EEBEHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](N)c1ccccc1 ZINC000418420534 313808032 /nfs/dbraw/zinc/80/80/32/313808032.db2.gz BEQIOQUNLNAEFB-INIZCTEOSA-N 0 3 342.399 2.479 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCCC3)C2)c1 ZINC000326321063 465037770 /nfs/dbraw/zinc/03/77/70/465037770.db2.gz XXOFBZYLFUHYSJ-AWEZNQCLSA-N 0 3 333.388 2.446 10 5 EEBEHN COc1cnccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000358288104 465040090 /nfs/dbraw/zinc/04/00/90/465040090.db2.gz ISXFKQVTSKEAII-UHFFFAOYSA-N 0 3 348.384 2.022 10 5 EEBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069843416 463336382 /nfs/dbraw/zinc/33/63/82/463336382.db2.gz DZJNXNLGSQQXCB-SWLSCSKDSA-N 0 3 344.415 2.478 10 5 EEBEHN CC[C@@H](NCCn1nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000161657791 463446632 /nfs/dbraw/zinc/44/66/32/463446632.db2.gz POONTSBMUORTJH-OAHLLOKOSA-N 0 3 341.371 2.145 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108299335 463595512 /nfs/dbraw/zinc/59/55/12/463595512.db2.gz JRRSWBKEFXHZCG-CQSZACIVSA-N 0 3 333.388 2.208 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000194737537 463919450 /nfs/dbraw/zinc/91/94/50/463919450.db2.gz ISDSMXNZEMPYGT-AWEZNQCLSA-N 0 3 332.404 2.019 10 5 EEBEHN COc1cc(CNC2(CO)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000351923514 465445319 /nfs/dbraw/zinc/44/53/19/465445319.db2.gz XDKGRWIZAXNGHQ-UHFFFAOYSA-N 0 3 328.368 2.223 10 5 EEBEHN COC(=O)/C=C/c1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000271762080 464374765 /nfs/dbraw/zinc/37/47/65/464374765.db2.gz DWKZGSCBKQGKBX-GQCTYLIASA-N 0 3 331.372 2.455 10 5 EEBEHN C[C@H]1CN2CCC[C@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000247126979 464652785 /nfs/dbraw/zinc/65/27/85/464652785.db2.gz JGBBYEADUVPEGH-AAEUAGOBSA-N 0 3 330.388 2.152 10 5 EEBEHN C[C@@H]1CC(O)C[C@@H](C)N1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191134914 464783924 /nfs/dbraw/zinc/78/39/24/464783924.db2.gz BQGDZSWOAWTXLH-GHMZBOCLSA-N 0 3 339.367 2.296 10 5 EEBEHN COc1cc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000268205453 464971404 /nfs/dbraw/zinc/97/14/04/464971404.db2.gz ZXSVOYVACQELBY-UHFFFAOYSA-N 0 3 340.399 2.180 10 5 EEBEHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268234789 464985561 /nfs/dbraw/zinc/98/55/61/464985561.db2.gz SXLIVRZKYZIJOL-QLJPJBMISA-N 0 3 328.372 2.289 10 5 EEBEHN CNC(=O)CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594014083 468460383 /nfs/dbraw/zinc/46/03/83/468460383.db2.gz LLTDTTSUULGIOJ-WKILWMFISA-N 0 3 349.431 2.227 10 5 EEBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 ZINC000338478366 466158109 /nfs/dbraw/zinc/15/81/09/466158109.db2.gz WCHUOZJODLFAFW-XJKSGUPXSA-N 0 3 338.379 2.391 10 5 EEBEHN CN(C)CCN1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302856347 466199964 /nfs/dbraw/zinc/19/99/64/466199964.db2.gz SCSNLBNKRSLZRQ-UHFFFAOYSA-N 0 3 333.436 2.001 10 5 EEBEHN C[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000353945968 466273188 /nfs/dbraw/zinc/27/31/88/466273188.db2.gz DARBYWGRNXWQEN-IUODEOHRSA-N 0 3 341.433 2.060 10 5 EEBEHN CC(C)c1n[nH]c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433773352 467352454 /nfs/dbraw/zinc/35/24/54/467352454.db2.gz GFCHUFCPOGBITE-RYUDHWBXSA-N 0 3 337.424 2.434 10 5 EEBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000449365174 467634125 /nfs/dbraw/zinc/63/41/25/467634125.db2.gz VESKBYZQXPMZDC-CYBMUJFWSA-N 0 3 332.381 2.256 10 5 EEBEHN CC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000449419598 467642400 /nfs/dbraw/zinc/64/24/00/467642400.db2.gz BNGUFTSJKWGDQP-DUFXMDAXSA-N 0 3 345.346 2.306 10 5 EEBEHN C[C@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000549326903 468181870 /nfs/dbraw/zinc/18/18/70/468181870.db2.gz GDUBOIFSIKWIMQ-QGZVFWFLSA-N 0 3 343.387 2.102 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000590447245 468259500 /nfs/dbraw/zinc/25/95/00/468259500.db2.gz WOMMPLDOXWBMBF-TVQRCGJNSA-N 0 3 343.305 2.390 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000594733524 468667997 /nfs/dbraw/zinc/66/79/97/468667997.db2.gz XKDUZCVXHSIPPU-HEHGZKQESA-N 0 3 338.429 2.394 10 5 EEBEHN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCN(CC)C1 ZINC000598038910 468745704 /nfs/dbraw/zinc/74/57/04/468745704.db2.gz HCFHPYKSAPLDOF-LLVKDONJSA-N 0 3 341.358 2.358 10 5 EEBEHN C[C@H]1C[C@H](N2CCCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165036 468767022 /nfs/dbraw/zinc/76/70/22/468767022.db2.gz JDHDFVJWGTWKGB-UWVGGRQHSA-N 0 3 347.341 2.410 10 5 EEBEHN C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@H](C)CN1CCO ZINC000601175869 468771396 /nfs/dbraw/zinc/77/13/96/468771396.db2.gz RCBQNSPCFURTSG-CHWSQXEVSA-N 0 3 330.388 2.034 10 5 EEBEHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H](N)C1 ZINC000595223852 468788864 /nfs/dbraw/zinc/78/88/64/468788864.db2.gz CAEMCDXKQPPIPR-HUUCEWRRSA-N 0 3 346.362 2.029 10 5 EEBEHN O=C(C[C@H]1NCc2ccccc21)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595254536 468794816 /nfs/dbraw/zinc/79/48/16/468794816.db2.gz ZBVYNISXONSHBI-QGZVFWFLSA-N 0 3 341.367 2.324 10 5 EEBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC1CN(c2ccncn2)C1 ZINC000601304197 468819186 /nfs/dbraw/zinc/81/91/86/468819186.db2.gz MUESNFHLDSKTFT-CYBMUJFWSA-N 0 3 327.388 2.184 10 5 EEBEHN CC[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)N1 ZINC000598531048 468901893 /nfs/dbraw/zinc/90/18/93/468901893.db2.gz FFQGYICZESNSCW-VHSXEESVSA-N 0 3 327.331 2.014 10 5 EEBEHN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1CCO ZINC000593480323 468999884 /nfs/dbraw/zinc/99/98/84/468999884.db2.gz SZDBXOMCKTXMCH-STQMWFEESA-N 0 3 330.388 2.034 10 5 EEBEHN Cc1c(NC(=O)[C@@H](C)N(C)[C@@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595907303 469077199 /nfs/dbraw/zinc/07/71/99/469077199.db2.gz IEFJRWXTTMQNSB-SKDRFNHKSA-N 0 3 348.325 2.052 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)[C@@H]3CCCO3)o2)cc1 ZINC000598989781 469079369 /nfs/dbraw/zinc/07/93/69/469079369.db2.gz AAQNHMHNDNDHFT-WBVHZDCISA-N 0 3 332.356 2.484 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2COc3ccccc3O2)c1 ZINC000749645838 577979407 /nfs/dbraw/zinc/97/94/07/577979407.db2.gz IHFZDFBPYQJVPU-CABCVRRESA-N 0 3 330.340 2.058 10 5 EEBEHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1I ZINC000813112544 675740379 /nfs/dbraw/zinc/74/03/79/675740379.db2.gz IBNYEQCKKNCUSV-MRVPVSSYSA-N 0 3 349.124 2.422 10 5 EEBEHN C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235373 688124018 /nfs/dbraw/zinc/12/40/18/688124018.db2.gz ULMJFIUOKCRCIY-CZUORRHYSA-N 0 3 330.388 2.312 10 5 EEBEHN CC(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)[N+](=O)[O-] ZINC000813111808 1201123307 /nfs/dbraw/zinc/12/33/07/1201123307.db2.gz ADTMANYKTFXGLP-MRVPVSSYSA-N 0 3 331.250 2.264 10 5 EEBEHN CC(COC(=O)c1ccc(C(F)(F)Br)nc1)[N+](=O)[O-] ZINC000851037647 1277447967 /nfs/dbraw/zinc/44/79/67/1277447967.db2.gz YRKWRCVFAWLTHQ-ZCFIWIBFSA-N 0 3 339.092 2.348 10 5 EEBEHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852351152 1292097283 /nfs/dbraw/zinc/09/72/83/1292097283.db2.gz JAELBCVJKNEPOG-NILFDRSVSA-N 0 3 326.368 2.390 10 5 EEBEHN CC(C)[C@](C)(C[NH3+])[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764792 1293910496 /nfs/dbraw/zinc/91/04/96/1293910496.db2.gz AQLCREXBCXWEHJ-ZDUSSCGKSA-N 0 3 331.319 2.056 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)n1 ZINC001159070157 1319593457 /nfs/dbraw/zinc/59/34/57/1319593457.db2.gz GOGQKXKZDWJDJM-LBPRGKRZSA-N 0 3 332.404 2.245 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnn1CCN(C)C ZINC001160555873 1320195709 /nfs/dbraw/zinc/19/57/09/1320195709.db2.gz KZWVJAPYWPXUPQ-UHFFFAOYSA-N 0 3 347.375 2.004 10 5 EEBEHN CN1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001303987265 1331372187 /nfs/dbraw/zinc/37/21/87/1331372187.db2.gz BETAPPMFURWMAQ-AWEZNQCLSA-N 0 3 337.395 2.468 10 5 EEBEHN COC(=O)[C@@H]1[C@@H](CNC(C)(C)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC001332704187 1335887109 /nfs/dbraw/zinc/88/71/09/1335887109.db2.gz DMFAENTYTTXBOQ-NEPJUHHUSA-N 0 3 328.315 2.474 10 5 EEBEHN COCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001672338756 1356504669 /nfs/dbraw/zinc/50/46/69/1356504669.db2.gz PAUASQMIEADGBQ-RBVVOMGSSA-N 0 3 347.415 2.100 10 5 EEBEHN C[C@@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CN2CCC1CC2 ZINC000912378876 788132607 /nfs/dbraw/zinc/13/26/07/788132607.db2.gz KYBRZJUAJAZBPO-QGZVFWFLSA-N 0 3 328.372 2.290 10 5 EEBEHN CCOCC(=O)N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1 ZINC001495439556 1101155517 /nfs/dbraw/zinc/15/55/17/1101155517.db2.gz HWTYIHIKGOUELW-JOCQHMNTSA-N 0 3 341.433 2.210 10 5 EEBEHN Cc1ccncc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001493508263 1108247117 /nfs/dbraw/zinc/24/71/17/1108247117.db2.gz MYFACAZRKABZLU-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN CN1CC[C@@H]2CN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C[C@@H]21 ZINC000456163062 283083121 /nfs/dbraw/zinc/08/31/21/283083121.db2.gz JFDPPFVTVPKBEQ-SKDRFNHKSA-N 0 3 343.305 2.390 10 5 EEBEHN NC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451343715 243084592 /nfs/dbraw/zinc/08/45/92/243084592.db2.gz OVXLSFYVSAFFSI-UXLLHSPISA-N 0 3 347.415 2.209 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451589818 243168610 /nfs/dbraw/zinc/16/86/10/243168610.db2.gz WPRSMMFYIPUQGK-DFBGVHRSSA-N 0 3 349.387 2.243 10 5 EEBEHN CCNC(=O)N1CC[C@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468981148 245367174 /nfs/dbraw/zinc/36/71/74/245367174.db2.gz MHPVRNWJVUOELK-GLNPCMGASA-N 0 3 332.404 2.392 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN(C)Cc1ccccc1 ZINC000053349131 292137356 /nfs/dbraw/zinc/13/73/56/292137356.db2.gz IPAMVMAFLHZQED-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559617 159197296 /nfs/dbraw/zinc/19/72/96/159197296.db2.gz SUSDKPUWSFWSHI-DYVFJYSZSA-N 0 3 343.383 2.081 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245476432 160238498 /nfs/dbraw/zinc/23/84/98/160238498.db2.gz SUHCLCIVRBHGFD-CZUORRHYSA-N 0 3 334.420 2.338 10 5 EEBEHN COc1cc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000352781142 162283746 /nfs/dbraw/zinc/28/37/46/162283746.db2.gz XOSRBKMBRQARQJ-ZIAGYGMSSA-N 0 3 333.388 2.094 10 5 EEBEHN COCCN1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450252516 274027234 /nfs/dbraw/zinc/02/72/34/274027234.db2.gz IWQFQERLIKLPAY-UHFFFAOYSA-N 0 3 330.388 2.302 10 5 EEBEHN CC(C)N(CCN1CCCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000345879757 277567752 /nfs/dbraw/zinc/56/77/52/277567752.db2.gz FIMFFHIOTYSESR-UHFFFAOYSA-N 0 3 337.424 2.055 10 5 EEBEHN COc1cnccc1N1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000360239517 278076935 /nfs/dbraw/zinc/07/69/35/278076935.db2.gz BUHSNRQYUIVLOF-UHFFFAOYSA-N 0 3 343.387 2.337 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H]1CCOC1(C)C ZINC000295143396 293626141 /nfs/dbraw/zinc/62/61/41/293626141.db2.gz CLVVEEOHRCNBJZ-QMTHXVAHSA-N 0 3 337.376 2.088 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000298982175 294630416 /nfs/dbraw/zinc/63/04/16/294630416.db2.gz NSXKKLBDBCZWSV-QGZVFWFLSA-N 0 3 341.411 2.426 10 5 EEBEHN COCCN1CCC(Nc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301450029 294857519 /nfs/dbraw/zinc/85/75/19/294857519.db2.gz SMFJLLBLOUANSX-UHFFFAOYSA-N 0 3 327.356 2.265 10 5 EEBEHN CN(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000301854510 294903018 /nfs/dbraw/zinc/90/30/18/294903018.db2.gz YINDTSFVYBSXJJ-ZDUSSCGKSA-N 0 3 344.350 2.491 10 5 EEBEHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](COC)Cc1ccccc1 ZINC000350459329 312324193 /nfs/dbraw/zinc/32/41/93/312324193.db2.gz QILNAIVSQPNKFS-MRXNPFEDSA-N 0 3 332.404 2.371 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCNc1ccncc1 ZINC000429976872 314480203 /nfs/dbraw/zinc/48/02/03/314480203.db2.gz UEKFJBCOZYWCBJ-UHFFFAOYSA-N 0 3 329.360 2.262 10 5 EEBEHN COCCN1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000571674638 319777217 /nfs/dbraw/zinc/77/72/17/319777217.db2.gz XOVOTIKNKCFJOD-UHFFFAOYSA-N 0 3 334.420 2.391 10 5 EEBEHN Cc1c(CNC(=O)CCN(C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000581583032 324281635 /nfs/dbraw/zinc/28/16/35/324281635.db2.gz HMBZXPPDKSEBME-UHFFFAOYSA-N 0 3 328.372 2.441 10 5 EEBEHN C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000076184662 462818840 /nfs/dbraw/zinc/81/88/40/462818840.db2.gz CLHFKYMKPZMCOC-QEJZJMRPSA-N 0 3 334.376 2.218 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000120199137 462973530 /nfs/dbraw/zinc/97/35/30/462973530.db2.gz FDKVIHCTXIGJGX-CYBMUJFWSA-N 0 3 336.392 2.006 10 5 EEBEHN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCN(C2CC2)CC1 ZINC000179216041 464084123 /nfs/dbraw/zinc/08/41/23/464084123.db2.gz GWBXJNVYRILAON-UHFFFAOYSA-N 0 3 342.399 2.315 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)n1 ZINC000359095892 465376369 /nfs/dbraw/zinc/37/63/69/465376369.db2.gz KOTGWAKHALHMNP-ZBFHGGJFSA-N 0 3 347.463 2.069 10 5 EEBEHN CC[C@@H](C)N[C@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccco1 ZINC000359541438 465442860 /nfs/dbraw/zinc/44/28/60/465442860.db2.gz DMEQZQYVAWKNQJ-VXGBXAGGSA-N 0 3 349.391 2.263 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000554859432 468447433 /nfs/dbraw/zinc/44/74/33/468447433.db2.gz KVIWNUBERIAROQ-GXFFZTMASA-N 0 3 349.416 2.192 10 5 EEBEHN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000594040163 468469698 /nfs/dbraw/zinc/46/96/98/468469698.db2.gz DWHRHFNREPSOIE-DOTOQJQBSA-N 0 3 347.415 2.421 10 5 EEBEHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000366119829 467064622 /nfs/dbraw/zinc/06/46/22/467064622.db2.gz PQPVQTFGEXKRBS-HIFRSBDPSA-N 0 3 340.383 2.383 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN(C)C)ccc2C)n1 ZINC000427610575 467166668 /nfs/dbraw/zinc/16/66/68/467166668.db2.gz BXXVATMOHZNORQ-UHFFFAOYSA-N 0 3 331.376 2.434 10 5 EEBEHN Cc1ncccc1OC[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000419406421 467195500 /nfs/dbraw/zinc/19/55/00/467195500.db2.gz WTHZEOQXTPFRGN-AWEZNQCLSA-N 0 3 331.376 2.038 10 5 EEBEHN CC[C@H](CO)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432319525 467230557 /nfs/dbraw/zinc/23/05/57/467230557.db2.gz GZRKMWITOVAILM-CYBMUJFWSA-N 0 3 330.388 2.036 10 5 EEBEHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCCN2CCO)c(Cl)c1 ZINC000449396995 467637918 /nfs/dbraw/zinc/63/79/18/467637918.db2.gz UANCROYGLSEQDE-AWEZNQCLSA-N 0 3 327.812 2.185 10 5 EEBEHN C[C@H]1CN(CCCNc2c3ccccc3ncc2[N+](=O)[O-])CCCO1 ZINC000487739889 468051919 /nfs/dbraw/zinc/05/19/19/468051919.db2.gz KLWWLFKWFINQEY-AWEZNQCLSA-N 0 3 344.415 2.478 10 5 EEBEHN CCN1CC[C@H]2OCCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@H]2C1 ZINC000549197000 468176732 /nfs/dbraw/zinc/17/67/32/468176732.db2.gz UJARSDHKHQNKLP-DLBZAZTESA-N 0 3 342.399 2.442 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597861365 468697518 /nfs/dbraw/zinc/69/75/18/468697518.db2.gz SUJQBLRARQCLEZ-JTQLQIEISA-N 0 3 341.358 2.405 10 5 EEBEHN C[C@@H]1CCCN(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601104942 468742930 /nfs/dbraw/zinc/74/29/30/468742930.db2.gz NQZBHTCBHWUPPO-SECBINFHSA-N 0 3 335.330 2.491 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000595382550 468833438 /nfs/dbraw/zinc/83/34/38/468833438.db2.gz VVOXYTFCQLSAMH-UHFFFAOYSA-N 0 3 343.449 2.135 10 5 EEBEHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601359613 468838949 /nfs/dbraw/zinc/83/89/49/468838949.db2.gz JJNNKTGLMZJUCP-LLVKDONJSA-N 0 3 347.462 2.070 10 5 EEBEHN COc1cnccc1N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595467670 468865406 /nfs/dbraw/zinc/86/54/06/468865406.db2.gz STLATZUNAOEBDG-UHFFFAOYSA-N 0 3 346.362 2.460 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@]2(CC2(F)F)C1 ZINC000593119126 468878095 /nfs/dbraw/zinc/87/80/95/468878095.db2.gz UTEQTHDDBHSTKE-BXUZGUMPSA-N 0 3 328.315 2.066 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2NCCCN1CCC(O)CC1 ZINC000596088159 469149692 /nfs/dbraw/zinc/14/96/92/469149692.db2.gz ZBVRSVMHUJQVSU-UHFFFAOYSA-N 0 3 330.388 2.402 10 5 EEBEHN CCN1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000610135709 469983337 /nfs/dbraw/zinc/98/33/37/469983337.db2.gz IWISXNDDPHFQLT-MNOVXSKESA-N 0 3 347.462 2.150 10 5 EEBEHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000457099121 485485397 /nfs/dbraw/zinc/48/53/97/485485397.db2.gz UUIWKGSYPOVHTF-LLVKDONJSA-N 0 3 341.358 2.357 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451587946 536464338 /nfs/dbraw/zinc/46/43/38/536464338.db2.gz NTFJCARQOACVHA-KGLIPLIRSA-N 0 3 349.387 2.163 10 5 EEBEHN COC(=O)c1cc(NC(=O)[C@H]2NCCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000423003682 536558071 /nfs/dbraw/zinc/55/80/71/536558071.db2.gz MZNJLDGDLZESFV-CYBMUJFWSA-N 0 3 335.360 2.098 10 5 EEBEHN CCN(CC)C(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578607 577462933 /nfs/dbraw/zinc/46/29/33/577462933.db2.gz GUUWPQILNUOIRW-QGZVFWFLSA-N 0 3 349.431 2.209 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752016533 577764619 /nfs/dbraw/zinc/76/46/19/577764619.db2.gz YVIUDOQIJGDCHI-VSOYFRJCSA-N 0 3 347.415 2.225 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000757863062 577865790 /nfs/dbraw/zinc/86/57/90/577865790.db2.gz NESLAZKETHRQEL-AEFFLSMTSA-N 0 3 330.384 2.477 10 5 EEBEHN CC(COC(=O)c1cn(C(C)(C)C)nc1Br)[N+](=O)[O-] ZINC000813106350 1201117297 /nfs/dbraw/zinc/11/72/97/1201117297.db2.gz BJWVUNQSVORAGT-ZETCQYMHSA-N 0 3 334.170 2.223 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000928433558 1206382991 /nfs/dbraw/zinc/38/29/91/1206382991.db2.gz MPNMUTNPGSRDML-KCJUWKMLSA-N 0 3 331.294 2.436 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCN1C ZINC000719385280 1213144852 /nfs/dbraw/zinc/14/48/52/1213144852.db2.gz NMDGFDYILCRFNZ-SCZZXKLOSA-N 0 3 342.193 2.180 10 5 EEBEHN CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000855491127 1293230530 /nfs/dbraw/zinc/23/05/30/1293230530.db2.gz OMLBSGQLGLQRDJ-NSHDSACASA-N 0 3 349.416 2.156 10 5 EEBEHN Cc1noc(C[C@H]2CCCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001620623306 1344576179 /nfs/dbraw/zinc/57/61/79/1344576179.db2.gz RSQXCQPKGUCJNR-CZUORRHYSA-N 0 3 346.387 2.274 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cnc(C)o1 ZINC001668449894 1355943076 /nfs/dbraw/zinc/94/30/76/1355943076.db2.gz LRAXTCYTSGWQGZ-UHFFFAOYSA-N 0 3 346.387 2.072 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000919803444 770298003 /nfs/dbraw/zinc/29/80/03/770298003.db2.gz SXENHAUZGXPCDN-CZUORRHYSA-N 0 3 334.420 2.309 10 5 EEBEHN CC(COC(=O)c1cc(Br)cc(N(C)C)c1)[N+](=O)[O-] ZINC000816091527 783664349 /nfs/dbraw/zinc/66/43/49/783664349.db2.gz AMADCWLKGGCPMQ-QMMMGPOBSA-N 0 3 331.166 2.337 10 5 EEBEHN CC(C)[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC001148133486 792179860 /nfs/dbraw/zinc/17/98/60/792179860.db2.gz VINJWJPXANYQCK-CYBMUJFWSA-N 0 3 325.796 2.247 10 5 EEBEHN CN(C)Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001468971946 1110483128 /nfs/dbraw/zinc/48/31/28/1110483128.db2.gz ODUOKCMLUBKOJC-INIZCTEOSA-N 0 3 347.346 2.468 10 5 EEBEHN C[C@H]1[C@H](CO)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000425967436 241190462 /nfs/dbraw/zinc/19/04/62/241190462.db2.gz OHSMZBSOGWFCRG-JSGCOSHPSA-N 0 3 330.388 2.198 10 5 EEBEHN CCNC(=O)N1CC[C@@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468981230 245366700 /nfs/dbraw/zinc/36/67/00/245366700.db2.gz MHPVRNWJVUOELK-UZGISAJGSA-N 0 3 332.404 2.392 10 5 EEBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000271282164 256229136 /nfs/dbraw/zinc/22/91/36/256229136.db2.gz GNUXUAYNMZGZKU-UHFFFAOYSA-N 0 3 345.346 2.355 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC3(CCCCC3)CC2)n1 ZINC000374205754 154003688 /nfs/dbraw/zinc/00/36/88/154003688.db2.gz RCUIROJGIPMHMD-UHFFFAOYSA-N 0 3 349.435 2.104 10 5 EEBEHN CC(C)C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)NCCN(C)C ZINC000129492153 292358966 /nfs/dbraw/zinc/35/89/66/292358966.db2.gz YAVZWAYQVPKKDK-AWEZNQCLSA-N 0 3 340.399 2.238 10 5 EEBEHN Cc1cnn([C@@H]2CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000246372473 160276084 /nfs/dbraw/zinc/27/60/84/160276084.db2.gz YSKWBKAVJUSNQE-IAGOWNOFSA-N 0 3 330.388 2.470 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342459031 161066800 /nfs/dbraw/zinc/06/68/00/161066800.db2.gz BWQAXYYTJQQBSN-RISCZKNCSA-N 0 3 333.388 2.206 10 5 EEBEHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000343620088 161151810 /nfs/dbraw/zinc/15/18/10/161151810.db2.gz UKTYYZLFHDWIIH-GFCCVEGCSA-N 0 3 343.383 2.462 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](NC[C@@]2(O)CCOC2)c2ccccc2)c1 ZINC000352907637 162340948 /nfs/dbraw/zinc/34/09/48/162340948.db2.gz HHJITKQJRJBYMN-MSOLQXFVSA-N 0 3 328.368 2.425 10 5 EEBEHN CN(C)[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358982651 164029449 /nfs/dbraw/zinc/02/94/49/164029449.db2.gz PADHGXZZPDURPT-NSHDSACASA-N 0 3 343.330 2.362 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cn[nH]c1 ZINC000275161138 269099354 /nfs/dbraw/zinc/09/93/54/269099354.db2.gz IYFAQBYPULUMSE-JTQLQIEISA-N 0 3 333.348 2.006 10 5 EEBEHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000278728836 274395253 /nfs/dbraw/zinc/39/52/53/274395253.db2.gz SEYQVIJDOADCBU-GFCCVEGCSA-N 0 3 325.434 2.341 10 5 EEBEHN CC(C)(NCC1CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000292063928 275370445 /nfs/dbraw/zinc/37/04/45/275370445.db2.gz CUCBBHSMIOPQGP-UHFFFAOYSA-N 0 3 326.418 2.244 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000292885156 293068701 /nfs/dbraw/zinc/06/87/01/293068701.db2.gz VHGHKUXYHYFBPB-KRWDZBQOSA-N 0 3 348.403 2.007 10 5 EEBEHN COc1ccc(NC(=O)CCN(C)c2ccncc2)cc1[N+](=O)[O-] ZINC000543002945 318148940 /nfs/dbraw/zinc/14/89/40/318148940.db2.gz XKPDAHUBHKRURQ-UHFFFAOYSA-N 0 3 330.344 2.463 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000078524533 463124928 /nfs/dbraw/zinc/12/49/28/463124928.db2.gz XGTBOGRJQKNEBP-ZDUSSCGKSA-N 0 3 330.388 2.036 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CCN(C2CC2)CC1 ZINC000125761838 463576189 /nfs/dbraw/zinc/57/61/89/463576189.db2.gz BPEBBQGRMQNMDR-UHFFFAOYSA-N 0 3 333.388 2.025 10 5 EEBEHN Cc1c(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000262203672 463971777 /nfs/dbraw/zinc/97/17/77/463971777.db2.gz KSOSBRYDMRBPFI-JCKWVBRZSA-N 0 3 347.415 2.052 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN(C)C ZINC000195169975 464010260 /nfs/dbraw/zinc/01/02/60/464010260.db2.gz MJBCBABZUANHDI-UHFFFAOYSA-N 0 3 328.372 2.290 10 5 EEBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519190 464068226 /nfs/dbraw/zinc/06/82/26/464068226.db2.gz WXEKACBUOUHCSZ-CQSZACIVSA-N 0 3 348.447 2.046 10 5 EEBEHN COCCOC1(CNCc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000294782785 464604214 /nfs/dbraw/zinc/60/42/14/464604214.db2.gz LFRMTFZKNGYDDU-UHFFFAOYSA-N 0 3 338.404 2.205 10 5 EEBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCCN2CCO)c(Cl)c1 ZINC000449396996 467638462 /nfs/dbraw/zinc/63/84/62/467638462.db2.gz UANCROYGLSEQDE-CQSZACIVSA-N 0 3 327.812 2.185 10 5 EEBEHN C[C@@]1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000549326902 468181303 /nfs/dbraw/zinc/18/13/03/468181303.db2.gz GDUBOIFSIKWIMQ-KRWDZBQOSA-N 0 3 343.387 2.102 10 5 EEBEHN COc1ncncc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592368112 468684415 /nfs/dbraw/zinc/68/44/15/468684415.db2.gz OJWUKJKDUVROGV-UHFFFAOYSA-N 0 3 327.344 2.207 10 5 EEBEHN C[C@@]12COC[C@]1(C)CN([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595687859 468955904 /nfs/dbraw/zinc/95/59/04/468955904.db2.gz DMDSGYYUVUSIIB-NXHRZFHOSA-N 0 3 345.399 2.059 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H](CCF)C2)c1 ZINC000595754418 468990156 /nfs/dbraw/zinc/99/01/56/468990156.db2.gz BCYRXULMMBBCQO-ZFWWWQNUSA-N 0 3 326.368 2.406 10 5 EEBEHN CC[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)N(CC)CC ZINC000601782688 469023048 /nfs/dbraw/zinc/02/30/48/469023048.db2.gz ZVJUEPNKJRSGMB-RDJZCZTQSA-N 0 3 337.420 2.039 10 5 EEBEHN O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924062513 678389131 /nfs/dbraw/zinc/38/91/31/678389131.db2.gz WFCNMLOHLPPGDF-ZDUSSCGKSA-N 0 3 336.319 2.178 10 5 EEBEHN C[C@@H](N[C@@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076140 1198042648 /nfs/dbraw/zinc/04/26/48/1198042648.db2.gz YDNMOXLWTPEZFL-CHWSQXEVSA-N 0 3 325.384 2.231 10 5 EEBEHN CC(C)(O)C[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000872207151 1198087626 /nfs/dbraw/zinc/08/76/26/1198087626.db2.gz PBUZXBSAHIEWHW-LBPRGKRZSA-N 0 3 336.310 2.225 10 5 EEBEHN Cc1cc(C)nc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])c(C(C)C)n2)n1 ZINC000813114492 1201124935 /nfs/dbraw/zinc/12/49/35/1201124935.db2.gz CMJCMYHUYYXPHL-GFCCVEGCSA-N 0 3 347.375 2.225 10 5 EEBEHN CCOC(=O)c1ccnc(N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866112660 1201435857 /nfs/dbraw/zinc/43/58/57/1201435857.db2.gz HYSIDWBHYIZDPY-UHFFFAOYSA-N 0 3 336.392 2.087 10 5 EEBEHN Cc1cccc([C@H](O)CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000931468642 1207388422 /nfs/dbraw/zinc/38/84/22/1207388422.db2.gz AIENRWBIWWTWJO-QZTJIDSGSA-N 0 3 330.384 2.434 10 5 EEBEHN O=C(N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C12CCN(CC1)C2 ZINC000900838578 1234889731 /nfs/dbraw/zinc/88/97/31/1234889731.db2.gz PFRTXQQIMFJEOJ-CQSZACIVSA-N 0 3 333.413 2.265 10 5 EEBEHN CN(CCCN(C)C(=O)Cc1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001273496066 1278592705 /nfs/dbraw/zinc/59/27/05/1278592705.db2.gz SGHWBSLBJWQXAF-UHFFFAOYSA-N 0 3 346.387 2.106 10 5 EEBEHN CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCN(C)C1 ZINC000853847754 1292486059 /nfs/dbraw/zinc/48/60/59/1292486059.db2.gz BYZKQSMCNBNHCJ-CYBMUJFWSA-N 0 3 340.811 2.484 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1=COCCC1 ZINC001321002674 1332995505 /nfs/dbraw/zinc/99/55/05/1332995505.db2.gz XPYJAPWJHDJGKZ-OWOJBTEDSA-N 0 3 331.372 2.051 10 5 EEBEHN Cc1ccncc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001321015628 1332998983 /nfs/dbraw/zinc/99/89/83/1332998983.db2.gz VIGQTXNMQFXZOE-IHWYPQMZSA-N 0 3 340.383 2.374 10 5 EEBEHN CN1C[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652488492 1354092982 /nfs/dbraw/zinc/09/29/82/1354092982.db2.gz VRSMGQPVBALIGG-HNNXBMFYSA-N 0 3 332.404 2.239 10 5 EEBEHN CCOC(=O)c1ccnc(NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001655940987 1354190950 /nfs/dbraw/zinc/19/09/50/1354190950.db2.gz UKXOMIGXDMNJGJ-UHFFFAOYSA-N 0 3 336.392 2.310 10 5 EEBEHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000923295158 789326758 /nfs/dbraw/zinc/32/67/58/789326758.db2.gz VKSZGPOUQVENHX-WCQYABFASA-N 0 3 328.372 2.385 10 5 EEBEHN COC(=O)[C@]12CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000793347312 810297841 /nfs/dbraw/zinc/29/78/41/810297841.db2.gz SECBJTGIQDFBBC-CTQQLDRNSA-N 0 3 346.383 2.120 10 5 EEBEHN CNc1c(C(=O)OC[C@@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001520068352 1119124585 /nfs/dbraw/zinc/12/45/85/1119124585.db2.gz GIIYMYOQKAQMMF-ZDUSSCGKSA-N 0 3 349.387 2.047 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC000191610788 237263200 /nfs/dbraw/zinc/26/32/00/237263200.db2.gz HLRSEVYSHWAZPZ-ZDUSSCGKSA-N 0 3 345.403 2.062 10 5 EEBEHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273378258 256291379 /nfs/dbraw/zinc/29/13/79/256291379.db2.gz BRKZFGOATNHTAC-GDBMZVCRSA-N 0 3 349.431 2.266 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H](C)C1 ZINC000171694130 533223961 /nfs/dbraw/zinc/22/39/61/533223961.db2.gz TUZYDYHQCBUQKO-NSHDSACASA-N 0 3 339.417 2.369 10 5 EEBEHN COc1ccc(OCCN2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000173588149 152180231 /nfs/dbraw/zinc/18/02/31/152180231.db2.gz QQQFAJPOMDVUOE-UHFFFAOYSA-N 0 3 335.404 2.152 10 5 EEBEHN CC(C)C[C@H](CN(C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079757609 159135248 /nfs/dbraw/zinc/13/52/48/159135248.db2.gz CEUBGUWHVAAGCX-CQSZACIVSA-N 0 3 336.436 2.124 10 5 EEBEHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)cn1 ZINC000359089974 164055857 /nfs/dbraw/zinc/05/58/57/164055857.db2.gz COTLBOZJESUWGE-MRXNPFEDSA-N 0 3 328.372 2.169 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CCCN(C)C2)CC1 ZINC000368326420 166088619 /nfs/dbraw/zinc/08/86/19/166088619.db2.gz GEQIZPKDILSDIF-SFHVURJKSA-N 0 3 332.448 2.115 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cn[nH]c1 ZINC000275134452 269097080 /nfs/dbraw/zinc/09/70/80/269097080.db2.gz CITPVUXYGWIBIP-JTQLQIEISA-N 0 3 333.348 2.006 10 5 EEBEHN CCCN(CCN1CCCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000289164420 275101946 /nfs/dbraw/zinc/10/19/46/275101946.db2.gz QHWXJZCNHUHHAF-UHFFFAOYSA-N 0 3 337.424 2.057 10 5 EEBEHN COc1cc(N2CCC(OCCN(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000343853580 277825005 /nfs/dbraw/zinc/82/50/05/277825005.db2.gz OBAWYVYUVDTZPM-UHFFFAOYSA-N 0 3 341.383 2.290 10 5 EEBEHN COc1cc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1F ZINC000095411900 277826077 /nfs/dbraw/zinc/82/60/77/277826077.db2.gz SULYCDQOUSTEJE-UHFFFAOYSA-N 0 3 332.335 2.464 10 5 EEBEHN CCN1CCC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448918799 315399231 /nfs/dbraw/zinc/39/92/31/315399231.db2.gz VOVGNYXRPIQQJE-ZDUSSCGKSA-N 0 3 343.387 2.199 10 5 EEBEHN CS[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1N(C)C ZINC000564892773 319123744 /nfs/dbraw/zinc/12/37/44/319123744.db2.gz DOTBPTMJEVIBMR-CABCVRRESA-N 0 3 336.461 2.350 10 5 EEBEHN CNc1nccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230284 449256074 /nfs/dbraw/zinc/25/60/74/449256074.db2.gz QAYWDCUPIHCPDV-ZDUSSCGKSA-N 0 3 347.419 2.168 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000296028139 465055872 /nfs/dbraw/zinc/05/58/72/465055872.db2.gz ZNZRUGNRWBYLJY-DZGCQCFKSA-N 0 3 347.415 2.499 10 5 EEBEHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113444987 462596324 /nfs/dbraw/zinc/59/63/24/462596324.db2.gz ARBAHKDNGHCMQJ-GWCFXTLKSA-N 0 3 348.359 2.120 10 5 EEBEHN C[C@@H]1C[C@H](C)CN(CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)C1 ZINC000521395204 468309082 /nfs/dbraw/zinc/30/90/82/468309082.db2.gz ZNVFGGYZYGJSJI-BETUJISGSA-N 0 3 330.388 2.283 10 5 EEBEHN C[C@@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C(C)(C)CN(C)C ZINC000125488195 463549991 /nfs/dbraw/zinc/54/99/91/463549991.db2.gz ITZSSQBKHHOITL-LLVKDONJSA-N 0 3 343.449 2.387 10 5 EEBEHN COc1ccc(CN2CCNC[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000262243786 463981338 /nfs/dbraw/zinc/98/13/38/463981338.db2.gz PHDFDXXVJBQEMA-MRXNPFEDSA-N 0 3 328.372 2.145 10 5 EEBEHN COc1cc(N2C[C@H](SC)[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000271617092 464344162 /nfs/dbraw/zinc/34/41/62/464344162.db2.gz LDDQLPJUOQZABG-JSGCOSHPSA-N 0 3 329.397 2.224 10 5 EEBEHN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000594040169 468469181 /nfs/dbraw/zinc/46/91/81/468469181.db2.gz DWHRHFNREPSOIE-WBVHZDCISA-N 0 3 347.415 2.421 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000341063623 466554437 /nfs/dbraw/zinc/55/44/37/466554437.db2.gz RGYUXFRAAIKNQN-KBPBESRZSA-N 0 3 334.420 2.386 10 5 EEBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590443731 468258316 /nfs/dbraw/zinc/25/83/16/468258316.db2.gz GMIXLPDOCFSOMC-VYDXJSESSA-N 0 3 331.416 2.326 10 5 EEBEHN C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594502341 468610348 /nfs/dbraw/zinc/61/03/48/468610348.db2.gz ZJDPZBVYUNYCKZ-NEPJUHHUSA-N 0 3 344.458 2.242 10 5 EEBEHN O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000600795560 468660023 /nfs/dbraw/zinc/66/00/23/468660023.db2.gz ZDJLNNVZOAFNGK-SFHVURJKSA-N 0 3 328.368 2.458 10 5 EEBEHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601128851 468754296 /nfs/dbraw/zinc/75/42/96/468754296.db2.gz DZXLSNAGONFMHJ-CBAPKCEASA-N 0 3 333.314 2.242 10 5 EEBEHN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595257216 468794182 /nfs/dbraw/zinc/79/41/82/468794182.db2.gz IWTIVQKFYCQOPV-QGZVFWFLSA-N 0 3 341.367 2.437 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595383047 468833425 /nfs/dbraw/zinc/83/34/25/468833425.db2.gz YJQDELDKBILANN-UHFFFAOYSA-N 0 3 343.449 2.135 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595523170 468888012 /nfs/dbraw/zinc/88/80/12/468888012.db2.gz PHKWZZKSVKNYGT-CQSZACIVSA-N 0 3 334.420 2.309 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2ccccc2F)CC2CC2)c1 ZINC000595767389 468997077 /nfs/dbraw/zinc/99/70/77/468997077.db2.gz PWRUCURKGVYRER-MRXNPFEDSA-N 0 3 348.378 2.204 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N(C)[C@@H](CN)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595907300 469076928 /nfs/dbraw/zinc/07/69/28/469076928.db2.gz IEFJRWXTTMQNSB-CABZTGNLSA-N 0 3 348.325 2.052 10 5 EEBEHN Nc1c(F)c(N2CCC(N3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596269002 469227429 /nfs/dbraw/zinc/22/74/29/469227429.db2.gz QBTISOQLQJZNBS-UHFFFAOYSA-N 0 3 338.383 2.007 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCCN(C[C@@H]3CCCO3)CC2)n1 ZINC000611615714 469293577 /nfs/dbraw/zinc/29/35/77/469293577.db2.gz PQHBWBXYDCCDAN-HNNXBMFYSA-N 0 3 334.420 2.298 10 5 EEBEHN CN(C)CCn1cc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cn1 ZINC000611710246 469307626 /nfs/dbraw/zinc/30/76/26/469307626.db2.gz RDGJLAMBLDZHMY-UHFFFAOYSA-N 0 3 327.348 2.040 10 5 EEBEHN CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109711 1201121450 /nfs/dbraw/zinc/12/14/50/1201121450.db2.gz OACZVHPFNKKOHP-XJKSGUPXSA-N 0 3 348.399 2.194 10 5 EEBEHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(N)C(F)(F)F ZINC000826651634 1204663834 /nfs/dbraw/zinc/66/38/34/1204663834.db2.gz BKNVGRGLPLSECH-VIFPVBQESA-N 0 3 325.674 2.096 10 5 EEBEHN CC(C)[C@@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N(C)C ZINC001303528911 1331357676 /nfs/dbraw/zinc/35/76/76/1331357676.db2.gz SACLNHUYIPUDQN-INIZCTEOSA-N 0 3 347.419 2.106 10 5 EEBEHN Cc1cccc(C(=O)OC[C@@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC001349759854 1337645237 /nfs/dbraw/zinc/64/52/37/1337645237.db2.gz DMHVGNQJMWNUQK-AWEZNQCLSA-N 0 3 334.372 2.313 10 5 EEBEHN CCN1C[C@@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001639266447 1352696097 /nfs/dbraw/zinc/69/60/97/1352696097.db2.gz LQKMWZLIPICIAR-CQSZACIVSA-N 0 3 339.367 2.203 10 5 EEBEHN CN1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652488493 1354092651 /nfs/dbraw/zinc/09/26/51/1354092651.db2.gz VRSMGQPVBALIGG-OAHLLOKOSA-N 0 3 332.404 2.239 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000919803442 770298556 /nfs/dbraw/zinc/29/85/56/770298556.db2.gz SXENHAUZGXPCDN-BBRMVZONSA-N 0 3 334.420 2.309 10 5 EEBEHN COC(=O)c1cc(NC(=O)C2(N(C)C)CCCC2)cc([N+](=O)[O-])c1 ZINC001136960532 788355254 /nfs/dbraw/zinc/35/52/54/788355254.db2.gz YOHXKJHFXKMCDY-UHFFFAOYSA-N 0 3 335.360 2.194 10 5 EEBEHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1F ZINC001168496931 796310594 /nfs/dbraw/zinc/31/05/94/796310594.db2.gz KHDFMTJUVMONHM-BXKDBHETSA-N 0 3 342.758 2.296 10 5 EEBEHN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCOC1 ZINC001460791015 1110324191 /nfs/dbraw/zinc/32/41/91/1110324191.db2.gz SAWHRFJMLYNKDB-IAQYHMDHSA-N 0 3 334.376 2.002 10 5 EEBEHN C[C@H]1CC[C@](CO)(NCCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC001460952882 1110329793 /nfs/dbraw/zinc/32/97/93/1110329793.db2.gz WTYJSUFRVGHBIG-SUMWQHHRSA-N 0 3 330.388 2.166 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H]2CN(CC)CC2(C)C)cc1[N+](=O)[O-] ZINC001472055725 1110540536 /nfs/dbraw/zinc/54/05/36/1110540536.db2.gz CMEBTXKAWZNXHF-HNNXBMFYSA-N 0 3 335.404 2.454 10 5 EEBEHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CCN1C[C@@H](C)O ZINC000175099357 529402213 /nfs/dbraw/zinc/40/22/13/529402213.db2.gz PCXROMWRXLVZOD-UKRRQHHQSA-N 0 3 337.420 2.023 10 5 EEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000175027510 529406405 /nfs/dbraw/zinc/40/64/05/529406405.db2.gz FGOKRXFGNQTOAW-CHWSQXEVSA-N 0 3 348.359 2.202 10 5 EEBEHN C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1CCO ZINC000419008245 239397328 /nfs/dbraw/zinc/39/73/28/239397328.db2.gz VJODXKSTSVYDIZ-STQMWFEESA-N 0 3 330.388 2.034 10 5 EEBEHN O=[N+]([O-])c1ccc2sc(S(=O)(=O)C[C@@H]3CCCCN3)nc2c1 ZINC000095092209 218280018 /nfs/dbraw/zinc/28/00/18/218280018.db2.gz KRMHBCMXRKGISL-VIFPVBQESA-N 0 3 341.414 2.120 10 5 EEBEHN Cc1ccc(O)c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000093534300 159235852 /nfs/dbraw/zinc/23/58/52/159235852.db2.gz LWKKEPAJPMWMMV-GFCCVEGCSA-N 0 3 329.360 2.085 10 5 EEBEHN NC(=O)c1ccc(CN2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000360342299 164288061 /nfs/dbraw/zinc/28/80/61/164288061.db2.gz IXSCPCQAVXXZJE-CQSZACIVSA-N 0 3 340.383 2.153 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCN1C ZINC000122699648 222140447 /nfs/dbraw/zinc/14/04/47/222140447.db2.gz DJMHLGQOPBUXAC-VHSXEESVSA-N 0 3 327.331 2.428 10 5 EEBEHN C[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000277427363 269154367 /nfs/dbraw/zinc/15/43/67/269154367.db2.gz KKAUMAXZFJCYLV-KOLCDFICSA-N 0 3 327.768 2.201 10 5 EEBEHN O=[N+]([O-])c1cc(CN[C@H](C2CC2)C2(CO)CCOCC2)cs1 ZINC000293851429 293310632 /nfs/dbraw/zinc/31/06/32/293310632.db2.gz BOSBWTYSORSADW-CQSZACIVSA-N 0 3 326.418 2.314 10 5 EEBEHN O=C(NCc1ccccc1CN1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549157111 318430481 /nfs/dbraw/zinc/43/04/81/318430481.db2.gz VMNXUAHKHGENMR-UHFFFAOYSA-N 0 3 343.387 2.234 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177011227 464904950 /nfs/dbraw/zinc/90/49/50/464904950.db2.gz MLEUYCFKDQCWIE-GFCCVEGCSA-N 0 3 331.376 2.027 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000120835415 463044003 /nfs/dbraw/zinc/04/40/03/463044003.db2.gz VOZNRAXIKXPAOX-CYBMUJFWSA-N 0 3 336.392 2.006 10 5 EEBEHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802807 463467649 /nfs/dbraw/zinc/46/76/49/463467649.db2.gz KJKBAKPOEKGZMY-MRXNPFEDSA-N 0 3 327.388 2.486 10 5 EEBEHN COC(=O)c1cc(N2CCCN(C3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000177822117 463800205 /nfs/dbraw/zinc/80/02/05/463800205.db2.gz YYKLHTHRRQZJBS-UHFFFAOYSA-N 0 3 333.388 2.364 10 5 EEBEHN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](N2CCCC2)C1 ZINC000171454333 463867264 /nfs/dbraw/zinc/86/72/64/463867264.db2.gz HQDYVWMWEDRQIP-ZDUSSCGKSA-N 0 3 328.372 2.386 10 5 EEBEHN CN1CCN([C@H]2CCCCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174901110 464466112 /nfs/dbraw/zinc/46/61/12/464466112.db2.gz FTNMRQGPOPAGKA-KRWDZBQOSA-N 0 3 332.448 2.197 10 5 EEBEHN CO[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1C ZINC000189342945 464480667 /nfs/dbraw/zinc/48/06/67/464480667.db2.gz AZEVHRXOUPXKEJ-NHYWBVRUSA-N 0 3 339.367 2.419 10 5 EEBEHN COC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182409205 464648993 /nfs/dbraw/zinc/64/89/93/464648993.db2.gz HSFQDYGYMLGQQY-HZPDHXFCSA-N 0 3 346.383 2.312 10 5 EEBEHN Cc1cc(C)cc([C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000183479133 464869611 /nfs/dbraw/zinc/86/96/11/464869611.db2.gz DLOHQXLUIZFUEJ-QAPCUYQASA-N 0 3 344.415 2.259 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C2CC2)CC1 ZINC000299328039 465699426 /nfs/dbraw/zinc/69/94/26/465699426.db2.gz KLMAWTFBGSSXOU-UHFFFAOYSA-N 0 3 332.404 2.012 10 5 EEBEHN Cc1ccc([C@@H](C)NC(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000493031101 467824583 /nfs/dbraw/zinc/82/45/83/467824583.db2.gz ICAYUQJZPQNBMI-CYBMUJFWSA-N 0 3 343.387 2.192 10 5 EEBEHN CC[C@H](CN1CCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000589838553 468187747 /nfs/dbraw/zinc/18/77/47/468187747.db2.gz BDBDZPOVSOMPGP-LLVKDONJSA-N 0 3 341.358 2.406 10 5 EEBEHN CN1CCC(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000589952833 468198805 /nfs/dbraw/zinc/19/88/05/468198805.db2.gz JWCJMGUPGLWNML-UHFFFAOYSA-N 0 3 344.415 2.467 10 5 EEBEHN C[C@@H]1CCN(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000594309071 468548720 /nfs/dbraw/zinc/54/87/20/468548720.db2.gz FCRCIESTTTZRQF-CQSZACIVSA-N 0 3 347.415 2.306 10 5 EEBEHN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCC1 ZINC000600471290 468567097 /nfs/dbraw/zinc/56/70/97/468567097.db2.gz KGOWSCNQLMOJQZ-AWEZNQCLSA-N 0 3 332.404 2.140 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1 ZINC000592166858 468644584 /nfs/dbraw/zinc/64/45/84/468644584.db2.gz JZVNQFNNMKOEMK-QZTJIDSGSA-N 0 3 344.415 2.249 10 5 EEBEHN O=[N+]([O-])c1ccccc1CNCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000594974544 468736231 /nfs/dbraw/zinc/73/62/31/468736231.db2.gz LPEIJUXNOFXEAP-SFHVURJKSA-N 0 3 341.411 2.451 10 5 EEBEHN CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(CC)C1 ZINC000598040510 468746518 /nfs/dbraw/zinc/74/65/18/468746518.db2.gz GWQDFHLXVXXSEK-GFCCVEGCSA-N 0 3 331.376 2.027 10 5 EEBEHN COc1ccc(OCCN2CCCC[C@@H]2C2(O)CC2)c([N+](=O)[O-])c1 ZINC000571405311 468784214 /nfs/dbraw/zinc/78/42/14/468784214.db2.gz KEMKWJNXKDDVNV-MRXNPFEDSA-N 0 3 336.388 2.362 10 5 EEBEHN CCN1C[C@H](C)N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000593021165 468842538 /nfs/dbraw/zinc/84/25/38/468842538.db2.gz SJJFWJIXFXNSIZ-STQMWFEESA-N 0 3 335.404 2.296 10 5 EEBEHN CC[C@@H]1CN(CC)CCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593030164 468845680 /nfs/dbraw/zinc/84/56/80/468845680.db2.gz LTYBNCCEPNUEJA-OAHLLOKOSA-N 0 3 335.404 2.298 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CNc3ccccc3C1)OCCO2 ZINC000593314328 468935553 /nfs/dbraw/zinc/93/55/53/468935553.db2.gz CYIFLKKOBZNRHZ-CQSZACIVSA-N 0 3 341.367 2.492 10 5 EEBEHN COC(=O)c1ccnc(NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598624174 468937200 /nfs/dbraw/zinc/93/72/00/468937200.db2.gz FOBACTCNOFJKSD-UHFFFAOYSA-N 0 3 334.376 2.205 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H](CCF)C1 ZINC000595755018 468990888 /nfs/dbraw/zinc/99/08/88/468990888.db2.gz DZEBXTIFKOVLCB-ZIAGYGMSSA-N 0 3 326.368 2.406 10 5 EEBEHN Cc1ccc(NCCCNC(=O)C2(NC3CC3)CCC2)c([N+](=O)[O-])c1 ZINC000595937609 469091552 /nfs/dbraw/zinc/09/15/52/469091552.db2.gz ICLFDCDUCPTNSW-UHFFFAOYSA-N 0 3 346.431 2.496 10 5 EEBEHN COc1ccc(CN[C@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593694650 469098111 /nfs/dbraw/zinc/09/81/11/469098111.db2.gz PGSZDYBDAHTWCS-AWEZNQCLSA-N 0 3 343.383 2.469 10 5 EEBEHN COC(=O)c1c(Cl)c(NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000596183148 469190765 /nfs/dbraw/zinc/19/07/65/469190765.db2.gz JGOSUFLQVVUMFB-UHFFFAOYSA-N 0 3 345.783 2.025 10 5 EEBEHN CN(C)[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602173421 469225213 /nfs/dbraw/zinc/22/52/13/469225213.db2.gz PZJXDHMGAWQBGV-CVEARBPZSA-N 0 3 347.415 2.403 10 5 EEBEHN COc1cc(CN[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1[N+](=O)[O-] ZINC000599630053 469316543 /nfs/dbraw/zinc/31/65/43/469316543.db2.gz LYIPGCFGDRBYQA-DYVFJYSZSA-N 0 3 345.355 2.324 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000750728498 577741863 /nfs/dbraw/zinc/74/18/63/577741863.db2.gz QWDGCZIFFZLKKM-INIZCTEOSA-N 0 3 347.415 2.276 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176251202 677803696 /nfs/dbraw/zinc/80/36/96/677803696.db2.gz VHYISBLKXKTRCQ-LLVKDONJSA-N 0 3 341.795 2.089 10 5 EEBEHN COC1(CC(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001267366401 1178855892 /nfs/dbraw/zinc/85/58/92/1178855892.db2.gz FXZSJJFUWDSWIC-UHFFFAOYSA-N 0 3 335.404 2.102 10 5 EEBEHN Cc1ccncc1CC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001481241111 1180408733 /nfs/dbraw/zinc/40/87/33/1180408733.db2.gz LGTDMVSDZDPFRO-UHFFFAOYSA-N 0 3 342.399 2.089 10 5 EEBEHN Cc1ccc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001482984797 1187939483 /nfs/dbraw/zinc/93/94/83/1187939483.db2.gz VBYOVGORBCLWGY-IHWYPQMZSA-N 0 3 340.383 2.374 10 5 EEBEHN COc1cc(C(=O)N2CCN(C)C(C)(C)CC2)cc([N+](=O)[O-])c1C ZINC000871157177 1201077196 /nfs/dbraw/zinc/07/71/96/1201077196.db2.gz VPAUZJGJYFJXDP-UHFFFAOYSA-N 0 3 335.404 2.468 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C ZINC000928448919 1206385966 /nfs/dbraw/zinc/38/59/66/1206385966.db2.gz DRYRDJVPGDBPRB-XJKSGUPXSA-N 0 3 346.431 2.408 10 5 EEBEHN O=C(CCN[C@H]1CCCn2nccc21)Nc1ccccc1[N+](=O)[O-] ZINC001197239348 1284515199 /nfs/dbraw/zinc/51/51/99/1284515199.db2.gz NPNDXCWCDNFKDZ-LBPRGKRZSA-N 0 3 329.360 2.245 10 5 EEBEHN CC(COC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000797282433 1304696584 /nfs/dbraw/zinc/69/65/84/1304696584.db2.gz UBROVGNGNXWAOO-RYUDHWBXSA-N 0 3 330.381 2.375 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC001150119505 1316165490 /nfs/dbraw/zinc/16/54/90/1316165490.db2.gz DVVHMQQUXLMVET-YPMHNXCESA-N 0 3 333.388 2.206 10 5 EEBEHN Cc1cc(C(=O)OC[C@@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC001263620398 1322496059 /nfs/dbraw/zinc/49/60/59/1322496059.db2.gz SYVPHFRFVWGPLU-HNNXBMFYSA-N 0 3 334.372 2.313 10 5 EEBEHN O=C(NC1(CNCc2csc([N+](=O)[O-])c2)CCCC1)C(F)F ZINC001318615317 1332568557 /nfs/dbraw/zinc/56/85/57/1332568557.db2.gz XJDDOKUOGUKPKG-UHFFFAOYSA-N 0 3 333.360 2.440 10 5 EEBEHN C[C@]1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC001640233553 1352707657 /nfs/dbraw/zinc/70/76/57/1352707657.db2.gz DIKYYHKHURBOLX-HNNXBMFYSA-N 0 3 338.795 2.045 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CCn4ccnc43)CC2)cc1 ZINC000824527444 788202531 /nfs/dbraw/zinc/20/25/31/788202531.db2.gz WCFJQMHJUYHIJZ-MRXNPFEDSA-N 0 3 327.388 2.495 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000913934006 794609281 /nfs/dbraw/zinc/60/92/81/794609281.db2.gz YSLWOPACLHOFFB-HNNXBMFYSA-N 0 3 340.401 2.098 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CN(C2CCOCC2)C1 ZINC000823384003 798726109 /nfs/dbraw/zinc/72/61/09/798726109.db2.gz JMJDHVOFABAJJR-UHFFFAOYSA-N 0 3 349.387 2.043 10 5 EEBEHN Cc1c(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001566488094 1125649377 /nfs/dbraw/zinc/64/93/77/1125649377.db2.gz HFGWLCILRSTKKN-UHFFFAOYSA-N 0 3 344.415 2.494 10 5 EEBEHN O=C(CC(F)(F)F)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001568824271 1124842626 /nfs/dbraw/zinc/84/26/26/1124842626.db2.gz XZVVRJKXQCKRTK-OWOJBTEDSA-N 0 3 331.294 2.309 10 5 EEBEHN CN[C@](C)(CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440744 214056605 /nfs/dbraw/zinc/05/66/05/214056605.db2.gz VPHYMDFMGUUPPT-GFCCVEGCSA-N 0 3 336.175 2.134 10 5 EEBEHN COC(=O)c1cnc(NCCN2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357684250 153287015 /nfs/dbraw/zinc/28/70/15/153287015.db2.gz OYPUECDDECDNTN-RYUDHWBXSA-N 0 3 336.392 2.451 10 5 EEBEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000246245824 160269938 /nfs/dbraw/zinc/26/99/38/160269938.db2.gz JJTXGZNCAIYPSP-IINYFYTJSA-N 0 3 339.342 2.429 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344765526 161244265 /nfs/dbraw/zinc/24/42/65/161244265.db2.gz CKXXAELRZNJNGB-GFCCVEGCSA-N 0 3 332.404 2.245 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352430799 162133391 /nfs/dbraw/zinc/13/33/91/162133391.db2.gz IWZRVRZDOGLFBX-RYUDHWBXSA-N 0 3 349.387 2.316 10 5 EEBEHN O=C(NCCN1CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359035130 164042169 /nfs/dbraw/zinc/04/21/69/164042169.db2.gz AYJAKPPPGDAHDS-UHFFFAOYSA-N 0 3 343.330 2.412 10 5 EEBEHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360877487 164395508 /nfs/dbraw/zinc/39/55/08/164395508.db2.gz PVTZIBJZSASGKK-NSHDSACASA-N 0 3 347.462 2.151 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](N3CCCC3)C[C@H]2C)c1 ZINC000343636784 274004795 /nfs/dbraw/zinc/00/47/95/274004795.db2.gz UVALLLUVERHRTG-TZMCWYRMSA-N 0 3 333.388 2.444 10 5 EEBEHN CC(C)c1n[nH]c(C(=O)NCc2ccc3cncn3c2)c1[N+](=O)[O-] ZINC000297295966 294204693 /nfs/dbraw/zinc/20/46/93/294204693.db2.gz RARKPQRENLNQNJ-UHFFFAOYSA-N 0 3 328.332 2.019 10 5 EEBEHN Cc1cc(N2CC[C@@H](OCCN3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301744447 294889764 /nfs/dbraw/zinc/88/97/64/294889764.db2.gz NFEQLXRULKAUMN-OAHLLOKOSA-N 0 3 334.420 2.379 10 5 EEBEHN Cc1cc(NC[C@H]2CCN(C)C(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425268244 314369096 /nfs/dbraw/zinc/36/90/96/314369096.db2.gz ONIMMIIKRRUDLV-LBPRGKRZSA-N 0 3 328.372 2.154 10 5 EEBEHN COc1cc(CN2CC[C@H](Cc3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000539808573 318063746 /nfs/dbraw/zinc/06/37/46/318063746.db2.gz FFFWNFGRPILHRS-CQSZACIVSA-N 0 3 330.388 2.402 10 5 EEBEHN CC[C@@H]1C[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000540952845 318087286 /nfs/dbraw/zinc/08/72/86/318087286.db2.gz WYSPIVJPVYLOGW-GDBMZVCRSA-N 0 3 334.420 2.317 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000054462389 463236950 /nfs/dbraw/zinc/23/69/50/463236950.db2.gz PLNURIQGEBBJRZ-OAHLLOKOSA-N 0 3 342.399 2.201 10 5 EEBEHN CCn1cnnc1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000105928617 463498565 /nfs/dbraw/zinc/49/85/65/463498565.db2.gz GGVBWJKQUDVJMP-UHFFFAOYSA-N 0 3 345.403 2.465 10 5 EEBEHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000125411996 463541649 /nfs/dbraw/zinc/54/16/49/463541649.db2.gz VGKIFMLGYZFNDL-CYBMUJFWSA-N 0 3 347.375 2.177 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000170864142 463726958 /nfs/dbraw/zinc/72/69/58/463726958.db2.gz PUEQGMHPHAHGRU-CYBMUJFWSA-N 0 3 346.412 2.494 10 5 EEBEHN C[C@H](NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262119603 463952852 /nfs/dbraw/zinc/95/28/52/463952852.db2.gz BTFILWGKWXXMJP-FGVQXAILSA-N 0 3 347.415 2.305 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000179875274 464202308 /nfs/dbraw/zinc/20/23/08/464202308.db2.gz AQCWVTZBGXHGKA-HNNXBMFYSA-N 0 3 349.431 2.097 10 5 EEBEHN CC1(C)OCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295246590 464760464 /nfs/dbraw/zinc/76/04/64/464760464.db2.gz PXUWWZIJYXOKKL-LBPRGKRZSA-N 0 3 327.768 2.344 10 5 EEBEHN C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000266945245 464881535 /nfs/dbraw/zinc/88/15/35/464881535.db2.gz RELPHBHUSZRXDM-DQYPLSBCSA-N 0 3 348.378 2.374 10 5 EEBEHN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCN(C2CC2)C1 ZINC000348197614 465484453 /nfs/dbraw/zinc/48/44/53/465484453.db2.gz LLJKRSZCJIJGFI-OAHLLOKOSA-N 0 3 343.387 2.313 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3CCOCC3)C[C@@H]2C)n1 ZINC000362685376 465937883 /nfs/dbraw/zinc/93/78/83/465937883.db2.gz RZCLARIVQXYHOZ-AWEZNQCLSA-N 0 3 334.420 2.296 10 5 EEBEHN CCN1CCC(N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331153896 465958349 /nfs/dbraw/zinc/95/83/49/465958349.db2.gz VDGRMTGDFZVACP-UHFFFAOYSA-N 0 3 341.358 2.358 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000340301218 465970232 /nfs/dbraw/zinc/97/02/32/465970232.db2.gz JUWJPRVCIARNJK-UKRRQHHQSA-N 0 3 334.420 2.261 10 5 EEBEHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000301850964 466045622 /nfs/dbraw/zinc/04/56/22/466045622.db2.gz PESWGUDFVSECKT-MRXNPFEDSA-N 0 3 334.420 2.379 10 5 EEBEHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CCCC2)C1 ZINC000555504511 468478626 /nfs/dbraw/zinc/47/86/26/468478626.db2.gz GPNIYKODOUORRG-LLVKDONJSA-N 0 3 339.342 2.112 10 5 EEBEHN CC1=CCN(CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000358062975 466424115 /nfs/dbraw/zinc/42/41/15/466424115.db2.gz IMACKQZAWIDZDU-UHFFFAOYSA-N 0 3 333.388 2.132 10 5 EEBEHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](N)c1ccccc1 ZINC000418420535 467107334 /nfs/dbraw/zinc/10/73/34/467107334.db2.gz BEQIOQUNLNAEFB-MRXNPFEDSA-N 0 3 342.399 2.479 10 5 EEBEHN CN1CCN(CCCCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000516902716 468053787 /nfs/dbraw/zinc/05/37/87/468053787.db2.gz JCPLLUNPFJZRMH-UHFFFAOYSA-N 0 3 343.431 2.004 10 5 EEBEHN CC(C)(C)N1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597920357 468711859 /nfs/dbraw/zinc/71/18/59/468711859.db2.gz ANWYMAFDMXBGDR-JTQLQIEISA-N 0 3 341.358 2.405 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CCN(C2CC2)CC1 ZINC000601101868 468741320 /nfs/dbraw/zinc/74/13/20/468741320.db2.gz WKZDUCQVONYUFR-UHFFFAOYSA-N 0 3 333.314 2.386 10 5 EEBEHN C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CN1C1CC1 ZINC000601127652 468752657 /nfs/dbraw/zinc/75/26/57/468752657.db2.gz MLQAHIHCABZGAU-JGVFFNPUSA-N 0 3 333.314 2.384 10 5 EEBEHN CCc1ccc(C(=O)N2CCOC3(CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898669 468819040 /nfs/dbraw/zinc/81/90/40/468819040.db2.gz MBAOQTZVDAZZAO-UHFFFAOYSA-N 0 3 347.415 2.094 10 5 EEBEHN C[C@H](O)[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596068556 469138368 /nfs/dbraw/zinc/13/83/68/469138368.db2.gz YYSKEVNRORURJF-OWQGQXMQSA-N 0 3 346.383 2.046 10 5 EEBEHN CO[C@@H](CNc1cc(C)nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000596319118 469242372 /nfs/dbraw/zinc/24/23/72/469242372.db2.gz UDQXLNHWYLBOPW-PXAZEXFGSA-N 0 3 331.372 2.337 10 5 EEBEHN Cc1c(CNCCN2C[C@@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000895344649 684521598 /nfs/dbraw/zinc/52/15/98/684521598.db2.gz NHNYYYMFTCFTKC-HNNXBMFYSA-N 0 3 332.404 2.283 10 5 EEBEHN CCc1ncoc1C(=O)N(CC)CCNCc1cccc([N+](=O)[O-])c1 ZINC001268478494 1182909343 /nfs/dbraw/zinc/90/93/43/1182909343.db2.gz QRNDNPJEQGVKQH-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN C[C@H](O)[C@H](O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000865740108 1198354427 /nfs/dbraw/zinc/35/44/27/1198354427.db2.gz BLDVYCFSDDBSBO-SCLBCKFNSA-N 0 3 345.399 2.194 10 5 EEBEHN CC(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)[N+](=O)[O-] ZINC000813111809 1201123136 /nfs/dbraw/zinc/12/31/36/1201123136.db2.gz ADTMANYKTFXGLP-QMMMGPOBSA-N 0 3 331.250 2.264 10 5 EEBEHN CC(COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813113794 1201124548 /nfs/dbraw/zinc/12/45/48/1201124548.db2.gz JBLCNCXHCNNNEU-NSHDSACASA-N 0 3 337.328 2.019 10 5 EEBEHN CO[C@H]1CN(C)[C@@](C)(COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000861347887 1295351391 /nfs/dbraw/zinc/35/13/91/1295351391.db2.gz BAHFUTKTJGIHRI-NVXWUHKLSA-N 0 3 336.388 2.180 10 5 EEBEHN CCN(CCCNC(=O)c1cnc(C)[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266028167 1323578501 /nfs/dbraw/zinc/57/85/01/1323578501.db2.gz KJVRMNDCHTZEPL-UHFFFAOYSA-N 0 3 345.403 2.268 10 5 EEBEHN CC(F)(F)CC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001321235391 1333051437 /nfs/dbraw/zinc/05/14/37/1333051437.db2.gz HJGGTDXLZGVFRP-NSCUHMNNSA-N 0 3 327.331 2.402 10 5 EEBEHN CN(c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001639590572 1352699628 /nfs/dbraw/zinc/69/96/28/1352699628.db2.gz RMOBPFOHNKBPDQ-HNNXBMFYSA-N 0 3 329.404 2.429 10 5 EEBEHN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C1CCCC1 ZINC001651769195 1354064588 /nfs/dbraw/zinc/06/45/88/1354064588.db2.gz FKHFFVBLGCPROM-CQSZACIVSA-N 0 3 347.415 2.449 10 5 EEBEHN CC(=O)N1CCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001652352711 1354089563 /nfs/dbraw/zinc/08/95/63/1354089563.db2.gz SSMTYJCKQSMYLL-GFCCVEGCSA-N 0 3 332.360 2.084 10 5 EEBEHN O=C(CCN1CC[C@H](c2ncccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654914899 1354161414 /nfs/dbraw/zinc/16/14/14/1354161414.db2.gz DBTBWWQGWHEQQB-ZDUSSCGKSA-N 0 3 341.371 2.203 10 5 EEBEHN CC(C)N(CCCNC(=O)c1cn[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001664489204 1355175090 /nfs/dbraw/zinc/17/50/90/1355175090.db2.gz PFDCEKDQMLQCQQ-UHFFFAOYSA-N 0 3 345.403 2.348 10 5 EEBEHN CN(CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)CC(C)(C)C ZINC001136253478 785661726 /nfs/dbraw/zinc/66/17/26/785661726.db2.gz JDKYYSUIPNKQRO-UHFFFAOYSA-N 0 3 348.447 2.221 10 5 EEBEHN CC[C@H](N[C@@H](C)C(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537121 529648929 /nfs/dbraw/zinc/64/89/29/529648929.db2.gz HPADXRZUOHXETO-YOEHRIQHSA-N 0 3 348.447 2.188 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181884038 530063806 /nfs/dbraw/zinc/06/38/06/530063806.db2.gz KPSWUJUPOIXQSZ-JTQLQIEISA-N 0 3 329.303 2.020 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264923996 247050157 /nfs/dbraw/zinc/05/01/57/247050157.db2.gz QLEJECLNTJMWEN-AWEZNQCLSA-N 0 3 332.404 2.019 10 5 EEBEHN CCN(CC)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270726097 256165111 /nfs/dbraw/zinc/16/51/11/256165111.db2.gz BBXACLYXGUUYEE-CQSZACIVSA-N 0 3 345.403 2.141 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(C2CC2)CC1 ZINC000172542436 152092390 /nfs/dbraw/zinc/09/23/90/152092390.db2.gz SUHGJDHYWRZZKY-UHFFFAOYSA-N 0 3 332.404 2.012 10 5 EEBEHN C[C@H](NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262119609 160440037 /nfs/dbraw/zinc/44/00/37/160440037.db2.gz BTFILWGKWXXMJP-ZJQCNOOHSA-N 0 3 347.415 2.305 10 5 EEBEHN C[C@H]1CN(C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000193429893 160180947 /nfs/dbraw/zinc/18/09/47/160180947.db2.gz VMJQLIOMMCGGMM-ZDUSSCGKSA-N 0 3 337.395 2.419 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245468328 160237507 /nfs/dbraw/zinc/23/75/07/160237507.db2.gz KOYSAFBCYYQKTM-CZUORRHYSA-N 0 3 334.420 2.338 10 5 EEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000246873903 160299090 /nfs/dbraw/zinc/29/90/90/160299090.db2.gz FGOKRXFGNQTOAW-STQMWFEESA-N 0 3 348.359 2.202 10 5 EEBEHN CO[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1C ZINC000342740212 161087120 /nfs/dbraw/zinc/08/71/20/161087120.db2.gz RATONQXXTRGACD-WBMJQRKESA-N 0 3 349.387 2.250 10 5 EEBEHN O=[N+]([O-])c1ccc2sc([S@](=O)C[C@@H]3CCCCN3)nc2c1 ZINC000095092229 275039196 /nfs/dbraw/zinc/03/91/96/275039196.db2.gz MQAMDBRSOMYOLB-FPVGNUTFSA-N 0 3 325.415 2.454 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000171024081 311399782 /nfs/dbraw/zinc/39/97/82/311399782.db2.gz TXUAVAQXWIIMTA-HNNXBMFYSA-N 0 3 342.399 2.201 10 5 EEBEHN Cc1cc(N[C@@H](CC(C)C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000537824970 318028595 /nfs/dbraw/zinc/02/85/95/318028595.db2.gz GDTLWNFEJKFXHC-HNNXBMFYSA-N 0 3 336.436 2.408 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CNCC1(CF)CCOCC1)OCCO2 ZINC000590658515 468296207 /nfs/dbraw/zinc/29/62/07/468296207.db2.gz LYDUSWHBFBZYRD-UHFFFAOYSA-N 0 3 340.351 2.222 10 5 EEBEHN C[C@@H]1C[C@@H](C)CN(CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)C1 ZINC000521395205 468309792 /nfs/dbraw/zinc/30/97/92/468309792.db2.gz ZNVFGGYZYGJSJI-CHWSQXEVSA-N 0 3 330.388 2.283 10 5 EEBEHN CC(C)N(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000077356864 462973014 /nfs/dbraw/zinc/97/30/14/462973014.db2.gz HVSADKGAZIFLEP-UHFFFAOYSA-N 0 3 347.415 2.373 10 5 EEBEHN CCn1cnnc1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105928641 463499367 /nfs/dbraw/zinc/49/93/67/463499367.db2.gz ZMKBUJWARBISTG-UHFFFAOYSA-N 0 3 345.403 2.465 10 5 EEBEHN CCOC(=O)c1ccnc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000172765309 464140767 /nfs/dbraw/zinc/14/07/67/464140767.db2.gz IEWBZBMXSRQKLG-VXGBXAGGSA-N 0 3 336.392 2.085 10 5 EEBEHN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000366204253 465592137 /nfs/dbraw/zinc/59/21/37/465592137.db2.gz URTMZNNEUQASAK-OAHLLOKOSA-N 0 3 340.383 2.384 10 5 EEBEHN Cc1sc(C(=O)N2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000330721450 465778095 /nfs/dbraw/zinc/77/80/95/465778095.db2.gz CCYVIWIKVUILJF-UHFFFAOYSA-N 0 3 341.433 2.148 10 5 EEBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000363419517 466392815 /nfs/dbraw/zinc/39/28/15/466392815.db2.gz VXNHTYDRCAJZQB-CRAIPNDOSA-N 0 3 332.448 2.368 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000341056373 466546954 /nfs/dbraw/zinc/54/69/54/466546954.db2.gz JDDKMVNQJVICPI-OKILXGFUSA-N 0 3 335.404 2.353 10 5 EEBEHN C[C@H]1CCN(Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000373393481 466789909 /nfs/dbraw/zinc/78/99/09/466789909.db2.gz PCIWVOJPNMQZLA-AWEZNQCLSA-N 0 3 327.388 2.486 10 5 EEBEHN COc1ccc(NC(=O)CCN2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])c1 ZINC000411826660 466911700 /nfs/dbraw/zinc/91/17/00/466911700.db2.gz XNNFVRGERPUHHW-JQWIXIFHSA-N 0 3 337.401 2.122 10 5 EEBEHN CN1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000370583086 466930648 /nfs/dbraw/zinc/93/06/48/466930648.db2.gz MGHAWVYWXFKEMN-UHFFFAOYSA-N 0 3 344.371 2.319 10 5 EEBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1COCCOC1 ZINC000589949767 468198409 /nfs/dbraw/zinc/19/84/09/468198409.db2.gz NMXKYXHKMDYGJJ-GFCCVEGCSA-N 0 3 326.418 2.471 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442054 468257588 /nfs/dbraw/zinc/25/75/88/468257588.db2.gz GBRBUWZZNYUOCI-TVQRCGJNSA-N 0 3 343.305 2.390 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592567740 468730879 /nfs/dbraw/zinc/73/08/79/468730879.db2.gz XQVRNJXUSFAYHK-KRWDZBQOSA-N 0 3 325.368 2.222 10 5 EEBEHN O=C(C[C@@H]1NCc2ccccc21)NCCNc1ccccc1[N+](=O)[O-] ZINC000595248372 468792536 /nfs/dbraw/zinc/79/25/36/468792536.db2.gz FADKSSYITSWYDW-INIZCTEOSA-N 0 3 340.383 2.358 10 5 EEBEHN COc1ccc(CNC[C@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000572092275 468882750 /nfs/dbraw/zinc/88/27/50/468882750.db2.gz CPNAIWHZRJZBCH-OAHLLOKOSA-N 0 3 334.347 2.436 10 5 EEBEHN COc1cc(CN(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000601620125 468939904 /nfs/dbraw/zinc/93/99/04/468939904.db2.gz GZSNRVDBSPAFID-UHFFFAOYSA-N 0 3 330.344 2.312 10 5 EEBEHN CC(C)Oc1nc(N2CCc3nccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000598941497 469058030 /nfs/dbraw/zinc/05/80/30/469058030.db2.gz FFLUSWUNUHBLEF-UHFFFAOYSA-N 0 3 329.360 2.317 10 5 EEBEHN CN1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000596137622 469172078 /nfs/dbraw/zinc/17/20/78/469172078.db2.gz AFWCXOVMYTXRHG-UHFFFAOYSA-N 0 3 349.435 2.058 10 5 EEBEHN COC1CCN(CCNC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752529968 577772236 /nfs/dbraw/zinc/77/22/36/577772236.db2.gz UKVPOUUVSCQJQP-YPKPFQOOSA-N 0 3 347.415 2.225 10 5 EEBEHN Cc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)ccn1 ZINC001267443380 1179019007 /nfs/dbraw/zinc/01/90/07/1179019007.db2.gz CHRPLPWDJCQADY-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN CC(C)(C)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001271079810 1185864670 /nfs/dbraw/zinc/86/46/70/1185864670.db2.gz ONSMZWHTKZQSSQ-UHFFFAOYSA-N 0 3 349.431 2.396 10 5 EEBEHN CC(C)[C@@](C)(CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810075311 1199239525 /nfs/dbraw/zinc/23/95/25/1199239525.db2.gz JYCWQLITXFYHMS-CQSZACIVSA-N 0 3 329.784 2.183 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000869779589 1200273207 /nfs/dbraw/zinc/27/32/07/1200273207.db2.gz ZOMHMHQDXHJFFO-AWEZNQCLSA-N 0 3 349.431 2.095 10 5 EEBEHN CC(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000866218565 1201468224 /nfs/dbraw/zinc/46/82/24/1201468224.db2.gz RXZVZILDBFDEOH-MRXNPFEDSA-N 0 3 332.404 2.256 10 5 EEBEHN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCN1C ZINC000866218820 1201468321 /nfs/dbraw/zinc/46/83/21/1201468321.db2.gz YWUMEQKVXWGIRG-MRXNPFEDSA-N 0 3 348.403 2.328 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000928453412 1206387101 /nfs/dbraw/zinc/38/71/01/1206387101.db2.gz KLDMIHINCXLTCS-UKRRQHHQSA-N 0 3 346.431 2.020 10 5 EEBEHN COc1ccc(CNCC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850348419 1277191973 /nfs/dbraw/zinc/19/19/73/1277191973.db2.gz LOZBVDZNDYMVSQ-QFIPXVFZSA-N 0 3 340.323 2.004 10 5 EEBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000859955515 1294725154 /nfs/dbraw/zinc/72/51/54/1294725154.db2.gz VAJLYLABEYUNRR-YVSFHVDLSA-N 0 3 348.399 2.292 10 5 EEBEHN COCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001265549324 1323214960 /nfs/dbraw/zinc/21/49/60/1323214960.db2.gz HFHGCWLOOBANBA-OKILXGFUSA-N 0 3 335.404 2.004 10 5 EEBEHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1N(C)C ZINC001295851136 1329849106 /nfs/dbraw/zinc/84/91/06/1329849106.db2.gz CPTFATXJFIYZEN-ZIAGYGMSSA-N 0 3 341.408 2.160 10 5 EEBEHN CN1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001597306742 1349922298 /nfs/dbraw/zinc/92/22/98/1349922298.db2.gz STVUXTIBRNZUSJ-INIZCTEOSA-N 0 3 346.431 2.265 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(NCC2(N3CCSCC3)CCCCC2)n1 ZINC001655132079 1354165455 /nfs/dbraw/zinc/16/54/55/1354165455.db2.gz MSHFQKIULGPWAH-UHFFFAOYSA-N 0 3 339.465 2.492 10 5 EEBEHN Cn1cc([C@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC001655855279 1354187765 /nfs/dbraw/zinc/18/77/65/1354187765.db2.gz DUVUUGOPQIMKGV-AWEZNQCLSA-N 0 3 345.403 2.372 10 5 EEBEHN Cc1ncsc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001663829406 1355039892 /nfs/dbraw/zinc/03/98/92/1355039892.db2.gz DWPNOPZIELJCNH-UHFFFAOYSA-N 0 3 334.401 2.222 10 5 EEBEHN CCc1[nH]ccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001663910731 1355052396 /nfs/dbraw/zinc/05/23/96/1355052396.db2.gz AQVCKKQBMBDIQB-UHFFFAOYSA-N 0 3 330.388 2.347 10 5 EEBEHN C/C(=C/C(=O)Nc1ccnn1CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000818944037 785336216 /nfs/dbraw/zinc/33/62/16/785336216.db2.gz KIHSCETXQXJNRZ-SEYXRHQNSA-N 0 3 343.387 2.395 10 5 EEBEHN CN1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC001178707849 799598486 /nfs/dbraw/zinc/59/84/86/799598486.db2.gz ANSVGCRSSWMEEW-HNNXBMFYSA-N 0 3 330.388 2.006 10 5 EEBEHN COCCC(=O)N1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001506948768 1114997192 /nfs/dbraw/zinc/99/71/92/1114997192.db2.gz FRCSDESWPGWBLI-UHFFFAOYSA-N 0 3 335.404 2.054 10 5 EEBEHN C[C@@H]1CNC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000069133134 215362412 /nfs/dbraw/zinc/36/24/12/215362412.db2.gz ZUWXOEOZTRAFPB-RKDXNWHRSA-N 0 3 342.193 2.180 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN(Cc2ccco2)C2CCCC2)c1 ZINC000266561581 248360674 /nfs/dbraw/zinc/36/06/74/248360674.db2.gz XYRJDFVNFKKZSO-HNNXBMFYSA-N 0 3 334.376 2.190 10 5 EEBEHN COC(=O)c1cc(C)nc(N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376260456 291999217 /nfs/dbraw/zinc/99/92/17/291999217.db2.gz OFSWXZGGFQOPCL-CHWSQXEVSA-N 0 3 348.403 2.148 10 5 EEBEHN O=C(NCCCNCc1cccnc1)Nc1cccc([N+](=O)[O-])c1 ZINC000325021326 160541528 /nfs/dbraw/zinc/54/15/28/160541528.db2.gz FWPSNPOUMWXWBB-UHFFFAOYSA-N 0 3 329.360 2.291 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000246440527 160279315 /nfs/dbraw/zinc/27/93/15/160279315.db2.gz NIDPFCSSFCSQJX-AAEUAGOBSA-N 0 3 334.376 2.304 10 5 EEBEHN O=C(CCN[C@@H](CO)c1ccsc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352020356 162031320 /nfs/dbraw/zinc/03/13/20/162031320.db2.gz HPZGGEYLBGQPOB-AWEZNQCLSA-N 0 3 335.385 2.308 10 5 EEBEHN C[C@@H]1CN2CCC[C@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000247126993 297101502 /nfs/dbraw/zinc/10/15/02/297101502.db2.gz JGBBYEADUVPEGH-YPMHNXCESA-N 0 3 330.388 2.152 10 5 EEBEHN CO[C@H]1CCCC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000441256524 315176734 /nfs/dbraw/zinc/17/67/34/315176734.db2.gz ASCSEXNIJHDFKI-JYJNAYRXSA-N 0 3 333.388 2.247 10 5 EEBEHN COc1cnccc1N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000358312080 465052490 /nfs/dbraw/zinc/05/24/90/465052490.db2.gz QNHMDALLWAIJLI-UHFFFAOYSA-N 0 3 348.384 2.022 10 5 EEBEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119624300 462916853 /nfs/dbraw/zinc/91/68/53/462916853.db2.gz YLQRBJWTVSXIAY-LBPRGKRZSA-N 0 3 343.449 2.220 10 5 EEBEHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000491270837 468338269 /nfs/dbraw/zinc/33/82/69/468338269.db2.gz KFQBEMYAWVLGHF-GOSISDBHSA-N 0 3 342.399 2.063 10 5 EEBEHN CCNC(=O)C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000284770827 464333211 /nfs/dbraw/zinc/33/32/11/464333211.db2.gz MPMFKERZRHURPR-AWEZNQCLSA-N 0 3 335.404 2.354 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000175044100 464485692 /nfs/dbraw/zinc/48/56/92/464485692.db2.gz LZBFYVWMLZPBOD-KGLIPLIRSA-N 0 3 332.404 2.386 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266350118 464772444 /nfs/dbraw/zinc/77/24/44/464772444.db2.gz WXBDNPSUHAYINM-JTQLQIEISA-N 0 3 331.294 2.438 10 5 EEBEHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CN2CCC1CC2 ZINC000342922982 465391662 /nfs/dbraw/zinc/39/16/62/465391662.db2.gz ZLBOVHHHKOHQGV-OAHLLOKOSA-N 0 3 328.372 2.242 10 5 EEBEHN CNC(=O)C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000361642583 466172371 /nfs/dbraw/zinc/17/23/71/466172371.db2.gz JOHGZEKAZJTJDL-OAHLLOKOSA-N 0 3 343.383 2.441 10 5 EEBEHN O=C(CCN1CCC[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411314303 466804957 /nfs/dbraw/zinc/80/49/57/466804957.db2.gz DQDZBEOVWSHLLP-XJKSGUPXSA-N 0 3 333.388 2.424 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2C[C@H]1CS2 ZINC000411818190 466909222 /nfs/dbraw/zinc/90/92/22/466909222.db2.gz LAFQAECOAKEXHH-RYUDHWBXSA-N 0 3 337.401 2.122 10 5 EEBEHN C[NH2+]Cc1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000404620435 467476273 /nfs/dbraw/zinc/47/62/73/467476273.db2.gz XCDRUXCBFPDFST-UHFFFAOYSA-N 0 3 349.412 2.101 10 5 EEBEHN CC[C@@H](CN1CCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000589838555 468187820 /nfs/dbraw/zinc/18/78/20/468187820.db2.gz BDBDZPOVSOMPGP-NSHDSACASA-N 0 3 341.358 2.406 10 5 EEBEHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)OC(C)(C)C ZINC000570276762 468616007 /nfs/dbraw/zinc/61/60/07/468616007.db2.gz QWAKFUPAOGCSGY-CHWSQXEVSA-N 0 3 338.408 2.091 10 5 EEBEHN CN(CC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000597859253 468696721 /nfs/dbraw/zinc/69/67/21/468696721.db2.gz SGZLATSOIFJQTI-CYBMUJFWSA-N 0 3 334.420 2.020 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000601131426 468755100 /nfs/dbraw/zinc/75/51/00/468755100.db2.gz KBPPLOSGJVVXCN-ZJUUUORDSA-N 0 3 347.341 2.268 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595659860 468943980 /nfs/dbraw/zinc/94/39/80/468943980.db2.gz BGPHFVSUPVHDOR-HNNXBMFYSA-N 0 3 349.435 2.179 10 5 EEBEHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCc2ccccc21 ZINC000595878322 469058766 /nfs/dbraw/zinc/05/87/66/469058766.db2.gz NDPSHZJUNYDQIA-HNNXBMFYSA-N 0 3 327.384 2.418 10 5 EEBEHN NCc1cccc2c1N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000599102663 469120019 /nfs/dbraw/zinc/12/00/19/469120019.db2.gz ONEGHXOJUYDBFB-UHFFFAOYSA-N 0 3 347.396 2.195 10 5 EEBEHN CCN(CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189664557 528234716 /nfs/dbraw/zinc/23/47/16/528234716.db2.gz NUSXEUYGCYYYCO-NSHDSACASA-N 0 3 329.422 2.141 10 5 EEBEHN O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CCCCN3C3CC3)cc2N1 ZINC000764942082 577491447 /nfs/dbraw/zinc/49/14/47/577491447.db2.gz RFSSPJVKTLBISM-LBPRGKRZSA-N 0 3 346.387 2.355 10 5 EEBEHN Cc1nc(C)c(C(=O)NCC=CCNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001268593274 1183406349 /nfs/dbraw/zinc/40/63/49/1183406349.db2.gz TXUDLJVVICLZCB-ARJAWSKDSA-N 0 3 343.387 2.011 10 5 EEBEHN COCCC(=O)NCC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001484130086 1191226232 /nfs/dbraw/zinc/22/62/32/1191226232.db2.gz VBWZEQYORMDHQR-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109708 1201121514 /nfs/dbraw/zinc/12/15/14/1201121514.db2.gz OACZVHPFNKKOHP-BBRMVZONSA-N 0 3 348.399 2.194 10 5 EEBEHN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001123354831 1310535965 /nfs/dbraw/zinc/53/59/65/1310535965.db2.gz FQWOBLZVJUCJDI-QGZVFWFLSA-N 0 3 349.431 2.429 10 5 EEBEHN CCN(CCCNC(=O)c1[nH]cnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001265149661 1322950280 /nfs/dbraw/zinc/95/02/80/1322950280.db2.gz XKMRYJVZQAOZMQ-UHFFFAOYSA-N 0 3 345.403 2.268 10 5 EEBEHN Cc1nc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001322753551 1333320050 /nfs/dbraw/zinc/32/00/50/1333320050.db2.gz YBOJAVARQGIYJE-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN COc1ccc(CC[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cn1 ZINC001331522138 1335030006 /nfs/dbraw/zinc/03/00/06/1335030006.db2.gz WLKUSLJWLWNFAL-UHFFFAOYSA-N 0 3 333.344 2.045 10 5 EEBEHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccccc1 ZINC001625586570 1352452705 /nfs/dbraw/zinc/45/27/05/1352452705.db2.gz MCCJLJCTLOVGAX-UHFFFAOYSA-N 0 3 328.372 2.039 10 5 EEBEHN COc1ccc(NC(=O)CCN[C@@H](C)c2ccnn2C)c([N+](=O)[O-])c1 ZINC001654568395 1354152503 /nfs/dbraw/zinc/15/25/03/1354152503.db2.gz PXIGIWROEAEGPK-NSHDSACASA-N 0 3 347.375 2.016 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000919803443 770298641 /nfs/dbraw/zinc/29/86/41/770298641.db2.gz SXENHAUZGXPCDN-CJNGLKHVSA-N 0 3 334.420 2.309 10 5 EEBEHN O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc(CN2CCCC2)c1 ZINC000785709758 806572265 /nfs/dbraw/zinc/57/22/65/806572265.db2.gz SGLNIWVIXRJZLL-UHFFFAOYSA-N 0 3 344.371 2.244 10 5 EEBEHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC001175210557 798033273 /nfs/dbraw/zinc/03/32/73/798033273.db2.gz BVHNPVWUMLDHPX-LLVKDONJSA-N 0 3 329.360 2.266 10 5 EEBEHN CCOCC(=O)NCCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001495501174 1101211404 /nfs/dbraw/zinc/21/14/04/1101211404.db2.gz ATUKGMIPXXAUPB-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC001454065861 1106700084 /nfs/dbraw/zinc/70/00/84/1106700084.db2.gz RYPWUURBXDLXKA-WCBMZHEXSA-N 0 3 326.784 2.043 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)n1 ZINC001458442209 1109874004 /nfs/dbraw/zinc/87/40/04/1109874004.db2.gz AWHSHXDDDISEGQ-CABCVRRESA-N 0 3 327.388 2.039 10 5 EEBEHN CC(C)c1ccc(CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266430544 248297747 /nfs/dbraw/zinc/29/77/47/248297747.db2.gz KQPWPYYMFKQCLY-KRWDZBQOSA-N 0 3 332.404 2.408 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177011242 207284761 /nfs/dbraw/zinc/28/47/61/207284761.db2.gz MLEUYCFKDQCWIE-LBPRGKRZSA-N 0 3 331.376 2.027 10 5 EEBEHN Cc1c(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000262203670 160445164 /nfs/dbraw/zinc/44/51/64/160445164.db2.gz KSOSBRYDMRBPFI-DDUZABMNSA-N 0 3 347.415 2.052 10 5 EEBEHN CCN1CCC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000130607548 292376468 /nfs/dbraw/zinc/37/64/68/292376468.db2.gz LNGLYGFRIANPLO-ZDUSSCGKSA-N 0 3 330.388 2.219 10 5 EEBEHN COCC[C@@H]1CCCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368769026 166124391 /nfs/dbraw/zinc/12/43/91/166124391.db2.gz DTLDIZDZQZNVDL-ZDUSSCGKSA-N 0 3 335.404 2.332 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000109113652 279158194 /nfs/dbraw/zinc/15/81/94/279158194.db2.gz CCHWXSSINAMPJC-HNNXBMFYSA-N 0 3 340.383 2.431 10 5 EEBEHN CC(C)Oc1cc(C(=O)NCCNc2ccncc2)ccc1[N+](=O)[O-] ZINC000411527283 312546776 /nfs/dbraw/zinc/54/67/76/312546776.db2.gz FQGYCHWSHICXHI-UHFFFAOYSA-N 0 3 344.371 2.041 10 5 EEBEHN CCOc1cc(N2CCN(C[C@@H](C)COC)CC2)ccc1[N+](=O)[O-] ZINC000526992587 317137639 /nfs/dbraw/zinc/13/76/39/317137639.db2.gz DGJDRXCAIMAJOC-CQSZACIVSA-N 0 3 337.420 2.398 10 5 EEBEHN CS[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1N(C)C ZINC000564892785 319123674 /nfs/dbraw/zinc/12/36/74/319123674.db2.gz DOTBPTMJEVIBMR-LSDHHAIUSA-N 0 3 336.461 2.350 10 5 EEBEHN CN1C[C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000591849691 468529879 /nfs/dbraw/zinc/52/98/79/468529879.db2.gz JFTJVFRMQKDWCC-BXUZGUMPSA-N 0 3 340.221 2.493 10 5 EEBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131414498 462809003 /nfs/dbraw/zinc/80/90/03/462809003.db2.gz AXIGEHUKZAZTMD-CXAGYDPISA-N 0 3 346.431 2.070 10 5 EEBEHN CN(C)C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052554418 463090398 /nfs/dbraw/zinc/09/03/98/463090398.db2.gz NWLIHNPYUQJIQO-OAHLLOKOSA-N 0 3 343.383 2.393 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000080598409 463334591 /nfs/dbraw/zinc/33/45/91/463334591.db2.gz OOCGQRJZVXCZKI-CQSZACIVSA-N 0 3 334.420 2.311 10 5 EEBEHN Cc1c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247322123 464668615 /nfs/dbraw/zinc/66/86/15/464668615.db2.gz ORNCJAOHDDJGPW-ZYHUDNBSSA-N 0 3 348.359 2.120 10 5 EEBEHN Cn1cc(CN2C[C@H]3COC[C@]3(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597210981 468481658 /nfs/dbraw/zinc/48/16/58/468481658.db2.gz JJDPVKIHHNAHQF-YJBOKZPZSA-N 0 3 342.399 2.464 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415481783 466686506 /nfs/dbraw/zinc/68/65/06/466686506.db2.gz JBWPDNVJNDUJSO-LBPRGKRZSA-N 0 3 328.319 2.330 10 5 EEBEHN CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCN(CC)C1 ZINC000598038911 468745662 /nfs/dbraw/zinc/74/56/62/468745662.db2.gz HCFHPYKSAPLDOF-NSHDSACASA-N 0 3 341.358 2.358 10 5 EEBEHN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598040124 468746500 /nfs/dbraw/zinc/74/65/00/468746500.db2.gz CUCAILNRJOHQSZ-AWEZNQCLSA-N 0 3 335.404 2.089 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601120755 468749591 /nfs/dbraw/zinc/74/95/91/468749591.db2.gz NFTXIQVAWCUSJB-ZDUSSCGKSA-N 0 3 330.388 2.036 10 5 EEBEHN C[C@@H]1[C@H](N2CCCC2)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164217 468767088 /nfs/dbraw/zinc/76/70/88/468767088.db2.gz XEOKTLNYBOSROJ-NXEZZACHSA-N 0 3 347.341 2.410 10 5 EEBEHN Cc1cc(S(=O)(=O)N(C)CCCN2CCCC2)c([N+](=O)[O-])s1 ZINC000601409559 468862219 /nfs/dbraw/zinc/86/22/19/468862219.db2.gz RUGYZIBOYGNWCM-UHFFFAOYSA-N 0 3 347.462 2.071 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)[C@H]3CCCO3)o2)c1 ZINC000598989860 469079484 /nfs/dbraw/zinc/07/94/84/469079484.db2.gz DIJVLWCOYOUVMH-NVXWUHKLSA-N 0 3 332.356 2.484 10 5 EEBEHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1CCN1C1CCCC1 ZINC000598994566 469080015 /nfs/dbraw/zinc/08/00/15/469080015.db2.gz BCTHAYGAWZPQRM-INIZCTEOSA-N 0 3 346.431 2.453 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@@]3(O)CCOC3)o2)c1 ZINC000593670248 469087131 /nfs/dbraw/zinc/08/71/31/469087131.db2.gz HAHVGORWTJYMIV-QGZVFWFLSA-N 0 3 332.356 2.486 10 5 EEBEHN CC1(C)[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000596065082 469135368 /nfs/dbraw/zinc/13/53/68/469135368.db2.gz DDBUIKLRURLJMN-GFCCVEGCSA-N 0 3 348.371 2.249 10 5 EEBEHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccs1 ZINC000611525118 469272456 /nfs/dbraw/zinc/27/24/56/469272456.db2.gz IYVNUSFLJBTOIW-ZDUSSCGKSA-N 0 3 336.417 2.446 10 5 EEBEHN CSc1cccc(C(=O)Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-] ZINC000614410559 469934115 /nfs/dbraw/zinc/93/41/15/469934115.db2.gz GVLWDBIASSROEE-UHFFFAOYSA-N 0 3 349.416 2.327 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(C)n1 ZINC001273341918 1198248771 /nfs/dbraw/zinc/24/87/71/1198248771.db2.gz WLFJBURAPJNZID-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCN2C2CCCCCC2)n1 ZINC000870731769 1200839486 /nfs/dbraw/zinc/83/94/86/1200839486.db2.gz BMYSKVWHDYZVEZ-ZDUSSCGKSA-N 0 3 336.392 2.282 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@]12CCCO2 ZINC001197283834 1284549520 /nfs/dbraw/zinc/54/95/20/1284549520.db2.gz DYLAWRTVPKJFJF-WBVHZDCISA-N 0 3 349.387 2.233 10 5 EEBEHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000861350707 1295359480 /nfs/dbraw/zinc/35/94/80/1295359480.db2.gz FCTBXGHLDFQFNO-YLQAJVPDSA-N 0 3 336.388 2.351 10 5 EEBEHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927038771 1296995465 /nfs/dbraw/zinc/99/54/65/1296995465.db2.gz LGLXMTHLFIAJHB-YEWTVFCHSA-N 0 3 336.413 2.280 10 5 EEBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(Cl)c1F ZINC001264984815 1322833037 /nfs/dbraw/zinc/83/30/37/1322833037.db2.gz BFRVWRPIRYMLIK-DGCLKSJQSA-N 0 3 343.786 2.082 10 5 EEBEHN O=C(CCN1CC[C@H](c2cnccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660351937 1354446378 /nfs/dbraw/zinc/44/63/78/1354446378.db2.gz JANPBDUAXDEWBZ-ZDUSSCGKSA-N 0 3 341.371 2.203 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)noc1C ZINC001668357171 1355929097 /nfs/dbraw/zinc/92/90/97/1355929097.db2.gz CWZKYVMKOMUPCU-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN C[C@H]1[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000921419984 773349163 /nfs/dbraw/zinc/34/91/63/773349163.db2.gz QNRMHCJZAWMAGA-TVQRCGJNSA-N 0 3 326.784 2.140 10 5 EEBEHN Cc1ccc(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)c([N+](=O)[O-])c1 ZINC000913866527 794433967 /nfs/dbraw/zinc/43/39/67/794433967.db2.gz YOVMHPUBHIDPGN-HNNXBMFYSA-N 0 3 340.401 2.098 10 5 EEBEHN CCC(CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000788920249 807761612 /nfs/dbraw/zinc/76/16/12/807761612.db2.gz QBFZBYDSJPIXJB-NSHDSACASA-N 0 3 349.478 2.301 10 5 EEBEHN Cc1ncoc1C(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001502170640 1113626108 /nfs/dbraw/zinc/62/61/08/1113626108.db2.gz XGCWUBOPOGCUPP-UHFFFAOYSA-N 0 3 346.387 2.485 10 5 EEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068224286 201163607 /nfs/dbraw/zinc/16/36/07/201163607.db2.gz IQGUMAWFRLIWFA-AWEZNQCLSA-N 0 3 337.420 2.456 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069452543 203003458 /nfs/dbraw/zinc/00/34/58/203003458.db2.gz HSJMBMTZDNNJAV-LBPRGKRZSA-N 0 3 341.795 2.089 10 5 EEBEHN O=[N+]([O-])c1cc(CN2CCN3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000177781375 207395744 /nfs/dbraw/zinc/39/57/44/207395744.db2.gz FBYFNEAWLWSMDN-OAHLLOKOSA-N 0 3 333.388 2.131 10 5 EEBEHN COc1ccc(OC)c([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000181954462 532984480 /nfs/dbraw/zinc/98/44/80/532984480.db2.gz JKXJYBRPVRAWSZ-LBPRGKRZSA-N 0 3 347.371 2.125 10 5 EEBEHN COc1cc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000339762233 286222000 /nfs/dbraw/zinc/22/20/00/286222000.db2.gz TYKVJBOSUQTRLJ-IAGOWNOFSA-N 0 3 336.388 2.013 10 5 EEBEHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188256350 160120474 /nfs/dbraw/zinc/12/04/74/160120474.db2.gz NFSYOOGDXPBLGY-UHFFFAOYSA-N 0 3 347.462 2.153 10 5 EEBEHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000195314046 160210040 /nfs/dbraw/zinc/21/00/40/160210040.db2.gz QJVQGMJULGWPIX-OAHLLOKOSA-N 0 3 344.415 2.115 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195506719 160215080 /nfs/dbraw/zinc/21/50/80/160215080.db2.gz ZAFIDJHTLIZPQY-UHFFFAOYSA-N 0 3 343.387 2.444 10 5 EEBEHN COc1ccc(OCCN2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248345475 160341799 /nfs/dbraw/zinc/34/17/99/160341799.db2.gz MUYSJGQDRBNULI-AWEZNQCLSA-N 0 3 335.404 2.152 10 5 EEBEHN CC(C)(C)N1CC[C@](F)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000290860042 275246968 /nfs/dbraw/zinc/24/69/68/275246968.db2.gz OXVRTSMKWCFHAQ-QGZVFWFLSA-N 0 3 337.395 2.466 10 5 EEBEHN CNC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421395458 314096389 /nfs/dbraw/zinc/09/63/89/314096389.db2.gz YKZSHBYNVMDUKL-LBPRGKRZSA-N 0 3 329.356 2.423 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(F)(c3ccccc3)CC2)c1 ZINC000434497091 314843351 /nfs/dbraw/zinc/84/33/51/314843351.db2.gz LYDRMYQTYTVBGR-INIZCTEOSA-N 0 3 348.378 2.113 10 5 EEBEHN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H]1CNCCO1 ZINC000094296455 463064104 /nfs/dbraw/zinc/06/41/04/463064104.db2.gz MAJHHWONTVTNHJ-SNVBAGLBSA-N 0 3 331.166 2.033 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N2CCN3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000178633576 463934517 /nfs/dbraw/zinc/93/45/17/463934517.db2.gz ZKNXSNUBVSHAOY-UONOGXRCSA-N 0 3 332.404 2.010 10 5 EEBEHN CN(C)C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000183576657 464881221 /nfs/dbraw/zinc/88/12/21/464881221.db2.gz QZESNTDKWILTRV-AWEZNQCLSA-N 0 3 329.360 2.414 10 5 EEBEHN CN(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccs1 ZINC000301844767 466044394 /nfs/dbraw/zinc/04/43/94/466044394.db2.gz SMSAXJIEFYIVTP-SNVBAGLBSA-N 0 3 332.389 2.414 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(N2CCN(c3ccncc3OC)CC2)c1 ZINC000338718161 466332427 /nfs/dbraw/zinc/33/24/27/466332427.db2.gz QIQVNZHXOICGMJ-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000363419523 466392940 /nfs/dbraw/zinc/39/29/40/466392940.db2.gz VXNHTYDRCAJZQB-YJBOKZPZSA-N 0 3 332.448 2.368 10 5 EEBEHN CN(C)CCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347148508 466431502 /nfs/dbraw/zinc/43/15/02/466431502.db2.gz CSJKTWBFNSCNHD-UHFFFAOYSA-N 0 3 345.197 2.383 10 5 EEBEHN C[C@@](CO)(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000451028113 467229661 /nfs/dbraw/zinc/22/96/61/467229661.db2.gz CHTSFMDTUHLYGJ-KRWDZBQOSA-N 0 3 332.356 2.177 10 5 EEBEHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000487547221 468044147 /nfs/dbraw/zinc/04/41/47/468044147.db2.gz FQOFMGPGYTTZMY-RISCZKNCSA-N 0 3 326.418 2.393 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2)C1 ZINC000601105214 468742543 /nfs/dbraw/zinc/74/25/43/468742543.db2.gz VRHABIYSEQKRBP-JTQLQIEISA-N 0 3 347.341 2.412 10 5 EEBEHN CCS(=O)(=O)C1(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595107296 468759855 /nfs/dbraw/zinc/75/98/55/468759855.db2.gz WYZHNJSABRCEAN-CYBMUJFWSA-N 0 3 340.445 2.473 10 5 EEBEHN CC(C)[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1 ZINC000601675618 468962894 /nfs/dbraw/zinc/96/28/94/468962894.db2.gz OSLFFHCLYQZBPP-INIZCTEOSA-N 0 3 331.416 2.473 10 5 EEBEHN C[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000601774768 469017526 /nfs/dbraw/zinc/01/75/26/469017526.db2.gz DMXYSKFNWPDFNK-KBXCAEBGSA-N 0 3 349.431 2.183 10 5 EEBEHN CN(CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccc(F)cc1 ZINC000587991462 469100386 /nfs/dbraw/zinc/10/03/86/469100386.db2.gz AVOHIXQNLXGNHR-UHFFFAOYSA-N 0 3 348.378 2.352 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCCN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987627 469209203 /nfs/dbraw/zinc/20/92/03/469209203.db2.gz MMKYAOMBIGEIAB-SMDDNHRTSA-N 0 3 348.321 2.466 10 5 EEBEHN Nc1cc(NCCN2CCc3ccccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000611525197 469272391 /nfs/dbraw/zinc/27/23/91/469272391.db2.gz KMAJZDOTYWHFDA-UHFFFAOYSA-N 0 3 342.399 2.140 10 5 EEBEHN CN1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000604230538 469465210 /nfs/dbraw/zinc/46/52/10/469465210.db2.gz KQCWELIPPWJNHW-VIFPVBQESA-N 0 3 344.318 2.412 10 5 EEBEHN Cc1nn(CN2CCC[C@H]([C@@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000747822990 577950687 /nfs/dbraw/zinc/95/06/87/577950687.db2.gz GJNILTQZPDVDRA-UONOGXRCSA-N 0 3 345.403 2.354 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000928433654 683113574 /nfs/dbraw/zinc/11/35/74/683113574.db2.gz AWPYVXULJNUTBD-PSASIEDQSA-N 0 3 329.303 2.019 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000928441719 683164399 /nfs/dbraw/zinc/16/43/99/683164399.db2.gz TUELDBIFFDYBLX-LDYMZIIASA-N 0 3 329.303 2.019 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000925322422 692043763 /nfs/dbraw/zinc/04/37/63/692043763.db2.gz XKWISOGMVUHIFR-WPRPVWTQSA-N 0 3 344.318 2.410 10 5 EEBEHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)c1ccnn1C ZINC000927127036 693299431 /nfs/dbraw/zinc/29/94/31/693299431.db2.gz PWPAYGLNNHCTMZ-YGRLFVJLSA-N 0 3 336.417 2.434 10 5 EEBEHN COCC1(CC(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001266591640 1176901315 /nfs/dbraw/zinc/90/13/15/1176901315.db2.gz RONYADCTYJYJEA-SHTZXODSSA-N 0 3 347.415 2.148 10 5 EEBEHN COCC(=O)NCc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001267932185 1180782705 /nfs/dbraw/zinc/78/27/05/1180782705.db2.gz OLIWCEQMHHQCTB-UHFFFAOYSA-N 0 3 343.383 2.147 10 5 EEBEHN C[C@@H](NC[C@H]1CCCN1CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076081 1198040742 /nfs/dbraw/zinc/04/07/42/1198040742.db2.gz XCSCLGHTPPNETH-CHWSQXEVSA-N 0 3 325.384 2.231 10 5 EEBEHN Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2)cc1 ZINC000813115327 1201125965 /nfs/dbraw/zinc/12/59/65/1201125965.db2.gz PCUYIEUTBQVDSV-HIFRSBDPSA-N 0 3 334.372 2.056 10 5 EEBEHN CN(CCCN(C)C(=O)c1cocn1)Cc1cccc([N+](=O)[O-])c1 ZINC001273496014 1278593427 /nfs/dbraw/zinc/59/34/27/1278593427.db2.gz QOYGBKQFJMHUMJ-UHFFFAOYSA-N 0 3 332.360 2.177 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC001273929462 1289920858 /nfs/dbraw/zinc/92/08/58/1289920858.db2.gz SDFCDXMXUGAWJC-UPHRSURJSA-N 0 3 344.346 2.205 10 5 EEBEHN CC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000859776858 1294645163 /nfs/dbraw/zinc/64/51/63/1294645163.db2.gz BHIPSWCUQSWQBT-UHFFFAOYSA-N 0 3 337.395 2.421 10 5 EEBEHN Cc1cc(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCC2)no1 ZINC001280465708 1324239490 /nfs/dbraw/zinc/23/94/90/1324239490.db2.gz OTJSQECTVRECFJ-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1N(C)C ZINC001295851132 1329849120 /nfs/dbraw/zinc/84/91/20/1329849120.db2.gz CPTFATXJFIYZEN-KGLIPLIRSA-N 0 3 341.408 2.160 10 5 EEBEHN Cc1ncc(CC(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001316831043 1331920573 /nfs/dbraw/zinc/92/05/73/1331920573.db2.gz XCLLHPBWSQZONT-UHFFFAOYSA-N 0 3 346.387 2.072 10 5 EEBEHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)F ZINC001316908979 1331974800 /nfs/dbraw/zinc/97/48/00/1331974800.db2.gz JGJFLVPQRFXGAM-UHFFFAOYSA-N 0 3 327.331 2.331 10 5 EEBEHN Cc1ccncc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001321015629 1332998680 /nfs/dbraw/zinc/99/86/80/1332998680.db2.gz VIGQTXNMQFXZOE-NSCUHMNNSA-N 0 3 340.383 2.374 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)n1 ZINC001624306773 1352418472 /nfs/dbraw/zinc/41/84/72/1352418472.db2.gz LOKIJUVNUBEUSS-INIZCTEOSA-N 0 3 328.372 2.331 10 5 EEBEHN C[C@@H](NC[C@H](O)CN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001654747239 1354156516 /nfs/dbraw/zinc/15/65/16/1354156516.db2.gz PSQVOKXFEMWMAW-MFKMUULPSA-N 0 3 335.326 2.100 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1oncc1C ZINC001668605322 1355971640 /nfs/dbraw/zinc/97/16/40/1355971640.db2.gz WZNDHBKIHPKPIU-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN C[C@H](NC[C@H](O)CN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001176036857 798326557 /nfs/dbraw/zinc/32/65/57/798326557.db2.gz PSQVOKXFEMWMAW-GWCFXTLKSA-N 0 3 335.326 2.100 10 5 EEBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1sccc1Cl ZINC001566453018 1125611644 /nfs/dbraw/zinc/61/16/44/1125611644.db2.gz CGRPQDWKYCITPA-MWLCHTKSSA-N 0 3 331.825 2.005 10 5 EEBEHN COc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001493738896 1108601532 /nfs/dbraw/zinc/60/15/32/1108601532.db2.gz PTOVDMXTDZTYTE-UHFFFAOYSA-N 0 3 333.344 2.058 10 5 EEBEHN CCc1noc(C)c1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001493789239 1108668172 /nfs/dbraw/zinc/66/81/72/1108668172.db2.gz KVLQIZOGFSQOJQ-UHFFFAOYSA-N 0 3 346.387 2.315 10 5 EEBEHN CCC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1CCOC ZINC000447677135 242303547 /nfs/dbraw/zinc/30/35/47/242303547.db2.gz HIHJUTGYXQVSEY-CQSZACIVSA-N 0 3 347.419 2.408 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)CC3CCCC3)C2)nc1 ZINC000249120177 160374149 /nfs/dbraw/zinc/37/41/49/160374149.db2.gz SOJRVJJEUKDSET-ZBFHGGJFSA-N 0 3 334.420 2.417 10 5 EEBEHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCN2CCC[C@H]2C1 ZINC000247064715 160307621 /nfs/dbraw/zinc/30/76/21/160307621.db2.gz RSKLXVIRJMJPDX-NSHDSACASA-N 0 3 337.351 2.195 10 5 EEBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN3CCC2CC3)c1 ZINC000368043852 166040357 /nfs/dbraw/zinc/04/03/57/166040357.db2.gz QJTMVIZUEZEMOL-UHFFFAOYSA-N 0 3 327.331 2.476 10 5 EEBEHN COc1cnccc1N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000360242952 164265727 /nfs/dbraw/zinc/26/57/27/164265727.db2.gz SONVJGNKYNASLI-UHFFFAOYSA-N 0 3 349.778 2.373 10 5 EEBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181317480 274213182 /nfs/dbraw/zinc/21/31/82/274213182.db2.gz GSYNTTVODYXZSW-ZDUSSCGKSA-N 0 3 342.399 2.427 10 5 EEBEHN O=C1C[C@H](CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000414214512 312983523 /nfs/dbraw/zinc/98/35/23/312983523.db2.gz ZDEBFFSDCQZZEE-SCLBCKFNSA-N 0 3 325.368 2.410 10 5 EEBEHN CN(C)C[C@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000564884647 319122827 /nfs/dbraw/zinc/12/28/27/319122827.db2.gz KPNNABGSDRUKFZ-LLVKDONJSA-N 0 3 341.358 2.358 10 5 EEBEHN CNc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CN)cc1[N+](=O)[O-] ZINC000570281805 319652158 /nfs/dbraw/zinc/65/21/58/319652158.db2.gz LXUBDOCGKKRPLR-KRWDZBQOSA-N 0 3 340.383 2.335 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342220934 465303824 /nfs/dbraw/zinc/30/38/24/465303824.db2.gz JGMWDLRGWYGKLV-VXGBXAGGSA-N 0 3 345.403 2.918 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000590654457 468296514 /nfs/dbraw/zinc/29/65/14/468296514.db2.gz BXYJKLHPMLDVDR-ZDUSSCGKSA-N 0 3 347.415 2.298 10 5 EEBEHN O=[N+]([O-])c1cc(Cl)cnc1NC1CCN([C@H]2CCOC2)CC1 ZINC000089603140 462697866 /nfs/dbraw/zinc/69/78/66/462697866.db2.gz GWFSGGMUCMRXFC-LBPRGKRZSA-N 0 3 326.784 2.308 10 5 EEBEHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000049128860 462955540 /nfs/dbraw/zinc/95/55/40/462955540.db2.gz BUGMEJDEDWARND-WPRPVWTQSA-N 0 3 330.797 2.218 10 5 EEBEHN CC(C)NC(=O)CN(C)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000095986698 463129178 /nfs/dbraw/zinc/12/91/78/463129178.db2.gz YRHCBGWEJXSYME-UHFFFAOYSA-N 0 3 340.449 2.082 10 5 EEBEHN CCc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000081947597 463508218 /nfs/dbraw/zinc/50/82/18/463508218.db2.gz YCKSVJUJQVQPMV-UHFFFAOYSA-N 0 3 331.376 2.168 10 5 EEBEHN C[C@H]1COCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277324019 463910332 /nfs/dbraw/zinc/91/03/32/463910332.db2.gz DOBSQVCSERZCQK-CABZTGNLSA-N 0 3 327.768 2.201 10 5 EEBEHN C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174104829 464361158 /nfs/dbraw/zinc/36/11/58/464361158.db2.gz GRDDVEOAGGPYDK-XJKSGUPXSA-N 0 3 330.388 2.312 10 5 EEBEHN CC[C@@H](NC[C@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181533278 464501506 /nfs/dbraw/zinc/50/15/06/464501506.db2.gz UYQQKGHZJBXUMZ-DOTOQJQBSA-N 0 3 338.404 2.192 10 5 EEBEHN Cc1cccc(C(=O)N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007420 468435548 /nfs/dbraw/zinc/43/55/48/468435548.db2.gz QDTZJFXGLCDZIV-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN CCN1CCC[C@H]1CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301482035 465970032 /nfs/dbraw/zinc/97/00/32/465970032.db2.gz SSHXMSUWWORMRV-NSHDSACASA-N 0 3 331.376 2.164 10 5 EEBEHN CCNc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000347016725 466324361 /nfs/dbraw/zinc/32/43/61/466324361.db2.gz SXEUZYXBZJMPEQ-AWEZNQCLSA-N 0 3 332.404 2.335 10 5 EEBEHN CN(C)[C@@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCSC1 ZINC000488118645 468072451 /nfs/dbraw/zinc/07/24/51/468072451.db2.gz BFQOUSHNRIRUET-MRXNPFEDSA-N 0 3 332.429 2.414 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000590045958 468208120 /nfs/dbraw/zinc/20/81/20/468208120.db2.gz ZDCKLRSTMQPZBC-ZANVPECISA-N 0 3 343.305 2.390 10 5 EEBEHN COc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600474110 468568263 /nfs/dbraw/zinc/56/82/63/468568263.db2.gz XGUQTEQVENUZGH-AWEZNQCLSA-N 0 3 333.388 2.350 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](O)[C@H]2CCc2ccccc2)n1 ZINC000592166854 468644497 /nfs/dbraw/zinc/64/44/97/468644497.db2.gz JSPZQIPAXVOMQK-SJORKVTESA-N 0 3 344.415 2.249 10 5 EEBEHN O=[N+]([O-])c1cc(F)cnc1NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000601118302 468748676 /nfs/dbraw/zinc/74/86/76/468748676.db2.gz CFBQPQDGVCQWFL-KRWDZBQOSA-N 0 3 346.362 2.178 10 5 EEBEHN CN(CCN1CCCCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601181941 468773255 /nfs/dbraw/zinc/77/32/55/468773255.db2.gz PIEFBEGNSRLXCE-UHFFFAOYSA-N 0 3 335.330 2.269 10 5 EEBEHN CCS(=O)(=O)C1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596522146 469292086 /nfs/dbraw/zinc/29/20/86/469292086.db2.gz VGIQBHKEUHONHM-UHFFFAOYSA-N 0 3 349.412 2.253 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1 ZINC000534634672 485549194 /nfs/dbraw/zinc/54/91/94/485549194.db2.gz ULXRCIRRTDTHTH-HNNXBMFYSA-N 0 3 336.436 2.408 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000928437161 683136812 /nfs/dbraw/zinc/13/68/12/683136812.db2.gz HAAYUPPVTTYTEM-LDYMZIIASA-N 0 3 331.294 2.436 10 5 EEBEHN Cn1ccc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001482997156 1187976685 /nfs/dbraw/zinc/97/66/85/1187976685.db2.gz LEZLLUYQOKWSIX-NSCUHMNNSA-N 0 3 328.372 2.009 10 5 EEBEHN Cc1nc(C)c(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])[nH]1 ZINC001276233585 1205845726 /nfs/dbraw/zinc/84/57/26/1205845726.db2.gz XYMWJQNSJPLUJT-UHFFFAOYSA-N 0 3 345.403 2.187 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927646793 1206285992 /nfs/dbraw/zinc/28/59/92/1206285992.db2.gz YKVOUNHWVGWZDB-HNNXBMFYSA-N 0 3 348.403 2.278 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCN1C ZINC000719385278 1213144930 /nfs/dbraw/zinc/14/49/30/1213144930.db2.gz NMDGFDYILCRFNZ-PSASIEDQSA-N 0 3 342.193 2.180 10 5 EEBEHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852351151 1292097428 /nfs/dbraw/zinc/09/74/28/1292097428.db2.gz JAELBCVJKNEPOG-KCPJHIHWSA-N 0 3 326.368 2.390 10 5 EEBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000859955514 1294724212 /nfs/dbraw/zinc/72/42/12/1294724212.db2.gz VAJLYLABEYUNRR-VQHPVUNQSA-N 0 3 348.399 2.292 10 5 EEBEHN Cc1n[nH]cc1CN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001644090969 1352757191 /nfs/dbraw/zinc/75/71/91/1352757191.db2.gz SWEHNWBNLLKPME-UHFFFAOYSA-N 0 3 345.359 2.056 10 5 EEBEHN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCCN3CCCCC3)c2c1 ZINC001651373630 1354050678 /nfs/dbraw/zinc/05/06/78/1354050678.db2.gz JVKYCIVKCIRUSF-UHFFFAOYSA-N 0 3 345.359 2.371 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001668673143 1355984239 /nfs/dbraw/zinc/98/42/39/1355984239.db2.gz SRGLDTVXVBRWPP-ARJAWSKDSA-N 0 3 326.356 2.066 10 5 EEBEHN CCC(=O)N1CCC(N(CCOC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001699689344 1405443204 /nfs/dbraw/zinc/44/32/04/1405443204.db2.gz PLCONAIXYVLSMK-UHFFFAOYSA-N 0 3 349.431 2.444 10 5 EEBEHN CN(CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)CC(C)(C)C ZINC000911472104 787466000 /nfs/dbraw/zinc/46/60/00/787466000.db2.gz FALXCSODFIYDSV-UHFFFAOYSA-N 0 3 329.347 2.467 10 5 EEBEHN CCc1cc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC001566509925 1125680543 /nfs/dbraw/zinc/68/05/43/1125680543.db2.gz HNKFPLACKWEIAD-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN Cn1cnc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000459662816 245201847 /nfs/dbraw/zinc/20/18/47/245201847.db2.gz OGLOARLKYWPYTK-UHFFFAOYSA-N 0 3 326.303 2.262 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000160421771 206295864 /nfs/dbraw/zinc/29/58/64/206295864.db2.gz NSETWJDRBIRQSJ-CYBMUJFWSA-N 0 3 335.404 2.454 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177712153 207382246 /nfs/dbraw/zinc/38/22/46/207382246.db2.gz LYDGNGSOPZXRPA-OAHLLOKOSA-N 0 3 334.420 2.258 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCCO1 ZINC000076300039 159083394 /nfs/dbraw/zinc/08/33/94/159083394.db2.gz NXCFHIDVYUCMFF-CYBMUJFWSA-N 0 3 337.376 2.043 10 5 EEBEHN Cc1c(NC(=O)[C@@H](C)N2CCN3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246784138 160294414 /nfs/dbraw/zinc/29/44/14/160294414.db2.gz ZKNXSNUBVSHAOY-KGLIPLIRSA-N 0 3 332.404 2.010 10 5 EEBEHN CCN1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359035129 164042365 /nfs/dbraw/zinc/04/23/65/164042365.db2.gz AALWTEDDSNLRAE-NSHDSACASA-N 0 3 343.330 2.410 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccccn2)CC1 ZINC000360734540 164371443 /nfs/dbraw/zinc/37/14/43/164371443.db2.gz OTBZBIKLDGNWTR-UHFFFAOYSA-N 0 3 328.372 2.031 10 5 EEBEHN C[C@H]1COCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000277427371 269154530 /nfs/dbraw/zinc/15/45/30/269154530.db2.gz KKAUMAXZFJCYLV-ONGXEEELSA-N 0 3 327.768 2.201 10 5 EEBEHN CC(C)c1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1[N+](=O)[O-] ZINC000189823148 278025368 /nfs/dbraw/zinc/02/53/68/278025368.db2.gz VQYUBSSYCOXCAG-AWEZNQCLSA-N 0 3 335.404 2.121 10 5 EEBEHN CCN1CC[C@H]2OCCN(C/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000552346658 468324929 /nfs/dbraw/zinc/32/49/29/468324929.db2.gz ZCBBFCNGJWCOIG-QGNVGDHZSA-N 0 3 331.416 2.403 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1C ZINC000123163766 463320623 /nfs/dbraw/zinc/32/06/23/463320623.db2.gz SPZZYOWRJROEQC-PWSUYJOCSA-N 0 3 336.348 2.058 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000590971144 468387754 /nfs/dbraw/zinc/38/77/54/468387754.db2.gz OXHONFXEMQQMJL-CABCVRRESA-N 0 3 334.372 2.429 10 5 EEBEHN CN(C)C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000172305088 464046499 /nfs/dbraw/zinc/04/64/99/464046499.db2.gz PWXRBMZYXSCEFG-ZDUSSCGKSA-N 0 3 349.412 2.212 10 5 EEBEHN Cc1c(NC(=O)CCN2CCN3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000172804034 464146530 /nfs/dbraw/zinc/14/65/30/464146530.db2.gz OFWYSFUBGSJOBP-OAHLLOKOSA-N 0 3 346.431 2.402 10 5 EEBEHN CN1CC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1ccccc1 ZINC000225600100 464175163 /nfs/dbraw/zinc/17/51/63/464175163.db2.gz VQYMHDXOOQUUNH-DYVFJYSZSA-N 0 3 338.371 2.495 10 5 EEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000175007340 464478878 /nfs/dbraw/zinc/47/88/78/464478878.db2.gz RQXNUSHSVLUMER-TZMCWYRMSA-N 0 3 333.388 2.302 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600227450 468501069 /nfs/dbraw/zinc/50/10/69/468501069.db2.gz CLVNCFIFJITTTM-AWEZNQCLSA-N 0 3 332.404 2.435 10 5 EEBEHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000375693824 466864188 /nfs/dbraw/zinc/86/41/88/466864188.db2.gz UIFDQKTWWCUDBR-HNNXBMFYSA-N 0 3 340.383 2.242 10 5 EEBEHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370587120 466932194 /nfs/dbraw/zinc/93/21/94/466932194.db2.gz HCIAFJQOZYGYPE-MRXNPFEDSA-N 0 3 340.383 2.336 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000450397925 467842926 /nfs/dbraw/zinc/84/29/26/467842926.db2.gz WQDLJPLIRQYHRG-DOTOQJQBSA-N 0 3 342.399 2.285 10 5 EEBEHN CCO[C@@H]1C[C@@H](NCCOc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592169891 468646025 /nfs/dbraw/zinc/64/60/25/468646025.db2.gz ZFFNDKPEFJLYBS-DFBGVHRSSA-N 0 3 326.418 2.472 10 5 EEBEHN CCN1CCC(N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601103594 468741721 /nfs/dbraw/zinc/74/17/21/468741721.db2.gz YXVLBTNRQWPCBN-UHFFFAOYSA-N 0 3 335.330 2.268 10 5 EEBEHN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCN1CC(C)(C)O ZINC000593477135 468997641 /nfs/dbraw/zinc/99/76/41/468997641.db2.gz WFMWWSHHIIKDTQ-CYBMUJFWSA-N 0 3 344.415 2.424 10 5 EEBEHN CN1CCC(n2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000601776007 469018368 /nfs/dbraw/zinc/01/83/68/469018368.db2.gz OXILXXSGRRRQDD-UHFFFAOYSA-N 0 3 343.387 2.239 10 5 EEBEHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593669809 469085810 /nfs/dbraw/zinc/08/58/10/469085810.db2.gz BHFWTDKTKMDHAH-QWHCGFSZSA-N 0 3 332.356 2.436 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@]3(O)CCOC3)o2)cc1 ZINC000593670559 469087628 /nfs/dbraw/zinc/08/76/28/469087628.db2.gz IBNUFCSVRFKCAJ-KRWDZBQOSA-N 0 3 332.356 2.486 10 5 EEBEHN Cc1noc([C@@H]2OCC[C@@H]2NC/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000599020793 469091206 /nfs/dbraw/zinc/09/12/06/469091206.db2.gz OMXHKUVOVCQDGV-MVOUDAGVSA-N 0 3 330.344 2.419 10 5 EEBEHN COC(=O)c1ccnc(NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599163567 469143974 /nfs/dbraw/zinc/14/39/74/469143974.db2.gz DOUXBPZUZCMHHU-LBPRGKRZSA-N 0 3 334.376 2.205 10 5 EEBEHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2COc3ccccc3O2)cc1 ZINC000776272764 577456157 /nfs/dbraw/zinc/45/61/57/577456157.db2.gz VZPAVDCGLYLXKD-CABCVRRESA-N 0 3 330.340 2.058 10 5 EEBEHN COCCN1CCC[C@@H](NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752059420 577765425 /nfs/dbraw/zinc/76/54/25/577765425.db2.gz ZBJOJBJNCQSGQZ-WCRPCQDQSA-N 0 3 347.415 2.225 10 5 EEBEHN O=C1C[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])CCCN1 ZINC000895611487 684662791 /nfs/dbraw/zinc/66/27/91/684662791.db2.gz WMZUBHRRZMLOFB-NSHDSACASA-N 0 3 342.193 2.116 10 5 EEBEHN COCCC(=O)NCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001270088758 1184838484 /nfs/dbraw/zinc/83/84/84/1184838484.db2.gz QPIONZUBUXMTKP-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN COCC1(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001691512174 1185570028 /nfs/dbraw/zinc/57/00/28/1185570028.db2.gz UHSLXARDVYFMRV-CTYIDZIISA-N 0 3 347.415 2.006 10 5 EEBEHN CC(COC(=O)C1(c2ccc(F)cc2F)CCOCC1)[N+](=O)[O-] ZINC000813108671 1201120285 /nfs/dbraw/zinc/12/02/85/1201120285.db2.gz JOGJBMMYGGJYNK-JTQLQIEISA-N 0 3 329.299 2.221 10 5 EEBEHN COc1cc(N(C)CCN2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000866255722 1201476877 /nfs/dbraw/zinc/47/68/77/1201476877.db2.gz CYOXIVRVAYKHQP-UHFFFAOYSA-N 0 3 335.404 2.152 10 5 EEBEHN Cc1n[nH]cc1C(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001273541242 1279567168 /nfs/dbraw/zinc/56/71/68/1279567168.db2.gz UIJIAEJOVDASHM-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC001273948748 1289984956 /nfs/dbraw/zinc/98/49/56/1289984956.db2.gz VENHGTIVFRIFKA-OWOJBTEDSA-N 0 3 339.342 2.402 10 5 EEBEHN CN(C)Cc1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001290472900 1328206873 /nfs/dbraw/zinc/20/68/73/1328206873.db2.gz IGDQPFWRAITIKD-MRXNPFEDSA-N 0 3 329.356 2.329 10 5 EEBEHN CCc1nc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001317579218 1332306875 /nfs/dbraw/zinc/30/68/75/1332306875.db2.gz JRAOSTSEPBXCQH-UHFFFAOYSA-N 0 3 332.360 2.007 10 5 EEBEHN Cc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)nc1C ZINC001317610492 1332325615 /nfs/dbraw/zinc/32/56/15/1332325615.db2.gz LVPBZVBTGSSYLJ-UHFFFAOYSA-N 0 3 342.399 2.468 10 5 EEBEHN C[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001622828134 1352389520 /nfs/dbraw/zinc/38/95/20/1352389520.db2.gz ZFMQXUIVROULOL-SCZZXKLOSA-N 0 3 338.795 2.185 10 5 EEBEHN CN(C)Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(F)c1 ZINC001626399607 1352461914 /nfs/dbraw/zinc/46/19/14/1352461914.db2.gz NISYQXWJZCXCOJ-UHFFFAOYSA-N 0 3 341.730 2.424 10 5 EEBEHN CCn1nccc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001660113224 1354399161 /nfs/dbraw/zinc/39/91/61/1354399161.db2.gz PBOHEXWBUXPOMV-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN CN(C(=O)CNC1([C@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001660642900 1354508142 /nfs/dbraw/zinc/50/81/42/1354508142.db2.gz ZTXUCOSMTOQZMN-OAHLLOKOSA-N 0 3 333.388 2.249 10 5 EEBEHN COC(=O)c1cc(NC(=O)[C@H]2CC[C@H]3CCCCN32)cc([N+](=O)[O-])c1 ZINC001136960408 788354159 /nfs/dbraw/zinc/35/41/59/788354159.db2.gz ULNZJXTWVNDFQK-UKRRQHHQSA-N 0 3 347.371 2.337 10 5 EEBEHN Nc1nnc([C@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001174965851 797951226 /nfs/dbraw/zinc/95/12/26/797951226.db2.gz UVHZSVNREUBECL-LBPRGKRZSA-N 0 3 347.375 2.209 10 5 EEBEHN COCCN(C)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001472683835 1110562036 /nfs/dbraw/zinc/56/20/36/1110562036.db2.gz AWUBTBHVWWBNIM-UHFFFAOYSA-N 0 3 338.795 2.208 10 5 EEBEHN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000374322399 154050211 /nfs/dbraw/zinc/05/02/11/154050211.db2.gz CPXWCJAMNNMYGE-UKRRQHHQSA-N 0 3 338.477 2.114 10 5 EEBEHN Cc1nccn1C[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246332497 160274228 /nfs/dbraw/zinc/27/42/28/160274228.db2.gz SWKRWXFGQZKWMC-DLBZAZTESA-N 0 3 330.388 2.298 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)c1cccnc1 ZINC000342284424 161053670 /nfs/dbraw/zinc/05/36/70/161053670.db2.gz QXONUEHWGLNRTG-OAHLLOKOSA-N 0 3 331.372 2.254 10 5 EEBEHN CCC[N@H+](CC)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352559590 162187717 /nfs/dbraw/zinc/18/77/17/162187717.db2.gz JRFSPWKFOQRRCA-JTQLQIEISA-N 0 3 335.451 2.055 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272518159 268986204 /nfs/dbraw/zinc/98/62/04/268986204.db2.gz LARQHEKAMZZRNP-CYBMUJFWSA-N 0 3 327.331 2.239 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)n1 ZINC000191787776 274052286 /nfs/dbraw/zinc/05/22/86/274052286.db2.gz HYWXSTSTUQSGRK-CQSZACIVSA-N 0 3 345.403 2.152 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421762954 314158065 /nfs/dbraw/zinc/15/80/65/314158065.db2.gz OXHJVVDPEOCJQW-AWEZNQCLSA-N 0 3 335.404 2.052 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000296028142 465056689 /nfs/dbraw/zinc/05/66/89/465056689.db2.gz ZNZRUGNRWBYLJY-HIFRSBDPSA-N 0 3 347.415 2.499 10 5 EEBEHN O=C(CCN1CCC[C@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337248571 465266376 /nfs/dbraw/zinc/26/63/76/465266376.db2.gz KYRILDNOFLIUFG-ZFWWWQNUSA-N 0 3 333.388 2.424 10 5 EEBEHN O=[N+]([O-])c1cnc(N2CC[C@@H](OCCN3CCCCC3)C2)c(F)c1 ZINC000520994325 468282833 /nfs/dbraw/zinc/28/28/33/468282833.db2.gz PLGFHRAUOKLHJI-CQSZACIVSA-N 0 3 338.383 2.210 10 5 EEBEHN C[C@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(C)(C)CN(C)C ZINC000076023465 462788326 /nfs/dbraw/zinc/78/83/26/462788326.db2.gz OTIJMGMWSCLLKM-NSHDSACASA-N 0 3 343.449 2.387 10 5 EEBEHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000066835982 462935495 /nfs/dbraw/zinc/93/54/95/462935495.db2.gz KYHBGUWYRUBMRV-ZDUSSCGKSA-N 0 3 349.387 2.117 10 5 EEBEHN Cc1ccc(OCC(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000026585460 463167987 /nfs/dbraw/zinc/16/79/87/463167987.db2.gz IBYRDHQWWHGTDH-UHFFFAOYSA-N 0 3 333.388 2.025 10 5 EEBEHN Cn1nccc1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137020183 463272508 /nfs/dbraw/zinc/27/25/08/463272508.db2.gz IUEKSMKPTUWMRA-QGZVFWFLSA-N 0 3 330.388 2.241 10 5 EEBEHN Cc1ccc([C@H](C)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000164899947 463635946 /nfs/dbraw/zinc/63/59/46/463635946.db2.gz ZJGGUFKXEHBPHG-WMLDXEAASA-N 0 3 349.431 2.437 10 5 EEBEHN Cc1cc(N2CC[C@@H]3OCCN(C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000284853332 464366158 /nfs/dbraw/zinc/36/61/58/464366158.db2.gz DVDDRMJHGRGNFX-ROUUACIJSA-N 0 3 342.399 2.361 10 5 EEBEHN Cc1ccc([C@H](C)NC[C@@H](O)COC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000245856443 464519449 /nfs/dbraw/zinc/51/94/49/464519449.db2.gz HMGZPLJAOCNNBV-NUEKZKHPSA-N 0 3 338.404 2.110 10 5 EEBEHN CC(C)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000190208540 464608121 /nfs/dbraw/zinc/60/81/21/464608121.db2.gz QJVYWXCSDXDOIY-HNNXBMFYSA-N 0 3 349.431 2.295 10 5 EEBEHN O=C(CCN[C@@H](CO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000182932146 464761151 /nfs/dbraw/zinc/76/11/51/464761151.db2.gz WXIUHTPHNNIJFW-HNNXBMFYSA-N 0 3 329.356 2.247 10 5 EEBEHN COc1cc(OC)cc([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000177409519 465007532 /nfs/dbraw/zinc/00/75/32/465007532.db2.gz MMHPDVYOESPVIS-ZDUSSCGKSA-N 0 3 346.387 2.298 10 5 EEBEHN COc1cc(OC)cc([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000177409498 465007952 /nfs/dbraw/zinc/00/79/52/465007952.db2.gz MMHPDVYOESPVIS-CYBMUJFWSA-N 0 3 346.387 2.298 10 5 EEBEHN Cc1c(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359540329 465443213 /nfs/dbraw/zinc/44/32/13/465443213.db2.gz HMCAESZWDZJZFN-HNNXBMFYSA-N 0 3 332.404 2.281 10 5 EEBEHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccncc1[N+](=O)[O-] ZINC000361011778 465702035 /nfs/dbraw/zinc/70/20/35/465702035.db2.gz DBGXLCRZBOBGQI-GOSISDBHSA-N 0 3 342.399 2.063 10 5 EEBEHN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000330777979 465800469 /nfs/dbraw/zinc/80/04/69/465800469.db2.gz BAACTKKUSCEVHA-UHFFFAOYSA-N 0 3 343.330 2.362 10 5 EEBEHN COc1cnccc1N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361519235 466067445 /nfs/dbraw/zinc/06/74/45/466067445.db2.gz NDHMTUFIECKCFH-UHFFFAOYSA-N 0 3 342.399 2.363 10 5 EEBEHN CC(C)N(CCN1CCCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450536821 467866040 /nfs/dbraw/zinc/86/60/40/467866040.db2.gz BWMMWVIKIKKIMM-UHFFFAOYSA-N 0 3 349.435 2.180 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590444369 468258253 /nfs/dbraw/zinc/25/82/53/468258253.db2.gz LBZZUUIRFMQIAJ-IAQYHMDHSA-N 0 3 335.379 2.174 10 5 EEBEHN O=[N+]([O-])c1ccccc1CNCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000594974543 468736116 /nfs/dbraw/zinc/73/61/16/468736116.db2.gz LPEIJUXNOFXEAP-GOSISDBHSA-N 0 3 341.411 2.451 10 5 EEBEHN O=[N+]([O-])c1cc(F)cnc1NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000601118303 468748491 /nfs/dbraw/zinc/74/84/91/468748491.db2.gz CFBQPQDGVCQWFL-QGZVFWFLSA-N 0 3 346.362 2.178 10 5 EEBEHN CN1CCN(CCCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000571200653 468755382 /nfs/dbraw/zinc/75/53/82/468755382.db2.gz YBDZWYUNCWQUFG-UHFFFAOYSA-N 0 3 347.463 2.308 10 5 EEBEHN O=[N+]([O-])c1ccccc1C[C@H](NC1CN(c2ccncn2)C1)C1CC1 ZINC000601304276 468819199 /nfs/dbraw/zinc/81/91/99/468819199.db2.gz PCOUXXAKGDKFTF-INIZCTEOSA-N 0 3 339.399 2.184 10 5 EEBEHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000571759776 468835192 /nfs/dbraw/zinc/83/51/92/468835192.db2.gz VZUFBZQWLZHBSC-UHFFFAOYSA-N 0 3 334.401 2.255 10 5 EEBEHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccccc21 ZINC000593092017 468868142 /nfs/dbraw/zinc/86/81/42/468868142.db2.gz RFJUHOLEEIXDBP-AWEZNQCLSA-N 0 3 327.384 2.418 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2ccccn2)C1 ZINC000595502777 468879100 /nfs/dbraw/zinc/87/91/00/468879100.db2.gz VXEWSBFCUJSJRK-CQSZACIVSA-N 0 3 328.372 2.031 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2cccnc2)CC1 ZINC000611258901 469211562 /nfs/dbraw/zinc/21/15/62/469211562.db2.gz CISPVIVFVHQZDQ-UHFFFAOYSA-N 0 3 328.372 2.031 10 5 EEBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCC(N4CCCOCC4)CC3)nc2c1 ZINC000596269514 469227097 /nfs/dbraw/zinc/22/70/97/469227097.db2.gz VYJKGUXPSNVIRG-UHFFFAOYSA-N 0 3 345.403 2.162 10 5 EEBEHN CN1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])c4ccncc34)C[C@@H]21 ZINC000599840866 469389128 /nfs/dbraw/zinc/38/91/28/469389128.db2.gz UVECBNZWSBGXHF-BZNIZROVSA-N 0 3 341.371 2.311 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000619255416 469559351 /nfs/dbraw/zinc/55/93/51/469559351.db2.gz XYEBUPIGOKVTKB-GOSISDBHSA-N 0 3 349.431 2.049 10 5 EEBEHN COc1ccc(CC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610178061 469985652 /nfs/dbraw/zinc/98/56/52/469985652.db2.gz MXVSVKNZCSINID-OCCSQVGLSA-N 0 3 335.404 2.087 10 5 EEBEHN CN(C)CCOC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447695880 535893672 /nfs/dbraw/zinc/89/36/72/535893672.db2.gz ZFUSUFJNIFAPSN-UHFFFAOYSA-N 0 3 333.392 2.018 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752016532 577764654 /nfs/dbraw/zinc/76/46/54/577764654.db2.gz YVIUDOQIJGDCHI-BHEFUSTPSA-N 0 3 347.415 2.225 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccncc1 ZINC001691373940 1177979201 /nfs/dbraw/zinc/97/92/01/1177979201.db2.gz KDMPACNMVMOLBH-UHFFFAOYSA-N 0 3 342.399 2.171 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCc1cccnc1 ZINC001691379801 1177986438 /nfs/dbraw/zinc/98/64/38/1177986438.db2.gz VOCFMXLBTZLLKQ-UHFFFAOYSA-N 0 3 342.399 2.171 10 5 EEBEHN C[C@@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC001166143500 1321663593 /nfs/dbraw/zinc/66/35/93/1321663593.db2.gz YOKIWXQMQMHVFF-MRXNPFEDSA-N 0 3 337.807 2.391 10 5 EEBEHN CNc1ccc(C(=O)OC[C@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC001263620691 1322495796 /nfs/dbraw/zinc/49/57/96/1322495796.db2.gz ZVVZPCAXWGXWRI-CQSZACIVSA-N 0 3 349.387 2.047 10 5 EEBEHN Cc1cc(C(=O)N(C)CCCN(C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001570190838 1343030675 /nfs/dbraw/zinc/03/06/75/1343030675.db2.gz ZLXKXYRALXXNLW-UHFFFAOYSA-N 0 3 346.387 2.485 10 5 EEBEHN Cn1cnnc1CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001648374443 1353427673 /nfs/dbraw/zinc/42/76/73/1353427673.db2.gz CCUMRORXZCKHML-UHFFFAOYSA-N 0 3 345.403 2.057 10 5 EEBEHN C[C@@H](NC[C@@H](O)CN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001654747249 1354156605 /nfs/dbraw/zinc/15/66/05/1354156605.db2.gz PSQVOKXFEMWMAW-ZWNOBZJWSA-N 0 3 335.326 2.100 10 5 EEBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)c1cn[nH]c1 ZINC001665904833 1355407814 /nfs/dbraw/zinc/40/78/14/1355407814.db2.gz MRWOKZUWGKZOKK-UHFFFAOYSA-N 0 3 343.387 2.150 10 5 EEBEHN CCN1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001136667130 787551736 /nfs/dbraw/zinc/55/17/36/787551736.db2.gz QOBCJLJPXNNYJY-UHFFFAOYSA-N 0 3 325.796 2.345 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000844442486 789126951 /nfs/dbraw/zinc/12/69/51/789126951.db2.gz YRVRKVDKKPIKCM-DOMZBBRYSA-N 0 3 342.342 2.456 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccnn1C ZINC001460659871 1110320408 /nfs/dbraw/zinc/32/04/08/1110320408.db2.gz MBBVITITZJTNPE-GFCCVEGCSA-N 0 3 331.376 2.316 10 5 EEBEHN CCCC[C@H](C[NH3+])[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193305688 535035281 /nfs/dbraw/zinc/03/52/81/535035281.db2.gz NXGUMXJAKLNMMY-SNVBAGLBSA-N 0 3 349.840 2.352 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC2CCOCC2)CC1 ZINC000183342083 235017941 /nfs/dbraw/zinc/01/79/41/235017941.db2.gz LCNIVFQYFUGBMX-UHFFFAOYSA-N 0 3 333.432 2.447 10 5 EEBEHN O=C(CNCC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037613294 202022624 /nfs/dbraw/zinc/02/26/24/202022624.db2.gz VVCWVZLUFCBCEN-UHFFFAOYSA-N 0 3 328.166 2.295 10 5 EEBEHN C[C@](N)(C(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000037615467 202023691 /nfs/dbraw/zinc/02/36/91/202023691.db2.gz FAXLIFMMIGLETP-GFCCVEGCSA-N 0 3 328.166 2.423 10 5 EEBEHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCOCC1 ZINC000177254624 207313274 /nfs/dbraw/zinc/31/32/74/207313274.db2.gz QJMBBUIDVIOATM-YJBOKZPZSA-N 0 3 349.431 2.016 10 5 EEBEHN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268772848 252224459 /nfs/dbraw/zinc/22/44/59/252224459.db2.gz YPGDBBDSHWRZAI-AWEZNQCLSA-N 0 3 328.372 2.269 10 5 EEBEHN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1N1CCN(C)CC1 ZINC000374322398 154049719 /nfs/dbraw/zinc/04/97/19/154049719.db2.gz CPXWCJAMNNMYGE-HIFRSBDPSA-N 0 3 338.477 2.114 10 5 EEBEHN CN(C)CCn1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000102470669 159264963 /nfs/dbraw/zinc/26/49/63/159264963.db2.gz HXCXXEDTHUMMJJ-UHFFFAOYSA-N 0 3 342.359 2.087 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000342438698 161065547 /nfs/dbraw/zinc/06/55/47/161065547.db2.gz PFSHCQDDIBGLSG-GHMZBOCLSA-N 0 3 341.358 2.357 10 5 EEBEHN Cc1cc(N2CCC[C@@H](NCc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000277728685 269176175 /nfs/dbraw/zinc/17/61/75/269176175.db2.gz OJCNLQDTKQVBHD-OAHLLOKOSA-N 0 3 329.404 2.395 10 5 EEBEHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000421709960 314147844 /nfs/dbraw/zinc/14/78/44/314147844.db2.gz IBNPPPNBPVAJIU-LLVKDONJSA-N 0 3 343.330 2.362 10 5 EEBEHN COc1ccc(OCCn2cc3c(n2)[C@H](N)CCC3)c([N+](=O)[O-])c1 ZINC000564840978 319116504 /nfs/dbraw/zinc/11/65/04/319116504.db2.gz LCUJMTMFBPXKIA-CYBMUJFWSA-N 0 3 332.360 2.215 10 5 EEBEHN CS[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1N(C)C ZINC000564892782 319123774 /nfs/dbraw/zinc/12/37/74/319123774.db2.gz DOTBPTMJEVIBMR-GJZGRUSLSA-N 0 3 336.461 2.350 10 5 EEBEHN CC(C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCN(C)CC1 ZINC000327113812 465048433 /nfs/dbraw/zinc/04/84/33/465048433.db2.gz GFRCAOXDTZGGRH-INIZCTEOSA-N 0 3 346.435 2.155 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000172423568 464076824 /nfs/dbraw/zinc/07/68/24/464076824.db2.gz UJUPCIBUWWTYEV-UHFFFAOYSA-N 0 3 332.404 2.389 10 5 EEBEHN CCOC(=O)c1ccnc(N2C[C@H]3CCCN3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000174924081 464469634 /nfs/dbraw/zinc/46/96/34/464469634.db2.gz HQQBZDMNDWSYML-QWHCGFSZSA-N 0 3 348.403 2.230 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176883049 464873881 /nfs/dbraw/zinc/87/38/81/464873881.db2.gz QRULXDGSFQUWOE-INIZCTEOSA-N 0 3 328.372 2.331 10 5 EEBEHN COc1cc(CNCC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000349293905 466053916 /nfs/dbraw/zinc/05/39/16/466053916.db2.gz GVHYDUJNWFDSKY-GFCCVEGCSA-N 0 3 338.282 2.015 10 5 EEBEHN O=C([C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000349343239 466074955 /nfs/dbraw/zinc/07/49/55/466074955.db2.gz CELMDIBHUGNQSY-HNNXBMFYSA-N 0 3 347.415 2.308 10 5 EEBEHN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCCO1 ZINC000594041077 468469674 /nfs/dbraw/zinc/46/96/74/468469674.db2.gz CEFUHXFRQDXARL-NVXWUHKLSA-N 0 3 347.415 2.421 10 5 EEBEHN COc1cc(CN2CCCc3[nH]ncc3C2)c([N+](=O)[O-])cc1OC ZINC000597258516 468499443 /nfs/dbraw/zinc/49/94/43/468499443.db2.gz OWFDMHJCZJLYPX-UHFFFAOYSA-N 0 3 332.360 2.284 10 5 EEBEHN CC[C@@H]1C[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453578021 467498617 /nfs/dbraw/zinc/49/86/17/467498617.db2.gz OUEYXJCIWRLCAC-HUUCEWRRSA-N 0 3 334.420 2.317 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000450345941 467831438 /nfs/dbraw/zinc/83/14/38/467831438.db2.gz GPLJVSNDLOCBRO-WBVHZDCISA-N 0 3 342.399 2.285 10 5 EEBEHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN2CCC1CC2 ZINC000450478004 467856603 /nfs/dbraw/zinc/85/66/03/467856603.db2.gz YVDZUZBPUIYSDK-UHFFFAOYSA-N 0 3 328.372 2.436 10 5 EEBEHN CC(C)(C)CC(C)(C)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000450879236 467925366 /nfs/dbraw/zinc/92/53/66/467925366.db2.gz NLKQMFATNQKHOF-UHFFFAOYSA-N 0 3 336.440 2.304 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000514604685 467943212 /nfs/dbraw/zinc/94/32/12/467943212.db2.gz HIRPRPVRJGHPOI-QGZVFWFLSA-N 0 3 340.383 2.091 10 5 EEBEHN CC(C)[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000558577664 468689618 /nfs/dbraw/zinc/68/96/18/468689618.db2.gz ZAOLENRRITVFOV-INIZCTEOSA-N 0 3 332.404 2.321 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597856853 468694989 /nfs/dbraw/zinc/69/49/89/468694989.db2.gz BISSMKMDEPFXBM-LLVKDONJSA-N 0 3 331.376 2.074 10 5 EEBEHN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597947603 468722324 /nfs/dbraw/zinc/72/23/24/468722324.db2.gz ZTYJUTAFCZSHDA-AWEZNQCLSA-N 0 3 332.404 2.335 10 5 EEBEHN C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1CCO ZINC000601175873 468771703 /nfs/dbraw/zinc/77/17/03/468771703.db2.gz RCBQNSPCFURTSG-STQMWFEESA-N 0 3 330.388 2.034 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C2CC2)C(C)(C)CO)c1 ZINC000593031356 468845766 /nfs/dbraw/zinc/84/57/66/468845766.db2.gz DQNFNPXBWKTJPW-OAHLLOKOSA-N 0 3 336.388 2.268 10 5 EEBEHN CN1CC=C(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601408421 468862115 /nfs/dbraw/zinc/86/21/15/468862115.db2.gz AWRVLVWMZQYFNS-UHFFFAOYSA-N 0 3 329.400 2.395 10 5 EEBEHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[N@@H+](C)CC(C)C ZINC000593617287 469061294 /nfs/dbraw/zinc/06/12/94/469061294.db2.gz ZXZOHLRUECWYQU-UHFFFAOYSA-N 0 3 343.449 2.159 10 5 EEBEHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[N@H+](C)CC(C)C ZINC000593617287 469061298 /nfs/dbraw/zinc/06/12/98/469061298.db2.gz ZXZOHLRUECWYQU-UHFFFAOYSA-N 0 3 343.449 2.159 10 5 EEBEHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN1C1CCCC1 ZINC000598978196 469074110 /nfs/dbraw/zinc/07/41/10/469074110.db2.gz DDPMGTOGJRVQIN-INIZCTEOSA-N 0 3 332.404 2.411 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@H](O)CN2CCCCC2)ccc2cnccc21 ZINC000599019886 469091300 /nfs/dbraw/zinc/09/13/00/469091300.db2.gz NWOBEBBWRBTIRJ-AWEZNQCLSA-N 0 3 330.388 2.402 10 5 EEBEHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000532392628 485543962 /nfs/dbraw/zinc/54/39/62/485543962.db2.gz RJKPSSANFXKGBR-CYBMUJFWSA-N 0 3 328.372 2.240 10 5 EEBEHN CN1C[C@@H]2CCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000425058829 536488460 /nfs/dbraw/zinc/48/84/60/536488460.db2.gz PSRZKHNOZQIPCC-MEDUHNTESA-N 0 3 328.372 2.242 10 5 EEBEHN C[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235372 688123558 /nfs/dbraw/zinc/12/35/58/688123558.db2.gz ULMJFIUOKCRCIY-CJNGLKHVSA-N 0 3 330.388 2.312 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000925329395 692753481 /nfs/dbraw/zinc/75/34/81/692753481.db2.gz ANVVCLHXQXEKQH-IUODEOHRSA-N 0 3 332.404 2.361 10 5 EEBEHN CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CCN(C)C1 ZINC000898586640 693386250 /nfs/dbraw/zinc/38/62/50/693386250.db2.gz HSKMDCKVMMRURN-CYBMUJFWSA-N 0 3 342.399 2.496 10 5 EEBEHN CCn1cccc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001268625359 1183549358 /nfs/dbraw/zinc/54/93/58/1183549358.db2.gz NVUAOVQODWWICI-ONEGZZNKSA-N 0 3 342.399 2.492 10 5 EEBEHN CC(COC(=O)Cc1c(F)ccc(Br)c1F)[N+](=O)[O-] ZINC000813102085 1201095749 /nfs/dbraw/zinc/09/57/49/1201095749.db2.gz ASQAIZRRNODOIJ-LURJTMIESA-N 0 3 338.104 2.478 10 5 EEBEHN CC(COC(=O)c1ccccc1I)[N+](=O)[O-] ZINC000813101864 1201095833 /nfs/dbraw/zinc/09/58/33/1201095833.db2.gz KHXJMVUSTQGPLX-SSDOTTSWSA-N 0 3 335.097 2.113 10 5 EEBEHN COc1ccc(-c2noc(CCCC(=O)OCC(C)[N+](=O)[O-])n2)cc1 ZINC000813110428 1201122845 /nfs/dbraw/zinc/12/28/45/1201122845.db2.gz ALSNAYAXWLTZEM-NSHDSACASA-N 0 3 349.343 2.276 10 5 EEBEHN CN1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000929226013 1206457686 /nfs/dbraw/zinc/45/76/86/1206457686.db2.gz WHEZBUZTAQOADT-UHFFFAOYSA-N 0 3 325.796 2.345 10 5 EEBEHN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2CC[N+](=O)[O-])C1 ZINC000930582892 1206568542 /nfs/dbraw/zinc/56/85/42/1206568542.db2.gz KUBWYHHHQZEPJM-KGLIPLIRSA-N 0 3 327.425 2.375 10 5 EEBEHN COc1cnccc1N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000795288347 1212429846 /nfs/dbraw/zinc/42/98/46/1212429846.db2.gz SEYVMLLMDGIZJW-UHFFFAOYSA-N 0 3 332.335 2.464 10 5 EEBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000859955307 1294724950 /nfs/dbraw/zinc/72/49/50/1294724950.db2.gz UGHSHEUIFWGOCI-HZMVEIRTSA-N 0 3 348.399 2.292 10 5 EEBEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000861351331 1295360394 /nfs/dbraw/zinc/36/03/94/1295360394.db2.gz IDQTVPFWZDYESC-YOEHRIQHSA-N 0 3 336.388 2.098 10 5 EEBEHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC(N[C@@H]2CCOC2)C1 ZINC001559290672 1342500488 /nfs/dbraw/zinc/50/04/88/1342500488.db2.gz XRLSTAOORFEXNP-SNVBAGLBSA-N 0 3 331.294 2.181 10 5 EEBEHN Cc1noc(C[C@@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001620623304 1344576156 /nfs/dbraw/zinc/57/61/56/1344576156.db2.gz RSQXCQPKGUCJNR-BBRMVZONSA-N 0 3 346.387 2.274 10 5 EEBEHN Cc1ccc([C@H](C)NC[C@@H](O)CN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001653035469 1354111379 /nfs/dbraw/zinc/11/13/79/1354111379.db2.gz QOGSPABXDFEIRN-WCQYABFASA-N 0 3 349.353 2.409 10 5 EEBEHN O=C(CNC1([C@H]2CCCO2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001655887038 1354188989 /nfs/dbraw/zinc/18/89/89/1354188989.db2.gz WPZWKZZKFAHUQN-MRXNPFEDSA-N 0 3 345.399 2.175 10 5 EEBEHN CCN(CCCNC(=O)c1n[nH]cc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001660586449 1354494378 /nfs/dbraw/zinc/49/43/78/1354494378.db2.gz NSBMYIPVPLOWEE-UHFFFAOYSA-N 0 3 349.366 2.099 10 5 EEBEHN CCCC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001699881177 1405548494 /nfs/dbraw/zinc/54/84/94/1405548494.db2.gz KPOGAGCXXFQILI-UHFFFAOYSA-N 0 3 335.404 2.150 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000163856994 789028528 /nfs/dbraw/zinc/02/85/28/789028528.db2.gz FYSPCYOQTUYXBV-LLVKDONJSA-N 0 3 347.412 2.051 10 5 EEBEHN NC(=O)c1ccc(CNC2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001175632036 798172642 /nfs/dbraw/zinc/17/26/42/798172642.db2.gz XANYQZOBMYIPFZ-OAHLLOKOSA-N 0 3 333.388 2.275 10 5 EEBEHN CCN(CCCNC(=O)c1c[nH]nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001566559586 1125733559 /nfs/dbraw/zinc/73/35/59/1125733559.db2.gz LRKSQEVBRAZCTE-UHFFFAOYSA-N 0 3 345.403 2.268 10 5 EEBEHN COc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001440748756 1093994806 /nfs/dbraw/zinc/99/48/06/1093994806.db2.gz VUDVOYZAGJUXLZ-UHFFFAOYSA-N 0 3 344.371 2.500 10 5 EEBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001473602455 1110577638 /nfs/dbraw/zinc/57/76/38/1110577638.db2.gz RCCQHRXOFJHNCL-QWRGUYRKSA-N 0 3 330.344 2.347 10 5 EEBEHN COc1ccc(NC(=O)[C@@H](C)N[C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451238155 243044202 /nfs/dbraw/zinc/04/42/02/243044202.db2.gz CRUAHGZLYFAULC-YGRLFVJLSA-N 0 3 337.376 2.088 10 5 EEBEHN CC[C@@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000343250072 161116811 /nfs/dbraw/zinc/11/68/11/161116811.db2.gz LWFWMRNTLIUONA-MFKMUULPSA-N 0 3 347.375 2.223 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000368320524 166087774 /nfs/dbraw/zinc/08/77/74/166087774.db2.gz YQTPMVVUXWSSJN-LPHOPBHVSA-N 0 3 346.475 2.361 10 5 EEBEHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CN1CCO ZINC000419009376 274364723 /nfs/dbraw/zinc/36/47/23/274364723.db2.gz VXPFMMUKZQTKEU-OLZOCXBDSA-N 0 3 330.388 2.034 10 5 EEBEHN COc1ccc(NC(=O)CCN2CCCSCC2)c([N+](=O)[O-])c1 ZINC000089985015 462760565 /nfs/dbraw/zinc/76/05/65/462760565.db2.gz LHVPWSGTXVCWER-UHFFFAOYSA-N 0 3 339.417 2.371 10 5 EEBEHN O=[N+]([O-])c1cnc(NCCC2CCN(c3ccncc3)CC2)nc1 ZINC000095940445 463110223 /nfs/dbraw/zinc/11/02/23/463110223.db2.gz YXWGYTIMKWFYGO-UHFFFAOYSA-N 0 3 328.376 2.498 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000170856465 463724084 /nfs/dbraw/zinc/72/40/84/463724084.db2.gz OROGESKUFNODSF-HNNXBMFYSA-N 0 3 349.434 2.317 10 5 EEBEHN COCCN(C)CCCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185055569 463743130 /nfs/dbraw/zinc/74/31/30/463743130.db2.gz CTSZRFIKBMLEBO-BUHFOSPRSA-N 0 3 335.404 2.083 10 5 EEBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000262254672 463983443 /nfs/dbraw/zinc/98/34/43/463983443.db2.gz QMOHYJOFWOZSDB-DHSIGJKJSA-N 0 3 347.415 2.086 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1CNc1cnn(CCN(C)C)c1 ZINC000236862275 464231744 /nfs/dbraw/zinc/23/17/44/464231744.db2.gz UMZPVOAQXASSCX-UHFFFAOYSA-N 0 3 333.392 2.364 10 5 EEBEHN CCN1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094626 468441959 /nfs/dbraw/zinc/44/19/59/468441959.db2.gz OZTNQKVLQZTBOX-UHFFFAOYSA-N 0 3 341.799 2.436 10 5 EEBEHN Nc1c(NC(=O)NCCN2CCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095486 468442117 /nfs/dbraw/zinc/44/21/17/468442117.db2.gz XAMXQAWNASTBNS-UHFFFAOYSA-N 0 3 341.799 2.438 10 5 EEBEHN COc1ccc(OCCN2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362449177 465748302 /nfs/dbraw/zinc/74/83/02/465748302.db2.gz HDZPLZDMBAGZDZ-UKRRQHHQSA-N 0 3 336.388 2.483 10 5 EEBEHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C2CC2)C1 ZINC000347018721 466325794 /nfs/dbraw/zinc/32/57/94/466325794.db2.gz WMNJPFJDUQHZKI-INIZCTEOSA-N 0 3 342.399 2.245 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341074251 466561820 /nfs/dbraw/zinc/56/18/20/466561820.db2.gz WQICWTBLTDWNHJ-ZIAGYGMSSA-N 0 3 335.404 2.353 10 5 EEBEHN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000412196725 467037085 /nfs/dbraw/zinc/03/70/85/467037085.db2.gz URFMNXKJPAVSIO-YESZJQIVSA-N 0 3 329.400 2.393 10 5 EEBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000449357533 467633103 /nfs/dbraw/zinc/63/31/03/467633103.db2.gz AXCLKJLRFMUAND-WYTCUBLDSA-N 0 3 331.416 2.403 10 5 EEBEHN COc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600474497 468568792 /nfs/dbraw/zinc/56/87/92/468568792.db2.gz XGUQTEQVENUZGH-CQSZACIVSA-N 0 3 333.388 2.350 10 5 EEBEHN CC(C)(NC(=O)N[C@H](CN)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000594525983 468616175 /nfs/dbraw/zinc/61/61/75/468616175.db2.gz ZJUPXVIURGOLPJ-SNVBAGLBSA-N 0 3 334.298 2.019 10 5 EEBEHN CC(C)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178270 468646980 /nfs/dbraw/zinc/64/69/80/468646980.db2.gz SBOAMHMHVRPJHV-KRWDZBQOSA-N 0 3 347.415 2.476 10 5 EEBEHN C[C@@H]1CN(CCCCNc2ncc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000601127486 468753091 /nfs/dbraw/zinc/75/30/91/468753091.db2.gz HMOYNKDENTZXDQ-VXGBXAGGSA-N 0 3 326.372 2.430 10 5 EEBEHN O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000601131421 468755004 /nfs/dbraw/zinc/75/50/04/468755004.db2.gz KBEOZMAISLEHBL-AWEZNQCLSA-N 0 3 338.383 2.210 10 5 EEBEHN CCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCN(C)C1 ZINC000592829702 468798594 /nfs/dbraw/zinc/79/85/94/468798594.db2.gz VTBLNCPINSMPTL-LLVKDONJSA-N 0 3 341.358 2.358 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000593022165 468842514 /nfs/dbraw/zinc/84/25/14/468842514.db2.gz CLWDKBKQDBHLAX-DOTOQJQBSA-N 0 3 334.372 2.429 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000593030952 468845400 /nfs/dbraw/zinc/84/54/00/468845400.db2.gz TULDVQHLFDHUJV-YUELXQCFSA-N 0 3 334.372 2.285 10 5 EEBEHN CCS(=O)(=O)C[C@@H](C)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561784391 468909930 /nfs/dbraw/zinc/90/99/30/468909930.db2.gz ZVOLAGYQKADIIP-LLVKDONJSA-N 0 3 339.417 2.031 10 5 EEBEHN COc1cccc([C@]2(C)CCN(CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000595763480 468995926 /nfs/dbraw/zinc/99/59/26/468995926.db2.gz FFTUZINVTCKAJI-QGZVFWFLSA-N 0 3 330.388 2.464 10 5 EEBEHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000610733130 469053474 /nfs/dbraw/zinc/05/34/74/469053474.db2.gz CDXOMJDZEYXXMF-QGZVFWFLSA-N 0 3 347.415 2.312 10 5 EEBEHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000573635981 469175789 /nfs/dbraw/zinc/17/57/89/469175789.db2.gz BIIYVBWKHPXHHI-RISCZKNCSA-N 0 3 332.360 2.442 10 5 EEBEHN Cn1c2cc(NC[C@@H]3CCN3C(C)(C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596309479 469239597 /nfs/dbraw/zinc/23/95/97/469239597.db2.gz SEEVDBRVFJCKIL-NSHDSACASA-N 0 3 347.419 2.070 10 5 EEBEHN COCCN1CCC[C@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000755264223 577822663 /nfs/dbraw/zinc/82/26/63/577822663.db2.gz VXQVGUYTFIOTSU-GRNBYLDVSA-N 0 3 347.415 2.225 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000866921336 686613890 /nfs/dbraw/zinc/61/38/90/686613890.db2.gz QRSFTGLKCDMSDT-QWRGUYRKSA-N 0 3 347.462 2.116 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)Cc1ccoc1 ZINC001483461957 1190487426 /nfs/dbraw/zinc/48/74/26/1190487426.db2.gz MSNZBWDEECNKAW-UHFFFAOYSA-N 0 3 337.401 2.430 10 5 EEBEHN CC(F)(F)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001273032496 1194339059 /nfs/dbraw/zinc/33/90/59/1194339059.db2.gz STNGVPWBLSLZTQ-UHFFFAOYSA-N 0 3 327.331 2.379 10 5 EEBEHN CC(COC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)[N+](=O)[O-] ZINC000813106655 1201116403 /nfs/dbraw/zinc/11/64/03/1201116403.db2.gz FPEFRFBIASRWKA-MGPQQGTHSA-N 0 3 336.388 2.118 10 5 EEBEHN Cc1ccc(I)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108641 1201120561 /nfs/dbraw/zinc/12/05/61/1201120561.db2.gz JCQIEPIVTZTUJR-QMMMGPOBSA-N 0 3 349.124 2.422 10 5 EEBEHN CC[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])N(C)C ZINC000881863943 1201778262 /nfs/dbraw/zinc/77/82/62/1201778262.db2.gz JIKOCSLWMWNHQC-LLVKDONJSA-N 0 3 344.209 2.314 10 5 EEBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924527862 1205991340 /nfs/dbraw/zinc/99/13/40/1205991340.db2.gz CJUAWNWVHDXVQK-OCCSQVGLSA-N 0 3 346.387 2.062 10 5 EEBEHN C[C@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC001166143498 1321663822 /nfs/dbraw/zinc/66/38/22/1321663822.db2.gz YOKIWXQMQMHVFF-INIZCTEOSA-N 0 3 337.807 2.391 10 5 EEBEHN Cc1noc(C[C@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001620623305 1344576335 /nfs/dbraw/zinc/57/63/35/1344576335.db2.gz RSQXCQPKGUCJNR-CJNGLKHVSA-N 0 3 346.387 2.274 10 5 EEBEHN COc1ccc(NC(=O)CCN[C@H](C)c2ccnn2C)c([N+](=O)[O-])c1 ZINC001654568394 1354152203 /nfs/dbraw/zinc/15/22/03/1354152203.db2.gz PXIGIWROEAEGPK-LLVKDONJSA-N 0 3 347.375 2.016 10 5 EEBEHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001129186447 784609205 /nfs/dbraw/zinc/60/92/05/784609205.db2.gz YESSFWOTJIKNHS-JMSVASOKSA-N 0 3 335.429 2.238 10 5 EEBEHN CC(C)N(CCCNC(=O)c1ccn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001493851489 1108735788 /nfs/dbraw/zinc/73/57/88/1108735788.db2.gz KELNPAFQUIVQTP-UHFFFAOYSA-N 0 3 345.403 2.348 10 5 EEBEHN CN1CC[C@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408039672 283156780 /nfs/dbraw/zinc/15/67/80/283156780.db2.gz XDJCSRFKVLCTNX-HUUCEWRRSA-N 0 3 325.796 2.153 10 5 EEBEHN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1N1CCN(C)CC1 ZINC000374322263 154050046 /nfs/dbraw/zinc/05/00/46/154050046.db2.gz CPXWCJAMNNMYGE-DZGCQCFKSA-N 0 3 338.477 2.114 10 5 EEBEHN CN1CCC(Oc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000343138397 161107353 /nfs/dbraw/zinc/10/73/53/161107353.db2.gz HJZBJKPGVQQBBA-UHFFFAOYSA-N 0 3 342.399 2.497 10 5 EEBEHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000574837243 320061959 /nfs/dbraw/zinc/06/19/59/320061959.db2.gz TYJAMJPKKMJDAD-HNNXBMFYSA-N 0 3 332.335 2.162 10 5 EEBEHN C[C@@H]1CCN(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000576956038 320219804 /nfs/dbraw/zinc/21/98/04/320219804.db2.gz VMBZHRNYHOKCKX-LLVKDONJSA-N 0 3 325.796 2.249 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000026333644 463158922 /nfs/dbraw/zinc/15/89/22/463158922.db2.gz AEYKIPAMTCXZPA-UHFFFAOYSA-N 0 3 333.388 2.025 10 5 EEBEHN C[C@H](CSC(C)(C)C)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123448075 463342403 /nfs/dbraw/zinc/34/24/03/463342403.db2.gz NROZEUHEKJURGE-BYCMXARLSA-N 0 3 342.461 2.499 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC000080717877 463351142 /nfs/dbraw/zinc/35/11/42/463351142.db2.gz HVOMLECDSKEOSD-YHWZYXNKSA-N 0 3 333.388 2.349 10 5 EEBEHN CCN1CCC[C@H]1CN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000177700168 463769494 /nfs/dbraw/zinc/76/94/94/463769494.db2.gz RXFWVTKNMVTNSX-DLBZAZTESA-N 0 3 346.431 2.116 10 5 EEBEHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CC2)CC1 ZINC000172348223 464059908 /nfs/dbraw/zinc/05/99/08/464059908.db2.gz OFJYPHDRMMYUQG-ZDUSSCGKSA-N 0 3 332.404 2.092 10 5 EEBEHN O=[N+]([O-])c1ccc(CCN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000195509680 464060643 /nfs/dbraw/zinc/06/06/43/464060643.db2.gz NRZZZXNHDGKCNF-UHFFFAOYSA-N 0 3 344.415 2.206 10 5 EEBEHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000180839804 464405531 /nfs/dbraw/zinc/40/55/31/464405531.db2.gz NLSRCDDKAKKVBH-LBPRGKRZSA-N 0 3 347.371 2.125 10 5 EEBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247390753 464673421 /nfs/dbraw/zinc/67/34/21/464673421.db2.gz QKQFMPVWAAWUKJ-UKRRQHHQSA-N 0 3 334.420 2.465 10 5 EEBEHN COc1cc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000339762235 465496435 /nfs/dbraw/zinc/49/64/35/465496435.db2.gz TYKVJBOSUQTRLJ-SJORKVTESA-N 0 3 336.388 2.013 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000299043220 465573790 /nfs/dbraw/zinc/57/37/90/465573790.db2.gz WIJIWEXXBWKXKP-HNNXBMFYSA-N 0 3 342.399 2.080 10 5 EEBEHN COC(=O)CC1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000338323443 466026653 /nfs/dbraw/zinc/02/66/53/466026653.db2.gz CCPBOOVVFMUUAI-UHFFFAOYSA-N 0 3 349.387 2.307 10 5 EEBEHN CN(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccccc1 ZINC000301825056 466040757 /nfs/dbraw/zinc/04/07/57/466040757.db2.gz DKWJSUHCCPIXDR-AWEZNQCLSA-N 0 3 340.387 2.222 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000347350062 466585148 /nfs/dbraw/zinc/58/51/48/466585148.db2.gz QRLXFVNJVSOYHX-SJLPKXTDSA-N 0 3 343.383 2.470 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCN(C(C)C)CC2)c1 ZINC000589494604 468156711 /nfs/dbraw/zinc/15/67/11/468156711.db2.gz SLHXNDLUDQNYCV-UHFFFAOYSA-N 0 3 335.404 2.298 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC000590045953 468207291 /nfs/dbraw/zinc/20/72/91/468207291.db2.gz ZDCKLRSTMQPZBC-RNCFNFMXSA-N 0 3 343.305 2.390 10 5 EEBEHN COc1c(C)cccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594576851 468625403 /nfs/dbraw/zinc/62/54/03/468625403.db2.gz BVXPOURZSZNXON-INIZCTEOSA-N 0 3 346.383 2.441 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2(F)CCC2)cc1 ZINC000583377435 468688675 /nfs/dbraw/zinc/68/86/75/468688675.db2.gz XXXXDWBXUAQSMG-UHFFFAOYSA-N 0 3 330.381 2.240 10 5 EEBEHN COCCN1CCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033599 468746713 /nfs/dbraw/zinc/74/67/13/468746713.db2.gz GZRVPXGNAHHAIR-DZGCQCFKSA-N 0 3 337.420 2.365 10 5 EEBEHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(N2CCCOCC2)CC1 ZINC000601229203 468790019 /nfs/dbraw/zinc/79/00/19/468790019.db2.gz ITISGVRLOOFWGW-UHFFFAOYSA-N 0 3 348.403 2.313 10 5 EEBEHN O=C(C[C@H]1NCc2ccccc21)NCCc1ccccc1[N+](=O)[O-] ZINC000595249994 468792674 /nfs/dbraw/zinc/79/26/74/468792674.db2.gz OMVHQPKHWLZMIR-MRXNPFEDSA-N 0 3 325.368 2.488 10 5 EEBEHN O=C(C[C@@H]1NCc2ccccc21)NCCc1ccccc1[N+](=O)[O-] ZINC000595249992 468792709 /nfs/dbraw/zinc/79/27/09/468792709.db2.gz OMVHQPKHWLZMIR-INIZCTEOSA-N 0 3 325.368 2.488 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)N1 ZINC000598531633 468902900 /nfs/dbraw/zinc/90/29/00/468902900.db2.gz NFYQMAUHYANPBY-WDEREUQCSA-N 0 3 344.371 2.061 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(C[C@@H]2CCOC2)CC1 ZINC000593467632 468992772 /nfs/dbraw/zinc/99/27/72/468992772.db2.gz MLZGHXGLNJRNOE-AWEZNQCLSA-N 0 3 342.399 2.302 10 5 EEBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](C(F)F)C1 ZINC000611180003 469184117 /nfs/dbraw/zinc/18/41/17/469184117.db2.gz PNDDFQJUUBDZFU-JTQLQIEISA-N 0 3 341.314 2.480 10 5 EEBEHN Cc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596464161 469275415 /nfs/dbraw/zinc/27/54/15/469275415.db2.gz GZXCETKOEDLBLX-NEPJUHHUSA-N 0 3 349.412 2.251 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552618 469291411 /nfs/dbraw/zinc/29/14/11/469291411.db2.gz GFHVDYJRRUZJST-MCIONIFRSA-N 0 3 338.429 2.304 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC3CCOCC3)CC2)n1 ZINC000611616857 469293317 /nfs/dbraw/zinc/29/33/17/469293317.db2.gz RMBOLTNMLIIFPQ-UHFFFAOYSA-N 0 3 334.420 2.155 10 5 EEBEHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC1(C)OCCCO1 ZINC000754124003 577800828 /nfs/dbraw/zinc/80/08/28/577800828.db2.gz RXYMHYBHOZIEME-LBPRGKRZSA-N 0 3 337.376 2.055 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC001266629563 1177025346 /nfs/dbraw/zinc/02/53/46/1177025346.db2.gz JNSCXHYFTFOXAC-FPLPWBNLSA-N 0 3 329.356 2.449 10 5 EEBEHN CC(COC(=O)c1ccccc1I)[N+](=O)[O-] ZINC000813101865 1201095699 /nfs/dbraw/zinc/09/56/99/1201095699.db2.gz KHXJMVUSTQGPLX-ZETCQYMHSA-N 0 3 335.097 2.113 10 5 EEBEHN CC(COC(=O)c1cnn(-c2ccncc2)c1C(F)F)[N+](=O)[O-] ZINC000813105943 1201098692 /nfs/dbraw/zinc/09/86/92/1201098692.db2.gz VVRMIUMSBLTBRU-MRVPVSSYSA-N 0 3 326.259 2.027 10 5 EEBEHN O=C(OCCc1ccc([N+](=O)[O-])cc1)C1CCCN(C2CC2)C1=O ZINC000924061844 1205932474 /nfs/dbraw/zinc/93/24/74/1205932474.db2.gz FBKOPOOIWLFUKY-HNNXBMFYSA-N 0 3 332.356 2.082 10 5 EEBEHN Cc1cc(N2CC(N[C@H]3CCOC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001187739814 1279634367 /nfs/dbraw/zinc/63/43/67/1279634367.db2.gz KLLDGFSENMKEOZ-JTQLQIEISA-N 0 3 345.321 2.489 10 5 EEBEHN CCC1(N2CCOCC2)CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000858823589 1294237332 /nfs/dbraw/zinc/23/73/32/1294237332.db2.gz ZCCSOLYZXQYVAU-UHFFFAOYSA-N 0 3 334.420 2.258 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)[nH]1 ZINC001317632762 1332338757 /nfs/dbraw/zinc/33/87/57/1332338757.db2.gz LIKKQKCTPXHWFB-UHFFFAOYSA-N 0 3 336.779 2.438 10 5 EEBEHN Cc1cc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)ncn1 ZINC001322471223 1333268203 /nfs/dbraw/zinc/26/82/03/1333268203.db2.gz NINBMYISLAULIF-UHFFFAOYSA-N 0 3 349.416 2.007 10 5 EEBEHN COC(=O)[C@H]1[C@@H](CNC(C)(C)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC001332704190 1335887227 /nfs/dbraw/zinc/88/72/27/1335887227.db2.gz DMFAENTYTTXBOQ-VXGBXAGGSA-N 0 3 328.315 2.474 10 5 EEBEHN O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC(N[C@H]2CCOC2)C1 ZINC001458666448 1109928131 /nfs/dbraw/zinc/92/81/31/1109928131.db2.gz KCERHTWSNGUWCF-JTQLQIEISA-N 0 3 348.790 2.364 10 5 EEBEHN CCOCCOC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001459307579 1110138990 /nfs/dbraw/zinc/13/89/90/1110138990.db2.gz DLFGDFFXCWLIHW-UHFFFAOYSA-N 0 3 338.404 2.491 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Cc2nnn[n-]2)CC1 ZINC001473764709 1110579958 /nfs/dbraw/zinc/57/99/58/1110579958.db2.gz RAHRZLOGQHNNEV-GFCCVEGCSA-N 0 3 330.392 2.432 10 5 EEBEHN CNc1c(C(=O)OC[C@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001520068351 1119124679 /nfs/dbraw/zinc/12/46/79/1119124679.db2.gz GIIYMYOQKAQMMF-CYBMUJFWSA-N 0 3 349.387 2.047 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000450549091 292017371 /nfs/dbraw/zinc/01/73/71/292017371.db2.gz VEBSFSNVASMXIT-GFCCVEGCSA-N 0 3 333.388 2.302 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000107523410 159332740 /nfs/dbraw/zinc/33/27/40/159332740.db2.gz OOBHQTSGSPMVDY-AWEZNQCLSA-N 0 3 332.404 2.389 10 5 EEBEHN CCCC[N@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341967254 161028151 /nfs/dbraw/zinc/02/81/51/161028151.db2.gz ZJZOWHIGILOMSA-SNVBAGLBSA-N 0 3 335.451 2.055 10 5 EEBEHN CCCC[N@@H+](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341967254 161028152 /nfs/dbraw/zinc/02/81/52/161028152.db2.gz ZJZOWHIGILOMSA-SNVBAGLBSA-N 0 3 335.451 2.055 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1CC(C)C ZINC000160529346 311355367 /nfs/dbraw/zinc/35/53/67/311355367.db2.gz DLLYKVOWTMJHRX-CQSZACIVSA-N 0 3 335.404 2.454 10 5 EEBEHN CCO[C@H]1C[C@](CO)(NCc2ccc([N+](=O)[O-])c(OC)c2)C1(C)C ZINC000444803972 315326309 /nfs/dbraw/zinc/32/63/09/315326309.db2.gz ONXRUXHMDVQMSM-DOTOQJQBSA-N 0 3 338.404 2.259 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155404180 462887063 /nfs/dbraw/zinc/88/70/63/462887063.db2.gz DIRZJLILMSZBLS-GXTWGEPZSA-N 0 3 335.404 2.452 10 5 EEBEHN CCN1CCC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000112075930 463690073 /nfs/dbraw/zinc/69/00/73/463690073.db2.gz CQBXVXPREOQLJM-CQSZACIVSA-N 0 3 332.404 2.383 10 5 EEBEHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183200920 464820918 /nfs/dbraw/zinc/82/09/18/464820918.db2.gz DGEUGTHINCHQEK-NOZJJQNGSA-N 0 3 327.768 2.344 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000580076714 468463037 /nfs/dbraw/zinc/46/30/37/468463037.db2.gz DWYFCJSXLIDAPR-QGZVFWFLSA-N 0 3 325.368 2.222 10 5 EEBEHN Cc1cc(N2CC[C@H](OCCN3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301744446 466022100 /nfs/dbraw/zinc/02/21/00/466022100.db2.gz NFEQLXRULKAUMN-HNNXBMFYSA-N 0 3 334.420 2.379 10 5 EEBEHN CC1(C)CCCN1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457052150 467740364 /nfs/dbraw/zinc/74/03/64/467740364.db2.gz INRUHPLHNAOXRI-UHFFFAOYSA-N 0 3 341.358 2.406 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000450345938 467831491 /nfs/dbraw/zinc/83/14/91/467831491.db2.gz GPLJVSNDLOCBRO-DOTOQJQBSA-N 0 3 342.399 2.285 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000590442055 468257467 /nfs/dbraw/zinc/25/74/67/468257467.db2.gz GBRBUWZZNYUOCI-ZANVPECISA-N 0 3 343.305 2.390 10 5 EEBEHN Cc1cc(OCC(=O)NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600468604 468565973 /nfs/dbraw/zinc/56/59/73/468565973.db2.gz FILINWYDTBQWCL-HNNXBMFYSA-N 0 3 347.415 2.415 10 5 EEBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@](C)(CO)OC ZINC000594510812 468613132 /nfs/dbraw/zinc/61/31/32/468613132.db2.gz LGTZLGOIKMPGGX-DOMZBBRYSA-N 0 3 328.434 2.453 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597856874 468695110 /nfs/dbraw/zinc/69/51/10/468695110.db2.gz BXXNRCCSGBDPGP-ZDUSSCGKSA-N 0 3 335.404 2.353 10 5 EEBEHN O=[N+]([O-])c1cccc(CNCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 ZINC000594973043 468735212 /nfs/dbraw/zinc/73/52/12/468735212.db2.gz BYDNQUGJOIMVOD-LJQANCHMSA-N 0 3 341.411 2.451 10 5 EEBEHN CCn1nc(C)c([N+](=O)[O-])c1Nc1cnn(C2CCN(C)CC2)c1 ZINC000601227542 468789025 /nfs/dbraw/zinc/78/90/25/468789025.db2.gz UPJZFWODOFAHRE-UHFFFAOYSA-N 0 3 333.396 2.326 10 5 EEBEHN COCC1(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCCCC1 ZINC000595909452 469076444 /nfs/dbraw/zinc/07/64/44/469076444.db2.gz OCDWJYYBVTWVQT-UHFFFAOYSA-N 0 3 347.415 2.423 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC[C@]2(O)CCOC2)o1 ZINC000593669800 469085740 /nfs/dbraw/zinc/08/57/40/469085740.db2.gz BCPVLHZTUCQYOO-KRWDZBQOSA-N 0 3 332.356 2.486 10 5 EEBEHN CN(C)CCn1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cn1 ZINC000608878905 469885033 /nfs/dbraw/zinc/88/50/33/469885033.db2.gz LGEZBXGWJNEGFW-UHFFFAOYSA-N 0 3 342.359 2.087 10 5 EEBEHN CN1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609731889 469957974 /nfs/dbraw/zinc/95/79/74/469957974.db2.gz MPOQHLOQKFZOFR-LBPRGKRZSA-N 0 3 341.795 2.228 10 5 EEBEHN CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000610135708 469983480 /nfs/dbraw/zinc/98/34/80/469983480.db2.gz IWISXNDDPHFQLT-GHMZBOCLSA-N 0 3 347.462 2.150 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000928448799 683197429 /nfs/dbraw/zinc/19/74/29/683197429.db2.gz OTHRJRAXXRDTFE-PRHODGIISA-N 0 3 342.193 2.180 10 5 EEBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)c1ccon1 ZINC001481889731 1182898178 /nfs/dbraw/zinc/89/81/78/1182898178.db2.gz GLQVLMLASICCQD-UHFFFAOYSA-N 0 3 344.371 2.415 10 5 EEBEHN CC1(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCOCC2)CC1 ZINC001271038977 1185834330 /nfs/dbraw/zinc/83/43/30/1185834330.db2.gz WDIMHGUCTQBIRL-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000881985401 1201798185 /nfs/dbraw/zinc/79/81/85/1201798185.db2.gz MFHCKYPYEHMACQ-HNNXBMFYSA-N 0 3 346.431 2.014 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855166581 1293097120 /nfs/dbraw/zinc/09/71/20/1293097120.db2.gz MBYORWUNPAPGHK-NSHDSACASA-N 0 3 339.367 2.102 10 5 EEBEHN Cc1cc(C(=O)OC[C@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC001263620399 1322495739 /nfs/dbraw/zinc/49/57/39/1322495739.db2.gz SYVPHFRFVWGPLU-OAHLLOKOSA-N 0 3 334.372 2.313 10 5 EEBEHN CN1CCCC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001648347397 1353425953 /nfs/dbraw/zinc/42/59/53/1353425953.db2.gz QWXPRLWYKVGFKA-CQSZACIVSA-N 0 3 343.387 2.199 10 5 EEBEHN CCCC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001699881655 1405547964 /nfs/dbraw/zinc/54/79/64/1405547964.db2.gz PRTMLYBCCBLXLC-UHFFFAOYSA-N 0 3 335.404 2.150 10 5 EEBEHN C[NH+](C)[C@H](CNC(=O)c1[n-]nc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001135625371 784119091 /nfs/dbraw/zinc/11/90/91/784119091.db2.gz ZYXPFXJQHJDZLB-SSDOTTSWSA-N 0 3 343.796 2.066 10 5 EEBEHN CN1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001178709999 799599740 /nfs/dbraw/zinc/59/97/40/799599740.db2.gz UNLHKOREINFDSF-CYBMUJFWSA-N 0 3 325.796 2.247 10 5 EEBEHN C[C@H](NCCNC(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788631434 807615793 /nfs/dbraw/zinc/61/57/93/807615793.db2.gz MENPRDIUCIWQEM-LBPRGKRZSA-N 0 3 328.372 2.258 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCN2C2CCCCC2)n1 ZINC001461625354 1110346212 /nfs/dbraw/zinc/34/62/12/1110346212.db2.gz BKNAYCMODPXLOP-CQSZACIVSA-N 0 3 332.404 2.435 10 5 EEBEHN CN(C)C[C@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807192 282132923 /nfs/dbraw/zinc/13/29/23/282132923.db2.gz GRMRPQKKUXAFQC-QZTJIDSGSA-N 0 3 329.400 2.196 10 5 EEBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN3CCC[C@@H]3C2)c1 ZINC000179550726 233155855 /nfs/dbraw/zinc/15/58/55/233155855.db2.gz TUYTXKIVSORRGV-CYBMUJFWSA-N 0 3 327.331 2.476 10 5 EEBEHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCC[C@H]2C1 ZINC000246761589 160292743 /nfs/dbraw/zinc/29/27/43/160292743.db2.gz YFBJILHNEXVLDH-WFASDCNBSA-N 0 3 343.387 2.486 10 5 EEBEHN O=[N+]([O-])c1cn(C[C@@H](O)CN2CCc3ccccc3C2)nc1C1CC1 ZINC000352439523 162135962 /nfs/dbraw/zinc/13/59/62/162135962.db2.gz WSVWXYCAZHJMOP-INIZCTEOSA-N 0 3 342.399 2.088 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)cn1 ZINC000355722725 163281443 /nfs/dbraw/zinc/28/14/43/163281443.db2.gz RDDBZLBRNDPPJC-KRWDZBQOSA-N 0 3 328.372 2.039 10 5 EEBEHN CCc1ccc(OCC(=O)NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000359679729 164151096 /nfs/dbraw/zinc/15/10/96/164151096.db2.gz HGFOCDRDFCEDPF-UHFFFAOYSA-N 0 3 347.415 2.279 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H](C)C[NH+](C)C)c1 ZINC000292724418 275470541 /nfs/dbraw/zinc/47/05/41/275470541.db2.gz SBOAFZMOOLNNTK-SNVBAGLBSA-N 0 3 349.840 2.033 10 5 EEBEHN CC(C)N(CCN1CCCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345889155 279434344 /nfs/dbraw/zinc/43/43/44/279434344.db2.gz QFPUFNDEBABDKA-UHFFFAOYSA-N 0 3 337.424 2.055 10 5 EEBEHN CN(C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532137559 317844429 /nfs/dbraw/zinc/84/44/29/317844429.db2.gz JPXXYTIVQLBRKA-UHFFFAOYSA-N 0 3 330.344 2.183 10 5 EEBEHN O=[N+]([O-])c1cc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)cs1 ZINC000282965911 463718084 /nfs/dbraw/zinc/71/80/84/463718084.db2.gz YSDJOYUPUNQDPO-TZMCWYRMSA-N 0 3 326.418 2.314 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCC[C@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000283793582 464011327 /nfs/dbraw/zinc/01/13/27/464011327.db2.gz SKSHUNNVBSSXGT-JSGCOSHPSA-N 0 3 348.403 2.005 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000569105571 468440015 /nfs/dbraw/zinc/44/00/15/468440015.db2.gz SLUJQCMGROPBAU-MRXNPFEDSA-N 0 3 341.367 2.058 10 5 EEBEHN CN1CC[C@](O)(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253535 466573466 /nfs/dbraw/zinc/57/34/66/466573466.db2.gz OBAHSKOWLGKFGA-OALUTQOASA-N 0 3 341.411 2.340 10 5 EEBEHN CCCCN1CCCC[C@@H]1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427472446 467159643 /nfs/dbraw/zinc/15/96/43/467159643.db2.gz QMMFDDCRHHUVDQ-CYBMUJFWSA-N 0 3 337.424 2.196 10 5 EEBEHN C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000418990513 467160703 /nfs/dbraw/zinc/16/07/03/467160703.db2.gz CUKMQNJYVPNKEU-OLZOCXBDSA-N 0 3 330.388 2.034 10 5 EEBEHN COCCN(CCN(C)C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000567944138 468242388 /nfs/dbraw/zinc/24/23/88/468242388.db2.gz DFKAMKMWUMMNPY-UHFFFAOYSA-N 0 3 343.811 2.207 10 5 EEBEHN Cn1cnc(CCCNCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000592373178 468685281 /nfs/dbraw/zinc/68/52/81/468685281.db2.gz BLNUAIYZNJBVMU-UHFFFAOYSA-N 0 3 341.318 2.047 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)[C@]1(O)CCOC1 ZINC000592375560 468685417 /nfs/dbraw/zinc/68/54/17/468685417.db2.gz UFICITDWSYLGFQ-KRWDZBQOSA-N 0 3 338.404 2.261 10 5 EEBEHN O=C1N(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000595105168 468760125 /nfs/dbraw/zinc/76/01/25/468760125.db2.gz QRJYJAPGHRDLSQ-XJKSGUPXSA-N 0 3 344.415 2.462 10 5 EEBEHN CC[C@@H](NC(=O)c1cnn(CCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000601281262 468809246 /nfs/dbraw/zinc/80/92/46/468809246.db2.gz MHKHLTLIMNJUNQ-MRXNPFEDSA-N 0 3 345.403 2.234 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000595382094 468833690 /nfs/dbraw/zinc/83/36/90/468833690.db2.gz OYLAJBJZOUNCOG-UHFFFAOYSA-N 0 3 343.449 2.135 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595568632 468904764 /nfs/dbraw/zinc/90/47/64/468904764.db2.gz RSDIQGVOUKKCRP-HNNXBMFYSA-N 0 3 334.420 2.309 10 5 EEBEHN NC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000598914035 469048122 /nfs/dbraw/zinc/04/81/22/469048122.db2.gz WCQGVZUPGOPRRB-MRVPVSSYSA-N 0 3 326.662 2.259 10 5 EEBEHN COCCN1CCC[C@H](NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752059414 577765398 /nfs/dbraw/zinc/76/53/98/577765398.db2.gz ZBJOJBJNCQSGQZ-HECSCLNYSA-N 0 3 347.415 2.225 10 5 EEBEHN CC(COC(=O)c1cccc(I)c1)[N+](=O)[O-] ZINC000813105182 675682683 /nfs/dbraw/zinc/68/26/83/675682683.db2.gz KDVNZYHPYJCLJL-SSDOTTSWSA-N 0 3 335.097 2.113 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCOCC1 ZINC001482915822 1187840889 /nfs/dbraw/zinc/84/08/89/1187840889.db2.gz OKGXTWJXYBXWGQ-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cnc(C)o1 ZINC001273418358 1198749249 /nfs/dbraw/zinc/74/92/49/1198749249.db2.gz AAWKOFLUKOTDOV-UHFFFAOYSA-N 0 3 346.387 2.072 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000814146967 1199318976 /nfs/dbraw/zinc/31/89/76/1199318976.db2.gz VUUZMHSEVYXJHB-LKFCYVNXSA-N 0 3 341.770 2.092 10 5 EEBEHN CC1(C)OCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830664905 1248376491 /nfs/dbraw/zinc/37/64/91/1248376491.db2.gz XCKMEXMNRUCQES-GFCCVEGCSA-N 0 3 327.768 2.344 10 5 EEBEHN Cc1ncccc1C(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001321220493 1333047422 /nfs/dbraw/zinc/04/74/22/1333047422.db2.gz LJPFZHCIVXSEJC-IHWYPQMZSA-N 0 3 340.383 2.374 10 5 EEBEHN C[C@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CN2CCC1CC2 ZINC000912378875 788132519 /nfs/dbraw/zinc/13/25/19/788132519.db2.gz KYBRZJUAJAZBPO-KRWDZBQOSA-N 0 3 328.372 2.290 10 5 EEBEHN CCC1(C(=O)N[C@H]2CC[C@H](NCc3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC001495466272 1101177395 /nfs/dbraw/zinc/17/73/95/1101177395.db2.gz FSENGCPXFWDMQT-JOCQHMNTSA-N 0 3 349.435 2.036 10 5 EEBEHN COc1ccc(NC(=O)CNC2([C@@H]3CCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001460947978 1110329209 /nfs/dbraw/zinc/32/92/09/1110329209.db2.gz PXDIZSIXPYHHQT-HNNXBMFYSA-N 0 3 349.387 2.233 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(Cc2nnn[n-]2)CC1 ZINC001473764710 1110579943 /nfs/dbraw/zinc/57/99/43/1110579943.db2.gz RAHRZLOGQHNNEV-LBPRGKRZSA-N 0 3 330.392 2.432 10 5 EEBEHN COC(=O)CCCNCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000037416452 213145511 /nfs/dbraw/zinc/14/55/11/213145511.db2.gz ABIOQVMUIMSAHR-UHFFFAOYSA-N 0 3 331.166 2.400 10 5 EEBEHN C[C@@H]1[C@@H](CO)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000425967438 241189494 /nfs/dbraw/zinc/18/94/94/241189494.db2.gz OHSMZBSOGWFCRG-TZMCWYRMSA-N 0 3 330.388 2.198 10 5 EEBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000246982770 243345997 /nfs/dbraw/zinc/34/59/97/243345997.db2.gz DZJNXNLGSQQXCB-DOMZBBRYSA-N 0 3 344.415 2.478 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCN(C4CC4)CC3)o2)cc1 ZINC000195338591 160211414 /nfs/dbraw/zinc/21/14/14/160211414.db2.gz HBHSHCZLXBHJPO-UHFFFAOYSA-N 0 3 343.387 2.315 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352430801 162132783 /nfs/dbraw/zinc/13/27/83/162132783.db2.gz IWZRVRZDOGLFBX-VXGBXAGGSA-N 0 3 349.387 2.316 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cn[nH]c1 ZINC000275161141 269099624 /nfs/dbraw/zinc/09/96/24/269099624.db2.gz IYFAQBYPULUMSE-SNVBAGLBSA-N 0 3 333.348 2.006 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000338743985 274004320 /nfs/dbraw/zinc/00/43/20/274004320.db2.gz JWBANOIUYFKTGE-KRWDZBQOSA-N 0 3 333.388 2.304 10 5 EEBEHN CCN1CCN(C[C@H](C)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278422210 274353893 /nfs/dbraw/zinc/35/38/93/274353893.db2.gz IPXDFRBISQAQSU-CYBMUJFWSA-N 0 3 346.435 2.157 10 5 EEBEHN CCO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000090554586 276364303 /nfs/dbraw/zinc/36/43/03/276364303.db2.gz SMEUUTOAMLOLON-HOTGVXAUSA-N 0 3 349.431 2.426 10 5 EEBEHN CC(C)N(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)CO ZINC000421402199 314097117 /nfs/dbraw/zinc/09/71/17/314097117.db2.gz DGJLAMXOWWUZOX-HNNXBMFYSA-N 0 3 334.372 2.418 10 5 EEBEHN CS[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1N(C)C ZINC000564892784 319123722 /nfs/dbraw/zinc/12/37/22/319123722.db2.gz DOTBPTMJEVIBMR-HUUCEWRRSA-N 0 3 336.461 2.350 10 5 EEBEHN CC[NH+](CC)[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032068787 463363775 /nfs/dbraw/zinc/36/37/75/463363775.db2.gz LLVSADSOAVWLOF-SNVBAGLBSA-N 0 3 349.840 2.257 10 5 EEBEHN COc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188041623 464185996 /nfs/dbraw/zinc/18/59/96/464185996.db2.gz ZEKOTXKTSXXAFB-RISCZKNCSA-N 0 3 335.404 2.467 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294953875 464661000 /nfs/dbraw/zinc/66/10/00/464661000.db2.gz OEIHJODCLMMZAZ-JTQLQIEISA-N 0 3 331.294 2.438 10 5 EEBEHN CC(C)N1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000176836086 464863066 /nfs/dbraw/zinc/86/30/66/464863066.db2.gz QKQFMPVWAAWUKJ-ZFWWWQNUSA-N 0 3 334.420 2.465 10 5 EEBEHN CN1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094156 468441511 /nfs/dbraw/zinc/44/15/11/468441511.db2.gz MBQDSCBQNZXOMG-UHFFFAOYSA-N 0 3 327.772 2.046 10 5 EEBEHN C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN1C ZINC000597103983 468444113 /nfs/dbraw/zinc/44/41/13/468444113.db2.gz OPEOSWQUBVFERR-SCZZXKLOSA-N 0 3 341.799 2.435 10 5 EEBEHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1cccs1 ZINC000353320399 465794660 /nfs/dbraw/zinc/79/46/60/465794660.db2.gz WWANVNTVHUIVSN-YGRLFVJLSA-N 0 3 349.416 2.192 10 5 EEBEHN CNC(=O)C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000361644192 466171967 /nfs/dbraw/zinc/17/19/67/466171967.db2.gz PDIQXHDDAZXTBL-KRWDZBQOSA-N 0 3 343.383 2.441 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361776316 466279539 /nfs/dbraw/zinc/27/95/39/466279539.db2.gz LITLMBZYTUAWIW-GASCZTMLSA-N 0 3 348.447 2.410 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000357932044 466329220 /nfs/dbraw/zinc/32/92/20/466329220.db2.gz CFXCVEOVXKMETQ-GFCCVEGCSA-N 0 3 333.388 2.374 10 5 EEBEHN CNc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000570281806 468616723 /nfs/dbraw/zinc/61/67/23/468616723.db2.gz LXUBDOCGKKRPLR-QGZVFWFLSA-N 0 3 340.383 2.335 10 5 EEBEHN CNC(=O)[C@]1(C(F)(F)F)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592183833 468648052 /nfs/dbraw/zinc/64/80/52/468648052.db2.gz FXWSZJLDRMJIMS-AWEZNQCLSA-N 0 3 345.321 2.138 10 5 EEBEHN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597945030 468720105 /nfs/dbraw/zinc/72/01/05/468720105.db2.gz GRZLEVRLQJNZIS-HNNXBMFYSA-N 0 3 346.431 2.361 10 5 EEBEHN O=C1N(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000595105164 468760197 /nfs/dbraw/zinc/76/01/97/468760197.db2.gz QRJYJAPGHRDLSQ-CJNGLKHVSA-N 0 3 344.415 2.462 10 5 EEBEHN C[C@H]1C[C@@H](N2CCCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165037 468766955 /nfs/dbraw/zinc/76/69/55/468766955.db2.gz JDHDFVJWGTWKGB-VHSXEESVSA-N 0 3 347.341 2.410 10 5 EEBEHN CN1CC[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000560404487 468800565 /nfs/dbraw/zinc/80/05/65/468800565.db2.gz CFCRTVQAVGBLPQ-MRVPVSSYSA-N 0 3 328.166 2.248 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593114612 468876024 /nfs/dbraw/zinc/87/60/24/468876024.db2.gz DQDKOAFXYNJUOX-GXTWGEPZSA-N 0 3 328.315 2.066 10 5 EEBEHN CCOc1cc(CN2CC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607302 468921027 /nfs/dbraw/zinc/92/10/27/468921027.db2.gz LAXGRQGAVVKKNV-CQSZACIVSA-N 0 3 331.376 2.107 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595660295 468943995 /nfs/dbraw/zinc/94/39/95/468943995.db2.gz DQPQEJREXHEHAK-ZDUSSCGKSA-N 0 3 349.435 2.179 10 5 EEBEHN COCC1(C2CC2)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000601966056 469117052 /nfs/dbraw/zinc/11/70/52/469117052.db2.gz XXVPPOAJFWKMPF-UHFFFAOYSA-N 0 3 333.388 2.282 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]([C@H]3CCCO3)C1)OCCO2 ZINC000895842862 684740788 /nfs/dbraw/zinc/74/07/88/684740788.db2.gz GDXPPLYFXCMIKD-SWLSCSKDSA-N 0 3 334.372 2.367 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 ZINC001268526360 1183180472 /nfs/dbraw/zinc/18/04/72/1183180472.db2.gz VUSIMXWCBHKPKU-OWOJBTEDSA-N 0 3 344.346 2.205 10 5 EEBEHN COCC(=O)NC1(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001486485805 1193999023 /nfs/dbraw/zinc/99/90/23/1193999023.db2.gz REPAAYMNENUYJY-UHFFFAOYSA-N 0 3 347.415 2.102 10 5 EEBEHN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102436 1201097677 /nfs/dbraw/zinc/09/76/77/1201097677.db2.gz FCLUOOXIWLQFES-ZENOOKHLSA-N 0 3 348.399 2.194 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000928437150 1206383678 /nfs/dbraw/zinc/38/36/78/1206383678.db2.gz HAAYUPPVTTYTEM-GZMMTYOYSA-N 0 3 331.294 2.436 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C)on1 ZINC001668357270 1355928602 /nfs/dbraw/zinc/92/86/02/1355928602.db2.gz HKBXLSGCJDMPOH-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN N[C@@H]1CCCc2cn(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC000818618895 785303886 /nfs/dbraw/zinc/30/38/86/785303886.db2.gz USVZHQZVSOEHKN-GFCCVEGCSA-N 0 3 349.778 2.420 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccnn1C ZINC001460659873 1110320592 /nfs/dbraw/zinc/32/05/92/1110320592.db2.gz MBBVITITZJTNPE-LBPRGKRZSA-N 0 3 331.376 2.316 10 5 EEBEHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)N(C)Cc1ccccc1 ZINC001465155907 1110412079 /nfs/dbraw/zinc/41/20/79/1110412079.db2.gz CLOMDAQBMAUDGW-CYBMUJFWSA-N 0 3 342.399 2.427 10 5 EEBEHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000066835952 215085020 /nfs/dbraw/zinc/08/50/20/215085020.db2.gz ZVBYDVLFKRUVQH-ZDUSSCGKSA-N 0 3 349.387 2.117 10 5 EEBEHN COC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181675015 234279320 /nfs/dbraw/zinc/27/93/20/234279320.db2.gz NOSOYAADEVMPHP-FUHWJXTLSA-N 0 3 346.383 2.312 10 5 EEBEHN CN(C(=O)CN1CCC(c2ccn[nH]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000195505304 160214676 /nfs/dbraw/zinc/21/46/76/160214676.db2.gz XMAYRWWVEMFVES-UHFFFAOYSA-N 0 3 343.387 2.160 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000344777205 161245035 /nfs/dbraw/zinc/24/50/35/161245035.db2.gz PUELRZAQDKLOJX-OAHLLOKOSA-N 0 3 347.415 2.367 10 5 EEBEHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2C)CCN(C)CC1 ZINC000355474764 163202643 /nfs/dbraw/zinc/20/26/43/163202643.db2.gz VVWIDQOEQYMRBT-UHFFFAOYSA-N 0 3 337.445 2.460 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000368326419 166088541 /nfs/dbraw/zinc/08/85/41/166088541.db2.gz GEQIZPKDILSDIF-GOSISDBHSA-N 0 3 332.448 2.115 10 5 EEBEHN Cc1nn(C[C@H]2CN(Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000289479741 275119897 /nfs/dbraw/zinc/11/98/97/275119897.db2.gz XUUGZKOXUQXYLK-MRXNPFEDSA-N 0 3 330.388 2.391 10 5 EEBEHN CCN1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@H]1C ZINC000349589631 276242901 /nfs/dbraw/zinc/24/29/01/276242901.db2.gz ZFLKDOMPADJMDC-CHWSQXEVSA-N 0 3 344.419 2.309 10 5 EEBEHN CNc1nccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000516582007 448444216 /nfs/dbraw/zinc/44/42/16/448444216.db2.gz LFKVRRRFJVWNEL-ZDUSSCGKSA-N 0 3 347.419 2.122 10 5 EEBEHN C[C@](CO)(NCCOc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000347721587 465188044 /nfs/dbraw/zinc/18/80/44/465188044.db2.gz OZUICHDUKNVSJG-QGZVFWFLSA-N 0 3 332.356 2.177 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342220930 465303389 /nfs/dbraw/zinc/30/33/89/465303389.db2.gz JGMWDLRGWYGKLV-TXEJJXNPSA-N 0 3 345.403 2.918 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600343 468283948 /nfs/dbraw/zinc/28/39/48/468283948.db2.gz OEVAIJGUPFXMHV-LLVKDONJSA-N 0 3 330.392 2.544 10 5 EEBEHN CN(C)CCNC(=O)c1cccc2nc3ccc4nccnc4c3nc21 ZINC000027849006 463205745 /nfs/dbraw/zinc/20/57/45/463205745.db2.gz SPFMBZYWUGHTKJ-UHFFFAOYSA-N 0 3 346.394 2.018 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCN1C ZINC000160421963 463336926 /nfs/dbraw/zinc/33/69/26/463336926.db2.gz HLNMNABBMQUREG-NXEZZACHSA-N 0 3 327.331 2.428 10 5 EEBEHN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(CCn2cccn2)CC1 ZINC000105863506 463480273 /nfs/dbraw/zinc/48/02/73/463480273.db2.gz OCFJIYUUUKTFQY-UHFFFAOYSA-N 0 3 349.460 2.449 10 5 EEBEHN Cc1cccc(NC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000084229690 463586798 /nfs/dbraw/zinc/58/67/98/463586798.db2.gz NGMNJGKUPYRFLH-UHFFFAOYSA-N 0 3 330.392 2.071 10 5 EEBEHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCCO1 ZINC000185191059 463774856 /nfs/dbraw/zinc/77/48/56/463774856.db2.gz CTFDEUMHLIFMLL-GFCCVEGCSA-N 0 3 325.340 2.173 10 5 EEBEHN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)cc1SC ZINC000171479980 463871961 /nfs/dbraw/zinc/87/19/61/463871961.db2.gz YGSOGDHUUYEVDN-JTQLQIEISA-N 0 3 339.417 2.149 10 5 EEBEHN NC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)(F)F ZINC000594450182 468593426 /nfs/dbraw/zinc/59/34/26/468593426.db2.gz JMMDBMRXTKUPBE-JTQLQIEISA-N 0 3 333.291 2.429 10 5 EEBEHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCN(C2CC2)C1 ZINC000353326621 465798616 /nfs/dbraw/zinc/79/86/16/465798616.db2.gz CLIUEXHYQVAMIQ-OAHLLOKOSA-N 0 3 333.388 2.130 10 5 EEBEHN CN(C(=O)CNC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353677434 466059791 /nfs/dbraw/zinc/05/97/91/466059791.db2.gz QSZOYCRELRUKAL-UHFFFAOYSA-N 0 3 335.404 2.233 10 5 EEBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000597210052 468480249 /nfs/dbraw/zinc/48/02/49/468480249.db2.gz TZMXEJIZSOYJDP-IPYPFGDCSA-N 0 3 340.445 2.471 10 5 EEBEHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000370539484 466915247 /nfs/dbraw/zinc/91/52/47/466915247.db2.gz SMSZUDJYGMRNAS-UHFFFAOYSA-N 0 3 340.383 2.384 10 5 EEBEHN CC(C)c1n[nH]c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000433773356 467352566 /nfs/dbraw/zinc/35/25/66/467352566.db2.gz GFCHUFCPOGBITE-VXGBXAGGSA-N 0 3 337.424 2.434 10 5 EEBEHN C[C@@H]1CCN(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000594359903 468562258 /nfs/dbraw/zinc/56/22/58/468562258.db2.gz RDDJMAUDJMFQKT-GFCCVEGCSA-N 0 3 330.388 2.077 10 5 EEBEHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN)C(F)(F)F ZINC000594523389 468615262 /nfs/dbraw/zinc/61/52/62/468615262.db2.gz AYRLQWVFTXAZCN-GFCCVEGCSA-N 0 3 348.325 2.404 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](O)[C@H]2CCc2ccccc2)n1 ZINC000592166851 468644862 /nfs/dbraw/zinc/64/48/62/468644862.db2.gz JSPZQIPAXVOMQK-IAGOWNOFSA-N 0 3 344.415 2.249 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000601131423 468754805 /nfs/dbraw/zinc/75/48/05/468754805.db2.gz KBPPLOSGJVVXCN-NXEZZACHSA-N 0 3 347.341 2.268 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258651 468795311 /nfs/dbraw/zinc/79/53/11/468795311.db2.gz VBYYYQZSBVJFCG-MRXNPFEDSA-N 0 3 342.355 2.211 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000593460368 468989809 /nfs/dbraw/zinc/98/98/09/468989809.db2.gz AKLPGTNVMCBPOV-QZTJIDSGSA-N 0 3 342.399 2.178 10 5 EEBEHN COc1cccc([C@@]2(C)CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000595765469 468997904 /nfs/dbraw/zinc/99/79/04/468997904.db2.gz LIOLANPMXVQYGR-KRWDZBQOSA-N 0 3 330.388 2.464 10 5 EEBEHN C[C@@H]1CC[C@@](CO)(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187909797 534203753 /nfs/dbraw/zinc/20/37/53/534203753.db2.gz QOFGSXMMVXXDEG-SJKOYZFVSA-N 0 3 336.388 2.444 10 5 EEBEHN COC1CCN(CCNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752529966 577772249 /nfs/dbraw/zinc/77/22/49/577772249.db2.gz UKVPOUUVSCQJQP-BUHFOSPRSA-N 0 3 347.415 2.225 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)C(C)(C)C ZINC001482913894 1187840199 /nfs/dbraw/zinc/84/01/99/1187840199.db2.gz FKSXMFYQLJNKTP-UHFFFAOYSA-N 0 3 335.404 2.148 10 5 EEBEHN COc1cc(CN(C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001626078875 1194324076 /nfs/dbraw/zinc/32/40/76/1194324076.db2.gz HUKPJKRPEQSVHU-UHFFFAOYSA-N 0 3 344.371 2.500 10 5 EEBEHN C[C@H](NC[C@H]1CCCN1CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076083 1198040366 /nfs/dbraw/zinc/04/03/66/1198040366.db2.gz XCSCLGHTPPNETH-QWHCGFSZSA-N 0 3 325.384 2.231 10 5 EEBEHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1COCCN1C ZINC000872090168 1198044839 /nfs/dbraw/zinc/04/48/39/1198044839.db2.gz MYFLAOKSUBVWON-WCQYABFASA-N 0 3 325.434 2.298 10 5 EEBEHN CC(COC(=O)COc1ccccc1OCC(F)(F)F)[N+](=O)[O-] ZINC000813107635 1201117757 /nfs/dbraw/zinc/11/77/57/1201117757.db2.gz POADPWZYDCLYCZ-VIFPVBQESA-N 0 3 337.250 2.215 10 5 EEBEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813109601 1201121506 /nfs/dbraw/zinc/12/15/06/1201121506.db2.gz MZAHOSYYPZLZMJ-CBAPKCEASA-N 0 3 347.293 2.117 10 5 EEBEHN CC[C@H](NC(=O)c1ccnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000900967537 1235058399 /nfs/dbraw/zinc/05/83/99/1235058399.db2.gz LNHCMUAIGWAYDL-HNNXBMFYSA-N 0 3 345.403 2.234 10 5 EEBEHN COCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859226740 1294354835 /nfs/dbraw/zinc/35/48/35/1294354835.db2.gz UXWMLNVQCGODNP-UHFFFAOYSA-N 0 3 345.399 2.398 10 5 EEBEHN CN(CCCNC(=O)c1ccn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265824888 1323404521 /nfs/dbraw/zinc/40/45/21/1323404521.db2.gz JEWHBGIKPIWSRJ-UHFFFAOYSA-N 0 3 330.388 2.185 10 5 EEBEHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001651332519 1354049132 /nfs/dbraw/zinc/04/91/32/1354049132.db2.gz ZQCKAAMCPILMNY-GXTWGEPZSA-N 0 3 342.403 2.290 10 5 EEBEHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2cc[nH]c2c1 ZINC001659905527 1354389189 /nfs/dbraw/zinc/38/91/89/1354389189.db2.gz YZPSWHXUVFPSAH-UHFFFAOYSA-N 0 3 326.356 2.370 10 5 EEBEHN CN(CCCNC(=O)c1ccc(F)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC001660108039 1354397892 /nfs/dbraw/zinc/39/78/92/1354397892.db2.gz AXGDZEJLNGIWRD-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1=COCCC1 ZINC001497359085 1102379274 /nfs/dbraw/zinc/37/92/74/1102379274.db2.gz RECNEUWSUZEQTC-UHFFFAOYSA-N 0 3 333.388 2.227 10 5 EEBEHN Cn1cncc1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001460962836 1110330219 /nfs/dbraw/zinc/33/02/19/1110330219.db2.gz IEPVNJMPIKHOJB-KRWDZBQOSA-N 0 3 330.388 2.241 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630336 282116313 /nfs/dbraw/zinc/11/63/13/282116313.db2.gz AJVJXZFGEGXEOA-CQSZACIVSA-N 0 3 343.387 2.284 10 5 EEBEHN O=C(NCCN1CCCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000040418455 213301250 /nfs/dbraw/zinc/30/12/50/213301250.db2.gz JUEXVUQSSCYPJY-UHFFFAOYSA-N 0 3 342.193 2.183 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000183471441 235096560 /nfs/dbraw/zinc/09/65/60/235096560.db2.gz BXJBGVUMPGDEFO-OAHLLOKOSA-N 0 3 327.388 2.452 10 5 EEBEHN Cn1nccc1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137020142 223676718 /nfs/dbraw/zinc/67/67/18/223676718.db2.gz IUEKSMKPTUWMRA-KRWDZBQOSA-N 0 3 330.388 2.241 10 5 EEBEHN Cc1ccc(NCCCNC(=O)NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000119732877 142375132 /nfs/dbraw/zinc/37/51/32/142375132.db2.gz OCXDOWADLLLNEG-AWEZNQCLSA-N 0 3 349.435 2.099 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)CC3CCCC3)C2)nc1 ZINC000190878367 152228660 /nfs/dbraw/zinc/22/86/60/152228660.db2.gz SOJRVJJEUKDSET-GOEBONIOSA-N 0 3 334.420 2.417 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000343051803 161098309 /nfs/dbraw/zinc/09/83/09/161098309.db2.gz FWAREEHUGPQXOI-UHFFFAOYSA-N 0 3 344.371 2.491 10 5 EEBEHN CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000360040975 164222475 /nfs/dbraw/zinc/22/24/75/164222475.db2.gz VRCBZPCJHSYTQF-UHFFFAOYSA-N 0 3 347.462 2.057 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000122984123 222194496 /nfs/dbraw/zinc/19/44/96/222194496.db2.gz YKSXARXKUJGAQL-RYUDHWBXSA-N 0 3 339.367 2.054 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1C ZINC000123163523 222227830 /nfs/dbraw/zinc/22/78/30/222227830.db2.gz SPZZYOWRJROEQC-CMPLNLGQSA-N 0 3 336.348 2.058 10 5 EEBEHN CCN1CC[C@H]2OCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000293315736 293179325 /nfs/dbraw/zinc/17/93/25/293179325.db2.gz QOTBZQPVQSHGOP-JKSUJKDBSA-N 0 3 341.358 2.168 10 5 EEBEHN CC(C)(NC(=O)N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418776341 313904308 /nfs/dbraw/zinc/90/43/08/313904308.db2.gz XCSJDVMLEXHJOX-GFCCVEGCSA-N 0 3 342.346 2.126 10 5 EEBEHN C[C@@](CO)(NCCOc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000347738189 465199384 /nfs/dbraw/zinc/19/93/84/465199384.db2.gz OCPZMBUCIZYLON-KRWDZBQOSA-N 0 3 332.356 2.177 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590767522 468333675 /nfs/dbraw/zinc/33/36/75/468333675.db2.gz OVGDAHQYADHSND-NOZJJQNGSA-N 0 3 343.305 2.390 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000078524419 463124877 /nfs/dbraw/zinc/12/48/77/463124877.db2.gz WPPAHTAJVCFSKH-AWEZNQCLSA-N 0 3 330.388 2.036 10 5 EEBEHN Cn1ccnc1CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137047424 463275449 /nfs/dbraw/zinc/27/54/49/463275449.db2.gz CZGXXVWOPVPXSM-QGZVFWFLSA-N 0 3 344.415 2.316 10 5 EEBEHN CCN1CC[C@H]2OCCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@H]2C1 ZINC000292865934 464369429 /nfs/dbraw/zinc/36/94/29/464369429.db2.gz SQGCMTCBWODWQV-DLBZAZTESA-N 0 3 342.399 2.442 10 5 EEBEHN CCOC(=O)c1ccnc(N2C[C@@H]3CCCN3C[C@H]2CC)c1[N+](=O)[O-] ZINC000246417885 464581981 /nfs/dbraw/zinc/58/19/81/464581981.db2.gz HQQBZDMNDWSYML-OLZOCXBDSA-N 0 3 348.403 2.230 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000265919127 464733406 /nfs/dbraw/zinc/73/34/06/464733406.db2.gz BRQBOXUXZWSWRU-DZGCQCFKSA-N 0 3 344.415 2.491 10 5 EEBEHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432373 465320421 /nfs/dbraw/zinc/32/04/21/465320421.db2.gz FQVQNMYCRIBNAA-MEBBXXQBSA-N 0 3 341.358 2.214 10 5 EEBEHN COc1ccc(OCCN2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362449179 465747936 /nfs/dbraw/zinc/74/79/36/465747936.db2.gz HDZPLZDMBAGZDZ-ZFWWWQNUSA-N 0 3 336.388 2.483 10 5 EEBEHN C[C@H](CN1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301093099 465899404 /nfs/dbraw/zinc/89/94/04/465899404.db2.gz LXBLFPYXJYUZDM-LLVKDONJSA-N 0 3 334.376 2.212 10 5 EEBEHN CCCCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000338398679 466091765 /nfs/dbraw/zinc/09/17/65/466091765.db2.gz OXQVBQZZZGJLLF-GFCCVEGCSA-N 0 3 335.408 2.155 10 5 EEBEHN Cc1ccc([C@H](C)NCCn2nc3ccccn3c2=O)cc1[N+](=O)[O-] ZINC000358099587 466454257 /nfs/dbraw/zinc/45/42/57/466454257.db2.gz NVWCBNQUOLOCCO-ZDUSSCGKSA-N 0 3 341.371 2.063 10 5 EEBEHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510244 468612719 /nfs/dbraw/zinc/61/27/19/468612719.db2.gz KRQKBGJMRSTNHK-UPJWGTAASA-N 0 3 325.384 2.321 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN1C ZINC000601119687 468748959 /nfs/dbraw/zinc/74/89/59/468748959.db2.gz VPGXXZXOMFFWQJ-BDAKNGLRSA-N 0 3 335.330 2.266 10 5 EEBEHN CC[C@H](CO)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601120754 468750021 /nfs/dbraw/zinc/75/00/21/468750021.db2.gz NFTXIQVAWCUSJB-CYBMUJFWSA-N 0 3 330.388 2.036 10 5 EEBEHN COCc1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000595066486 468752547 /nfs/dbraw/zinc/75/25/47/468752547.db2.gz HUOBGEPBNOHCGN-OCCSQVGLSA-N 0 3 345.403 2.360 10 5 EEBEHN CCN1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000601173654 468770869 /nfs/dbraw/zinc/77/08/69/468770869.db2.gz GEIACTWYVHTYTJ-VIFPVBQESA-N 0 3 335.330 2.268 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)[C@@H]2C1 ZINC000601596257 468931434 /nfs/dbraw/zinc/93/14/34/468931434.db2.gz VZFUWTRJITZGMV-XJKSGUPXSA-N 0 3 329.400 2.179 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CNc3ccccc3C1)OCCO2 ZINC000593314326 468935818 /nfs/dbraw/zinc/93/58/18/468935818.db2.gz CYIFLKKOBZNRHZ-AWEZNQCLSA-N 0 3 341.367 2.492 10 5 EEBEHN C[C@H](O)CN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000593468668 468993935 /nfs/dbraw/zinc/99/39/35/468993935.db2.gz DDVVAHOTVPYUBH-OLZOCXBDSA-N 0 3 330.388 2.034 10 5 EEBEHN COC(=O)[C@H]1C[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595847736 469040539 /nfs/dbraw/zinc/04/05/39/469040539.db2.gz DXUFSGZMHNXKKC-XBXGTLAGSA-N 0 3 349.387 2.115 10 5 EEBEHN CCc1cc(N2CC[C@@H](F)[C@H](N)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596029833 469122858 /nfs/dbraw/zinc/12/28/58/469122858.db2.gz CDXVEIHPSYBWAP-HUUCEWRRSA-N 0 3 345.378 2.490 10 5 EEBEHN C[C@H](O)[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596068555 469138540 /nfs/dbraw/zinc/13/85/40/469138540.db2.gz YYSKEVNRORURJF-FDQGKXFDSA-N 0 3 346.383 2.046 10 5 EEBEHN CCN1CCN(CCNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596077222 469143249 /nfs/dbraw/zinc/14/32/49/469143249.db2.gz RDSFTLZEURSIDS-UHFFFAOYSA-N 0 3 342.827 2.306 10 5 EEBEHN COCCOc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731679109 577116078 /nfs/dbraw/zinc/11/60/78/577116078.db2.gz WFQVSHPOSQKLPU-SFHVURJKSA-N 0 3 346.383 2.443 10 5 EEBEHN CC(C)N1CCN(c2ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc2)CC1 ZINC000814041201 1199270284 /nfs/dbraw/zinc/27/02/84/1199270284.db2.gz QKGWAOLIIYMTRW-CQSZACIVSA-N 0 3 335.404 2.039 10 5 EEBEHN CCOc1ccc(-c2noc(CCC(=O)OCC(C)[N+](=O)[O-])n2)cc1 ZINC000813110178 1201123505 /nfs/dbraw/zinc/12/35/05/1201123505.db2.gz UJIAXOBLRKEGCU-NSHDSACASA-N 0 3 349.343 2.276 10 5 EEBEHN O=C(CCN1CC[C@H](OC(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801988512 1236614153 /nfs/dbraw/zinc/61/41/53/1236614153.db2.gz FASSCUGUBRQDMF-JTQLQIEISA-N 0 3 347.293 2.376 10 5 EEBEHN C[C@H](NCC[S@@](=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850498253 1277250434 /nfs/dbraw/zinc/25/04/34/1277250434.db2.gz YYDPSYNYUUIOTQ-QSIZCVBASA-N 0 3 339.339 2.139 10 5 EEBEHN Cc1nc(CC2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001198000562 1284921696 /nfs/dbraw/zinc/92/16/96/1284921696.db2.gz HPRXGDSOEKQGHQ-INIZCTEOSA-N 0 3 346.387 2.274 10 5 EEBEHN C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001154879350 1317367250 /nfs/dbraw/zinc/36/72/50/1317367250.db2.gz CBPUWZDRPCEEPV-CQSZACIVSA-N 0 3 346.431 2.482 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc[nH]1 ZINC001320921610 1332979773 /nfs/dbraw/zinc/97/97/73/1332979773.db2.gz PKJPDDLUIZVQIU-UHFFFAOYSA-N 0 3 330.388 2.104 10 5 EEBEHN CN(CCCN(C)C(=O)c1cnsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001327186214 1334243131 /nfs/dbraw/zinc/24/31/31/1334243131.db2.gz ALJUOZLNZKQGNZ-UHFFFAOYSA-N 0 3 349.416 2.040 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NC[C@H]1CN3CCC[C@@H]3CO1)CCCC2 ZINC001328119494 1334400456 /nfs/dbraw/zinc/40/04/56/1334400456.db2.gz MWGDMHNAAMMTAU-KGLIPLIRSA-N 0 3 332.404 2.144 10 5 EEBEHN CCN1CCC[C@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001472889119 1338660490 /nfs/dbraw/zinc/66/04/90/1338660490.db2.gz OSRKACUTQBLFIE-NSHDSACASA-N 0 3 345.359 2.369 10 5 EEBEHN O=[N+]([O-])c1c(N2CCN[C@@H](c3ccccc3)C2)nc2sccn21 ZINC001643213846 1352742908 /nfs/dbraw/zinc/74/29/08/1352742908.db2.gz OFIKCNVPFMQQFH-GFCCVEGCSA-N 0 3 329.385 2.455 10 5 EEBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001129186448 784609694 /nfs/dbraw/zinc/60/96/94/784609694.db2.gz YESSFWOTJIKNHS-ZOWXZIJZSA-N 0 3 335.429 2.238 10 5 EEBEHN O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001177806532 799131818 /nfs/dbraw/zinc/13/18/18/799131818.db2.gz VVADBCZAYNRBSS-GFCCVEGCSA-N 0 3 347.350 2.308 10 5 EEBEHN C[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174104844 231122144 /nfs/dbraw/zinc/12/21/44/231122144.db2.gz GRDDVEOAGGPYDK-CZUORRHYSA-N 0 3 330.388 2.312 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129578868 223071991 /nfs/dbraw/zinc/07/19/91/223071991.db2.gz DKLUJLJMGHYATP-LLVKDONJSA-N 0 3 331.294 2.390 10 5 EEBEHN Cc1c(NC(=O)CCN2CCN3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246205696 160267550 /nfs/dbraw/zinc/26/75/50/160267550.db2.gz OFWYSFUBGSJOBP-HNNXBMFYSA-N 0 3 346.431 2.402 10 5 EEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000247081157 160309692 /nfs/dbraw/zinc/30/96/92/160309692.db2.gz ZJHLIHASBSSJPQ-KGLIPLIRSA-N 0 3 333.388 2.302 10 5 EEBEHN CC(C)N(CCN(C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342725360 161086253 /nfs/dbraw/zinc/08/62/53/161086253.db2.gz VDQZZLHOUFXPDP-UHFFFAOYSA-N 0 3 329.347 2.214 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359038365 164042732 /nfs/dbraw/zinc/04/27/32/164042732.db2.gz HFNIJEQOAITBPO-JTQLQIEISA-N 0 3 329.303 2.020 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000368320523 166087659 /nfs/dbraw/zinc/08/76/59/166087659.db2.gz YQTPMVVUXWSSJN-APWZRJJASA-N 0 3 346.475 2.361 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123006024 222197840 /nfs/dbraw/zinc/19/78/40/222197840.db2.gz BLXZPBLWLPQATP-KBPBESRZSA-N 0 3 335.404 2.305 10 5 EEBEHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN(C2CCOCC2)CC1 ZINC000291787499 275340276 /nfs/dbraw/zinc/34/02/76/275340276.db2.gz CZHBEWJYNLSSFJ-UHFFFAOYSA-N 0 3 342.399 2.444 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000292885158 293068689 /nfs/dbraw/zinc/06/86/89/293068689.db2.gz VHGHKUXYHYFBPB-QGZVFWFLSA-N 0 3 348.403 2.007 10 5 EEBEHN Cc1nc(N(C)[C@@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297540953 294273937 /nfs/dbraw/zinc/27/39/37/294273937.db2.gz PYVHFFDMUCFVIF-OAHLLOKOSA-N 0 3 327.388 2.404 10 5 EEBEHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420349452 313946457 /nfs/dbraw/zinc/94/64/57/313946457.db2.gz PAIPSGHZXQDNQH-TXEJJXNPSA-N 0 3 338.795 2.013 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCN(C)C)c2)n1 ZINC000427262903 314465870 /nfs/dbraw/zinc/46/58/70/314465870.db2.gz NSIBFKGQIBUSLI-UHFFFAOYSA-N 0 3 347.375 2.004 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(F)(c3ccccc3)CC2)c1 ZINC000434497093 314843359 /nfs/dbraw/zinc/84/33/59/314843359.db2.gz LYDRMYQTYTVBGR-MRXNPFEDSA-N 0 3 348.378 2.113 10 5 EEBEHN C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1[C@H](C)CC[C@@H]1C ZINC000444285886 315288229 /nfs/dbraw/zinc/28/82/29/315288229.db2.gz HPYVHUPFHYUGES-FRRDWIJNSA-N 0 3 332.404 2.136 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565834408 319219021 /nfs/dbraw/zinc/21/90/21/319219021.db2.gz MTKYYOADSKKNPY-QGZVFWFLSA-N 0 3 340.383 2.091 10 5 EEBEHN COCCN1CCC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710717 449390832 /nfs/dbraw/zinc/39/08/32/449390832.db2.gz NLQSEKINNPFYSF-CYBMUJFWSA-N 0 3 331.376 2.061 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000089602741 462697193 /nfs/dbraw/zinc/69/71/93/462697193.db2.gz OBMPLSLSLIQMKQ-LBPRGKRZSA-N 0 3 339.367 2.408 10 5 EEBEHN CCOC(=O)c1ccnc(NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000077928862 463072796 /nfs/dbraw/zinc/07/27/96/463072796.db2.gz MKMDLWMBEFFQQO-GFCCVEGCSA-N 0 3 336.392 2.453 10 5 EEBEHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000491270838 468338137 /nfs/dbraw/zinc/33/81/37/468338137.db2.gz KFQBEMYAWVLGHF-SFHVURJKSA-N 0 3 342.399 2.063 10 5 EEBEHN CNc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000071792535 463425647 /nfs/dbraw/zinc/42/56/47/463425647.db2.gz JENLHWBHZBHTJC-CQSZACIVSA-N 0 3 342.403 2.185 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000177424018 465011158 /nfs/dbraw/zinc/01/11/58/465011158.db2.gz FOTCOEYPMVCWOW-INIZCTEOSA-N 0 3 334.420 2.263 10 5 EEBEHN Cc1c(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359540331 465442368 /nfs/dbraw/zinc/44/23/68/465442368.db2.gz HMCAESZWDZJZFN-OAHLLOKOSA-N 0 3 332.404 2.281 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000366598050 465825556 /nfs/dbraw/zinc/82/55/56/465825556.db2.gz NFEJREREMOWTCY-CJNGLKHVSA-N 0 3 340.383 2.383 10 5 EEBEHN CCN1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331118207 465942168 /nfs/dbraw/zinc/94/21/68/465942168.db2.gz LJBOJTZYXXQYHP-UHFFFAOYSA-N 0 3 327.331 2.016 10 5 EEBEHN C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000362717520 465967697 /nfs/dbraw/zinc/96/76/97/465967697.db2.gz WIYLXIWSSGZGCS-VIFPVBQESA-N 0 3 327.331 2.014 10 5 EEBEHN C[C@@H]1CCN(Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000373393484 466790505 /nfs/dbraw/zinc/79/05/05/466790505.db2.gz PCIWVOJPNMQZLA-CQSZACIVSA-N 0 3 327.388 2.486 10 5 EEBEHN C[C@@H]1CN(C2CCOCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000517466648 468085470 /nfs/dbraw/zinc/08/54/70/468085470.db2.gz ZWKCQNPAIFHSPV-GFCCVEGCSA-N 0 3 345.403 2.161 10 5 EEBEHN CC[C@H](NC(=O)c1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000594307994 468547641 /nfs/dbraw/zinc/54/76/41/468547641.db2.gz HRYWXJOESLDHCH-HNNXBMFYSA-N 0 3 345.403 2.234 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN)C(F)(F)F ZINC000594451117 468593881 /nfs/dbraw/zinc/59/38/81/468593881.db2.gz KOXOJYILWXFRRR-JTQLQIEISA-N 0 3 337.323 2.326 10 5 EEBEHN Cc1ccc([C@@H](C)NC(=O)N[C@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594524863 468615587 /nfs/dbraw/zinc/61/55/87/468615587.db2.gz MFPQEUUBFZGJGI-LDYMZIIASA-N 0 3 334.298 2.153 10 5 EEBEHN Cc1ccc([C@H](C)NC(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594524862 468616038 /nfs/dbraw/zinc/61/60/38/468616038.db2.gz MFPQEUUBFZGJGI-KWQFWETISA-N 0 3 334.298 2.153 10 5 EEBEHN COC(=O)c1cc(CNCCOc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000594617787 468637557 /nfs/dbraw/zinc/63/75/57/468637557.db2.gz YSDJSULXNMWDSQ-UHFFFAOYSA-N 0 3 334.328 2.451 10 5 EEBEHN O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@H]3CNCCO3)cc2)c1 ZINC000600795559 468659870 /nfs/dbraw/zinc/65/98/70/468659870.db2.gz ZDJLNNVZOAFNGK-GOSISDBHSA-N 0 3 328.368 2.458 10 5 EEBEHN Cc1cc(OCC(=O)NC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859511 468696318 /nfs/dbraw/zinc/69/63/18/468696318.db2.gz DZQCABLICXYPFT-CYBMUJFWSA-N 0 3 335.404 2.271 10 5 EEBEHN COC(=O)COc1ccc(CNC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594978179 468737375 /nfs/dbraw/zinc/73/73/75/468737375.db2.gz QPTJITYPXBDIMN-CQSZACIVSA-N 0 3 344.314 2.282 10 5 EEBEHN CN1CCC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601129703 468753779 /nfs/dbraw/zinc/75/37/79/468753779.db2.gz WUWCLPWLKSQJDB-CQSZACIVSA-N 0 3 331.416 2.475 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)C2CCCCC2)c1 ZINC000593022963 468843203 /nfs/dbraw/zinc/84/32/03/468843203.db2.gz MFCNAXFDKDGOTN-OAHLLOKOSA-N 0 3 336.388 2.412 10 5 EEBEHN COC(=O)c1ccnc(NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598596646 468927093 /nfs/dbraw/zinc/92/70/93/468927093.db2.gz RCGJZLPABVHSAC-RYUDHWBXSA-N 0 3 336.392 2.451 10 5 EEBEHN C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000599072274 469106709 /nfs/dbraw/zinc/10/67/09/469106709.db2.gz IDWBQOKPIYEAEL-ZDUSSCGKSA-N 0 3 344.415 2.424 10 5 EEBEHN CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599179595 469151301 /nfs/dbraw/zinc/15/13/01/469151301.db2.gz JBHUWWJPDOPEOU-WCBMZHEXSA-N 0 3 329.198 2.329 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(N3CCCOCC3)CC2)n1 ZINC000596268174 469226880 /nfs/dbraw/zinc/22/68/80/469226880.db2.gz HHUSEDAGXMUKGZ-UHFFFAOYSA-N 0 3 334.420 2.298 10 5 EEBEHN Cc1cc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596464162 469275266 /nfs/dbraw/zinc/27/52/66/469275266.db2.gz GZXCETKOEDLBLX-NWDGAFQWSA-N 0 3 349.412 2.251 10 5 EEBEHN CC1(N2CCOCC2)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000599622632 469312724 /nfs/dbraw/zinc/31/27/24/469312724.db2.gz MKSRWWKRFSTCGU-UHFFFAOYSA-N 0 3 337.395 2.421 10 5 EEBEHN O=[N+]([O-])c1cnc2c(c1)CN(CC1CCC3(CC1)OCCO3)CC2 ZINC000753748103 577792734 /nfs/dbraw/zinc/79/27/34/577792734.db2.gz KZLMNZCCKXEOAZ-UHFFFAOYSA-N 0 3 333.388 2.281 10 5 EEBEHN O=C(OCc1c(F)cccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924061969 678318650 /nfs/dbraw/zinc/31/86/50/678318650.db2.gz HWOAWOAKCGNISR-LLVKDONJSA-N 0 3 336.319 2.178 10 5 EEBEHN CCc1cc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001268782359 1183698441 /nfs/dbraw/zinc/69/84/41/1183698441.db2.gz UEBJYCHHEFHRJT-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1)C1CCC1 ZINC001271015887 1185814535 /nfs/dbraw/zinc/81/45/35/1185814535.db2.gz CDVFMUBBGYGVCP-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN CC(C)(C)OC(=O)N1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000703306973 1196425129 /nfs/dbraw/zinc/42/51/29/1196425129.db2.gz VXENIFKULXAWNQ-CYBMUJFWSA-N 0 3 337.376 2.278 10 5 EEBEHN CN1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCC1(C)C ZINC000871155003 1201075052 /nfs/dbraw/zinc/07/50/52/1201075052.db2.gz MZCYSCJLILLTAG-UHFFFAOYSA-N 0 3 349.416 2.156 10 5 EEBEHN CCCCS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114391 1201124371 /nfs/dbraw/zinc/12/43/71/1201124371.db2.gz QXHNCHOCISLFET-LLVKDONJSA-N 0 3 329.374 2.082 10 5 EEBEHN CCN(CCCNC(=O)c1c[nH]nc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001265126134 1322934646 /nfs/dbraw/zinc/93/46/46/1322934646.db2.gz LKGUQARGNIDRTF-UHFFFAOYSA-N 0 3 345.403 2.268 10 5 EEBEHN CN(C)Cc1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001290472899 1328207044 /nfs/dbraw/zinc/20/70/44/1328207044.db2.gz IGDQPFWRAITIKD-INIZCTEOSA-N 0 3 329.356 2.329 10 5 EEBEHN CCCn1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001664217153 1355114991 /nfs/dbraw/zinc/11/49/91/1355114991.db2.gz IDHQFPKDLKAPGW-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN Cc1ccc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)nn1 ZINC001670090205 1356273330 /nfs/dbraw/zinc/27/33/30/1356273330.db2.gz FPCYLUIWALDOOI-UHFFFAOYSA-N 0 3 349.416 2.007 10 5 EEBEHN CC(C)CNC(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001167829721 776264041 /nfs/dbraw/zinc/26/40/41/776264041.db2.gz QQFFICUMSJUYBS-INIZCTEOSA-N 0 3 349.431 2.303 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908346865 785339633 /nfs/dbraw/zinc/33/96/33/785339633.db2.gz ILXBLGVRRPXUAE-QPUJVOFHSA-N 0 3 327.743 2.163 10 5 EEBEHN CN1CCCC(C)(C)[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000790286031 808560533 /nfs/dbraw/zinc/56/05/33/808560533.db2.gz WUVXFELEJBBPJY-OAHLLOKOSA-N 0 3 348.403 2.458 10 5 EEBEHN CN(CCCNC(=O)c1ccns1)Cc1cccc([N+](=O)[O-])c1 ZINC001479773889 1098950330 /nfs/dbraw/zinc/95/03/30/1098950330.db2.gz MAARPJLRDCQWHL-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN C[C@@H]1CC[C@@](CO)(NCCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC001460952873 1110329551 /nfs/dbraw/zinc/32/95/51/1110329551.db2.gz WTYJSUFRVGHBIG-DYVFJYSZSA-N 0 3 330.388 2.166 10 5 EEBEHN CCN1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000172621446 152101476 /nfs/dbraw/zinc/10/14/76/152101476.db2.gz KWLDEDIBZKTSCW-OAHLLOKOSA-N 0 3 334.420 2.387 10 5 EEBEHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246508905 160282521 /nfs/dbraw/zinc/28/25/21/160282521.db2.gz QJMBBUIDVIOATM-MAUKXSAKSA-N 0 3 349.431 2.016 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246595706 160286458 /nfs/dbraw/zinc/28/64/58/160286458.db2.gz ZFFCPKAIDPMIGQ-SMDDNHRTSA-N 0 3 336.392 2.454 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1C ZINC000123361864 222264171 /nfs/dbraw/zinc/26/41/71/222264171.db2.gz BUCSMBBKBNYHIZ-QWHCGFSZSA-N 0 3 334.420 2.216 10 5 EEBEHN CN(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(F)c1 ZINC000301855080 294903011 /nfs/dbraw/zinc/90/30/11/294903011.db2.gz YOUQFXCUFWPZTL-CYBMUJFWSA-N 0 3 344.350 2.491 10 5 EEBEHN O=C(c1cc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302771656 311548740 /nfs/dbraw/zinc/54/87/40/311548740.db2.gz NBFBAHFHHYHIQR-UHFFFAOYSA-N 0 3 344.415 2.115 10 5 EEBEHN C[C@@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000154854138 462815554 /nfs/dbraw/zinc/81/55/54/462815554.db2.gz OSXJBGJTENDPCU-KRWDZBQOSA-N 0 3 343.387 2.102 10 5 EEBEHN CN(C[C@@H]1CCN(C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000071193062 463411519 /nfs/dbraw/zinc/41/15/19/463411519.db2.gz QMBSMSDTJDRYRP-SECBINFHSA-N 0 3 329.198 2.140 10 5 EEBEHN CCCS(=O)(=O)C(C)C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071903350 463465249 /nfs/dbraw/zinc/46/52/49/463465249.db2.gz UJEIJPSQPAVHRD-RYUDHWBXSA-N 0 3 342.417 2.328 10 5 EEBEHN CN1CC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1ccccc1 ZINC000225600069 464175141 /nfs/dbraw/zinc/17/51/41/464175141.db2.gz VQYMHDXOOQUUNH-GUYCJALGSA-N 0 3 338.371 2.495 10 5 EEBEHN COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000189261479 464465285 /nfs/dbraw/zinc/46/52/85/464465285.db2.gz ZMHCGXSKEQEUNC-FZMZJTMJSA-N 0 3 335.404 2.370 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000569105570 468439898 /nfs/dbraw/zinc/43/98/98/468439898.db2.gz SLUJQCMGROPBAU-INIZCTEOSA-N 0 3 341.367 2.058 10 5 EEBEHN CNC(=O)C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000361645956 466174272 /nfs/dbraw/zinc/17/42/72/466174272.db2.gz GDMKOSBJIZHERQ-KRWDZBQOSA-N 0 3 343.383 2.441 10 5 EEBEHN O=C(NC1CC(N2CCCCC2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000365413320 466810390 /nfs/dbraw/zinc/81/03/90/466810390.db2.gz XOOWQVLAJASPNE-UHFFFAOYSA-N 0 3 348.359 2.250 10 5 EEBEHN COc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1F ZINC000373675888 466885462 /nfs/dbraw/zinc/88/54/62/466885462.db2.gz UAWAKOWKTHVYPK-GHMZBOCLSA-N 0 3 325.340 2.018 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000373759124 466912114 /nfs/dbraw/zinc/91/21/14/466912114.db2.gz HIMXYZYJSXMCTP-UKRRQHHQSA-N 0 3 333.388 2.094 10 5 EEBEHN O=[N+]([O-])c1cnc2ccccc2c1NC1CCN([C@H]2CCOC2)CC1 ZINC000589864408 468190797 /nfs/dbraw/zinc/19/07/97/468190797.db2.gz KGCQHBQUFURVGA-AWEZNQCLSA-N 0 3 342.399 2.230 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000590045950 468207420 /nfs/dbraw/zinc/20/74/20/468207420.db2.gz ZDCKLRSTMQPZBC-NOZJJQNGSA-N 0 3 343.305 2.390 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000590444370 468258350 /nfs/dbraw/zinc/25/83/50/468258350.db2.gz LBZZUUIRFMQIAJ-NHYWBVRUSA-N 0 3 335.379 2.174 10 5 EEBEHN CC(C)C1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591749448 468514220 /nfs/dbraw/zinc/51/42/20/468514220.db2.gz YYTZEVSPGAGGMO-UHFFFAOYSA-N 0 3 326.418 2.394 10 5 EEBEHN Cc1nn(C)c(NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000591985035 468589884 /nfs/dbraw/zinc/58/98/84/468589884.db2.gz AQVOQTQGAUOLKY-CABCVRRESA-N 0 3 329.404 2.394 10 5 EEBEHN COc1ccc(CNC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594512653 468613129 /nfs/dbraw/zinc/61/31/29/468613129.db2.gz VJDRZDMXVRNOJZ-MCIONIFRSA-N 0 3 337.420 2.191 10 5 EEBEHN CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(CC)C1 ZINC000598042278 468747253 /nfs/dbraw/zinc/74/72/53/468747253.db2.gz XAFWEMXGUDLAJT-AWEZNQCLSA-N 0 3 335.404 2.225 10 5 EEBEHN C[C@@H]1CN(C)CC[C@H]1N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601125805 468751921 /nfs/dbraw/zinc/75/19/21/468751921.db2.gz JXEOQGHPHZREGA-RKDXNWHRSA-N 0 3 335.330 2.124 10 5 EEBEHN CCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCN(C)C1 ZINC000592829703 468799214 /nfs/dbraw/zinc/79/92/14/468799214.db2.gz VTBLNCPINSMPTL-NSHDSACASA-N 0 3 341.358 2.358 10 5 EEBEHN Cc1c(NC(=O)CCN2CCC(C3(O)CC3)CC2)cccc1[N+](=O)[O-] ZINC000593050103 468851761 /nfs/dbraw/zinc/85/17/61/468851761.db2.gz OUTJKBBCIOQSET-UHFFFAOYSA-N 0 3 347.415 2.469 10 5 EEBEHN CN1CC[C@@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@@H]21 ZINC000601618435 468938923 /nfs/dbraw/zinc/93/89/23/468938923.db2.gz YWTPCSLJDFRMPP-CJNGLKHVSA-N 0 3 329.400 2.179 10 5 EEBEHN CC(C)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595686432 468955370 /nfs/dbraw/zinc/95/53/70/468955370.db2.gz ZPMBRHNXKITCBD-CJNGLKHVSA-N 0 3 336.367 2.278 10 5 EEBEHN C[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)N1CCN(C)CC1 ZINC000593461464 468989758 /nfs/dbraw/zinc/98/97/58/468989758.db2.gz LVCBBMJVZDCWKW-ZDUSSCGKSA-N 0 3 329.404 2.191 10 5 EEBEHN O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCC1 ZINC000598978197 469073585 /nfs/dbraw/zinc/07/35/85/469073585.db2.gz DDPMGTOGJRVQIN-MRXNPFEDSA-N 0 3 332.404 2.411 10 5 EEBEHN COc1cc(NCCCN2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596061084 469132958 /nfs/dbraw/zinc/13/29/58/469132958.db2.gz BRMLKVLEVHJMNC-UHFFFAOYSA-N 0 3 342.827 2.306 10 5 EEBEHN Cc1noc([C@@H]2OCC[C@@H]2NCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000599686513 469338334 /nfs/dbraw/zinc/33/83/34/469338334.db2.gz VROIUKIYULOOHC-LSDHHAIUSA-N 0 3 348.359 2.175 10 5 EEBEHN CC(C)c1n[nH]c(C(=O)NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000619451643 469611628 /nfs/dbraw/zinc/61/16/28/469611628.db2.gz PLAHVUQDWSLTSC-UHFFFAOYSA-N 0 3 335.408 2.188 10 5 EEBEHN CC(C)N1CC[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000457099123 485485431 /nfs/dbraw/zinc/48/54/31/485485431.db2.gz UUIWKGSYPOVHTF-NSHDSACASA-N 0 3 341.358 2.357 10 5 EEBEHN COCc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001481255576 1180485519 /nfs/dbraw/zinc/48/55/19/1180485519.db2.gz MEPAOKUYDWYBMS-UHFFFAOYSA-N 0 3 347.371 2.196 10 5 EEBEHN Cc1cccnc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001268526013 1183179562 /nfs/dbraw/zinc/17/95/62/1183179562.db2.gz PDNAXXPNQDBNDT-NSCUHMNNSA-N 0 3 340.383 2.374 10 5 EEBEHN COc1ccc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001268607213 1183515174 /nfs/dbraw/zinc/51/51/74/1183515174.db2.gz JCOYWRJZCAOPSJ-NSCUHMNNSA-N 0 3 345.355 2.272 10 5 EEBEHN CCc1cc(C(=O)N(C)CCN(C)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001482581172 1186980772 /nfs/dbraw/zinc/98/07/72/1186980772.db2.gz OXLYJVAZYKKWDJ-UHFFFAOYSA-N 0 3 345.403 2.084 10 5 EEBEHN CC(C)c1ccc(CNC[C@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000865768522 1198368294 /nfs/dbraw/zinc/36/82/94/1198368294.db2.gz KMFQLGXGSOZHES-KRWDZBQOSA-N 0 3 349.387 2.029 10 5 EEBEHN CCc1ccc(OS(=O)(=O)CCN(CC)CC)c([N+](=O)[O-])c1 ZINC000810050360 1199222964 /nfs/dbraw/zinc/22/29/64/1199222964.db2.gz ZPZCAHUILXVHSA-UHFFFAOYSA-N 0 3 330.406 2.208 10 5 EEBEHN CC(COC(=O)COc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813101437 1201096885 /nfs/dbraw/zinc/09/68/85/1201096885.db2.gz AAQAKJIMPNROCF-ZETCQYMHSA-N 0 3 336.113 2.175 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C ZINC000925329071 1206097955 /nfs/dbraw/zinc/09/79/55/1206097955.db2.gz KNKLNQRILHFCFA-LRDDRELGSA-N 0 3 332.404 2.361 10 5 EEBEHN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC(N[C@H]2CCOC2)C1 ZINC001187740043 1279634708 /nfs/dbraw/zinc/63/47/08/1279634708.db2.gz VPGCEPNDYWUJQN-NSHDSACASA-N 0 3 348.790 2.364 10 5 EEBEHN Cc1nc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001265831770 1323408867 /nfs/dbraw/zinc/40/88/67/1323408867.db2.gz RDSQPCZXXDVRDE-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN CCc1[nH]ccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001317583912 1332308873 /nfs/dbraw/zinc/30/88/73/1332308873.db2.gz UNKZMMQNJKAUDG-UHFFFAOYSA-N 0 3 330.388 2.347 10 5 EEBEHN COC(=O)[C@@H]1[C@H](CNC(C)(C)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC001332704189 1335887219 /nfs/dbraw/zinc/88/72/19/1335887219.db2.gz DMFAENTYTTXBOQ-RYUDHWBXSA-N 0 3 328.315 2.474 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC001351798687 1337850932 /nfs/dbraw/zinc/85/09/32/1337850932.db2.gz CJQDNQLXSNWWLU-MNOVXSKESA-N 0 3 347.462 2.116 10 5 EEBEHN CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC001627250878 1352488778 /nfs/dbraw/zinc/48/87/78/1352488778.db2.gz DSMZEVXSUOPCNP-UHFFFAOYSA-N 0 3 335.404 2.354 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)Cc1cccnc1 ZINC001656461943 1354240988 /nfs/dbraw/zinc/24/09/88/1354240988.db2.gz YNGQGBURNLPHND-LBPRGKRZSA-N 0 3 344.371 2.158 10 5 EEBEHN CC(COC(=O)c1cc(Br)cc(N(C)C)c1)[N+](=O)[O-] ZINC000816091526 783664386 /nfs/dbraw/zinc/66/43/86/783664386.db2.gz AMADCWLKGGCPMQ-MRVPVSSYSA-N 0 3 331.166 2.337 10 5 EEBEHN Cc1cccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001493476879 1108211410 /nfs/dbraw/zinc/21/14/10/1108211410.db2.gz HSOCQMWMRIOPKZ-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN C[C@H]1CN(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066562260 215053908 /nfs/dbraw/zinc/05/39/08/215053908.db2.gz JOMXMGCIBHFIAL-HNNXBMFYSA-N 0 3 333.432 2.322 10 5 EEBEHN COC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181674996 533090788 /nfs/dbraw/zinc/09/07/88/533090788.db2.gz NOSOYAADEVMPHP-WMZOPIPTSA-N 0 3 346.383 2.312 10 5 EEBEHN CN(CCCN(C)c1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccco1 ZINC000343805016 161169653 /nfs/dbraw/zinc/16/96/53/161169653.db2.gz IQLONCAOUAONLI-UHFFFAOYSA-N 0 3 344.375 2.189 10 5 EEBEHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000375208145 167087714 /nfs/dbraw/zinc/08/77/14/167087714.db2.gz SRJIVJXXQGAICU-UHFFFAOYSA-N 0 3 346.431 2.407 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000123866549 222344443 /nfs/dbraw/zinc/34/44/43/222344443.db2.gz WZBFSRWDPFOIMM-ZIAGYGMSSA-N 0 3 334.420 2.338 10 5 EEBEHN CCOc1ccc(C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000103453781 273946671 /nfs/dbraw/zinc/94/66/71/273946671.db2.gz IVPGVNDERCUKJZ-UHFFFAOYSA-N 0 3 335.404 2.407 10 5 EEBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cs1 ZINC000282965902 292872460 /nfs/dbraw/zinc/87/24/60/292872460.db2.gz YSDJOYUPUNQDPO-GXTWGEPZSA-N 0 3 326.418 2.314 10 5 EEBEHN COc1ccc(OCCN2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420995266 314017504 /nfs/dbraw/zinc/01/75/04/314017504.db2.gz OLJYSRWDJVQBBC-ZDUSSCGKSA-N 0 3 336.388 2.362 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccc3c(c2)CNCC3)cc1 ZINC000574760712 320054897 /nfs/dbraw/zinc/05/48/97/320054897.db2.gz YLNAPYLDFTXNKK-UHFFFAOYSA-N 0 3 332.381 2.214 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153757448 462688990 /nfs/dbraw/zinc/68/89/90/462688990.db2.gz QIQNTLWEWNZFPB-AWEZNQCLSA-N 0 3 336.392 2.136 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069452542 463249453 /nfs/dbraw/zinc/24/94/53/463249453.db2.gz HSJMBMTZDNNJAV-GFCCVEGCSA-N 0 3 341.795 2.089 10 5 EEBEHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802843 463468042 /nfs/dbraw/zinc/46/80/42/463468042.db2.gz UFIFMZREGBXNTD-MRXNPFEDSA-N 0 3 327.388 2.486 10 5 EEBEHN CC(C)(N)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000162460494 463511937 /nfs/dbraw/zinc/51/19/37/463511937.db2.gz UXENCTMGIPOEET-UHFFFAOYSA-N 0 3 340.181 2.191 10 5 EEBEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000177700002 463770007 /nfs/dbraw/zinc/77/00/07/463770007.db2.gz SUHCLCIVRBHGFD-BBRMVZONSA-N 0 3 334.420 2.338 10 5 EEBEHN C[C@H]1COCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277324021 463910050 /nfs/dbraw/zinc/91/00/50/463910050.db2.gz DOBSQVCSERZCQK-JOYOIKCWSA-N 0 3 327.768 2.201 10 5 EEBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000180423036 464308419 /nfs/dbraw/zinc/30/84/19/464308419.db2.gz RFVHQEMHDQTJAH-GFCCVEGCSA-N 0 3 334.376 2.448 10 5 EEBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000245662893 464503724 /nfs/dbraw/zinc/50/37/24/464503724.db2.gz ACLRCYWZDPAQOW-OLZOCXBDSA-N 0 3 340.383 2.452 10 5 EEBEHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000183201180 464820158 /nfs/dbraw/zinc/82/01/58/464820158.db2.gz KKFQBIASMVPOCI-ZANVPECISA-N 0 3 327.768 2.344 10 5 EEBEHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCN(C2CC2)C1 ZINC000342921051 465388652 /nfs/dbraw/zinc/38/86/52/465388652.db2.gz MXVXAKOBMRIJKK-LBPRGKRZSA-N 0 3 328.372 2.385 10 5 EEBEHN CC[C@@H](C)N[C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccco1 ZINC000359541435 465442257 /nfs/dbraw/zinc/44/22/57/465442257.db2.gz DMEQZQYVAWKNQJ-NEPJUHHUSA-N 0 3 349.391 2.263 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000362500562 465785633 /nfs/dbraw/zinc/78/56/33/465785633.db2.gz VEYBMKQJTJXUKK-HNNXBMFYSA-N 0 3 330.388 2.102 10 5 EEBEHN CCCc1n[nH]c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346213047 465998691 /nfs/dbraw/zinc/99/86/91/465998691.db2.gz YCXQCTUFGKMHSN-RYUDHWBXSA-N 0 3 337.424 2.263 10 5 EEBEHN Cc1c(CN2CCC[C@H](c3ccnc(N)n3)C2)cccc1[N+](=O)[O-] ZINC000377097101 467025898 /nfs/dbraw/zinc/02/58/98/467025898.db2.gz JKSWNNHINDTQAH-AWEZNQCLSA-N 0 3 327.388 2.655 10 5 EEBEHN CN1CCN(CCC(C)(C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450460144 467853606 /nfs/dbraw/zinc/85/36/06/467853606.db2.gz MSFUQDGAKZMCEU-UHFFFAOYSA-N 0 3 346.435 2.299 10 5 EEBEHN COc1ccc(C(=O)N2CCc3ccccc3[C@H]2CN)cc1[N+](=O)[O-] ZINC000583442193 468698076 /nfs/dbraw/zinc/69/80/76/468698076.db2.gz VGGIZWKQDUPFBJ-MRXNPFEDSA-N 0 3 341.367 2.302 10 5 EEBEHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000594990947 468739380 /nfs/dbraw/zinc/73/93/80/468739380.db2.gz VMUVFAFFPHWFTJ-IAGOWNOFSA-N 0 3 331.416 2.328 10 5 EEBEHN CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595635381 468932780 /nfs/dbraw/zinc/93/27/80/468932780.db2.gz ULZCYESIFWZRRQ-KCPJHIHWSA-N 0 3 326.368 2.390 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCN1C1CCCC1)OCCO2 ZINC000598999130 469082963 /nfs/dbraw/zinc/08/29/63/469082963.db2.gz JVCLGEUGVHVDQJ-HNNXBMFYSA-N 0 3 347.415 2.473 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2COc3ccccc3O2)c1 ZINC000749645846 577979400 /nfs/dbraw/zinc/97/94/00/577979400.db2.gz IHFZDFBPYQJVPU-LSDHHAIUSA-N 0 3 330.340 2.058 10 5 EEBEHN CC(COC(=O)c1csc(I)c1)[N+](=O)[O-] ZINC000813101598 675677313 /nfs/dbraw/zinc/67/73/13/675677313.db2.gz DVPQTDJVIVFTQY-YFKPBYRVSA-N 0 3 341.126 2.175 10 5 EEBEHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721487 684699036 /nfs/dbraw/zinc/69/90/36/684699036.db2.gz BZFSAEKDVAPISI-IMMZDGJCSA-N 0 3 332.400 2.471 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1CCOCC1 ZINC001484621182 1191444817 /nfs/dbraw/zinc/44/48/17/1191444817.db2.gz OQVGSJIHFHDQTK-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN CC(C)[C@@](C)(C[NH3+])[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764791 1293910630 /nfs/dbraw/zinc/91/06/30/1293910630.db2.gz AQLCREXBCXWEHJ-CYBMUJFWSA-N 0 3 331.319 2.056 10 5 EEBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927038769 1296995222 /nfs/dbraw/zinc/99/52/22/1296995222.db2.gz LGLXMTHLFIAJHB-UKAJUAJCSA-N 0 3 336.413 2.280 10 5 EEBEHN Cc1nc[nH]c1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001280548847 1324290936 /nfs/dbraw/zinc/29/09/36/1324290936.db2.gz QGQDRDVMHSIRLV-UHFFFAOYSA-N 0 3 343.387 2.069 10 5 EEBEHN CCc1nc(C(=O)N(CC)CCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001668408887 1355935793 /nfs/dbraw/zinc/93/57/93/1355935793.db2.gz GJWHJHIHBRHMLB-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C(=O)C(C)(C)C ZINC001670047277 1356266363 /nfs/dbraw/zinc/26/63/63/1356266363.db2.gz WWBAWYOMAUHZRN-UHFFFAOYSA-N 0 3 341.433 2.210 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@]2(C)CN3CCC2CC3)c1 ZINC000912377940 788131548 /nfs/dbraw/zinc/13/15/48/788131548.db2.gz HDJQJZWMUPSYOK-SFHVURJKSA-N 0 3 347.415 2.273 10 5 EEBEHN Cc1c(OS(=O)(=O)C[C@@]23CCN(C2)CCC3)cccc1[N+](=O)[O-] ZINC000913945453 794624275 /nfs/dbraw/zinc/62/42/75/794624275.db2.gz NSYHIHHRRVUQHA-HNNXBMFYSA-N 0 3 340.401 2.098 10 5 EEBEHN CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(=O)NCCN(C)C ZINC000129487112 292358828 /nfs/dbraw/zinc/35/88/28/292358828.db2.gz QPEAPBHLBFUQFQ-HNNXBMFYSA-N 0 3 340.399 2.238 10 5 EEBEHN Cc1nc(CN2CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000105867014 159309663 /nfs/dbraw/zinc/30/96/63/159309663.db2.gz BPMLXBUSZKXODB-UHFFFAOYSA-N 0 3 345.403 2.037 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN4CCCC[C@H]4C3)n2)c1 ZINC000246267883 160271252 /nfs/dbraw/zinc/27/12/52/160271252.db2.gz ZMLYDNXGQRBSLP-HNNXBMFYSA-N 0 3 343.387 2.315 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000122983744 222194850 /nfs/dbraw/zinc/19/48/50/222194850.db2.gz YKSXARXKUJGAQL-NWDGAFQWSA-N 0 3 339.367 2.054 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000373759122 274099669 /nfs/dbraw/zinc/09/96/69/274099669.db2.gz HIMXYZYJSXMCTP-DZGCQCFKSA-N 0 3 333.388 2.094 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(=O)c2cc(F)c(N3C[C@H](C)N[C@@H](C)C3)cc21 ZINC000005393655 276715367 /nfs/dbraw/zinc/71/53/67/276715367.db2.gz DMJRIWIYFASLJV-QWRGUYRKSA-N 0 3 348.378 2.255 10 5 EEBEHN COCC(C)(C)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000425274158 314370959 /nfs/dbraw/zinc/37/09/59/314370959.db2.gz CNXYLDOJDHAMFY-UHFFFAOYSA-N 0 3 333.392 2.018 10 5 EEBEHN CN(CCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccncc1 ZINC000542786677 318139997 /nfs/dbraw/zinc/13/99/97/318139997.db2.gz VMJVCBWPSMOCRY-UHFFFAOYSA-N 0 3 326.356 2.405 10 5 EEBEHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCN(C2CC2)C1 ZINC000347889016 465288283 /nfs/dbraw/zinc/28/82/83/465288283.db2.gz JHBYZHCAFBHWCI-ZDUSSCGKSA-N 0 3 328.372 2.385 10 5 EEBEHN Cc1ccc(N2CCC[C@H](CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000080611646 463336590 /nfs/dbraw/zinc/33/65/90/463336590.db2.gz ZLOIGVQJAAUXMX-MRXNPFEDSA-N 0 3 332.448 2.367 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000124998399 463489605 /nfs/dbraw/zinc/48/96/05/463489605.db2.gz UUUWXLWBRATKCK-DOMZBBRYSA-N 0 3 333.388 2.094 10 5 EEBEHN COc1ccc(OCCN2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177751697 463782007 /nfs/dbraw/zinc/78/20/07/463782007.db2.gz MUYSJGQDRBNULI-CQSZACIVSA-N 0 3 335.404 2.152 10 5 EEBEHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188041600 464185853 /nfs/dbraw/zinc/18/58/53/464185853.db2.gz ZEKOTXKTSXXAFB-BXUZGUMPSA-N 0 3 335.404 2.467 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000176286027 464740091 /nfs/dbraw/zinc/74/00/91/464740091.db2.gz JPGNGFXZTVIRJQ-CVEARBPZSA-N 0 3 330.388 2.379 10 5 EEBEHN COC(=O)c1cc(C)nc(N(C)[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000286023253 464777866 /nfs/dbraw/zinc/77/78/66/464777866.db2.gz AQBSHIRAXIVPTM-RYUDHWBXSA-N 0 3 336.392 2.004 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600007074 468435673 /nfs/dbraw/zinc/43/56/73/468435673.db2.gz OYPIOCXZYAWPJE-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN CN1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000554859436 468447335 /nfs/dbraw/zinc/44/73/35/468447335.db2.gz KVIWNUBERIAROQ-ZWNOBZJWSA-N 0 3 349.416 2.192 10 5 EEBEHN C[C@@H]1CCCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362526804 465806683 /nfs/dbraw/zinc/80/66/83/465806683.db2.gz VJUGZXXMFOOWAU-LLVKDONJSA-N 0 3 341.358 2.264 10 5 EEBEHN C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000362717519 465967608 /nfs/dbraw/zinc/96/76/08/465967608.db2.gz WIYLXIWSSGZGCS-SECBINFHSA-N 0 3 327.331 2.014 10 5 EEBEHN Nc1nccc([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990996 466058956 /nfs/dbraw/zinc/05/89/56/466058956.db2.gz WBUTXGSRMSWVAF-CYBMUJFWSA-N 0 3 343.387 2.225 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000365848618 466962069 /nfs/dbraw/zinc/96/20/69/466962069.db2.gz ODEISQBLKHFJQL-UHFFFAOYSA-N 0 3 343.387 2.619 10 5 EEBEHN O=[N+]([O-])c1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000450397926 467842362 /nfs/dbraw/zinc/84/23/62/467842362.db2.gz WQDLJPLIRQYHRG-NVXWUHKLSA-N 0 3 342.399 2.285 10 5 EEBEHN Cc1ccc(NCCCNC(=O)CN2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000578521644 468213258 /nfs/dbraw/zinc/21/32/58/468213258.db2.gz ZGOORWPOBCAMQQ-AWEZNQCLSA-N 0 3 334.420 2.163 10 5 EEBEHN CC[C@@H](NC(=O)c1ccn(CCN(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000594307995 468547690 /nfs/dbraw/zinc/54/76/90/468547690.db2.gz HRYWXJOESLDHCH-OAHLLOKOSA-N 0 3 345.403 2.234 10 5 EEBEHN CN1CCC(n2cc(NC(=O)c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000601776595 469018499 /nfs/dbraw/zinc/01/84/99/469018499.db2.gz PYBPQYPEVGAVAZ-UHFFFAOYSA-N 0 3 329.360 2.310 10 5 EEBEHN COC(=O)CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130686 485597702 /nfs/dbraw/zinc/59/77/02/485597702.db2.gz IOWKNXSYDVNGNN-SHTZXODSSA-N 0 3 336.388 2.263 10 5 EEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000174964411 529304848 /nfs/dbraw/zinc/30/48/48/529304848.db2.gz ZJHLIHASBSSJPQ-UONOGXRCSA-N 0 3 333.388 2.302 10 5 EEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000175027527 529305222 /nfs/dbraw/zinc/30/52/22/529305222.db2.gz FGOKRXFGNQTOAW-QWHCGFSZSA-N 0 3 348.359 2.202 10 5 EEBEHN COCCN1CCC[C@@H](NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752059417 577765373 /nfs/dbraw/zinc/76/53/73/577765373.db2.gz ZBJOJBJNCQSGQZ-OBEJXRGXSA-N 0 3 347.415 2.225 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)CC(F)(F)F ZINC001268780700 1183699374 /nfs/dbraw/zinc/69/93/74/1183699374.db2.gz OKROCVBTRTWBIH-UHFFFAOYSA-N 0 3 333.310 2.485 10 5 EEBEHN C[C@@H](NCC1CCS(=O)(=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052227 1198035343 /nfs/dbraw/zinc/03/53/43/1198035343.db2.gz RIEYEFIOQIDJMY-SNVBAGLBSA-N 0 3 330.381 2.209 10 5 EEBEHN CC(COC(=O)COc1ccccc1OCC(F)(F)F)[N+](=O)[O-] ZINC000813107634 1201117528 /nfs/dbraw/zinc/11/75/28/1201117528.db2.gz POADPWZYDCLYCZ-SECBINFHSA-N 0 3 337.250 2.215 10 5 EEBEHN CCCCS(=O)(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114392 1201124862 /nfs/dbraw/zinc/12/48/62/1201124862.db2.gz QXHNCHOCISLFET-NSHDSACASA-N 0 3 329.374 2.082 10 5 EEBEHN Cc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)ns1 ZINC001663903831 1355051390 /nfs/dbraw/zinc/05/13/90/1355051390.db2.gz XFYMUXDURDLDJX-UHFFFAOYSA-N 0 3 334.401 2.222 10 5 EEBEHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911473419 787466907 /nfs/dbraw/zinc/46/69/07/787466907.db2.gz CFDWFZSHDYVLQD-NXEZZACHSA-N 0 3 327.331 2.362 10 5 EEBEHN O=C(CNCC1(C2(O)CCC2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001176053055 798337234 /nfs/dbraw/zinc/33/72/34/798337234.db2.gz RZARYCKESZIGJZ-UHFFFAOYSA-N 0 3 333.388 2.208 10 5 EEBEHN CC(=O)NCCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929271554 799549310 /nfs/dbraw/zinc/54/93/10/799549310.db2.gz ZHCKIJRLGRNBFS-UHFFFAOYSA-N 0 3 334.420 2.023 10 5 EEBEHN CCc1cccnc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001493611015 1108401417 /nfs/dbraw/zinc/40/14/17/1108401417.db2.gz XXWXGHKFNGTCGW-UHFFFAOYSA-N 0 3 342.399 2.414 10 5 EEBEHN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCOC1 ZINC001460791005 1110324285 /nfs/dbraw/zinc/32/42/85/1110324285.db2.gz SAWHRFJMLYNKDB-ABAIWWIYSA-N 0 3 334.376 2.002 10 5 EEBEHN CC(C)(C)C(=O)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001479287367 1110676308 /nfs/dbraw/zinc/67/63/08/1110676308.db2.gz ZMQRDNCWNSJCDB-XBXGTLAGSA-N 0 3 347.415 2.194 10 5 EEBEHN Cc1nc(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)co1 ZINC001501942218 1113531277 /nfs/dbraw/zinc/53/12/77/1113531277.db2.gz JSLQMDHYRLIFNY-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN CCN(C)CCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000054131609 214217486 /nfs/dbraw/zinc/21/74/86/214217486.db2.gz FTEWHZYAEJFMQW-UHFFFAOYSA-N 0 3 330.182 2.039 10 5 EEBEHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246763387 243312032 /nfs/dbraw/zinc/31/20/32/243312032.db2.gz ARBAHKDNGHCMQJ-MFKMUULPSA-N 0 3 348.359 2.120 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)n1 ZINC000191713764 152269093 /nfs/dbraw/zinc/26/90/93/152269093.db2.gz JLZBDZIKWLZSBT-WBMJQRKESA-N 0 3 345.403 2.232 10 5 EEBEHN COC(=O)[C@H](C)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000357657453 153272142 /nfs/dbraw/zinc/27/21/42/153272142.db2.gz ZHXSPNAMUUAQLZ-CQSZACIVSA-N 0 3 346.387 2.103 10 5 EEBEHN COc1ccc2c(c1)[C@@H](NCCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090539618 159197099 /nfs/dbraw/zinc/19/70/99/159197099.db2.gz MWIOCCKONHDTLK-HNNXBMFYSA-N 0 3 332.360 2.303 10 5 EEBEHN COc1cc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000352781140 162284595 /nfs/dbraw/zinc/28/45/95/162284595.db2.gz XOSRBKMBRQARQJ-UONOGXRCSA-N 0 3 333.388 2.094 10 5 EEBEHN COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000355657003 163261685 /nfs/dbraw/zinc/26/16/85/163261685.db2.gz NYYQJUWABXIXDZ-UHFFFAOYSA-N 0 3 346.362 2.460 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171620185 227177631 /nfs/dbraw/zinc/17/76/31/227177631.db2.gz AXROKNSSFNXXFH-OAHLLOKOSA-N 0 3 331.376 2.292 10 5 EEBEHN C[C@H](N[C@@H](C)[C@H](C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295687075 293790012 /nfs/dbraw/zinc/79/00/12/293790012.db2.gz HVTWWOQCCTUJQT-UTLUCORTSA-N 0 3 329.784 2.182 10 5 EEBEHN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(CC)CC1 ZINC000358617227 465224179 /nfs/dbraw/zinc/22/41/79/465224179.db2.gz PQUIKZZBJCMGDF-UHFFFAOYSA-N 0 3 344.419 2.405 10 5 EEBEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000113269208 462583033 /nfs/dbraw/zinc/58/30/33/462583033.db2.gz AYOMCBVWTGVRHT-SWLSCSKDSA-N 0 3 343.387 2.313 10 5 EEBEHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CC2)CC1 ZINC000061605322 462592087 /nfs/dbraw/zinc/59/20/87/462592087.db2.gz APBMXHTUXLPPES-UHFFFAOYSA-N 0 3 346.431 2.484 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069440609 463246500 /nfs/dbraw/zinc/24/65/00/463246500.db2.gz KAWFVQPTZKOENQ-KRWDZBQOSA-N 0 3 341.411 2.426 10 5 EEBEHN C[C@@]1(CNc2ncc([N+](=O)[O-])c(N)n2)CCCN1Cc1ccccc1 ZINC000160794890 463371234 /nfs/dbraw/zinc/37/12/34/463371234.db2.gz BLECDSMZVSNVBT-KRWDZBQOSA-N 0 3 342.403 2.434 10 5 EEBEHN O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000084493492 463607246 /nfs/dbraw/zinc/60/72/46/463607246.db2.gz PSJBJPWHAVTXND-UHFFFAOYSA-N 0 3 342.399 2.293 10 5 EEBEHN COc1ccc(NC(=O)CCN(C)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000170687736 463695648 /nfs/dbraw/zinc/69/56/48/463695648.db2.gz OFKIUQGAZUJUEP-CYBMUJFWSA-N 0 3 337.376 2.043 10 5 EEBEHN Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000261623571 463805730 /nfs/dbraw/zinc/80/57/30/463805730.db2.gz GIXDVEDXRWTTOJ-DXCKQFNASA-N 0 3 333.388 2.374 10 5 EEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000175436299 464548485 /nfs/dbraw/zinc/54/84/85/464548485.db2.gz SQCAYJUGXOQSLR-CHWSQXEVSA-N 0 3 333.388 2.302 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176092073 464696880 /nfs/dbraw/zinc/69/68/80/464696880.db2.gz ASHVQTDVTSBAOU-AWEZNQCLSA-N 0 3 342.399 2.080 10 5 EEBEHN COc1cc(NCCN2CCC(OC)CC2)c([N+](=O)[O-])cc1F ZINC000301656063 466003854 /nfs/dbraw/zinc/00/38/54/466003854.db2.gz VBTNACWDVFIGPL-UHFFFAOYSA-N 0 3 327.356 2.265 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000357932045 466329631 /nfs/dbraw/zinc/32/96/31/466329631.db2.gz CFXCVEOVXKMETQ-LBPRGKRZSA-N 0 3 333.388 2.374 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341065821 466555923 /nfs/dbraw/zinc/55/59/23/466555923.db2.gz VDTNAHOGGCSLAG-TXEJJXNPSA-N 0 3 345.403 2.464 10 5 EEBEHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000363872638 466642910 /nfs/dbraw/zinc/64/29/10/466642910.db2.gz CJJVEVAQTXCJGE-CQSZACIVSA-N 0 3 326.356 2.123 10 5 EEBEHN CNc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600471231 468566781 /nfs/dbraw/zinc/56/67/81/468566781.db2.gz KBVSAWHYFOOSDU-CQSZACIVSA-N 0 3 332.404 2.383 10 5 EEBEHN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178074 468646737 /nfs/dbraw/zinc/64/67/37/468646737.db2.gz OKHNNLWUDHZYBQ-MRXNPFEDSA-N 0 3 347.415 2.137 10 5 EEBEHN CC[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)N(CC)CC ZINC000601782687 469022927 /nfs/dbraw/zinc/02/29/27/469022927.db2.gz ZVJUEPNKJRSGMB-NVXWUHKLSA-N 0 3 337.420 2.039 10 5 EEBEHN O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCN3C3CCCC3)c21 ZINC000599163105 469143304 /nfs/dbraw/zinc/14/33/04/469143304.db2.gz AYCPVIJMNUCTBI-ZDUSSCGKSA-N 0 3 327.388 2.967 10 5 EEBEHN CN(C)[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602173423 469225488 /nfs/dbraw/zinc/22/54/88/469225488.db2.gz PZJXDHMGAWQBGV-HZPDHXFCSA-N 0 3 347.415 2.403 10 5 EEBEHN CN(C)CCn1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000610044087 469976368 /nfs/dbraw/zinc/97/63/68/469976368.db2.gz QGGTVMLOGFOACO-UHFFFAOYSA-N 0 3 345.403 2.269 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263912759 535958201 /nfs/dbraw/zinc/95/82/01/535958201.db2.gz KKKKVOHADODWDN-MRXNPFEDSA-N 0 3 334.420 2.340 10 5 EEBEHN CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCN(C2CC2)C1 ZINC000733192193 577212596 /nfs/dbraw/zinc/21/25/96/577212596.db2.gz XUENDONKSLUJRY-CYBMUJFWSA-N 0 3 330.388 2.152 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cncs1 ZINC001482932399 1187841791 /nfs/dbraw/zinc/84/17/91/1187841791.db2.gz STTAVJXYBYCWLN-UHFFFAOYSA-N 0 3 348.428 2.232 10 5 EEBEHN CNC(=O)C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000796610752 1221656504 /nfs/dbraw/zinc/65/65/04/1221656504.db2.gz HAINEKMOLXRZNJ-SJORKVTESA-N 0 3 343.383 2.095 10 5 EEBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[S@@](=O)CC(F)(F)F ZINC000850495313 1277245869 /nfs/dbraw/zinc/24/58/69/1277245869.db2.gz ZRNZVCHYGWAVIT-RKFFSXRUSA-N 0 3 336.335 2.483 10 5 EEBEHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000861345154 1295348718 /nfs/dbraw/zinc/34/87/18/1295348718.db2.gz ZLSBKKPSGAASKX-SJKOYZFVSA-N 0 3 347.371 2.342 10 5 EEBEHN CC(COC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000797282423 1304696294 /nfs/dbraw/zinc/69/62/94/1304696294.db2.gz UBROVGNGNXWAOO-NEPJUHHUSA-N 0 3 330.381 2.375 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CNCCC3(F)F)CC2)cc1 ZINC000841079600 1315469761 /nfs/dbraw/zinc/46/97/61/1315469761.db2.gz MBFKYXPTMBKWGH-HNNXBMFYSA-N 0 3 340.374 2.150 10 5 EEBEHN COC1(CC(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001317074755 1332070529 /nfs/dbraw/zinc/07/05/29/1332070529.db2.gz KFTNLSNIFBYJQJ-SHTZXODSSA-N 0 3 347.415 2.291 10 5 EEBEHN Cc1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)n1C ZINC001663813682 1355037695 /nfs/dbraw/zinc/03/76/95/1355037695.db2.gz LMTPMRJANHPNPY-UHFFFAOYSA-N 0 3 330.388 2.104 10 5 EEBEHN CN(CCO)CCN(C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000912609891 788266657 /nfs/dbraw/zinc/26/66/57/788266657.db2.gz QUGUHBBGYLRQJJ-UHFFFAOYSA-N 0 3 337.423 2.384 10 5 EEBEHN Nc1nnc([C@@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001174965850 797951642 /nfs/dbraw/zinc/95/16/42/797951642.db2.gz UVHZSVNREUBECL-GFCCVEGCSA-N 0 3 347.375 2.209 10 5 EEBEHN O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@H]1CCN1C1CCOCC1 ZINC001517121181 1119024142 /nfs/dbraw/zinc/02/41/42/1119024142.db2.gz DSKQHBCPWBIZCL-QGZVFWFLSA-N 0 3 348.399 2.324 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)Cc2ccco2)n1 ZINC001534425986 1123325214 /nfs/dbraw/zinc/32/52/14/1123325214.db2.gz HDLCUMCJIDSWFZ-UHFFFAOYSA-N 0 3 332.360 2.095 10 5 EEBEHN CCNC(=O)N1CC[C@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468981046 245367710 /nfs/dbraw/zinc/36/77/10/245367710.db2.gz MHPVRNWJVUOELK-CTXBLAANSA-N 0 3 332.404 2.392 10 5 EEBEHN CNC(=O)CCOC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000494930089 247037711 /nfs/dbraw/zinc/03/77/11/247037711.db2.gz KVBAODLVSXQDHA-UHFFFAOYSA-N 0 3 335.404 2.020 10 5 EEBEHN CCCc1n[nH]c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000346213049 152854435 /nfs/dbraw/zinc/85/44/35/152854435.db2.gz YCXQCTUFGKMHSN-VXGBXAGGSA-N 0 3 337.424 2.263 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000246440550 160278805 /nfs/dbraw/zinc/27/88/05/160278805.db2.gz NIDPFCSSFCSQJX-YPMHNXCESA-N 0 3 334.376 2.304 10 5 EEBEHN CO[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1C ZINC000342740210 161086932 /nfs/dbraw/zinc/08/69/32/161086932.db2.gz RATONQXXTRGACD-MLGOLLRUSA-N 0 3 349.387 2.250 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000343636769 277162203 /nfs/dbraw/zinc/16/22/03/277162203.db2.gz UVALLLUVERHRTG-GXTWGEPZSA-N 0 3 333.388 2.444 10 5 EEBEHN CC1(C)OCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295237707 293657425 /nfs/dbraw/zinc/65/74/25/293657425.db2.gz OZMNQBVELPERLO-GFCCVEGCSA-N 0 3 327.768 2.344 10 5 EEBEHN CC[C@@H](O)CN1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000301980979 294917063 /nfs/dbraw/zinc/91/70/63/294917063.db2.gz AVKNGIVFGBNQAV-CQSZACIVSA-N 0 3 344.415 2.344 10 5 EEBEHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415767688 313181968 /nfs/dbraw/zinc/18/19/68/313181968.db2.gz UKZLSXUYHSNJOD-LBPRGKRZSA-N 0 3 328.319 2.276 10 5 EEBEHN CO[C@H]1CCCC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000441256526 315176984 /nfs/dbraw/zinc/17/69/84/315176984.db2.gz ASCSEXNIJHDFKI-XHSDSOJGSA-N 0 3 333.388 2.247 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570929651 319711155 /nfs/dbraw/zinc/71/11/55/319711155.db2.gz MGCUVPJCNUDFTP-KRWDZBQOSA-N 0 3 341.367 2.058 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CCCN1CCCO)CCCC2 ZINC000580186490 324011190 /nfs/dbraw/zinc/01/11/90/324011190.db2.gz WOKHHEXSNKGNTB-AWEZNQCLSA-N 0 3 334.420 2.127 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(=O)c2cc(F)c(N3C[C@@H](C)N[C@@H](C)C3)cc21 ZINC000005393654 462658428 /nfs/dbraw/zinc/65/84/28/462658428.db2.gz DMJRIWIYFASLJV-PHIMTYICSA-N 0 3 348.378 2.255 10 5 EEBEHN C[C@]1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCN1Cc1ccccc1 ZINC000154854041 462816483 /nfs/dbraw/zinc/81/64/83/462816483.db2.gz OSXJBGJTENDPCU-QGZVFWFLSA-N 0 3 343.387 2.102 10 5 EEBEHN Cc1cc(OCC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000281654641 464536711 /nfs/dbraw/zinc/53/67/11/464536711.db2.gz NCIATWIIBNMKNH-UONOGXRCSA-N 0 3 335.404 2.223 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000266746618 464807077 /nfs/dbraw/zinc/80/70/77/464807077.db2.gz GCQLBDLZONTYTQ-DZGCQCFKSA-N 0 3 334.420 2.261 10 5 EEBEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282432810 464817449 /nfs/dbraw/zinc/81/74/49/464817449.db2.gz RLRWAOQMMMENHL-GZMMTYOYSA-N 0 3 342.193 2.114 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177011611 464906596 /nfs/dbraw/zinc/90/65/96/464906596.db2.gz LQZKIYOBDUTALN-AWEZNQCLSA-N 0 3 334.420 2.340 10 5 EEBEHN CNC(=O)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349961325 466327752 /nfs/dbraw/zinc/32/77/52/466327752.db2.gz GISGRKHJYXHVDI-UHFFFAOYSA-N 0 3 335.404 2.020 10 5 EEBEHN Nc1nccc([C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366004155 467023611 /nfs/dbraw/zinc/02/36/11/467023611.db2.gz NJAMNAWDUZUDBV-CQSZACIVSA-N 0 3 327.388 2.389 10 5 EEBEHN COc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474523 468568783 /nfs/dbraw/zinc/56/87/83/468568783.db2.gz XVGFRLJGVGRHHQ-AWEZNQCLSA-N 0 3 333.388 2.350 10 5 EEBEHN NC[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594524425 468615786 /nfs/dbraw/zinc/61/57/86/468615786.db2.gz JPQCRFBUIAEKLK-LBPRGKRZSA-N 0 3 348.325 2.106 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCCN1CCO ZINC000595042563 468748439 /nfs/dbraw/zinc/74/84/39/468748439.db2.gz SVGYLBYOJYELGW-UKRRQHHQSA-N 0 3 337.420 2.101 10 5 EEBEHN CCC[C@@H](NC[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595080702 468754125 /nfs/dbraw/zinc/75/41/25/468754125.db2.gz YQEOHPLOROYIFP-SJORKVTESA-N 0 3 338.404 2.194 10 5 EEBEHN CS[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000601145610 468760094 /nfs/dbraw/zinc/76/00/94/468760094.db2.gz PGEDHVJAWVQKHD-OLZOCXBDSA-N 0 3 326.397 2.145 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595468726 468865189 /nfs/dbraw/zinc/86/51/89/468865189.db2.gz KXZHLAIFCJWSKF-OAHLLOKOSA-N 0 3 334.420 2.309 10 5 EEBEHN CC(C)[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1 ZINC000601675619 468962809 /nfs/dbraw/zinc/96/28/09/468962809.db2.gz OSLFFHCLYQZBPP-MRXNPFEDSA-N 0 3 331.416 2.473 10 5 EEBEHN CCN1CCN(CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019615 469089240 /nfs/dbraw/zinc/08/92/40/469089240.db2.gz HXGMUTOJPVKAOQ-UHFFFAOYSA-N 0 3 329.404 2.192 10 5 EEBEHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451227295 536462854 /nfs/dbraw/zinc/46/28/54/536462854.db2.gz DISBCJZNIULLDL-OLZOCXBDSA-N 0 3 349.387 2.245 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451586271 536464294 /nfs/dbraw/zinc/46/42/94/536464294.db2.gz GKEDQWAKSRHLII-OLZOCXBDSA-N 0 3 349.387 2.163 10 5 EEBEHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1I ZINC000813112545 675740898 /nfs/dbraw/zinc/74/08/98/675740898.db2.gz IBNYEQCKKNCUSV-QMMMGPOBSA-N 0 3 349.124 2.422 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000928441714 683164371 /nfs/dbraw/zinc/16/43/71/683164371.db2.gz TUELDBIFFDYBLX-KWQFWETISA-N 0 3 329.303 2.019 10 5 EEBEHN COc1ccc(-c2ccc(CN3C[C@@H]4C[C@]4(O)C3)o2)c([N+](=O)[O-])c1 ZINC000895646207 684673705 /nfs/dbraw/zinc/67/37/05/684673705.db2.gz FFWPJUKFKIKLTA-GTNSWQLSSA-N 0 3 330.340 2.430 10 5 EEBEHN Cc1ccncc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001481217304 1180311894 /nfs/dbraw/zinc/31/18/94/1180311894.db2.gz JOLZWXAYUNSKKC-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccns1 ZINC001268451144 1182641939 /nfs/dbraw/zinc/64/19/39/1182641939.db2.gz DJKNRFQRTCPHBE-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 ZINC001268526361 1183180492 /nfs/dbraw/zinc/18/04/92/1183180492.db2.gz VUSIMXWCBHKPKU-UPHRSURJSA-N 0 3 344.346 2.205 10 5 EEBEHN CN(CCCN(C)C(=O)C1=CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001484738127 1191500996 /nfs/dbraw/zinc/50/09/96/1191500996.db2.gz ADUPHXKAEKMFQX-UHFFFAOYSA-N 0 3 347.415 2.222 10 5 EEBEHN COc1ccc(Br)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813108593 1201120298 /nfs/dbraw/zinc/12/02/98/1201120298.db2.gz IADXVDXUUWZGKL-MRVPVSSYSA-N 0 3 332.150 2.209 10 5 EEBEHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000861351330 1295359302 /nfs/dbraw/zinc/35/93/02/1295359302.db2.gz IDQTVPFWZDYESC-WMLDXEAASA-N 0 3 336.388 2.098 10 5 EEBEHN Cc1nc(C)c(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001264973525 1322822445 /nfs/dbraw/zinc/82/24/45/1322822445.db2.gz AJUAURZQVRUWPX-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(F)cc1Cl ZINC001265845941 1323420023 /nfs/dbraw/zinc/42/00/23/1323420023.db2.gz VKEXDCAJGMDVQC-TZMCWYRMSA-N 0 3 343.786 2.082 10 5 EEBEHN Cc1cnoc1C(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001280874278 1324595408 /nfs/dbraw/zinc/59/54/08/1324595408.db2.gz SFBOHINEKJZUCH-UHFFFAOYSA-N 0 3 346.387 2.485 10 5 EEBEHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001329557103 1334673964 /nfs/dbraw/zinc/67/39/64/1334673964.db2.gz MBQLVXTYIABHHS-CQSZACIVSA-N 0 3 332.404 2.383 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2C2CCOCC2)c([N+](=O)[O-])c1 ZINC001559287804 1342500334 /nfs/dbraw/zinc/50/03/34/1342500334.db2.gz DZILXUZSFFGOHT-CYBMUJFWSA-N 0 3 336.348 2.168 10 5 EEBEHN CCCN1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911478929 787498092 /nfs/dbraw/zinc/49/80/92/787498092.db2.gz VWINBBZAQIGSCO-CYBMUJFWSA-N 0 3 327.331 2.364 10 5 EEBEHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913815954 794320600 /nfs/dbraw/zinc/32/06/00/794320600.db2.gz VZEMXENZGPNFNE-VXGBXAGGSA-N 0 3 338.795 2.139 10 5 EEBEHN NC(=O)c1ccc(CNC2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001175632035 798172331 /nfs/dbraw/zinc/17/23/31/798172331.db2.gz XANYQZOBMYIPFZ-HNNXBMFYSA-N 0 3 333.388 2.275 10 5 EEBEHN CN1CCCC(C)(C)[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000790286030 808560381 /nfs/dbraw/zinc/56/03/81/808560381.db2.gz WUVXFELEJBBPJY-HNNXBMFYSA-N 0 3 348.403 2.458 10 5 EEBEHN C[C@H]1CCCN(CCNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001441355288 1094872228 /nfs/dbraw/zinc/87/22/28/1094872228.db2.gz SQPHOASWYHCAMM-JTQLQIEISA-N 0 3 340.811 2.292 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC000191610771 237261446 /nfs/dbraw/zinc/26/14/46/237261446.db2.gz HLRSEVYSHWAZPZ-CYBMUJFWSA-N 0 3 345.403 2.062 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2C[C@H]1CS2 ZINC000459792915 245250028 /nfs/dbraw/zinc/25/00/28/245250028.db2.gz KGOBPKOCFSRBRN-RYUDHWBXSA-N 0 3 337.401 2.122 10 5 EEBEHN CCOc1cc(N2CCN(C[C@@H](C)O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000174914570 255847452 /nfs/dbraw/zinc/84/74/52/255847452.db2.gz RZBPXULRLNVHJA-ZIAGYGMSSA-N 0 3 337.420 2.275 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C ZINC000342438702 161065569 /nfs/dbraw/zinc/06/55/69/161065569.db2.gz PFSHCQDDIBGLSG-QWRGUYRKSA-N 0 3 341.358 2.357 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344765528 161244387 /nfs/dbraw/zinc/24/43/87/161244387.db2.gz CKXXAELRZNJNGB-LBPRGKRZSA-N 0 3 332.404 2.245 10 5 EEBEHN Cc1cc(N2CCC[C@@H](NCc3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277647705 269167361 /nfs/dbraw/zinc/16/73/61/269167361.db2.gz FDEDMWZAEWYIEB-OAHLLOKOSA-N 0 3 329.404 2.395 10 5 EEBEHN CCN1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H]1C ZINC000349589633 276243070 /nfs/dbraw/zinc/24/30/70/276243070.db2.gz ZFLKDOMPADJMDC-QWHCGFSZSA-N 0 3 344.419 2.309 10 5 EEBEHN CN1CCN(C[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000065568659 277107151 /nfs/dbraw/zinc/10/71/51/277107151.db2.gz XYAZFRWVMLIUBY-AWEZNQCLSA-N 0 3 336.411 2.198 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359393761 312402006 /nfs/dbraw/zinc/40/20/06/312402006.db2.gz SODKRTDFSWPFHY-LLVKDONJSA-N 0 3 343.330 2.362 10 5 EEBEHN NC(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000127842323 462587827 /nfs/dbraw/zinc/58/78/27/462587827.db2.gz GXGSKLJILAMJDC-CABCVRRESA-N 0 3 343.387 2.164 10 5 EEBEHN Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160736341 463365850 /nfs/dbraw/zinc/36/58/50/463365850.db2.gz UJORCARMUIMQJY-NSHDSACASA-N 0 3 335.385 2.075 10 5 EEBEHN COCCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000263775394 464186316 /nfs/dbraw/zinc/18/63/16/464186316.db2.gz NREKUFVUHVXZSH-UHFFFAOYSA-N 0 3 335.404 2.134 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]2CN(C)C)c1 ZINC000281510288 464484787 /nfs/dbraw/zinc/48/47/87/464484787.db2.gz INDMCEMDYSAXPI-AWEZNQCLSA-N 0 3 335.404 2.225 10 5 EEBEHN COc1cc(CN[C@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272242445 464533216 /nfs/dbraw/zinc/53/32/16/464533216.db2.gz AUJDHYBSFDQDMV-NXEZZACHSA-N 0 3 348.346 2.354 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339962149 465637673 /nfs/dbraw/zinc/63/76/73/465637673.db2.gz FAPZTEHBQPNFTJ-CQSZACIVSA-N 0 3 349.431 2.099 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000340301216 465969500 /nfs/dbraw/zinc/96/95/00/465969500.db2.gz JUWJPRVCIARNJK-DZGCQCFKSA-N 0 3 334.420 2.261 10 5 EEBEHN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H](c1ccccc1)N(C)C ZINC000357686245 466210162 /nfs/dbraw/zinc/21/01/62/466210162.db2.gz OQWDCGFGMDHODI-SJCJKPOMSA-N 0 3 340.387 2.741 10 5 EEBEHN Cc1cc(CCN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)on1 ZINC000353995997 466311050 /nfs/dbraw/zinc/31/10/50/466311050.db2.gz MXOGLGLFWOFNJM-NSHDSACASA-N 0 3 332.360 2.441 10 5 EEBEHN CN1CC[C@](O)(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253534 466574205 /nfs/dbraw/zinc/57/42/05/466574205.db2.gz OBAHSKOWLGKFGA-MOPGFXCFSA-N 0 3 341.411 2.340 10 5 EEBEHN CN(C)C1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448942412 467606988 /nfs/dbraw/zinc/60/69/88/467606988.db2.gz RGXLHBBEMFUQBW-UHFFFAOYSA-N 0 3 333.388 2.110 10 5 EEBEHN CC[C@H](N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000449419600 467642442 /nfs/dbraw/zinc/64/24/42/467642442.db2.gz BNGUFTSJKWGDQP-LQJRIPTKSA-N 0 3 345.346 2.306 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C)C)c(C)c2)n1 ZINC000458271033 467800998 /nfs/dbraw/zinc/80/09/98/467800998.db2.gz UAPJWLKZAFEDEO-UHFFFAOYSA-N 0 3 331.376 2.434 10 5 EEBEHN O=[N+]([O-])c1cccc2c1ccnc2NC[C@H](O)CN1CCCCC1 ZINC000450256094 467810057 /nfs/dbraw/zinc/81/00/57/467810057.db2.gz FIKVJXZGIYWSQE-ZDUSSCGKSA-N 0 3 330.388 2.402 10 5 EEBEHN CC(C)N1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487194178 468027792 /nfs/dbraw/zinc/02/77/92/468027792.db2.gz ILESUYMQGYSHGK-LLVKDONJSA-N 0 3 341.358 2.405 10 5 EEBEHN CN(C)CCn1cc(Nc2c3ccccc3ncc2[N+](=O)[O-])cn1 ZINC000589860700 468190836 /nfs/dbraw/zinc/19/08/36/468190836.db2.gz HCVYZMWIAZMWJL-UHFFFAOYSA-N 0 3 326.360 2.067 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)[C@@H](CO)C2CCC2)c1 ZINC000592139532 468634532 /nfs/dbraw/zinc/63/45/32/468634532.db2.gz LUCVDJXUBCLAMJ-SFHVURJKSA-N 0 3 344.415 2.455 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCCN1CCO ZINC000595042558 468747649 /nfs/dbraw/zinc/74/76/49/468747649.db2.gz SVGYLBYOJYELGW-HIFRSBDPSA-N 0 3 337.420 2.101 10 5 EEBEHN COc1cc(CN[C@H](CO)[C@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595630752 468930721 /nfs/dbraw/zinc/93/07/21/468930721.db2.gz BXDBPDZMYFXIKR-SOUVJXGZSA-N 0 3 338.404 2.259 10 5 EEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180985208 528292367 /nfs/dbraw/zinc/29/23/67/528292367.db2.gz JNGRCPWYFJTSBH-LBPRGKRZSA-N 0 3 337.376 2.030 10 5 EEBEHN CN(C)CCOc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000762215455 577697378 /nfs/dbraw/zinc/69/73/78/577697378.db2.gz YXBOCZVTNWZWRS-UHFFFAOYSA-N 0 3 344.371 2.207 10 5 EEBEHN COCCN1CCC[C@@H](NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000755264228 577822636 /nfs/dbraw/zinc/82/26/36/577822636.db2.gz VXQVGUYTFIOTSU-OBEJXRGXSA-N 0 3 347.415 2.225 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1 ZINC001266745547 1177337678 /nfs/dbraw/zinc/33/76/78/1177337678.db2.gz AMZIQJASKLCEPN-UHFFFAOYSA-N 0 3 327.384 2.386 10 5 EEBEHN Cc1cc(C)c(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001481247214 1180445581 /nfs/dbraw/zinc/44/55/81/1180445581.db2.gz LSGVRLXERCMDPE-UHFFFAOYSA-N 0 3 330.388 2.402 10 5 EEBEHN O=C(CN[C@]12CCC[C@H]1OCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000872313697 1198142524 /nfs/dbraw/zinc/14/25/24/1198142524.db2.gz PEHBQPUCEIOGIF-HIFRSBDPSA-N 0 3 339.779 2.488 10 5 EEBEHN CC(C)N1CCN(c2ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc2)CC1 ZINC000814041200 1199269986 /nfs/dbraw/zinc/26/99/86/1199269986.db2.gz QKGWAOLIIYMTRW-AWEZNQCLSA-N 0 3 335.404 2.039 10 5 EEBEHN Cc1ccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868488537 1201821224 /nfs/dbraw/zinc/82/12/24/1201821224.db2.gz DOZAOGOSLUABFR-ZDUSSCGKSA-N 0 3 332.404 2.353 10 5 EEBEHN O=[N+]([O-])c1ccc(OC2CCN(CCO[C@H]3CCOC3)CC2)cc1 ZINC000929748117 1206497745 /nfs/dbraw/zinc/49/77/45/1206497745.db2.gz IMWNCUFIYIBZFR-KRWDZBQOSA-N 0 3 336.388 2.244 10 5 EEBEHN C[C@@H]1C[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000930680209 1206575368 /nfs/dbraw/zinc/57/53/68/1206575368.db2.gz BHDKKOOJXNWZNZ-FICVDOATSA-N 0 3 334.420 2.315 10 5 EEBEHN COc1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850348418 1277191859 /nfs/dbraw/zinc/19/18/59/1277191859.db2.gz LOZBVDZNDYMVSQ-JOCHJYFZSA-N 0 3 340.323 2.004 10 5 EEBEHN C/C=C(\C)C(=O)N1CCC(CC)(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001273750622 1284760022 /nfs/dbraw/zinc/76/00/22/1284760022.db2.gz VLWDBRUBPYSJQR-WLRTZDKTSA-N 0 3 349.435 2.155 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC001273929461 1289920718 /nfs/dbraw/zinc/92/07/18/1289920718.db2.gz SDFCDXMXUGAWJC-OWOJBTEDSA-N 0 3 344.346 2.205 10 5 EEBEHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852351150 1292096911 /nfs/dbraw/zinc/09/69/11/1292096911.db2.gz JAELBCVJKNEPOG-GLQYFDAESA-N 0 3 326.368 2.390 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859208297 1294349248 /nfs/dbraw/zinc/34/92/48/1294349248.db2.gz LRJZBGWUUSWAAR-LLVKDONJSA-N 0 3 341.795 2.089 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001352562399 1337981382 /nfs/dbraw/zinc/98/13/82/1337981382.db2.gz BVQBHEUREPCOKH-IAGOWNOFSA-N 0 3 347.415 2.011 10 5 EEBEHN Cc1ncc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001668740354 1355995702 /nfs/dbraw/zinc/99/57/02/1355995702.db2.gz ULTOCVQVSXLJNO-NSCUHMNNSA-N 0 3 346.412 2.436 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000908346869 785339877 /nfs/dbraw/zinc/33/98/77/785339877.db2.gz ILXBLGVRRPXUAE-UFBFGSQYSA-N 0 3 327.743 2.163 10 5 EEBEHN Cn1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000819182445 785451971 /nfs/dbraw/zinc/45/19/71/785451971.db2.gz CUESQIUGCBTJST-LBPRGKRZSA-N 0 3 344.293 2.170 10 5 EEBEHN CN1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001178710000 799599883 /nfs/dbraw/zinc/59/98/83/799599883.db2.gz UNLHKOREINFDSF-ZDUSSCGKSA-N 0 3 325.796 2.247 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(=O)[nH]1 ZINC001460829029 1110325628 /nfs/dbraw/zinc/32/56/28/1110325628.db2.gz NOLWWRMDTCHREQ-UHFFFAOYSA-N 0 3 344.371 2.464 10 5 EEBEHN CN1CC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1ccccc1 ZINC000242047897 243009159 /nfs/dbraw/zinc/00/91/59/243009159.db2.gz VQYMHDXOOQUUNH-SUMWQHHRSA-N 0 3 338.371 2.495 10 5 EEBEHN Cc1nccn1C[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154412540 224250323 /nfs/dbraw/zinc/25/03/23/224250323.db2.gz SWKRWXFGQZKWMC-SJORKVTESA-N 0 3 330.388 2.298 10 5 EEBEHN Cn1cc([C@@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000173313159 152158737 /nfs/dbraw/zinc/15/87/37/152158737.db2.gz RAGMKLYQAPNZHK-INIZCTEOSA-N 0 3 343.387 2.494 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCCO1 ZINC000076300042 159083569 /nfs/dbraw/zinc/08/35/69/159083569.db2.gz PMAAGIJEEKMSJQ-ZDUSSCGKSA-N 0 3 337.376 2.043 10 5 EEBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000245662900 160246842 /nfs/dbraw/zinc/24/68/42/160246842.db2.gz ACLRCYWZDPAQOW-STQMWFEESA-N 0 3 340.383 2.452 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000368320525 166087379 /nfs/dbraw/zinc/08/73/79/166087379.db2.gz YQTPMVVUXWSSJN-QFBILLFUSA-N 0 3 346.475 2.361 10 5 EEBEHN C[C@](O)(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000370061010 166385894 /nfs/dbraw/zinc/38/58/94/166385894.db2.gz RRFVNDBEWXJHBK-KRWDZBQOSA-N 0 3 330.388 2.336 10 5 EEBEHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000291368886 275298593 /nfs/dbraw/zinc/29/85/93/275298593.db2.gz UOFJUPXPBSTODD-KRWDZBQOSA-N 0 3 337.395 2.466 10 5 EEBEHN COC[C@@](C)(CCO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292841437 275487148 /nfs/dbraw/zinc/48/71/48/275487148.db2.gz PSFBBIHMVIQFJA-CYBMUJFWSA-N 0 3 336.310 2.491 10 5 EEBEHN CC[C@@H](NC(=O)CCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177808144 463795841 /nfs/dbraw/zinc/79/58/41/463795841.db2.gz ZUPHLWKRKQNXIU-QGZVFWFLSA-N 0 3 348.447 2.190 10 5 EEBEHN Cc1ccc([C@@H]2CCCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173654116 464302075 /nfs/dbraw/zinc/30/20/75/464302075.db2.gz FVAZTOOEQDQVNV-GJZGRUSLSA-N 0 3 334.376 2.281 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188705249 464348312 /nfs/dbraw/zinc/34/83/12/464348312.db2.gz FAQHEMWQVKKQED-CQSZACIVSA-N 0 3 335.404 2.468 10 5 EEBEHN C[C@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246631223 464606922 /nfs/dbraw/zinc/60/69/22/464606922.db2.gz BEASUQXTYNHXBQ-IAQYHMDHSA-N 0 3 338.795 2.499 10 5 EEBEHN CN1CCN(CCNCc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000282500523 464842809 /nfs/dbraw/zinc/84/28/09/464842809.db2.gz WOXIASQBVMSEEU-UHFFFAOYSA-N 0 3 340.855 2.364 10 5 EEBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000286466423 464928093 /nfs/dbraw/zinc/92/80/93/464928093.db2.gz RQIMSWAIEMIUGR-STQMWFEESA-N 0 3 340.811 2.333 10 5 EEBEHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000353167815 465689598 /nfs/dbraw/zinc/68/95/98/465689598.db2.gz BVSYDICTFNHHNI-CQSZACIVSA-N 0 3 335.404 2.484 10 5 EEBEHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228826 468501832 /nfs/dbraw/zinc/50/18/32/468501832.db2.gz GFQYODPKLIKUKN-ZDUSSCGKSA-N 0 3 332.404 2.314 10 5 EEBEHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1CCO ZINC000419008243 467161485 /nfs/dbraw/zinc/16/14/85/467161485.db2.gz VJODXKSTSVYDIZ-OLZOCXBDSA-N 0 3 330.388 2.034 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600468691 468566221 /nfs/dbraw/zinc/56/62/21/468566221.db2.gz GLTNCHBCJLEHFH-AWEZNQCLSA-N 0 3 333.388 2.350 10 5 EEBEHN C[C@]1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]2C1 ZINC000600753626 468648754 /nfs/dbraw/zinc/64/87/54/468648754.db2.gz BPVDITORMMROMX-VIKVFOODSA-N 0 3 338.429 2.394 10 5 EEBEHN CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000597946298 468721115 /nfs/dbraw/zinc/72/11/15/468721115.db2.gz NSAQHUVGGZNEGA-CQSZACIVSA-N 0 3 335.404 2.225 10 5 EEBEHN COCCN(CCN(C)C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601039153 468726865 /nfs/dbraw/zinc/72/68/65/468726865.db2.gz DRUKQIHFXRFFMQ-UHFFFAOYSA-N 0 3 349.431 2.053 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H](N2CCCC2)C1 ZINC000601105215 468742434 /nfs/dbraw/zinc/74/24/34/468742434.db2.gz VRHABIYSEQKRBP-SNVBAGLBSA-N 0 3 347.341 2.412 10 5 EEBEHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601128850 468754157 /nfs/dbraw/zinc/75/41/57/468754157.db2.gz DZXLSNAGONFMHJ-APPZFPTMSA-N 0 3 333.314 2.242 10 5 EEBEHN CS[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000601145609 468760049 /nfs/dbraw/zinc/76/00/49/468760049.db2.gz PGEDHVJAWVQKHD-CHWSQXEVSA-N 0 3 326.397 2.145 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000601168741 468768654 /nfs/dbraw/zinc/76/86/54/468768654.db2.gz BEOYVWGAALYGTQ-ZDUSSCGKSA-N 0 3 347.341 2.269 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552023 469290805 /nfs/dbraw/zinc/29/08/05/469290805.db2.gz COJOKRDWQXGQNZ-BMFZPTHFSA-N 0 3 338.429 2.304 10 5 EEBEHN COc1ccc(OCCN2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000599639314 469318809 /nfs/dbraw/zinc/31/88/09/469318809.db2.gz BUUSMCAQIFZMTI-SUMWQHHRSA-N 0 3 336.388 2.077 10 5 EEBEHN CN1CCC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610105213 469980884 /nfs/dbraw/zinc/98/08/84/469980884.db2.gz HYEKLWLXPPKWJS-OAHLLOKOSA-N 0 3 334.420 2.311 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccoc1 ZINC001268445399 1182614183 /nfs/dbraw/zinc/61/41/83/1182614183.db2.gz DBJICTUULGHCFP-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccsn1 ZINC001483022232 1188011656 /nfs/dbraw/zinc/01/16/56/1188011656.db2.gz GNVOAFQDAGRTOI-UPHRSURJSA-N 0 3 332.385 2.127 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1ccccn1 ZINC001483448989 1190483577 /nfs/dbraw/zinc/48/35/77/1190483577.db2.gz NGIXYONWXJAPMB-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000874827780 1199023148 /nfs/dbraw/zinc/02/31/48/1199023148.db2.gz UDCHRVBDJIGCEV-HZMVEIRTSA-N 0 3 329.400 2.393 10 5 EEBEHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924527861 1205991270 /nfs/dbraw/zinc/99/12/70/1205991270.db2.gz CJUAWNWVHDXVQK-JSGCOSHPSA-N 0 3 346.387 2.062 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccco1 ZINC001273674111 1282955632 /nfs/dbraw/zinc/95/56/32/1282955632.db2.gz QHYNGCPLIJEXSY-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3NCc4ccccc43)n2)n1C ZINC000854153576 1292649872 /nfs/dbraw/zinc/64/98/72/1292649872.db2.gz OALUZULOICAKLN-GFCCVEGCSA-N 0 3 340.343 2.074 10 5 EEBEHN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000855491271 1293231012 /nfs/dbraw/zinc/23/10/12/1293231012.db2.gz YTNXDJVBSFJPNQ-GFCCVEGCSA-N 0 3 336.348 2.059 10 5 EEBEHN CC(C)(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC001296445311 1329892479 /nfs/dbraw/zinc/89/24/79/1329892479.db2.gz TZMLGGQUSJZXFN-UHFFFAOYSA-N 0 3 347.415 2.449 10 5 EEBEHN Cc1cc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)no1 ZINC001322403606 1333260023 /nfs/dbraw/zinc/26/00/23/1333260023.db2.gz SWIMOQJAWVFMHN-UHFFFAOYSA-N 0 3 338.389 2.205 10 5 EEBEHN Cc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC001629285152 1352550641 /nfs/dbraw/zinc/55/06/41/1352550641.db2.gz PKEQUAJHZGRNTH-UHFFFAOYSA-N 0 3 329.360 2.194 10 5 EEBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001652316644 1354087220 /nfs/dbraw/zinc/08/72/20/1354087220.db2.gz BQHGQXBNGJDLID-RHSMWYFYSA-N 0 3 328.372 2.298 10 5 EEBEHN Cc1ccc([C@@H](C)NC[C@H](O)CN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001653035470 1354111392 /nfs/dbraw/zinc/11/13/92/1354111392.db2.gz QOGSPABXDFEIRN-YPMHNXCESA-N 0 3 349.353 2.409 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)Cc1cccnc1 ZINC001656461939 1354241004 /nfs/dbraw/zinc/24/10/04/1354241004.db2.gz YNGQGBURNLPHND-GFCCVEGCSA-N 0 3 344.371 2.158 10 5 EEBEHN CC(C)OCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001661569435 1354660427 /nfs/dbraw/zinc/66/04/27/1354660427.db2.gz PPFLHQJNMSBGHV-GASCZTMLSA-N 0 3 335.404 2.147 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844442488 789126876 /nfs/dbraw/zinc/12/68/76/789126876.db2.gz YRVRKVDKKPIKCM-IUODEOHRSA-N 0 3 342.342 2.456 10 5 EEBEHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1(C(F)F)CC1 ZINC001480138649 1099703910 /nfs/dbraw/zinc/70/39/10/1099703910.db2.gz KPBOBKVURHFRAC-HAQNSBGRSA-N 0 3 339.342 2.377 10 5 EEBEHN O=C(/C=C\c1ccc[nH]1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001497573294 1102684777 /nfs/dbraw/zinc/68/47/77/1102684777.db2.gz ODBHRUBVBQFEAZ-YRAIRHMHSA-N 0 3 340.383 2.398 10 5 EEBEHN Cc1ncsc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001493484448 1108223146 /nfs/dbraw/zinc/22/31/46/1108223146.db2.gz GVLONTLJQBPVGP-UHFFFAOYSA-N 0 3 334.401 2.222 10 5 EEBEHN CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000065971083 215001985 /nfs/dbraw/zinc/00/19/85/215001985.db2.gz HQPOPMLSKVERMS-UHFFFAOYSA-N 0 3 347.462 2.151 10 5 EEBEHN CN(c1ncnc(Nc2cccnc2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040628556 213361503 /nfs/dbraw/zinc/36/15/03/213361503.db2.gz CWIUXDDRVDNEDW-UHFFFAOYSA-N 0 3 343.391 2.054 10 5 EEBEHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451238151 243043202 /nfs/dbraw/zinc/04/32/02/243043202.db2.gz CRUAHGZLYFAULC-IINYFYTJSA-N 0 3 337.376 2.088 10 5 EEBEHN COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273378260 256291312 /nfs/dbraw/zinc/29/13/12/256291312.db2.gz BRKZFGOATNHTAC-GOEBONIOSA-N 0 3 349.431 2.266 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000191700533 152269080 /nfs/dbraw/zinc/26/90/80/152269080.db2.gz ZFTZWVKBXBJXKS-ZDUSSCGKSA-N 0 3 345.403 2.062 10 5 EEBEHN COc1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000249950916 160387237 /nfs/dbraw/zinc/38/72/37/160387237.db2.gz HMPWVHBBZQLXDV-RISCZKNCSA-N 0 3 333.388 2.221 10 5 EEBEHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000195311857 160210210 /nfs/dbraw/zinc/21/02/10/160210210.db2.gz QPFZZYDZJCNQLQ-CQSZACIVSA-N 0 3 330.388 2.089 10 5 EEBEHN Cc1cc(N2CCC[C@@H](NCc3csc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000369297702 166232018 /nfs/dbraw/zinc/23/20/18/166232018.db2.gz HAYXKIANJDECNG-CYBMUJFWSA-N 0 3 335.433 2.457 10 5 EEBEHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000289486030 275120451 /nfs/dbraw/zinc/12/04/51/275120451.db2.gz CGVNSHQNMVIHRO-KRWDZBQOSA-N 0 3 337.395 2.466 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](N3CCCC3)C2)c1 ZINC000302104267 294930482 /nfs/dbraw/zinc/93/04/82/294930482.db2.gz RGYPMEIMMCFUKU-AWEZNQCLSA-N 0 3 333.388 2.446 10 5 EEBEHN C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCCC1 ZINC000542920116 318147525 /nfs/dbraw/zinc/14/75/25/318147525.db2.gz FZSSUMZOGNBOAE-SNVBAGLBSA-N 0 3 343.330 2.410 10 5 EEBEHN COc1cc(C(=O)N2CCc3ccccc3[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000577872295 320281594 /nfs/dbraw/zinc/28/15/94/320281594.db2.gz CZQWEPLEVROEPR-INIZCTEOSA-N 0 3 341.367 2.302 10 5 EEBEHN Cc1ccc(OC[C@H](O)CNCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000582542495 324474369 /nfs/dbraw/zinc/47/43/69/324474369.db2.gz YDLQYTBOGFHNBV-MRXNPFEDSA-N 0 3 346.383 2.312 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047143225 462748093 /nfs/dbraw/zinc/74/80/93/462748093.db2.gz IADAVTXKGXVMBG-LLVKDONJSA-N 0 3 331.376 2.075 10 5 EEBEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116320603 462752955 /nfs/dbraw/zinc/75/29/55/462752955.db2.gz ZLFNICWNDZLOGB-CYBMUJFWSA-N 0 3 343.387 2.146 10 5 EEBEHN NC(=O)c1coc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000187731594 464155675 /nfs/dbraw/zinc/15/56/75/464155675.db2.gz IEFUSBPGBWKGNH-HNNXBMFYSA-N 0 3 329.356 2.398 10 5 EEBEHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271453092 464315410 /nfs/dbraw/zinc/31/54/10/464315410.db2.gz WBPFKXBMCIUGOX-UHFFFAOYSA-N 0 3 345.403 2.052 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2ccnn2CCO)CC1 ZINC000183317476 464849833 /nfs/dbraw/zinc/84/98/33/464849833.db2.gz SQWANRGWMQLDHX-UHFFFAOYSA-N 0 3 344.415 2.472 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177115280 464935082 /nfs/dbraw/zinc/93/50/82/464935082.db2.gz KVJQFCFCDPFLIY-WCQYABFASA-N 0 3 333.388 2.349 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000286522184 464946782 /nfs/dbraw/zinc/94/67/82/464946782.db2.gz BZFMZFSOIXMRRZ-CYBMUJFWSA-N 0 3 348.403 2.149 10 5 EEBEHN CC[C@@H](C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000295917243 465004946 /nfs/dbraw/zinc/00/49/46/465004946.db2.gz JOJUEYSZHNVKSI-CYBMUJFWSA-N 0 3 344.419 2.311 10 5 EEBEHN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCCO1 ZINC000594041078 468469794 /nfs/dbraw/zinc/46/97/94/468469794.db2.gz CEFUHXFRQDXARL-RDJZCZTQSA-N 0 3 347.415 2.421 10 5 EEBEHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)CN1CCO ZINC000419010701 467161610 /nfs/dbraw/zinc/16/16/10/467161610.db2.gz YNAGIRDHYJKEMR-STQMWFEESA-N 0 3 330.388 2.034 10 5 EEBEHN C[C@]12CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000428721062 467262047 /nfs/dbraw/zinc/26/20/47/467262047.db2.gz SKUANFXGCPKYGJ-CFVMTHIKSA-N 0 3 342.342 2.312 10 5 EEBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449357529 467632980 /nfs/dbraw/zinc/63/29/80/467632980.db2.gz AXCLKJLRFMUAND-IOTGCTKJSA-N 0 3 331.416 2.403 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000590045956 468207095 /nfs/dbraw/zinc/20/70/95/468207095.db2.gz ZDCKLRSTMQPZBC-TVQRCGJNSA-N 0 3 343.305 2.390 10 5 EEBEHN Cc1cc(NCC(C)(C)[C@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591988975 468591479 /nfs/dbraw/zinc/59/14/79/468591479.db2.gz ZLZOZWUSDYVOLJ-SFHVURJKSA-N 0 3 345.399 2.463 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597861368 468697256 /nfs/dbraw/zinc/69/72/56/468697256.db2.gz SUJQBLRARQCLEZ-SNVBAGLBSA-N 0 3 341.358 2.405 10 5 EEBEHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963215 468732672 /nfs/dbraw/zinc/73/26/72/468732672.db2.gz HVMSHSWRTAYWLK-PEYYIBSZSA-N 0 3 326.368 2.390 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000571364323 468776407 /nfs/dbraw/zinc/77/64/07/468776407.db2.gz AYSZFPLLKMBLEG-UKRRQHHQSA-N 0 3 336.779 2.083 10 5 EEBEHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000610733155 469053582 /nfs/dbraw/zinc/05/35/82/469053582.db2.gz UQWSAFKPNQEXIL-QGZVFWFLSA-N 0 3 347.415 2.312 10 5 EEBEHN O=C(C[C@H]1NCc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595954022 469097425 /nfs/dbraw/zinc/09/74/25/469097425.db2.gz OSDGJIATAUIVJS-QGZVFWFLSA-N 0 3 338.367 2.109 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](O)Cc1ccccc1)OCCO2 ZINC000588928026 469180729 /nfs/dbraw/zinc/18/07/29/469180729.db2.gz ZDIIQKHATGHCKN-HNNXBMFYSA-N 0 3 344.367 2.059 10 5 EEBEHN CCN(CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189664580 528269243 /nfs/dbraw/zinc/26/92/43/528269243.db2.gz NUSXEUYGCYYYCO-LLVKDONJSA-N 0 3 329.422 2.141 10 5 EEBEHN COCCN1CCC[C@@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000755264230 577822643 /nfs/dbraw/zinc/82/26/43/577822643.db2.gz VXQVGUYTFIOTSU-WCRPCQDQSA-N 0 3 347.415 2.225 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896137146 684855944 /nfs/dbraw/zinc/85/59/44/684855944.db2.gz BOYSBCJAFIGWMS-CQSZACIVSA-N 0 3 335.404 2.052 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C2CC2)n[nH]1 ZINC001266843180 1177528494 /nfs/dbraw/zinc/52/84/94/1177528494.db2.gz FXNZIBXFDJZTIL-UHFFFAOYSA-N 0 3 343.387 2.057 10 5 EEBEHN CC(C)c1ccc(CNC[C@@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000865768523 1198368078 /nfs/dbraw/zinc/36/80/78/1198368078.db2.gz KMFQLGXGSOZHES-QGZVFWFLSA-N 0 3 349.387 2.029 10 5 EEBEHN CCN(CC)CCS(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000810056716 1199228534 /nfs/dbraw/zinc/22/85/34/1199228534.db2.gz CDHDKQDGZLCNMR-UHFFFAOYSA-N 0 3 336.797 2.299 10 5 EEBEHN O=C(CN[C@@H]1CCC[C@]12CCCO2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880506394 1201506928 /nfs/dbraw/zinc/50/69/28/1201506928.db2.gz JEJXWXQPEDWXER-AEFFLSMTSA-N 0 3 345.399 2.175 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886615452 1202534243 /nfs/dbraw/zinc/53/42/43/1202534243.db2.gz GSDWMXRCGXNXJL-FZMZJTMJSA-N 0 3 345.321 2.421 10 5 EEBEHN CC1(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001274447833 1205042085 /nfs/dbraw/zinc/04/20/85/1205042085.db2.gz GWSZQUDFAJBVLD-IHWYPQMZSA-N 0 3 347.415 2.174 10 5 EEBEHN Cc1cnoc1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001326910942 1205835980 /nfs/dbraw/zinc/83/59/80/1205835980.db2.gz LZQSKBOCMYXYFA-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN CCc1ncoc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001265920857 1323487503 /nfs/dbraw/zinc/48/75/03/1323487503.db2.gz AMPPUHOXQXAAFT-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN O=C(Cc1ccc[nH]1)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001316622613 1325815104 /nfs/dbraw/zinc/81/51/04/1325815104.db2.gz CCFNCTKOPYRLMW-AKAXFMLLSA-N 0 3 342.399 2.150 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]cc1C ZINC001320922792 1332980285 /nfs/dbraw/zinc/98/02/85/1332980285.db2.gz YAHFIQFRSWRFLB-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN Cc1nc[nH]c1C(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001327299597 1334262476 /nfs/dbraw/zinc/26/24/76/1334262476.db2.gz PACOWFGTTRIRJN-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001622828133 1352389487 /nfs/dbraw/zinc/38/94/87/1352389487.db2.gz ZFMQXUIVROULOL-PSASIEDQSA-N 0 3 338.795 2.185 10 5 EEBEHN COc1ccc(NC(=O)CN[C@@H]2CCC[C@]23CCCO3)c([N+](=O)[O-])c1 ZINC001644298173 1352760635 /nfs/dbraw/zinc/76/06/35/1352760635.db2.gz YKMYRQKFJDGNTC-WBVHZDCISA-N 0 3 349.387 2.233 10 5 EEBEHN CC(=O)N1CCC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001652352712 1354089371 /nfs/dbraw/zinc/08/93/71/1354089371.db2.gz SSMTYJCKQSMYLL-LBPRGKRZSA-N 0 3 332.360 2.084 10 5 EEBEHN Cc1ccc([C@H](C)NC[C@H](O)CN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001653035467 1354111149 /nfs/dbraw/zinc/11/11/49/1354111149.db2.gz QOGSPABXDFEIRN-AAEUAGOBSA-N 0 3 349.353 2.409 10 5 EEBEHN CC(C)CC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001671921892 1356439460 /nfs/dbraw/zinc/43/94/60/1356439460.db2.gz RQTWJTRKQKFASD-UHFFFAOYSA-N 0 3 349.431 2.396 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844433989 789120414 /nfs/dbraw/zinc/12/04/14/789120414.db2.gz PGTZHZKYGLZPQF-ZFWWWQNUSA-N 0 3 342.342 2.456 10 5 EEBEHN COC(=O)C[C@](C)(NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC001175522588 798144256 /nfs/dbraw/zinc/14/42/56/798144256.db2.gz JKQWIVXDRPLFKU-KRWDZBQOSA-N 0 3 349.387 2.163 10 5 EEBEHN CCN(CCCNC(=O)c1cnns1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479838293 1099123114 /nfs/dbraw/zinc/12/31/14/1099123114.db2.gz BTELQQHRDXSICF-UHFFFAOYSA-N 0 3 349.416 2.088 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(CC(N)=O)CCCCC2)c1 ZINC001473868721 1110583323 /nfs/dbraw/zinc/58/33/23/1110583323.db2.gz GUQAOGLBJSTKTD-UHFFFAOYSA-N 0 3 349.387 2.049 10 5 EEBEHN CN(C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001542937424 1124118240 /nfs/dbraw/zinc/11/82/40/1124118240.db2.gz QAZROSHYESLZGN-UHFFFAOYSA-N 0 3 328.372 2.169 10 5 EEBEHN COC(=O)[C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000066835983 215084523 /nfs/dbraw/zinc/08/45/23/215084523.db2.gz KYHBGUWYRUBMRV-CYBMUJFWSA-N 0 3 349.387 2.117 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000191373424 239074237 /nfs/dbraw/zinc/07/42/37/239074237.db2.gz KZPNGAZEZIGZIW-ZDUSSCGKSA-N 0 3 336.392 2.006 10 5 EEBEHN COC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181675036 533088534 /nfs/dbraw/zinc/08/85/34/533088534.db2.gz NOSOYAADEVMPHP-AEFFLSMTSA-N 0 3 346.383 2.312 10 5 EEBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000248746684 160359660 /nfs/dbraw/zinc/35/96/60/160359660.db2.gz FNIRSCJSEWVHKC-WBVHZDCISA-N 0 3 331.416 2.470 10 5 EEBEHN CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCN(C2CC2)C1 ZINC000345637033 161318143 /nfs/dbraw/zinc/31/81/43/161318143.db2.gz UTAOFELIPLDAEN-CYBMUJFWSA-N 0 3 340.383 2.452 10 5 EEBEHN C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000358969495 164026098 /nfs/dbraw/zinc/02/60/98/164026098.db2.gz CRGBMRDMIBTFFI-SECBINFHSA-N 0 3 343.330 2.409 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(N(C)C)CCSC2)c1 ZINC000360136122 164240871 /nfs/dbraw/zinc/24/08/71/164240871.db2.gz SSWQYBGJWWPTLX-OAHLLOKOSA-N 0 3 339.417 2.231 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000122983519 222194652 /nfs/dbraw/zinc/19/46/52/222194652.db2.gz YKSXARXKUJGAQL-VXGBXAGGSA-N 0 3 339.367 2.054 10 5 EEBEHN COc1cccc(N2CCN(c3ccncc3OC)CC2)c1[N+](=O)[O-] ZINC000360259016 278016487 /nfs/dbraw/zinc/01/64/87/278016487.db2.gz SNBVXZLHXFVAPB-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000293205616 293150704 /nfs/dbraw/zinc/15/07/04/293150704.db2.gz IZOMFLFCLHXLGW-FUHWJXTLSA-N 0 3 349.431 2.289 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCOC1(C)C ZINC000295143386 293626086 /nfs/dbraw/zinc/62/60/86/293626086.db2.gz CLVVEEOHRCNBJZ-HZMBPMFUSA-N 0 3 337.376 2.088 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCC1(C(F)(F)F)CC1 ZINC000563618148 319030780 /nfs/dbraw/zinc/03/07/80/319030780.db2.gz MUSHTZOGXKOQDV-JTQLQIEISA-N 0 3 334.294 2.267 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NC[C@H]1CCCN1CCCO)CCCC2 ZINC000580186491 324011703 /nfs/dbraw/zinc/01/17/03/324011703.db2.gz WOKHHEXSNKGNTB-CQSZACIVSA-N 0 3 334.420 2.127 10 5 EEBEHN CSCCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580315649 324038844 /nfs/dbraw/zinc/03/88/44/324038844.db2.gz GQXOOTSDWNGFMW-UHFFFAOYSA-N 0 3 332.447 2.101 10 5 EEBEHN CN(C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125863176 463586584 /nfs/dbraw/zinc/58/65/84/463586584.db2.gz KSNWHZAWBNVJJP-WCQYABFASA-N 0 3 341.433 2.283 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000590659190 468298430 /nfs/dbraw/zinc/29/84/30/468298430.db2.gz YVIWFSMSTPNJJD-RDJZCZTQSA-N 0 3 348.399 2.268 10 5 EEBEHN Cc1cccnc1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658533 468297192 /nfs/dbraw/zinc/29/71/92/468297192.db2.gz YIYADHSRKRQOIN-UHFFFAOYSA-N 0 3 329.356 2.402 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000137020690 463272574 /nfs/dbraw/zinc/27/25/74/463272574.db2.gz QIJBHLGBRZQLNE-YOEHRIQHSA-N 0 3 342.399 2.457 10 5 EEBEHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097033114 463306359 /nfs/dbraw/zinc/30/63/59/463306359.db2.gz DDGXUNZGYOROSW-NSHDSACASA-N 0 3 329.360 2.027 10 5 EEBEHN CC[C@H](NC(=O)CCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177808131 463796696 /nfs/dbraw/zinc/79/66/96/463796696.db2.gz ZUPHLWKRKQNXIU-KRWDZBQOSA-N 0 3 348.447 2.190 10 5 EEBEHN COC(=O)[C@H](C)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176222347 464724703 /nfs/dbraw/zinc/72/47/03/464724703.db2.gz WBFBMWJLNYQCIK-CQSZACIVSA-N 0 3 346.387 2.103 10 5 EEBEHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000177146390 464943677 /nfs/dbraw/zinc/94/36/77/464943677.db2.gz HYVDMAKQAZQCRZ-MNOVXSKESA-N 0 3 328.372 2.431 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3CCOCC3)C[C@H]2C)n1 ZINC000362685377 465938538 /nfs/dbraw/zinc/93/85/38/465938538.db2.gz RZCLARIVQXYHOZ-CQSZACIVSA-N 0 3 334.420 2.296 10 5 EEBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 ZINC000338478363 466158349 /nfs/dbraw/zinc/15/83/49/466158349.db2.gz WCHUOZJODLFAFW-CZUORRHYSA-N 0 3 338.379 2.391 10 5 EEBEHN Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000594603947 468632529 /nfs/dbraw/zinc/63/25/29/468632529.db2.gz PLHXNEYFFBEWKI-WDEREUQCSA-N 0 3 345.321 2.177 10 5 EEBEHN Cc1ccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)CC2CC2)cn1 ZINC000592145968 468637386 /nfs/dbraw/zinc/63/73/86/468637386.db2.gz HKOBRSPKQYVEFB-UHFFFAOYSA-N 0 3 342.399 2.372 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000601110467 468744263 /nfs/dbraw/zinc/74/42/63/468744263.db2.gz GMKAKKSZQYMHLS-SECBINFHSA-N 0 3 333.314 2.022 10 5 EEBEHN CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598042722 468747486 /nfs/dbraw/zinc/74/74/86/468747486.db2.gz XFXZOLXNYOKUHR-CQSZACIVSA-N 0 3 335.404 2.468 10 5 EEBEHN CCC[C@H](NC[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595080697 468753940 /nfs/dbraw/zinc/75/39/40/468753940.db2.gz YQEOHPLOROYIFP-DLBZAZTESA-N 0 3 338.404 2.194 10 5 EEBEHN CCN1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 ZINC000601173653 468770684 /nfs/dbraw/zinc/77/06/84/468770684.db2.gz GEIACTWYVHTYTJ-SECBINFHSA-N 0 3 335.330 2.268 10 5 EEBEHN CC[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000598535826 468905212 /nfs/dbraw/zinc/90/52/12/468905212.db2.gz IVPRQWWVERIXCA-UONOGXRCSA-N 0 3 334.420 2.386 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000595630919 468930974 /nfs/dbraw/zinc/93/09/74/468930974.db2.gz CXAIGNAIXSDRIO-UHOFOFEASA-N 0 3 338.404 2.259 10 5 EEBEHN CN(CCCN1CCN(C)CC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599043414 469096878 /nfs/dbraw/zinc/09/68/78/469096878.db2.gz LCMXGEODPLRFSK-UHFFFAOYSA-N 0 3 343.431 2.217 10 5 EEBEHN CN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829533 469386187 /nfs/dbraw/zinc/38/61/87/469386187.db2.gz HJWWXGDFUUSFDZ-NSHDSACASA-N 0 3 329.360 2.359 10 5 EEBEHN O=C(CCN1CC(C2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000619706051 469667184 /nfs/dbraw/zinc/66/71/84/469667184.db2.gz UAFUAWRWBMHFPD-UHFFFAOYSA-N 0 3 333.388 2.282 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416368436 528268524 /nfs/dbraw/zinc/26/85/24/528268524.db2.gz HXNNXIGJPKFNMJ-CYBMUJFWSA-N 0 3 343.449 2.220 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177714226 529071581 /nfs/dbraw/zinc/07/15/81/529071581.db2.gz KOYSAFBCYYQKTM-XJKSGUPXSA-N 0 3 334.420 2.338 10 5 EEBEHN C[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000872038191 1198033240 /nfs/dbraw/zinc/03/32/40/1198033240.db2.gz LGMUXOUOUOHPKL-CHWSQXEVSA-N 0 3 325.384 2.353 10 5 EEBEHN COC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000873545429 1198637608 /nfs/dbraw/zinc/63/76/08/1198637608.db2.gz USBWVMIOAXBFMJ-NJBDSQKTSA-N 0 3 339.319 2.274 10 5 EEBEHN CC(COC(=O)COc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813101436 1201097518 /nfs/dbraw/zinc/09/75/18/1201097518.db2.gz AAQAKJIMPNROCF-SSDOTTSWSA-N 0 3 336.113 2.175 10 5 EEBEHN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2 ZINC000813109602 1201121490 /nfs/dbraw/zinc/12/14/90/1201121490.db2.gz MZAHOSYYPZLZMJ-IONNQARKSA-N 0 3 347.293 2.117 10 5 EEBEHN Cc1cc(NC(=O)NC[C@H]2CCN2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000930732587 1206578753 /nfs/dbraw/zinc/57/87/53/1206578753.db2.gz NSGADIHWNNWZDM-OAHLLOKOSA-N 0 3 348.403 2.278 10 5 EEBEHN NC(=O)c1coc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000779068677 1208489538 /nfs/dbraw/zinc/48/95/38/1208489538.db2.gz ASTGGSOLPMCEOY-UHFFFAOYSA-N 0 3 344.371 2.045 10 5 EEBEHN O=[N+]([O-])c1cncc(Cl)c1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001164037517 1321278152 /nfs/dbraw/zinc/27/81/52/1321278152.db2.gz ISFNMZNTLDHLQS-ZDUSSCGKSA-N 0 3 334.763 2.500 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@]2(C)CN3CCC2CC3)c1 ZINC000912377936 788131447 /nfs/dbraw/zinc/13/14/47/788131447.db2.gz HDJQJZWMUPSYOK-GOSISDBHSA-N 0 3 347.415 2.273 10 5 EEBEHN C[C@H]1CCN(CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001136975865 788378605 /nfs/dbraw/zinc/37/86/05/788378605.db2.gz NGCWJWACKFIIFE-LBPRGKRZSA-N 0 3 342.399 2.402 10 5 EEBEHN NC(=O)c1ccc(CNC2(CO)CCCCCCC2)c([N+](=O)[O-])c1 ZINC001460662069 1110320605 /nfs/dbraw/zinc/32/06/05/1110320605.db2.gz SCBDLAIDCOTANN-UHFFFAOYSA-N 0 3 335.404 2.259 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCN2C2CCCCC2)n1 ZINC001461625350 1110346167 /nfs/dbraw/zinc/34/61/67/1110346167.db2.gz BKNAYCMODPXLOP-AWEZNQCLSA-N 0 3 332.404 2.435 10 5 EEBEHN C[C@@](N)(CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440750 214057154 /nfs/dbraw/zinc/05/71/54/214057154.db2.gz WXJLHKDUELNEEU-GFCCVEGCSA-N 0 3 336.175 2.263 10 5 EEBEHN CN1CCO[C@@H](CNCc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000112548364 529784170 /nfs/dbraw/zinc/78/41/70/529784170.db2.gz FHZWLYVKTDMKJE-INIZCTEOSA-N 0 3 338.407 2.366 10 5 EEBEHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451238149 243044566 /nfs/dbraw/zinc/04/45/66/243044566.db2.gz CRUAHGZLYFAULC-HZMBPMFUSA-N 0 3 337.376 2.088 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451590610 243168001 /nfs/dbraw/zinc/16/80/01/243168001.db2.gz ZQVVXWJGSFEHEK-DFBGVHRSSA-N 0 3 349.387 2.243 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)cc2)n1 ZINC000191548901 256006371 /nfs/dbraw/zinc/00/63/71/256006371.db2.gz BJASTXACCQPMCN-UHFFFAOYSA-N 0 3 347.375 2.004 10 5 EEBEHN COc1cc(NC2CCN(CCN(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271108664 256208943 /nfs/dbraw/zinc/20/89/43/256208943.db2.gz SQSTTWDIYXBAGY-UHFFFAOYSA-N 0 3 340.399 2.180 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCNc1ccncc1 ZINC000346708201 161394472 /nfs/dbraw/zinc/39/44/72/161394472.db2.gz UNWNHHJBGVCAFA-UHFFFAOYSA-N 0 3 329.360 2.262 10 5 EEBEHN Cc1cc(N2CCC[C@H](NCc3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277647696 269167198 /nfs/dbraw/zinc/16/71/98/269167198.db2.gz FDEDMWZAEWYIEB-HNNXBMFYSA-N 0 3 329.404 2.395 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280196534 269337688 /nfs/dbraw/zinc/33/76/88/269337688.db2.gz PKISIDXXJXZPQB-JTQLQIEISA-N 0 3 329.759 2.140 10 5 EEBEHN C[C@@H]1COCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277456420 274294445 /nfs/dbraw/zinc/29/44/45/274294445.db2.gz MFJFNBNRNLIADP-SKDRFNHKSA-N 0 3 327.768 2.201 10 5 EEBEHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287945302 275008583 /nfs/dbraw/zinc/00/85/83/275008583.db2.gz RTGHMSHNKFSPBK-OLZOCXBDSA-N 0 3 348.403 2.148 10 5 EEBEHN COc1cc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000564808787 319111905 /nfs/dbraw/zinc/11/19/05/319111905.db2.gz CEGFPNQZEUKMSC-CVEARBPZSA-N 0 3 349.431 2.336 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000326321064 465037682 /nfs/dbraw/zinc/03/76/82/465037682.db2.gz XXOFBZYLFUHYSJ-CQSZACIVSA-N 0 3 333.388 2.446 10 5 EEBEHN C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000066001250 462845788 /nfs/dbraw/zinc/84/57/88/462845788.db2.gz OFWPTWWAIQZYAW-LLVKDONJSA-N 0 3 347.462 2.057 10 5 EEBEHN COc1cc(N2C[C@@H](SC)[C@H](N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000271617094 464343357 /nfs/dbraw/zinc/34/33/57/464343357.db2.gz LDDQLPJUOQZABG-TZMCWYRMSA-N 0 3 329.397 2.224 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC000183223933 464826572 /nfs/dbraw/zinc/82/65/72/464826572.db2.gz SNYSXEUXOLLMDS-SUNKGSAMSA-N 0 3 337.376 2.088 10 5 EEBEHN Cc1cc(C)cc([C@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000183479150 464869545 /nfs/dbraw/zinc/86/95/45/464869545.db2.gz DLOHQXLUIZFUEJ-YJBOKZPZSA-N 0 3 344.415 2.259 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCCN(C)C)CC1 ZINC000351882316 465416069 /nfs/dbraw/zinc/41/60/69/465416069.db2.gz FHNWSUYYOYHNFC-UHFFFAOYSA-N 0 3 335.404 2.086 10 5 EEBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000362406278 465713443 /nfs/dbraw/zinc/71/34/43/465713443.db2.gz AXIGEHUKZAZTMD-GUYCJALGSA-N 0 3 346.431 2.070 10 5 EEBEHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000366119833 467064987 /nfs/dbraw/zinc/06/49/87/467064987.db2.gz PQPVQTFGEXKRBS-ZFWWWQNUSA-N 0 3 340.383 2.383 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)CN1CCCC1 ZINC000452097757 467320519 /nfs/dbraw/zinc/32/05/19/467320519.db2.gz RUBYFPLTIVBPHB-UHFFFAOYSA-N 0 3 334.420 2.306 10 5 EEBEHN CNc1c(C(=O)NC[C@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600470351 468567613 /nfs/dbraw/zinc/56/76/13/468567613.db2.gz NMKPRZCYTSRJNM-CYBMUJFWSA-N 0 3 332.404 2.383 10 5 EEBEHN CC(C)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178271 468647211 /nfs/dbraw/zinc/64/72/11/468647211.db2.gz SBOAMHMHVRPJHV-QGZVFWFLSA-N 0 3 347.415 2.476 10 5 EEBEHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000560181505 468772257 /nfs/dbraw/zinc/77/22/57/468772257.db2.gz BRIKRXSLSKBEOO-CQSZACIVSA-N 0 3 335.404 2.484 10 5 EEBEHN O=[N+]([O-])c1cnn(CCNCc2ccnn2CCc2ccccc2)c1 ZINC000598641812 468941690 /nfs/dbraw/zinc/94/16/90/468941690.db2.gz NWIHADDUTWACGE-UHFFFAOYSA-N 0 3 340.387 2.020 10 5 EEBEHN C[C@H](O)CN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000593468675 468994407 /nfs/dbraw/zinc/99/44/07/468994407.db2.gz DDVVAHOTVPYUBH-STQMWFEESA-N 0 3 330.388 2.034 10 5 EEBEHN CN(C(=O)CN[C@@]1(CO)CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599594471 469303195 /nfs/dbraw/zinc/30/31/95/469303195.db2.gz LOOBJVPYMGCBIN-SFHVURJKSA-N 0 3 349.431 2.479 10 5 EEBEHN O=C(NCCNc1ccncc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735859749 578170526 /nfs/dbraw/zinc/17/05/26/578170526.db2.gz OJYBCSAOCSZCHD-UHFFFAOYSA-N 0 3 335.751 2.299 10 5 EEBEHN CC(C)n1cnc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001481261727 1180501773 /nfs/dbraw/zinc/50/17/73/1180501773.db2.gz LXHRPLZOPCGMTD-UHFFFAOYSA-N 0 3 345.403 2.234 10 5 EEBEHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000810044360 1199219767 /nfs/dbraw/zinc/21/97/67/1199219767.db2.gz VJYPIFKCRWULEZ-UHFFFAOYSA-N 0 3 336.797 2.299 10 5 EEBEHN CC(COC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)[N+](=O)[O-] ZINC000813106888 1201116388 /nfs/dbraw/zinc/11/63/88/1201116388.db2.gz HGCYMLMACYLASG-ZETCQYMHSA-N 0 3 340.229 2.183 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650993 1210380132 /nfs/dbraw/zinc/38/01/32/1210380132.db2.gz QGUTXBRDSVVQQX-GFCCVEGCSA-N 0 3 341.795 2.089 10 5 EEBEHN CCOc1ccc(NC(=O)CN[C@H](C)C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001648391276 1353428549 /nfs/dbraw/zinc/42/85/49/1353428549.db2.gz DMAFQIXZMRKOJT-LLVKDONJSA-N 0 3 339.392 2.335 10 5 EEBEHN Cc1ocnc1C(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001673421311 1355014763 /nfs/dbraw/zinc/01/47/63/1355014763.db2.gz VLSPBWIIAFGHQK-UHFFFAOYSA-N 0 3 346.387 2.485 10 5 EEBEHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC001175212030 798032861 /nfs/dbraw/zinc/03/28/61/798032861.db2.gz ZWSKCIVYQARNCS-LLVKDONJSA-N 0 3 329.360 2.266 10 5 EEBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001473602453 1110577366 /nfs/dbraw/zinc/57/73/66/1110577366.db2.gz RCCQHRXOFJHNCL-GHMZBOCLSA-N 0 3 330.344 2.347 10 5 EEBEHN COc1ccc(NC(=O)CN[C@@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001473866284 1110582990 /nfs/dbraw/zinc/58/29/90/1110582990.db2.gz BGWXDTYZRGZJLC-OAHLLOKOSA-N 0 3 349.387 2.233 10 5 EEBEHN C[C@@]12CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451377316 243095875 /nfs/dbraw/zinc/09/58/75/243095875.db2.gz XCUZAIBJOGWAMS-IQFXKTMKSA-N 0 3 327.384 2.338 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000164085044 533226865 /nfs/dbraw/zinc/22/68/65/533226865.db2.gz ZFFCPKAIDPMIGQ-FZMZJTMJSA-N 0 3 336.392 2.454 10 5 EEBEHN COc1cc(CN2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000352776576 162282606 /nfs/dbraw/zinc/28/26/06/162282606.db2.gz DCMWTMRZDAISLQ-DZGCQCFKSA-N 0 3 325.434 2.081 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC2(CC2)C1 ZINC000360098373 164231422 /nfs/dbraw/zinc/23/14/22/164231422.db2.gz OFDUWBRZXLDNER-UHFFFAOYSA-N 0 3 349.387 2.044 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)CNC3)c1 ZINC000188731690 274032761 /nfs/dbraw/zinc/03/27/61/274032761.db2.gz PQESPYLYAPJZLA-UHFFFAOYSA-N 0 3 327.340 2.137 10 5 EEBEHN CCN1CCN(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291564077 275318008 /nfs/dbraw/zinc/31/80/08/275318008.db2.gz CUKSWFWGTMLZCU-UHFFFAOYSA-N 0 3 329.404 2.192 10 5 EEBEHN C[C@@H]1NC(=O)CC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000392969884 312441249 /nfs/dbraw/zinc/44/12/49/312441249.db2.gz UMBQCCBXJFEILU-GZMMTYOYSA-N 0 3 342.193 2.114 10 5 EEBEHN CNC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421395457 314096436 /nfs/dbraw/zinc/09/64/36/314096436.db2.gz YKZSHBYNVMDUKL-GFCCVEGCSA-N 0 3 329.356 2.423 10 5 EEBEHN CC(C)(C(=O)NCCNc1ccncc1)c1ccc([N+](=O)[O-])cc1F ZINC000358426077 465114918 /nfs/dbraw/zinc/11/49/18/465114918.db2.gz SJNYZUHBWCWCCX-UHFFFAOYSA-N 0 3 346.362 2.057 10 5 EEBEHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113444989 462596006 /nfs/dbraw/zinc/59/60/06/462596006.db2.gz ARBAHKDNGHCMQJ-GXFFZTMASA-N 0 3 348.359 2.120 10 5 EEBEHN C[C@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243897 462690363 /nfs/dbraw/zinc/69/03/63/462690363.db2.gz LWYZWVUXKUTKBI-NSHDSACASA-N 0 3 347.462 2.199 10 5 EEBEHN C[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243897 462690366 /nfs/dbraw/zinc/69/03/66/462690366.db2.gz LWYZWVUXKUTKBI-NSHDSACASA-N 0 3 347.462 2.199 10 5 EEBEHN CCN1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000089977195 462758934 /nfs/dbraw/zinc/75/89/34/462758934.db2.gz CVCZJURSZOSWJR-UHFFFAOYSA-N 0 3 332.404 2.147 10 5 EEBEHN CCN1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000059892028 463646789 /nfs/dbraw/zinc/64/67/89/463646789.db2.gz ZXNRMZITVJVQMU-AWEZNQCLSA-N 0 3 332.404 2.383 10 5 EEBEHN CS(=O)(=O)c1ccc(NCc2ccc3c(c2)CNC3)c([N+](=O)[O-])c1 ZINC000261624997 463805817 /nfs/dbraw/zinc/80/58/17/463805817.db2.gz GPQGEGWQXHGYPB-UHFFFAOYSA-N 0 3 347.396 2.214 10 5 EEBEHN COc1cc(CN[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272242452 464532976 /nfs/dbraw/zinc/53/29/76/464532976.db2.gz AUJDHYBSFDQDMV-VHSXEESVSA-N 0 3 348.346 2.354 10 5 EEBEHN CCOc1cccc(NC2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000184052578 464941512 /nfs/dbraw/zinc/94/15/12/464941512.db2.gz OBJRTYAIUHLQKQ-UHFFFAOYSA-N 0 3 336.436 2.431 10 5 EEBEHN COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000192643381 464966304 /nfs/dbraw/zinc/96/63/04/464966304.db2.gz BGIPBPMAJKRGHJ-YHWZYXNKSA-N 0 3 333.388 2.349 10 5 EEBEHN CN1CC=C(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597102831 468443576 /nfs/dbraw/zinc/44/35/76/468443576.db2.gz YYSDOXZVUFILAA-UHFFFAOYSA-N 0 3 339.783 2.214 10 5 EEBEHN CN(CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCCCC1 ZINC000357174864 465832366 /nfs/dbraw/zinc/83/23/66/465832366.db2.gz QCSFECBCIKMLJP-UHFFFAOYSA-N 0 3 345.403 2.920 10 5 EEBEHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600146010 468474688 /nfs/dbraw/zinc/47/46/88/468474688.db2.gz TYPHNIGHHVGPKE-JTQLQIEISA-N 0 3 348.371 2.392 10 5 EEBEHN CC[C@@H](CO)N1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347351305 466585260 /nfs/dbraw/zinc/58/52/60/466585260.db2.gz DSLYDYBOXCCGOZ-HKBKRHGFSA-N 0 3 333.432 2.387 10 5 EEBEHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000363872637 466642690 /nfs/dbraw/zinc/64/26/90/466642690.db2.gz CJJVEVAQTXCJGE-AWEZNQCLSA-N 0 3 326.356 2.123 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(CF)(CF)C2)cc1 ZINC000595031467 468745826 /nfs/dbraw/zinc/74/58/26/468745826.db2.gz HHRNZYHESJXJPS-UHFFFAOYSA-N 0 3 348.371 2.046 10 5 EEBEHN CN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000592881660 468814402 /nfs/dbraw/zinc/81/44/02/468814402.db2.gz MXOPJRUMSLSLDA-KGLIPLIRSA-N 0 3 329.356 2.263 10 5 EEBEHN CC1(N2CCOCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000599619160 469312273 /nfs/dbraw/zinc/31/22/73/469312273.db2.gz SUVVRJCAQNNWAL-UHFFFAOYSA-N 0 3 325.434 2.343 10 5 EEBEHN O=[N+]([O-])c1ccc2nc(NC[C@H](O)CN3CCCCC3)sc2c1 ZINC000731206696 577086307 /nfs/dbraw/zinc/08/63/07/577086307.db2.gz OLNBSUXVIWEPRB-LBPRGKRZSA-N 0 3 336.417 2.463 10 5 EEBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000732568149 577184716 /nfs/dbraw/zinc/18/47/16/577184716.db2.gz PXYVOWAEBBVRRF-ZDUSSCGKSA-N 0 3 332.404 2.383 10 5 EEBEHN Cc1cc(C)nc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])c(C(C)C)n2)n1 ZINC000813114493 1201124493 /nfs/dbraw/zinc/12/44/93/1201124493.db2.gz CMJCMYHUYYXPHL-LBPRGKRZSA-N 0 3 347.375 2.225 10 5 EEBEHN CC(=O)c1c([N+](=O)[O-])cccc1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000881985402 1201798116 /nfs/dbraw/zinc/79/81/16/1201798116.db2.gz MFHCKYPYEHMACQ-OAHLLOKOSA-N 0 3 346.431 2.014 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H](C)N1 ZINC000856408904 1293516815 /nfs/dbraw/zinc/51/68/15/1293516815.db2.gz XFIBONCOWRVWJP-WDEREUQCSA-N 0 3 338.383 2.012 10 5 EEBEHN CN1CCOC[C@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000862508356 1295863155 /nfs/dbraw/zinc/86/31/55/1295863155.db2.gz ORTQRASROWYNII-LLVKDONJSA-N 0 3 334.203 2.322 10 5 EEBEHN CN(CCCN(C)C(=O)c1csnn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001280836019 1296396915 /nfs/dbraw/zinc/39/69/15/1296396915.db2.gz QUMAQDJNQLLFNT-UHFFFAOYSA-N 0 3 349.416 2.040 10 5 EEBEHN CCN(CCCNC(=O)c1cccnn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316905448 1331971226 /nfs/dbraw/zinc/97/12/26/1331971226.db2.gz UYZVOEBOMZGSNC-UHFFFAOYSA-N 0 3 343.387 2.027 10 5 EEBEHN C/C=C(/C)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001569728231 1342934936 /nfs/dbraw/zinc/93/49/36/1342934936.db2.gz OUMSCYMHMWQYSS-BNNQUZSASA-N 0 3 347.415 2.316 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)nc1-c1ccccc1 ZINC001655894455 1354188893 /nfs/dbraw/zinc/18/88/93/1354188893.db2.gz DIDOCALRLKYWGW-AWEZNQCLSA-N 0 3 340.383 2.224 10 5 EEBEHN C[C@H]1CC[C@](CO)(NCCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001656510950 1354243679 /nfs/dbraw/zinc/24/36/79/1354243679.db2.gz KMIQJHCEZCVRBM-SUMWQHHRSA-N 0 3 330.388 2.166 10 5 EEBEHN CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000906651435 784049984 /nfs/dbraw/zinc/04/99/84/784049984.db2.gz CMIPWBUSQUISFP-LLVKDONJSA-N 0 3 338.795 2.139 10 5 EEBEHN Cc1nocc1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001479792997 1099001648 /nfs/dbraw/zinc/00/16/48/1099001648.db2.gz DALKWWORDCURGN-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN C[C@@H]1CC[C@](CO)(NCCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC001460952870 1110329666 /nfs/dbraw/zinc/32/96/66/1110329666.db2.gz WTYJSUFRVGHBIG-CXAGYDPISA-N 0 3 330.388 2.166 10 5 EEBEHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccccc1 ZINC001539242827 1124050811 /nfs/dbraw/zinc/05/08/11/1124050811.db2.gz ACORQVYHPNAZAE-OAHLLOKOSA-N 0 3 342.399 2.080 10 5 EEBEHN Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246763397 243312172 /nfs/dbraw/zinc/31/21/72/243312172.db2.gz ARBAHKDNGHCMQJ-ZWNOBZJWSA-N 0 3 348.359 2.120 10 5 EEBEHN Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000193489712 160182647 /nfs/dbraw/zinc/18/26/47/160182647.db2.gz AVOAOJMXQUAEEM-HZPDHXFCSA-N 0 3 342.399 2.224 10 5 EEBEHN CCCN(CC)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352559301 162187425 /nfs/dbraw/zinc/18/74/25/162187425.db2.gz HGUUQLFVMVJYLQ-CYBMUJFWSA-N 0 3 343.449 2.135 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272508788 274174267 /nfs/dbraw/zinc/17/42/67/274174267.db2.gz YEUIKZIWQGTCCI-ZDUSSCGKSA-N 0 3 340.811 2.184 10 5 EEBEHN COCCN1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291573956 275318969 /nfs/dbraw/zinc/31/89/69/275318969.db2.gz FEOSWHFIZFGULI-UHFFFAOYSA-N 0 3 330.388 2.302 10 5 EEBEHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000532144730 317845126 /nfs/dbraw/zinc/84/51/26/317845126.db2.gz SKMCRLLKRWIGJN-UHFFFAOYSA-N 0 3 332.360 2.095 10 5 EEBEHN COc1cc(CNCC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000538713857 318043231 /nfs/dbraw/zinc/04/32/31/318043231.db2.gz OGZFSYXSZPEQRC-SECBINFHSA-N 0 3 334.319 2.108 10 5 EEBEHN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000576846826 320209970 /nfs/dbraw/zinc/20/99/70/320209970.db2.gz TUWFHTJKHQYJBK-INIZCTEOSA-N 0 3 344.371 2.031 10 5 EEBEHN CN(C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125863686 463586189 /nfs/dbraw/zinc/58/61/89/463586189.db2.gz KSNWHZAWBNVJJP-DGCLKSJQSA-N 0 3 341.433 2.283 10 5 EEBEHN COc1cc(NC2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000089602850 462697636 /nfs/dbraw/zinc/69/76/36/462697636.db2.gz AJJSZNJOTWNXOM-GFCCVEGCSA-N 0 3 339.367 2.408 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134845165 463086725 /nfs/dbraw/zinc/08/67/25/463086725.db2.gz JTLJSSHZXJVMFI-ZDUSSCGKSA-N 0 3 341.795 2.089 10 5 EEBEHN CN(C)CCN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071903986 463464656 /nfs/dbraw/zinc/46/46/56/463464656.db2.gz LAWNMTRWXMAKBX-UHFFFAOYSA-N 0 3 328.372 2.194 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000171079224 463778638 /nfs/dbraw/zinc/77/86/38/463778638.db2.gz AZSGZIKYLLOBBM-SNVBAGLBSA-N 0 3 344.318 2.364 10 5 EEBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000262254671 463983811 /nfs/dbraw/zinc/98/38/11/463983811.db2.gz QMOHYJOFWOZSDB-DDUZABMNSA-N 0 3 347.415 2.086 10 5 EEBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189197923 464454572 /nfs/dbraw/zinc/45/45/72/464454572.db2.gz NAGNXZQARGDBPV-ZDUSSCGKSA-N 0 3 342.399 2.427 10 5 EEBEHN COc1cc(C(=O)NCCN2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000294335401 464469378 /nfs/dbraw/zinc/46/93/78/464469378.db2.gz FDGYWWDNFCNWEG-NSHDSACASA-N 0 3 339.367 2.347 10 5 EEBEHN COc1cc(CN[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272242449 464533270 /nfs/dbraw/zinc/53/32/70/464533270.db2.gz AUJDHYBSFDQDMV-UWVGGRQHSA-N 0 3 348.346 2.354 10 5 EEBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000190447738 464646704 /nfs/dbraw/zinc/64/67/04/464646704.db2.gz HQILCSCCMVJGNV-OAHLLOKOSA-N 0 3 327.388 2.343 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCCN(CCCO)C2)c1 ZINC000295103283 464706314 /nfs/dbraw/zinc/70/63/14/464706314.db2.gz KRBWTYYYTMJHOY-ZDUSSCGKSA-N 0 3 327.812 2.185 10 5 EEBEHN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000183201217 464820849 /nfs/dbraw/zinc/82/08/49/464820849.db2.gz KKFQBIASMVPOCI-TVQRCGJNSA-N 0 3 327.768 2.344 10 5 EEBEHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCN(C2CC2)C1 ZINC000342921050 465388629 /nfs/dbraw/zinc/38/86/29/465388629.db2.gz MXVXAKOBMRIJKK-GFCCVEGCSA-N 0 3 328.372 2.385 10 5 EEBEHN COc1cc(CN(C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000353330537 465803768 /nfs/dbraw/zinc/80/37/68/465803768.db2.gz QDEWWQBCCUSENK-AWEZNQCLSA-N 0 3 335.404 2.281 10 5 EEBEHN CCN1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301686063 466008585 /nfs/dbraw/zinc/00/85/85/466008585.db2.gz LOCAPYRHRMKLCH-LLVKDONJSA-N 0 3 334.376 2.212 10 5 EEBEHN CCOc1cc(N2CCO[C@@H]3CCN(CC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000338733231 466344428 /nfs/dbraw/zinc/34/44/28/466344428.db2.gz CWWJMGAQJJQTAZ-JKSUJKDBSA-N 0 3 335.404 2.293 10 5 EEBEHN O=[N+]([O-])c1cnc(NC[C@H](O)CN2CCCCC2)c(C(F)(F)F)c1 ZINC000413054033 467162004 /nfs/dbraw/zinc/16/20/04/467162004.db2.gz MFINPNGFVIZJQG-NSHDSACASA-N 0 3 348.325 2.267 10 5 EEBEHN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000450958782 467216214 /nfs/dbraw/zinc/21/62/14/467216214.db2.gz WXWYSHULTVZUQJ-GFCCVEGCSA-N 0 3 336.392 2.004 10 5 EEBEHN COc1cc(CN2CCN(C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488695920 468097359 /nfs/dbraw/zinc/09/73/59/468097359.db2.gz AVPZVTQQWPHODW-AWEZNQCLSA-N 0 3 349.431 2.289 10 5 EEBEHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601125799 468752364 /nfs/dbraw/zinc/75/23/64/468752364.db2.gz JXEOQGHPHZREGA-BDAKNGLRSA-N 0 3 335.330 2.124 10 5 EEBEHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000560181504 468772208 /nfs/dbraw/zinc/77/22/08/468772208.db2.gz BRIKRXSLSKBEOO-AWEZNQCLSA-N 0 3 335.404 2.484 10 5 EEBEHN CCn1c(C)nc([N+](=O)[O-])c1Nc1cnn(C2CCN(C)CC2)c1 ZINC000601224827 468788096 /nfs/dbraw/zinc/78/80/96/468788096.db2.gz BJLKGAGXXVUFMM-UHFFFAOYSA-N 0 3 333.396 2.326 10 5 EEBEHN CC(C)[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1 ZINC000598571180 468918653 /nfs/dbraw/zinc/91/86/53/468918653.db2.gz HMDNNRXKLPVCJA-NSHDSACASA-N 0 3 343.330 2.266 10 5 EEBEHN COc1cc(CN[C@@H](CO)C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595616331 468925421 /nfs/dbraw/zinc/92/54/21/468925421.db2.gz MKZIOBMCYAJTCE-NSHDSACASA-N 0 3 346.330 2.455 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H](CCF)C2)c1 ZINC000595754417 468989890 /nfs/dbraw/zinc/98/98/90/468989890.db2.gz BCYRXULMMBBCQO-UKRRQHHQSA-N 0 3 326.368 2.406 10 5 EEBEHN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCC1 ZINC000598975977 469073714 /nfs/dbraw/zinc/07/37/14/469073714.db2.gz LJZCKYFKMKDMMU-QGZVFWFLSA-N 0 3 346.431 2.453 10 5 EEBEHN CCc1oncc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001268864492 1183773900 /nfs/dbraw/zinc/77/39/00/1183773900.db2.gz HWLGXGJQTXEIAF-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN CCCc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103754 1201097219 /nfs/dbraw/zinc/09/72/19/1201097219.db2.gz SJCCIBCMPBJHHI-TZMCWYRMSA-N 0 3 334.372 2.200 10 5 EEBEHN CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109710 1201122056 /nfs/dbraw/zinc/12/20/56/1201122056.db2.gz OACZVHPFNKKOHP-CZUORRHYSA-N 0 3 348.399 2.194 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C ZINC000928441701 1206384301 /nfs/dbraw/zinc/38/43/01/1206384301.db2.gz TUELDBIFFDYBLX-GZMMTYOYSA-N 0 3 329.303 2.019 10 5 EEBEHN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC001192747680 1282140217 /nfs/dbraw/zinc/14/02/17/1282140217.db2.gz WSKNTHDDFLUJHV-GFCCVEGCSA-N 0 3 328.376 2.365 10 5 EEBEHN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC001192747680 1282140224 /nfs/dbraw/zinc/14/02/24/1282140224.db2.gz WSKNTHDDFLUJHV-GFCCVEGCSA-N 0 3 328.376 2.365 10 5 EEBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000863035549 1296091223 /nfs/dbraw/zinc/09/12/23/1296091223.db2.gz XAXPXUCOUFHEPL-ZDUSSCGKSA-N 0 3 348.359 2.250 10 5 EEBEHN CC(C)=C(C)CC(=O)N[C@H]1C[C@H](CNCc2c([N+](=O)[O-])ncn2C)C1 ZINC001277027464 1300938927 /nfs/dbraw/zinc/93/89/27/1300938927.db2.gz WUUQPZVPTQNFRD-HDJSIYSDSA-N 0 3 349.435 2.059 10 5 EEBEHN Cc1ccnc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)n1 ZINC001322494345 1333271751 /nfs/dbraw/zinc/27/17/51/1333271751.db2.gz VOROJEDPBNOSOX-UHFFFAOYSA-N 0 3 349.416 2.007 10 5 EEBEHN CN1CCN(C(C)(C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC001324327537 1333658970 /nfs/dbraw/zinc/65/89/70/1333658970.db2.gz PCKWNYBPKOYITM-UHFFFAOYSA-N 0 3 343.431 2.003 10 5 EEBEHN Nc1c(C(=O)NCCN2CCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001628986753 1352546663 /nfs/dbraw/zinc/54/66/63/1352546663.db2.gz MZGLZYREVIMWCA-UHFFFAOYSA-N 0 3 328.372 2.156 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1cccnc1 ZINC001673139433 1354118707 /nfs/dbraw/zinc/11/87/07/1354118707.db2.gz SBNQDTWGQVATMS-UHFFFAOYSA-N 0 3 340.383 2.432 10 5 EEBEHN O=[N+]([O-])c1cc(Cl)c(N2CC(N[C@@H]3CCOC3)C2)c(Cl)c1 ZINC001655895042 1354189132 /nfs/dbraw/zinc/18/91/32/1354189132.db2.gz SHBXQMPCAYYYGG-MRVPVSSYSA-N 0 3 332.187 2.469 10 5 EEBEHN O=C(CCN[C@H](CO)c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC001657899368 1354349677 /nfs/dbraw/zinc/34/96/77/1354349677.db2.gz GZJXLCQPRFZRRV-MRXNPFEDSA-N 0 3 347.346 2.386 10 5 EEBEHN COc1ccc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])c(OC)c1 ZINC001660632039 1354505354 /nfs/dbraw/zinc/50/53/54/1354505354.db2.gz SRZGIGQOLBUGMY-LLVKDONJSA-N 0 3 334.376 2.468 10 5 EEBEHN Cc1conc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001670304820 1356315651 /nfs/dbraw/zinc/31/56/51/1356315651.db2.gz OFYLCKXFRSTBAN-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844433987 789120091 /nfs/dbraw/zinc/12/00/91/789120091.db2.gz PGTZHZKYGLZPQF-UKRRQHHQSA-N 0 3 342.342 2.456 10 5 EEBEHN O=C1C[C@H](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1 ZINC000922780720 801867769 /nfs/dbraw/zinc/86/77/69/801867769.db2.gz DQMVXOJMIJWIQH-NSHDSACASA-N 0 3 346.412 2.334 10 5 EEBEHN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793608080 810431206 /nfs/dbraw/zinc/43/12/06/810431206.db2.gz HPBNMLIFDBHCHU-RISCZKNCSA-N 0 3 330.812 2.496 10 5 EEBEHN Cc1ocnc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001569185689 1125152318 /nfs/dbraw/zinc/15/23/18/1125152318.db2.gz FMVGMIKCBZPOAS-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCC[C@@H]2C1 ZINC000178629974 232321122 /nfs/dbraw/zinc/32/11/22/232321122.db2.gz YFBJILHNEXVLDH-IUODEOHRSA-N 0 3 343.387 2.486 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000184219996 235336149 /nfs/dbraw/zinc/33/61/49/235336149.db2.gz IFSSBJRBBGSVSK-UHFFFAOYSA-N 0 3 348.447 2.049 10 5 EEBEHN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268772850 252224160 /nfs/dbraw/zinc/22/41/60/252224160.db2.gz YPGDBBDSHWRZAI-CQSZACIVSA-N 0 3 328.372 2.269 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268161254 256120511 /nfs/dbraw/zinc/12/05/11/256120511.db2.gz YFUYHMKSUYXLCU-LBPRGKRZSA-N 0 3 326.784 2.142 10 5 EEBEHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CN2CCC1CC2 ZINC000344426680 161226616 /nfs/dbraw/zinc/22/66/16/161226616.db2.gz ZLZZSOIXMAKVLO-OAHLLOKOSA-N 0 3 337.807 2.343 10 5 EEBEHN O=[N+]([O-])c1ccc(CCN2CCC(Oc3cnccn3)CC2)cc1 ZINC000369676598 166312008 /nfs/dbraw/zinc/31/20/08/166312008.db2.gz QTUHTGODRNHZKC-UHFFFAOYSA-N 0 3 328.372 2.471 10 5 EEBEHN COC(=O)c1cc(N2CCN(CC(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301670411 294881026 /nfs/dbraw/zinc/88/10/26/294881026.db2.gz FDTOUGWCPLOABO-UHFFFAOYSA-N 0 3 335.404 2.468 10 5 EEBEHN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1OCCN(C)C ZINC000560509633 318798774 /nfs/dbraw/zinc/79/87/74/318798774.db2.gz KWPHOPXWORIUPK-UHFFFAOYSA-N 0 3 344.371 2.491 10 5 EEBEHN COC(=O)c1ccnc(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1[N+](=O)[O-] ZINC000590586417 468278926 /nfs/dbraw/zinc/27/89/26/468278926.db2.gz YPSTZXFEDWEWLK-OLZOCXBDSA-N 0 3 348.403 2.228 10 5 EEBEHN CC[C@@H](C)N1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000590661403 468298282 /nfs/dbraw/zinc/29/82/82/468298282.db2.gz CJIHYKMCNGGAQS-CYBMUJFWSA-N 0 3 335.404 2.298 10 5 EEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000155476848 462897860 /nfs/dbraw/zinc/89/78/60/462897860.db2.gz YUYQNPUSGRABRI-RNCFNFMXSA-N 0 3 327.331 2.332 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1C ZINC000272220847 464524115 /nfs/dbraw/zinc/52/41/15/464524115.db2.gz KNJGYRTWIMKSLS-KOLCDFICSA-N 0 3 349.416 2.154 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630354 464890159 /nfs/dbraw/zinc/89/01/59/464890159.db2.gz AJVJXZFGEGXEOA-AWEZNQCLSA-N 0 3 343.387 2.284 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286538593 464953461 /nfs/dbraw/zinc/95/34/61/464953461.db2.gz VOBGFXLCDYKTRH-OCCSQVGLSA-N 0 3 348.403 2.148 10 5 EEBEHN CCN(CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)C1CC1 ZINC000597095265 468441554 /nfs/dbraw/zinc/44/15/54/468441554.db2.gz PYJLNXHZYOWXQG-UHFFFAOYSA-N 0 3 341.799 2.436 10 5 EEBEHN COc1cc(CNCC[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000349293906 466053989 /nfs/dbraw/zinc/05/39/89/466053989.db2.gz GVHYDUJNWFDSKY-LBPRGKRZSA-N 0 3 338.282 2.015 10 5 EEBEHN C[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000353945967 466272745 /nfs/dbraw/zinc/27/27/45/466272745.db2.gz DARBYWGRNXWQEN-DOMZBBRYSA-N 0 3 341.433 2.060 10 5 EEBEHN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(C2CC2)C1 ZINC000347018722 466326188 /nfs/dbraw/zinc/32/61/88/466326188.db2.gz WMNJPFJDUQHZKI-MRXNPFEDSA-N 0 3 342.399 2.245 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000372860323 466619481 /nfs/dbraw/zinc/61/94/81/466619481.db2.gz UUUWXLWBRATKCK-SWLSCSKDSA-N 0 3 333.388 2.094 10 5 EEBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425544933 467107629 /nfs/dbraw/zinc/10/76/29/467107629.db2.gz JLEYHLMAMQEECY-GFCCVEGCSA-N 0 3 331.376 2.490 10 5 EEBEHN CC(C)c1n[nH]c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433773354 467352018 /nfs/dbraw/zinc/35/20/18/467352018.db2.gz GFCHUFCPOGBITE-TXEJJXNPSA-N 0 3 337.424 2.434 10 5 EEBEHN O=C(CCN1CC[C@H](OC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000549408500 468183285 /nfs/dbraw/zinc/18/32/85/468183285.db2.gz GCMIKASBAGLCTR-LBPRGKRZSA-N 0 3 329.303 2.237 10 5 EEBEHN CN1C[C@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590010376 468204780 /nfs/dbraw/zinc/20/47/80/468204780.db2.gz GNWSGKWRAPZWCH-CZUORRHYSA-N 0 3 328.372 2.386 10 5 EEBEHN CS(=O)(=O)CC1(CCNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594951005 468730516 /nfs/dbraw/zinc/73/05/16/468730516.db2.gz MQBNNWJEZFEPPC-UHFFFAOYSA-N 0 3 330.381 2.038 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260794 468796422 /nfs/dbraw/zinc/79/64/22/468796422.db2.gz KYOUQUJUFCZKKB-VXGBXAGGSA-N 0 3 327.381 2.218 10 5 EEBEHN CC1(C)[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000596065083 469136003 /nfs/dbraw/zinc/13/60/03/469136003.db2.gz DDBUIKLRURLJMN-LBPRGKRZSA-N 0 3 348.371 2.249 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOC3(CNC3)C2)s1 ZINC000596108069 469157721 /nfs/dbraw/zinc/15/77/21/469157721.db2.gz UFZYFBKCNHTRLB-UHFFFAOYSA-N 0 3 345.424 2.498 10 5 EEBEHN CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000596186565 469191961 /nfs/dbraw/zinc/19/19/61/469191961.db2.gz KITHJABDWLVIFY-MRXNPFEDSA-N 0 3 334.420 2.263 10 5 EEBEHN Cc1ccc(NCCCNC(=O)N[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000610105300 469981050 /nfs/dbraw/zinc/98/10/50/469981050.db2.gz QMCWHGYYXYVYLE-CQSZACIVSA-N 0 3 349.435 2.099 10 5 EEBEHN C[C@H](c1ccc(Cl)cc1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721275 534125430 /nfs/dbraw/zinc/12/54/30/534125430.db2.gz BEASUQXTYNHXBQ-ABAIWWIYSA-N 0 3 338.795 2.499 10 5 EEBEHN CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[O-] ZINC001266644436 1177045393 /nfs/dbraw/zinc/04/53/93/1177045393.db2.gz IYTWBUJAPPIBGM-UHFFFAOYSA-N 0 3 329.356 2.162 10 5 EEBEHN Cc1cc(OCC(=O)N2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871156657 1201077111 /nfs/dbraw/zinc/07/71/11/1201077111.db2.gz HTRZGCYFZDEROE-UHFFFAOYSA-N 0 3 335.404 2.225 10 5 EEBEHN CN(CCCN(C)C(=O)c1n[nH]cc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001273559625 1279852366 /nfs/dbraw/zinc/85/23/66/1279852366.db2.gz BHSOJRSAAPSEOX-UHFFFAOYSA-N 0 3 349.366 2.051 10 5 EEBEHN CN(CCCNC(=O)COC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001490183947 1291016195 /nfs/dbraw/zinc/01/61/95/1291016195.db2.gz MTTCEWHCCVXMDT-UHFFFAOYSA-N 0 3 337.420 2.348 10 5 EEBEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000861350703 1295358599 /nfs/dbraw/zinc/35/85/99/1295358599.db2.gz FCTBXGHLDFQFNO-NUTKFTJISA-N 0 3 336.388 2.351 10 5 EEBEHN CN(CCCNC(=O)c1ccncc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC001265819414 1323399710 /nfs/dbraw/zinc/39/97/10/1323399710.db2.gz JBFITERGUWRWPO-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN Cc1nc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)co1 ZINC001265831979 1323410009 /nfs/dbraw/zinc/41/00/09/1323410009.db2.gz ZKWVUUPLTBMVLM-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN CCc1ocnc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317576746 1332305824 /nfs/dbraw/zinc/30/58/24/1332305824.db2.gz FMMQEHIMHPSHTM-UHFFFAOYSA-N 0 3 332.360 2.007 10 5 EEBEHN CCCCC(=O)N1CCC(O)(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001328142370 1334404521 /nfs/dbraw/zinc/40/45/21/1334404521.db2.gz XNIZIKAPJHQTGC-UHFFFAOYSA-N 0 3 349.431 2.228 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445338 759970129 /nfs/dbraw/zinc/97/01/29/759970129.db2.gz MNMIIPUHGZMFTI-AINHQSCGSA-N 0 3 347.415 2.225 10 5 EEBEHN CN(CCCNC(=O)c1ccncc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001479763494 1098926164 /nfs/dbraw/zinc/92/61/64/1098926164.db2.gz MWDTUDBPYHBWNF-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN Cc1cnc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cc1C ZINC001493640079 1108443123 /nfs/dbraw/zinc/44/31/23/1108443123.db2.gz KYJNKJIOPPJSBO-UHFFFAOYSA-N 0 3 342.399 2.468 10 5 EEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000174964387 529406974 /nfs/dbraw/zinc/40/69/74/529406974.db2.gz ZJHLIHASBSSJPQ-ZIAGYGMSSA-N 0 3 333.388 2.302 10 5 EEBEHN CN1CCO[C@H](CNCc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000112548361 529789802 /nfs/dbraw/zinc/78/98/02/529789802.db2.gz FHZWLYVKTDMKJE-MRXNPFEDSA-N 0 3 338.407 2.366 10 5 EEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120593077 142393609 /nfs/dbraw/zinc/39/36/09/142393609.db2.gz VPACEMZGTRRTAI-HNNXBMFYSA-N 0 3 336.436 2.413 10 5 EEBEHN COCCN1CCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342079385 161037544 /nfs/dbraw/zinc/03/75/44/161037544.db2.gz SCAKGTGRIIEFQT-JTQLQIEISA-N 0 3 337.405 2.122 10 5 EEBEHN O=[N+]([O-])c1ccc2nc(NC[C@H](O)CN3CCCCC3)ccc2c1 ZINC000170642756 226674700 /nfs/dbraw/zinc/67/47/00/226674700.db2.gz KKULUCJDWMBIBY-HNNXBMFYSA-N 0 3 330.388 2.402 10 5 EEBEHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000547437949 318288357 /nfs/dbraw/zinc/28/83/57/318288357.db2.gz JOKIGFSVHLGWJT-LRDDRELGSA-N 0 3 328.372 2.411 10 5 EEBEHN CC[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000112080337 463690153 /nfs/dbraw/zinc/69/01/53/463690153.db2.gz NZDUYHFERLKHPI-KGLIPLIRSA-N 0 3 344.415 2.424 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2noc(CN3CCN4CCCC[C@@H]4C3)n2)c1 ZINC000172803221 464146075 /nfs/dbraw/zinc/14/60/75/464146075.db2.gz ZMLYDNXGQRBSLP-OAHLLOKOSA-N 0 3 343.387 2.315 10 5 EEBEHN CCOc1ccc([C@@H](C)N[C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180589886 464343620 /nfs/dbraw/zinc/34/36/20/464343620.db2.gz YWSYZZBFHVZWSQ-YPMHNXCESA-N 0 3 331.376 2.251 10 5 EEBEHN CCNC(=O)C[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000284977441 464414179 /nfs/dbraw/zinc/41/41/79/464414179.db2.gz XWERRNBWBGCBJU-ZBFHGGJFSA-N 0 3 335.404 2.009 10 5 EEBEHN COc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000253354099 464992074 /nfs/dbraw/zinc/99/20/74/464992074.db2.gz ZMHCGXSKEQEUNC-BXUZGUMPSA-N 0 3 335.404 2.370 10 5 EEBEHN C[C@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN1C ZINC000597104164 468444507 /nfs/dbraw/zinc/44/45/07/468444507.db2.gz OPEOSWQUBVFERR-WPRPVWTQSA-N 0 3 341.799 2.435 10 5 EEBEHN C[C@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000362712772 465963173 /nfs/dbraw/zinc/96/31/73/465963173.db2.gz XKDTUGVEJOVJFM-SFHVURJKSA-N 0 3 327.384 2.420 10 5 EEBEHN Cc1cc(CCN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)on1 ZINC000353980229 466298328 /nfs/dbraw/zinc/29/83/28/466298328.db2.gz ALFVBZKSJBPZLJ-NSHDSACASA-N 0 3 332.360 2.441 10 5 EEBEHN C[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)N(C)C ZINC000347213251 466480637 /nfs/dbraw/zinc/48/06/37/466480637.db2.gz JSRLDOFZGJFNPL-MRVPVSSYSA-N 0 3 345.197 2.429 10 5 EEBEHN O=[N+]([O-])c1cnc(NCC2(O)CCN(Cc3ccccc3)CC2)s1 ZINC000397484471 467442092 /nfs/dbraw/zinc/44/20/92/467442092.db2.gz AQBRXGUARBZFBI-UHFFFAOYSA-N 0 3 348.428 2.490 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCCN2CCO)c2ccncc21 ZINC000450616305 467879575 /nfs/dbraw/zinc/87/95/75/467879575.db2.gz PGDDDOHOHYLJIY-ZDUSSCGKSA-N 0 3 330.388 2.402 10 5 EEBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CN)C(F)(F)F ZINC000594451982 468593697 /nfs/dbraw/zinc/59/36/97/468593697.db2.gz VTWMBRIURNNNCT-OIBJUYFYSA-N 0 3 337.323 2.081 10 5 EEBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@](C)(CO)OC ZINC000594510816 468612354 /nfs/dbraw/zinc/61/23/54/468612354.db2.gz LGTZLGOIKMPGGX-SWLSCSKDSA-N 0 3 328.434 2.453 10 5 EEBEHN COCc1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000595066485 468752504 /nfs/dbraw/zinc/75/25/04/468752504.db2.gz HUOBGEPBNOHCGN-JSGCOSHPSA-N 0 3 345.403 2.360 10 5 EEBEHN CCN1C[C@H](C)N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000593021163 468842301 /nfs/dbraw/zinc/84/23/01/468842301.db2.gz SJJFWJIXFXNSIZ-OLZOCXBDSA-N 0 3 335.404 2.296 10 5 EEBEHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCN1C1CC1 ZINC000571847499 468846699 /nfs/dbraw/zinc/84/66/99/468846699.db2.gz CHLQCXWACDBXFC-QGZVFWFLSA-N 0 3 342.399 2.362 10 5 EEBEHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595635377 468932877 /nfs/dbraw/zinc/93/28/77/468932877.db2.gz ULZCYESIFWZRRQ-DFBGVHRSSA-N 0 3 326.368 2.390 10 5 EEBEHN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000599183774 469153483 /nfs/dbraw/zinc/15/34/83/469153483.db2.gz UNIKNQRCGMOIPO-UHFFFAOYSA-N 0 3 334.420 2.379 10 5 EEBEHN CC1(N2CCOCC2)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000599620380 469311851 /nfs/dbraw/zinc/31/18/51/469311851.db2.gz ZVQOOCPTBBVKMD-UHFFFAOYSA-N 0 3 349.431 2.160 10 5 EEBEHN Nc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000612398677 469455311 /nfs/dbraw/zinc/45/53/11/469455311.db2.gz PVOFSNQSSDUQSD-OAHLLOKOSA-N 0 3 342.399 2.356 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000619255417 469560215 /nfs/dbraw/zinc/56/02/15/469560215.db2.gz XYEBUPIGOKVTKB-SFHVURJKSA-N 0 3 349.431 2.049 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000174533465 529065908 /nfs/dbraw/zinc/06/59/08/529065908.db2.gz UAYFRDPUKBCUNY-SNVBAGLBSA-N 0 3 327.331 2.429 10 5 EEBEHN CN(C)C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000052554424 682075856 /nfs/dbraw/zinc/07/58/56/682075856.db2.gz VCNGSXHJSPVJDU-HNNXBMFYSA-N 0 3 328.372 2.210 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000897825869 691793763 /nfs/dbraw/zinc/79/37/63/691793763.db2.gz QLXNTWYTPWHWKE-IUODEOHRSA-N 0 3 340.383 2.106 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccc[nH]1 ZINC001267365904 1178854288 /nfs/dbraw/zinc/85/42/88/1178854288.db2.gz PZVQQKUTVCLTPG-RMKNXTFCSA-N 0 3 328.372 2.184 10 5 EEBEHN C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000872038192 1198033894 /nfs/dbraw/zinc/03/38/94/1198033894.db2.gz LGMUXOUOUOHPKL-OLZOCXBDSA-N 0 3 325.384 2.353 10 5 EEBEHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1COCCN1C ZINC000872090167 1198044884 /nfs/dbraw/zinc/04/48/84/1198044884.db2.gz MYFLAOKSUBVWON-DGCLKSJQSA-N 0 3 325.434 2.298 10 5 EEBEHN CC(C)[C@](C)(CO)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810075310 1199240144 /nfs/dbraw/zinc/24/01/44/1199240144.db2.gz JYCWQLITXFYHMS-AWEZNQCLSA-N 0 3 329.784 2.183 10 5 EEBEHN CCOc1ccc(-c2noc(CCC(=O)OCC(C)[N+](=O)[O-])n2)cc1 ZINC000813110177 1201123715 /nfs/dbraw/zinc/12/37/15/1201123715.db2.gz UJIAXOBLRKEGCU-LLVKDONJSA-N 0 3 349.343 2.276 10 5 EEBEHN O=C(N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C12CCN(CC1)C2 ZINC000900838577 1234889601 /nfs/dbraw/zinc/88/96/01/1234889601.db2.gz PFRTXQQIMFJEOJ-AWEZNQCLSA-N 0 3 333.413 2.265 10 5 EEBEHN CN(CCCN(C)C(=O)C1=CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001273502407 1278595874 /nfs/dbraw/zinc/59/58/74/1278595874.db2.gz UAXILOYTTYVFAC-UHFFFAOYSA-N 0 3 347.415 2.222 10 5 EEBEHN CCc1nc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001264978470 1322828718 /nfs/dbraw/zinc/82/87/18/1322828718.db2.gz IUPOSQDSWKQXSA-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN O=C(/C=C/c1ccc[nH]1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001317074525 1332070184 /nfs/dbraw/zinc/07/01/84/1332070184.db2.gz FBIVCQJRPDUSPF-WGDNIXBHSA-N 0 3 340.383 2.373 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(F)c1 ZINC001320713113 1332939272 /nfs/dbraw/zinc/93/92/72/1332939272.db2.gz RNWGDBFEYGRXHE-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1=COCCC1 ZINC001326797289 1334160909 /nfs/dbraw/zinc/16/09/09/1334160909.db2.gz BKCSHCHSHWUCKD-UHFFFAOYSA-N 0 3 345.399 2.418 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001352562404 1337981445 /nfs/dbraw/zinc/98/14/45/1337981445.db2.gz BVQBHEUREPCOKH-SJORKVTESA-N 0 3 347.415 2.011 10 5 EEBEHN CC1CCN(CCNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001595825989 1349896471 /nfs/dbraw/zinc/89/64/71/1349896471.db2.gz DLBGCNXKGASWQQ-UHFFFAOYSA-N 0 3 340.811 2.292 10 5 EEBEHN Cc1c(NC(=O)CCN[C@@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC001655381866 1354172345 /nfs/dbraw/zinc/17/23/45/1354172345.db2.gz ZJNRINLYOUEKFB-LBPRGKRZSA-N 0 3 331.376 2.316 10 5 EEBEHN CCN(CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000786933501 806955520 /nfs/dbraw/zinc/95/55/20/806955520.db2.gz IMVZPQBARZAQLI-UHFFFAOYSA-N 0 3 336.797 2.299 10 5 EEBEHN O=C(NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cn[nH]c1 ZINC001566581207 1125765319 /nfs/dbraw/zinc/76/53/19/1125765319.db2.gz ICFWNUGUXFOSBQ-UHFFFAOYSA-N 0 3 343.387 2.102 10 5 EEBEHN Cc1nc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])co1 ZINC001498536899 1107687442 /nfs/dbraw/zinc/68/74/42/1107687442.db2.gz PIXRNWZLEDBEIA-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CC(C)C)C2CCN(C)CC2)n1 ZINC001460664240 1110320301 /nfs/dbraw/zinc/32/03/01/1110320301.db2.gz IRIQEAWXGRXGQO-UHFFFAOYSA-N 0 3 334.420 2.491 10 5 EEBEHN C[C@@H](C(=O)OC[C@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001526620136 1120554925 /nfs/dbraw/zinc/55/49/25/1120554925.db2.gz GWJSTCGVKYVLMS-CXAGYDPISA-N 0 3 348.399 2.495 10 5 EEBEHN COc1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000191791727 533528441 /nfs/dbraw/zinc/52/84/41/533528441.db2.gz HMPWVHBBZQLXDV-SMDDNHRTSA-N 0 3 333.388 2.221 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000110083740 159356614 /nfs/dbraw/zinc/35/66/14/159356614.db2.gz LNGMENGSZJEEQM-AWEZNQCLSA-N 0 3 336.392 2.136 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189843783 160150636 /nfs/dbraw/zinc/15/06/36/160150636.db2.gz YKMGTJKFEWGBQZ-CYBMUJFWSA-N 0 3 343.449 2.220 10 5 EEBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NCc1ccco1 ZINC000344862587 161251925 /nfs/dbraw/zinc/25/19/25/161251925.db2.gz LFNAONMJYVYYMC-JYRVWZFOSA-N 0 3 329.356 2.497 10 5 EEBEHN COc1cnccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355649600 163258718 /nfs/dbraw/zinc/25/87/18/163258718.db2.gz LKMYVQHFZHAYDW-UHFFFAOYSA-N 0 3 328.372 2.321 10 5 EEBEHN CCN(CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000358990747 164031299 /nfs/dbraw/zinc/03/12/99/164031299.db2.gz UBUILDUMYXLMGT-UHFFFAOYSA-N 0 3 343.330 2.410 10 5 EEBEHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)CN1CCO ZINC000419010699 274364340 /nfs/dbraw/zinc/36/43/40/274364340.db2.gz YNAGIRDHYJKEMR-OLZOCXBDSA-N 0 3 330.388 2.034 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286538588 274882016 /nfs/dbraw/zinc/88/20/16/274882016.db2.gz VOBGFXLCDYKTRH-JSGCOSHPSA-N 0 3 348.403 2.148 10 5 EEBEHN O=C1CCc2cc([N+](=O)[O-])c(N3CCCN(C4CC4)CC3)cc2N1 ZINC000170640071 275018538 /nfs/dbraw/zinc/01/85/38/275018538.db2.gz AUIRJJVYDZCSRG-UHFFFAOYSA-N 0 3 330.388 2.154 10 5 EEBEHN CNC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421390519 314095582 /nfs/dbraw/zinc/09/55/82/314095582.db2.gz SMZNGVZKMKORFN-ZDUSSCGKSA-N 0 3 329.356 2.423 10 5 EEBEHN C[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000507235115 316375685 /nfs/dbraw/zinc/37/56/85/316375685.db2.gz ZDTYVDOIBDGTPW-IUODEOHRSA-N 0 3 341.433 2.060 10 5 EEBEHN Cc1[nH]c2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1C ZINC000580642387 324102697 /nfs/dbraw/zinc/10/26/97/324102697.db2.gz VINLCJCMBBNION-OAHLLOKOSA-N 0 3 343.387 2.040 10 5 EEBEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000113267972 462583686 /nfs/dbraw/zinc/58/36/86/462583686.db2.gz WVZMDKRMINSVQK-SWLSCSKDSA-N 0 3 343.387 2.313 10 5 EEBEHN CCCS(=O)(=O)C(C)C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071903351 463465045 /nfs/dbraw/zinc/46/50/45/463465045.db2.gz UJEIJPSQPAVHRD-NWDGAFQWSA-N 0 3 342.417 2.328 10 5 EEBEHN O=[N+]([O-])c1ccc(CCN2CCCN(c3cccnn3)CC2)cc1 ZINC000105799915 463467001 /nfs/dbraw/zinc/46/70/01/463467001.db2.gz MPWLGNRXIJWIGN-UHFFFAOYSA-N 0 3 327.388 2.140 10 5 EEBEHN CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1CCOC ZINC000106113842 463506428 /nfs/dbraw/zinc/50/64/28/463506428.db2.gz WNZLKVLSYWTJIG-OAHLLOKOSA-N 0 3 337.420 2.146 10 5 EEBEHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000108300957 463594331 /nfs/dbraw/zinc/59/43/31/463594331.db2.gz GGHQMRMSQNOSPO-GFCCVEGCSA-N 0 3 328.372 2.290 10 5 EEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193827339 463745119 /nfs/dbraw/zinc/74/51/19/463745119.db2.gz ZYCSYFRIYMPTHX-HNNXBMFYSA-N 0 3 336.436 2.413 10 5 EEBEHN COc1ccc(OCCN2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000173653839 464302164 /nfs/dbraw/zinc/30/21/64/464302164.db2.gz WDBBMTWLTNVDTI-CYBMUJFWSA-N 0 3 346.387 2.205 10 5 EEBEHN CCOc1cc(N2CCN(C[C@@H](C)O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000174914589 464468363 /nfs/dbraw/zinc/46/83/63/464468363.db2.gz RZBPXULRLNVHJA-KGLIPLIRSA-N 0 3 337.420 2.275 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@H]2CN(C)C)c1 ZINC000281510293 464484352 /nfs/dbraw/zinc/48/43/52/464484352.db2.gz INDMCEMDYSAXPI-CQSZACIVSA-N 0 3 335.404 2.225 10 5 EEBEHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183160557 464812216 /nfs/dbraw/zinc/81/22/16/464812216.db2.gz TVQMMDIKEDLWDD-ZETOZRRWSA-N 0 3 337.376 2.088 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177011598 464907683 /nfs/dbraw/zinc/90/76/83/464907683.db2.gz LQZKIYOBDUTALN-CQSZACIVSA-N 0 3 334.420 2.340 10 5 EEBEHN NC(=O)c1ccc(CN2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000295830555 464978794 /nfs/dbraw/zinc/97/87/94/464978794.db2.gz YSIFCGJNICCQAO-UHFFFAOYSA-N 0 3 347.415 2.211 10 5 EEBEHN CCCN1CCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348202089 465487205 /nfs/dbraw/zinc/48/72/05/465487205.db2.gz VACZZVRMYHHKSX-INIZCTEOSA-N 0 3 333.388 2.059 10 5 EEBEHN CCN1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095461 468441881 /nfs/dbraw/zinc/44/18/81/468441881.db2.gz VTLSVOVIIVRWFD-UHFFFAOYSA-N 0 3 341.799 2.390 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299225280 465653918 /nfs/dbraw/zinc/65/39/18/465653918.db2.gz ABCUTTGYUXFSNL-JTQLQIEISA-N 0 3 344.318 2.412 10 5 EEBEHN COc1ccc(OCCN2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362449172 465748413 /nfs/dbraw/zinc/74/84/13/465748413.db2.gz HDZPLZDMBAGZDZ-DZGCQCFKSA-N 0 3 336.388 2.483 10 5 EEBEHN CCOC(=O)c1cccc(CNCCc2cccc([N+](=O)[O-])c2)n1 ZINC000600142806 468474199 /nfs/dbraw/zinc/47/41/99/468474199.db2.gz PVDWKTDWZJGBEH-UHFFFAOYSA-N 0 3 329.356 2.499 10 5 EEBEHN CCCCN1CCCC[C@H]1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427472447 467159750 /nfs/dbraw/zinc/15/97/50/467159750.db2.gz QMMFDDCRHHUVDQ-ZDUSSCGKSA-N 0 3 337.424 2.196 10 5 EEBEHN CC[C@@H]1C[C@@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453578022 467498598 /nfs/dbraw/zinc/49/85/98/467498598.db2.gz OUEYXJCIWRLCAC-LSDHHAIUSA-N 0 3 334.420 2.317 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@H]2CCCCN2CCO)cc1OC(F)F ZINC000450620124 467880616 /nfs/dbraw/zinc/88/06/16/467880616.db2.gz VEMUXYNIZNEZNN-GFCCVEGCSA-N 0 3 345.346 2.455 10 5 EEBEHN CCN1CCN([C@@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487928408 468060430 /nfs/dbraw/zinc/06/04/30/468060430.db2.gz IPQCJUFLRDRNRG-AWEZNQCLSA-N 0 3 343.431 2.003 10 5 EEBEHN CCO[C@@H]1C[C@@H](NCCOc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592169404 468645595 /nfs/dbraw/zinc/64/55/95/468645595.db2.gz UPJWVQHBGRXQLJ-KFWWJZLASA-N 0 3 326.418 2.472 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](CO)c1cccnc1 ZINC000595046822 468749164 /nfs/dbraw/zinc/74/91/64/468749164.db2.gz BIKDSGJSLNNOAI-TZMCWYRMSA-N 0 3 331.372 2.425 10 5 EEBEHN O=C1N(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000595105166 468759978 /nfs/dbraw/zinc/75/99/78/468759978.db2.gz QRJYJAPGHRDLSQ-CZUORRHYSA-N 0 3 344.415 2.462 10 5 EEBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC1CN(c2ccncn2)C1 ZINC000601158219 468764282 /nfs/dbraw/zinc/76/42/82/468764282.db2.gz PEFXADUYXTVDQX-NTUHNPAUSA-N 0 3 325.372 2.267 10 5 EEBEHN CCc1nn(C)c(Nc2cnn(C3CCN(C)CC3)c2)c1[N+](=O)[O-] ZINC000601226706 468788335 /nfs/dbraw/zinc/78/83/35/468788335.db2.gz PXKVJWXDVQVHIZ-UHFFFAOYSA-N 0 3 333.396 2.098 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C2(O)CC2)CC1 ZINC000593049837 468851631 /nfs/dbraw/zinc/85/16/31/468851631.db2.gz MEWLQQWQFNUCER-UHFFFAOYSA-N 0 3 347.415 2.469 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N[C@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595781116 469006170 /nfs/dbraw/zinc/00/61/70/469006170.db2.gz KHEPOYNERRSZAF-CQDKDKBSSA-N 0 3 333.388 2.123 10 5 EEBEHN CC(C)NC(=O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595851157 469043193 /nfs/dbraw/zinc/04/31/93/469043193.db2.gz OSOAKOMUJKWOAB-CQSZACIVSA-N 0 3 335.404 2.210 10 5 EEBEHN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCC1 ZINC000598962606 469068315 /nfs/dbraw/zinc/06/83/15/469068315.db2.gz ZAKKKIXFNXEPDV-OAHLLOKOSA-N 0 3 332.404 2.411 10 5 EEBEHN COC(=O)c1ccnc(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599163566 469143196 /nfs/dbraw/zinc/14/31/96/469143196.db2.gz DOUXBPZUZCMHHU-GFCCVEGCSA-N 0 3 334.376 2.205 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451588861 536464807 /nfs/dbraw/zinc/46/48/07/536464807.db2.gz SBOGZTFXTGESAE-HIFRSBDPSA-N 0 3 349.387 2.163 10 5 EEBEHN C[C@@H](N[C@H]1CCN(CC(C)(C)O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872092313 1198044393 /nfs/dbraw/zinc/04/43/93/1198044393.db2.gz OCUWHHDEVCZSAQ-NEPJUHHUSA-N 0 3 325.384 2.230 10 5 EEBEHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC(F)F ZINC000813108453 1201120098 /nfs/dbraw/zinc/12/00/98/1201120098.db2.gz YOKPTZAUJVLXBV-SSDOTTSWSA-N 0 3 335.259 2.127 10 5 EEBEHN Cc1ocnc1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001280468992 1324239932 /nfs/dbraw/zinc/23/99/32/1324239932.db2.gz LNQGGZPYVCMHOA-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN CC(C)n1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001317637869 1332341442 /nfs/dbraw/zinc/34/14/42/1332341442.db2.gz VYHRQDAOEQEAIQ-UHFFFAOYSA-N 0 3 345.403 2.234 10 5 EEBEHN CN(C)CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001628112260 1352521390 /nfs/dbraw/zinc/52/13/90/1352521390.db2.gz IJPUKDQAVVCNGR-UHFFFAOYSA-N 0 3 343.815 2.308 10 5 EEBEHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001651332522 1354048956 /nfs/dbraw/zinc/04/89/56/1354048956.db2.gz ZQCKAAMCPILMNY-TZMCWYRMSA-N 0 3 342.403 2.290 10 5 EEBEHN CCN(CCCNC(=O)c1ncccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566570095 1125747403 /nfs/dbraw/zinc/74/74/03/1125747403.db2.gz VAKXYCPRWSXSKF-UHFFFAOYSA-N 0 3 343.387 2.027 10 5 EEBEHN C/C=C(/C)C(=O)N1CCC(CCNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001495406250 1101125999 /nfs/dbraw/zinc/12/59/99/1101125999.db2.gz LYGPJTBZWZABEZ-PQMHYQBVSA-N 0 3 349.435 2.013 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1cccn1C ZINC001498512969 1107658096 /nfs/dbraw/zinc/65/80/96/1107658096.db2.gz INZMUHXDQPPHHS-UHFFFAOYSA-N 0 3 336.417 2.247 10 5 EEBEHN CN(C)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001538902870 1124038710 /nfs/dbraw/zinc/03/87/10/1124038710.db2.gz JFQJYJPYWAYYJD-JTQLQIEISA-N 0 3 337.767 2.004 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1n[nH]c(C)c1C ZINC001568732040 1124746506 /nfs/dbraw/zinc/74/65/06/1124746506.db2.gz GFPLJTLVNOUZGJ-UHFFFAOYSA-N 0 3 345.403 2.187 10 5 EEBEHN CC[C@H](N[C@H](C)C(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537155 529663810 /nfs/dbraw/zinc/66/38/10/529663810.db2.gz HPADXRZUOHXETO-PBHICJAKSA-N 0 3 348.447 2.188 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187307263 236174147 /nfs/dbraw/zinc/17/41/47/236174147.db2.gz CNAXHHJDXYVAKO-CQSZACIVSA-N 0 3 342.399 2.080 10 5 EEBEHN CN1CCC(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000037247956 213135920 /nfs/dbraw/zinc/13/59/20/213135920.db2.gz GYRVHHUIQQEFIM-UHFFFAOYSA-N 0 3 342.193 2.181 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647080 292140666 /nfs/dbraw/zinc/14/06/66/292140666.db2.gz QOYSQAYIDXMZON-CQSZACIVSA-N 0 3 334.420 2.311 10 5 EEBEHN O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000109821338 159353447 /nfs/dbraw/zinc/35/34/47/159353447.db2.gz AAYXRGPAMBGXPG-KRWDZBQOSA-N 0 3 349.431 2.160 10 5 EEBEHN O=C(NCc1ccc2c(c1)CNC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000188691130 160127254 /nfs/dbraw/zinc/12/72/54/160127254.db2.gz YFFVWKWXUXHNGG-UHFFFAOYSA-N 0 3 342.311 2.036 10 5 EEBEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000246245820 160269910 /nfs/dbraw/zinc/26/99/10/160269910.db2.gz JJTXGZNCAIYPSP-HZMBPMFUSA-N 0 3 339.342 2.429 10 5 EEBEHN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccncc3)CC2)cn1 ZINC000344441093 161227823 /nfs/dbraw/zinc/22/78/23/161227823.db2.gz VGOITWGYPJDJFU-UHFFFAOYSA-N 0 3 342.403 2.009 10 5 EEBEHN COc1cc(C[NH2+]CC[C@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000344814431 161248018 /nfs/dbraw/zinc/24/80/18/161248018.db2.gz PFFFVBFMUKPAEK-LBPRGKRZSA-N 0 3 338.282 2.366 10 5 EEBEHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1[O-] ZINC000355282024 163132056 /nfs/dbraw/zinc/13/20/56/163132056.db2.gz PMSSKYMJANFTPL-NSHDSACASA-N 0 3 330.344 2.202 10 5 EEBEHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1-n1cccn1 ZINC000090538375 289962168 /nfs/dbraw/zinc/96/21/68/289962168.db2.gz ZPAVOYFUZJODGK-ZDUSSCGKSA-N 0 3 326.360 2.328 10 5 EEBEHN NC[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000566259202 319265799 /nfs/dbraw/zinc/26/57/99/319265799.db2.gz QLHOJJJWWCCDPP-QGZVFWFLSA-N 0 3 325.368 2.222 10 5 EEBEHN C[C@@](CO)(NCCOc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000347721585 465188613 /nfs/dbraw/zinc/18/86/13/465188613.db2.gz OZUICHDUKNVSJG-KRWDZBQOSA-N 0 3 332.356 2.177 10 5 EEBEHN COCCN(C)C(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000070037949 463370768 /nfs/dbraw/zinc/37/07/68/463370768.db2.gz QSHIWRXKHNRZRM-MRXNPFEDSA-N 0 3 349.431 2.220 10 5 EEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000161180018 463407801 /nfs/dbraw/zinc/40/78/01/463407801.db2.gz PINKPOIWHNVALC-DOMZBBRYSA-N 0 3 334.420 2.119 10 5 EEBEHN CC[C@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1CCOC ZINC000106113845 463505846 /nfs/dbraw/zinc/50/58/46/463505846.db2.gz WNZLKVLSYWTJIG-HNNXBMFYSA-N 0 3 337.420 2.146 10 5 EEBEHN Cc1ccc([C@@H](C)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000164899818 463636517 /nfs/dbraw/zinc/63/65/17/463636517.db2.gz ZJGGUFKXEHBPHG-RHSMWYFYSA-N 0 3 349.431 2.437 10 5 EEBEHN COCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000171124127 463791986 /nfs/dbraw/zinc/79/19/86/463791986.db2.gz NPCKRXBOLDWMBO-UHFFFAOYSA-N 0 3 341.433 2.195 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2CCCC[C@@H]2C1 ZINC000172803042 464145848 /nfs/dbraw/zinc/14/58/48/464145848.db2.gz VNFISRBSCRGTGC-MRXNPFEDSA-N 0 3 346.431 2.402 10 5 EEBEHN Cc1cc(N2CC[C@H]3OCCN(C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000284853337 464366187 /nfs/dbraw/zinc/36/61/87/464366187.db2.gz DVDDRMJHGRGNFX-ZWKOTPCHSA-N 0 3 342.399 2.361 10 5 EEBEHN CC1(C)OCC[C@@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295237708 464756174 /nfs/dbraw/zinc/75/61/74/464756174.db2.gz OZMNQBVELPERLO-LBPRGKRZSA-N 0 3 327.768 2.344 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000298982172 465555487 /nfs/dbraw/zinc/55/54/87/465555487.db2.gz NSXKKLBDBCZWSV-KRWDZBQOSA-N 0 3 341.411 2.426 10 5 EEBEHN C[C@@H](NCCc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000337780140 465576153 /nfs/dbraw/zinc/57/61/53/465576153.db2.gz AOSYTAGFLKIVEG-CYBMUJFWSA-N 0 3 338.371 2.464 10 5 EEBEHN CCN1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362399406 465707272 /nfs/dbraw/zinc/70/72/72/465707272.db2.gz CZRJGGOPSQRZJO-JTQLQIEISA-N 0 3 327.331 2.016 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000371634380 465911558 /nfs/dbraw/zinc/91/15/58/465911558.db2.gz JQTRYZWQFPQULC-QGZVFWFLSA-N 0 3 349.431 2.160 10 5 EEBEHN CC1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3C(N)=O)CC2)CC1 ZINC000301244320 465927323 /nfs/dbraw/zinc/92/73/23/465927323.db2.gz ABFNFJLNLLIKFT-UHFFFAOYSA-N 0 3 346.431 2.394 10 5 EEBEHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](N2CCCC2)C1 ZINC000555504513 468479156 /nfs/dbraw/zinc/47/91/56/468479156.db2.gz GPNIYKODOUORRG-NSHDSACASA-N 0 3 339.342 2.112 10 5 EEBEHN Cn1cc(CN2C[C@@H]3COC[C@]3(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597210980 468480801 /nfs/dbraw/zinc/48/08/01/468480801.db2.gz JJDPVKIHHNAHQF-QAPCUYQASA-N 0 3 342.399 2.464 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000341055018 466545590 /nfs/dbraw/zinc/54/55/90/466545590.db2.gz HKEJSFRMVADNDI-QWRGUYRKSA-N 0 3 338.383 2.309 10 5 EEBEHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCN1C1CCCCC1 ZINC000600230085 468502600 /nfs/dbraw/zinc/50/26/00/468502600.db2.gz ZCLSUUIVPSSMOL-MRXNPFEDSA-N 0 3 347.415 2.497 10 5 EEBEHN Cc1cc(N2C[C@H](C)N(CCO)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000419011142 467161282 /nfs/dbraw/zinc/16/12/82/467161282.db2.gz ZFIAETWBBGRIDF-UONOGXRCSA-N 0 3 344.415 2.343 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000590447243 468259467 /nfs/dbraw/zinc/25/94/67/468259467.db2.gz WOMMPLDOXWBMBF-NOZJJQNGSA-N 0 3 343.305 2.390 10 5 EEBEHN C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000597695096 468640878 /nfs/dbraw/zinc/64/08/78/468640878.db2.gz QALCMRACVWHJEB-RRQGHBQHSA-N 0 3 347.415 2.020 10 5 EEBEHN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cn2)CCN(Cc2ccccc2)C1 ZINC000583385105 468690129 /nfs/dbraw/zinc/69/01/29/468690129.db2.gz SOPBZBDTIRPTJL-GOSISDBHSA-N 0 3 340.383 2.384 10 5 EEBEHN CN1CCN(CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1(C)C ZINC000583561394 468716667 /nfs/dbraw/zinc/71/66/67/468716667.db2.gz ZDUNQHAMBXDOME-UHFFFAOYSA-N 0 3 347.463 2.307 10 5 EEBEHN CC(C)N1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601172652 468770103 /nfs/dbraw/zinc/77/01/03/468770103.db2.gz DWTJYKSTGQZJBV-SECBINFHSA-N 0 3 335.330 2.266 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000593030102 468846026 /nfs/dbraw/zinc/84/60/26/468846026.db2.gz KIXNVJCUVGGKJX-FVQBIDKESA-N 0 3 346.383 2.429 10 5 EEBEHN COc1cc(CN[C@H](CO)[C@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595630751 468930987 /nfs/dbraw/zinc/93/09/87/468930987.db2.gz BXDBPDZMYFXIKR-RRFJBIMHSA-N 0 3 338.404 2.259 10 5 EEBEHN O=C(C[C@@H]1NCc2ccccc21)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595917101 469083098 /nfs/dbraw/zinc/08/30/98/469083098.db2.gz XIYFRLFECFPPTL-KRWDZBQOSA-N 0 3 340.383 2.358 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCN1C1CCCC1)OCCO2 ZINC000598999131 469083172 /nfs/dbraw/zinc/08/31/72/469083172.db2.gz JVCLGEUGVHVDQJ-OAHLLOKOSA-N 0 3 347.415 2.473 10 5 EEBEHN O=c1[nH]c(NC[C@@H]2CCN2C2CCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000599164074 469143713 /nfs/dbraw/zinc/14/37/13/469143713.db2.gz JCMGLTQVEGVJKW-ZDUSSCGKSA-N 0 3 343.387 2.672 10 5 EEBEHN CN1CCC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000588887049 469175039 /nfs/dbraw/zinc/17/50/39/469175039.db2.gz LCKQRXMYSPDFRD-ZDUSSCGKSA-N 0 3 345.403 2.012 10 5 EEBEHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000573635980 469175988 /nfs/dbraw/zinc/17/59/88/469175988.db2.gz BIIYVBWKHPXHHI-FZMZJTMJSA-N 0 3 332.360 2.442 10 5 EEBEHN Cc1nc(CC(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)cs1 ZINC001267464985 1179069909 /nfs/dbraw/zinc/06/99/09/1179069909.db2.gz BCSANWCCNRWOBR-UHFFFAOYSA-N 0 3 348.428 2.150 10 5 EEBEHN CCc1ocnc1C(=O)N(CC)CCNCc1cccc([N+](=O)[O-])c1 ZINC001273305181 1198006231 /nfs/dbraw/zinc/00/62/31/1198006231.db2.gz DSFHDIUZGRFRIG-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN O=[N+]([O-])c1cccc(OCCN[C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000934217519 1207925043 /nfs/dbraw/zinc/92/50/43/1207925043.db2.gz GFMNDDXODRCINR-FZKQIMNGSA-N 0 3 344.367 2.305 10 5 EEBEHN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC(N[C@@H]2CCOC2)C1 ZINC001187740042 1279635143 /nfs/dbraw/zinc/63/51/43/1279635143.db2.gz VPGCEPNDYWUJQN-LLVKDONJSA-N 0 3 348.790 2.364 10 5 EEBEHN CC[C@@H](NC[C@@H](O)CN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001192813896 1282184165 /nfs/dbraw/zinc/18/41/65/1282184165.db2.gz CICWSKMAOIHYOW-ZIAGYGMSSA-N 0 3 349.353 2.491 10 5 EEBEHN CC[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000856408386 1293516306 /nfs/dbraw/zinc/51/63/06/1293516306.db2.gz LSYWVIMHOLHEKL-CMPLNLGQSA-N 0 3 327.331 2.286 10 5 EEBEHN CN(C)CCN(CC1CCCCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001142307193 1315555937 /nfs/dbraw/zinc/55/59/37/1315555937.db2.gz SNLNJFYJARGPIM-UHFFFAOYSA-N 0 3 349.435 2.156 10 5 EEBEHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(=O)[nH]1 ZINC001473825525 1339114656 /nfs/dbraw/zinc/11/46/56/1339114656.db2.gz WBYGWRUKGBNFNU-UHFFFAOYSA-N 0 3 330.344 2.156 10 5 EEBEHN C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](C)CCO1 ZINC001648641819 1353436626 /nfs/dbraw/zinc/43/66/26/1353436626.db2.gz NMPGYIIWMUXNTG-CHWSQXEVSA-N 0 3 349.387 2.392 10 5 EEBEHN CCN(CC)CCS(=O)(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810080536 798131436 /nfs/dbraw/zinc/13/14/36/798131436.db2.gz ZVWJDYWABFHQSR-UHFFFAOYSA-N 0 3 336.797 2.299 10 5 EEBEHN C[C@H](C(=O)OC[C@@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001526620138 1120554972 /nfs/dbraw/zinc/55/49/72/1120554972.db2.gz GWJSTCGVKYVLMS-GUYCJALGSA-N 0 3 348.399 2.495 10 5 EEBEHN Cc1[n-]nc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447724895 242308314 /nfs/dbraw/zinc/30/83/14/242308314.db2.gz ZBRZRVFBYQXJGP-LBPRGKRZSA-N 0 3 345.359 2.264 10 5 EEBEHN COc1ccc(OCCN2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451902465 243303006 /nfs/dbraw/zinc/30/30/06/243303006.db2.gz OMFAWXWECXVFMT-QGZVFWFLSA-N 0 3 336.388 2.485 10 5 EEBEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195450775 160212882 /nfs/dbraw/zinc/21/28/82/160212882.db2.gz SIXPAIYJOMMFDG-GFCCVEGCSA-N 0 3 348.359 2.040 10 5 EEBEHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](c2ccco2)C1 ZINC000247211443 160315019 /nfs/dbraw/zinc/31/50/19/160315019.db2.gz CLHFKYMKPZMCOC-BPLDGKMQSA-N 0 3 334.376 2.218 10 5 EEBEHN CN(C)C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000487392493 273790906 /nfs/dbraw/zinc/79/09/06/273790906.db2.gz MFYSGRYVVOLXQI-UHFFFAOYSA-N 0 3 327.331 2.016 10 5 EEBEHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629135 317809387 /nfs/dbraw/zinc/80/93/87/317809387.db2.gz HJAQYNCFEAVQJF-UHFFFAOYSA-N 0 3 346.362 2.333 10 5 EEBEHN CCN1CC[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000097162590 463339512 /nfs/dbraw/zinc/33/95/12/463339512.db2.gz MCKKHZISIGPUOQ-ZYHUDNBSSA-N 0 3 347.462 2.007 10 5 EEBEHN CCN1CCC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000112075927 463690175 /nfs/dbraw/zinc/69/01/75/463690175.db2.gz CQBXVXPREOQLJM-AWEZNQCLSA-N 0 3 332.404 2.383 10 5 EEBEHN CCNC(=O)C[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000284913214 464389322 /nfs/dbraw/zinc/38/93/22/464389322.db2.gz VLHYMZIEYYSCFZ-HNNXBMFYSA-N 0 3 335.404 2.354 10 5 EEBEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000190446334 464647404 /nfs/dbraw/zinc/64/74/04/464647404.db2.gz MQUBHUOELPRFRP-HNNXBMFYSA-N 0 3 327.388 2.343 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295067321 464694146 /nfs/dbraw/zinc/69/41/46/464694146.db2.gz ZQAORQRUTNMDOV-NSHDSACASA-N 0 3 348.403 2.005 10 5 EEBEHN CC1(C)OCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295247806 464760600 /nfs/dbraw/zinc/76/06/00/464760600.db2.gz QBBBXTFFJFWPOB-LBPRGKRZSA-N 0 3 327.768 2.344 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000192853589 465009661 /nfs/dbraw/zinc/00/96/61/465009661.db2.gz UVLYDOODFCNCTB-INIZCTEOSA-N 0 3 328.372 2.331 10 5 EEBEHN CC[C@H](C)N[C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccco1 ZINC000359541437 465443051 /nfs/dbraw/zinc/44/30/51/465443051.db2.gz DMEQZQYVAWKNQJ-RYUDHWBXSA-N 0 3 349.391 2.263 10 5 EEBEHN C[C@@]1(c2ccccc2)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000362712770 465962451 /nfs/dbraw/zinc/96/24/51/465962451.db2.gz XKDTUGVEJOVJFM-GOSISDBHSA-N 0 3 327.384 2.420 10 5 EEBEHN CC(C)[C@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353670626 466053509 /nfs/dbraw/zinc/05/35/09/466053509.db2.gz MKHLYTTUJJRAPU-CABCVRRESA-N 0 3 326.418 2.393 10 5 EEBEHN CC(C)[C@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353670630 466053894 /nfs/dbraw/zinc/05/38/94/466053894.db2.gz MKHLYTTUJJRAPU-HUUCEWRRSA-N 0 3 326.418 2.393 10 5 EEBEHN CN(C)C[C@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807191 466470275 /nfs/dbraw/zinc/47/02/75/466470275.db2.gz GRMRPQKKUXAFQC-MSOLQXFVSA-N 0 3 329.400 2.196 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000341063213 466553241 /nfs/dbraw/zinc/55/32/41/466553241.db2.gz DVYTVPHPWXPLEU-KBPBESRZSA-N 0 3 335.404 2.353 10 5 EEBEHN CCCc1n[nH]c(C(=O)NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600470125 468567860 /nfs/dbraw/zinc/56/78/60/468567860.db2.gz GBXCORCXEOTUBS-GFCCVEGCSA-N 0 3 335.408 2.017 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CNCC(O)(C1CC1)C1CC1)OCCO2 ZINC000594984349 468738259 /nfs/dbraw/zinc/73/82/59/468738259.db2.gz SUYGGXCLOUXFBS-UHFFFAOYSA-N 0 3 334.372 2.007 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1 ZINC000601115329 468746840 /nfs/dbraw/zinc/74/68/40/468746840.db2.gz FZUDPIOFLQNZNI-JTQLQIEISA-N 0 3 347.341 2.412 10 5 EEBEHN CCN1CC[C@H]2CC[C@@H](C1)N2c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601125532 468751904 /nfs/dbraw/zinc/75/19/04/468751904.db2.gz HZNIFEOUDNQXOY-ZJUUUORDSA-N 0 3 347.341 2.410 10 5 EEBEHN COCCN1CCN(CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101273 468871738 /nfs/dbraw/zinc/87/17/38/468871738.db2.gz PICCLQAQCQDTPC-UHFFFAOYSA-N 0 3 337.420 2.016 10 5 EEBEHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595635379 468932696 /nfs/dbraw/zinc/93/26/96/468932696.db2.gz ULZCYESIFWZRRQ-GLQYFDAESA-N 0 3 326.368 2.390 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCCC2)n1 ZINC000599164737 469145333 /nfs/dbraw/zinc/14/53/33/469145333.db2.gz LGQXNKDEVJNAIL-GFCCVEGCSA-N 0 3 334.376 2.205 10 5 EEBEHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000611525035 469272244 /nfs/dbraw/zinc/27/22/44/469272244.db2.gz FFBZMIOTLSFKIZ-MRXNPFEDSA-N 0 3 330.388 2.384 10 5 EEBEHN CN(c1ccccc1)c1ccc(CNC[C@@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464358 469615589 /nfs/dbraw/zinc/61/55/89/469615589.db2.gz ZKQKKFDAMZGFPQ-GOSISDBHSA-N 0 3 345.399 2.196 10 5 EEBEHN C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000418990517 533985117 /nfs/dbraw/zinc/98/51/17/533985117.db2.gz CUKMQNJYVPNKEU-STQMWFEESA-N 0 3 330.388 2.034 10 5 EEBEHN CC[C@@H](NC[C@@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181533451 529174246 /nfs/dbraw/zinc/17/42/46/529174246.db2.gz UYQQKGHZJBXUMZ-NVXWUHKLSA-N 0 3 338.404 2.192 10 5 EEBEHN CN(C)CCn1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 ZINC000726944133 576354983 /nfs/dbraw/zinc/35/49/83/576354983.db2.gz WARYJPIOWYTNJJ-VMPITWQZSA-N 0 3 329.360 2.005 10 5 EEBEHN C[C@H]1COCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763901684 577727724 /nfs/dbraw/zinc/72/77/24/577727724.db2.gz MJGFQXMRXXNMFS-GXSJLCMTSA-N 0 3 327.768 2.201 10 5 EEBEHN Cc1nscc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001266680108 1177181639 /nfs/dbraw/zinc/18/16/39/1177181639.db2.gz CQUNSKSFHMBGAQ-UHFFFAOYSA-N 0 3 334.401 2.222 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C(F)(F)F)CC1 ZINC001266843510 1177531754 /nfs/dbraw/zinc/53/17/54/1177531754.db2.gz UDQXHSBHPSXVDG-UHFFFAOYSA-N 0 3 345.321 2.485 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001268504410 1183079535 /nfs/dbraw/zinc/07/95/35/1183079535.db2.gz CADHPSZIGHSTEP-OWOJBTEDSA-N 0 3 326.356 2.066 10 5 EEBEHN CN(CC(C)(C)CNCc1csc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001485243052 1191707046 /nfs/dbraw/zinc/70/70/46/1191707046.db2.gz DJJVFIFMCUYXIF-UHFFFAOYSA-N 0 3 335.376 2.496 10 5 EEBEHN CC(COC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)[N+](=O)[O-] ZINC000813102267 1201097823 /nfs/dbraw/zinc/09/78/23/1201097823.db2.gz CYRRSOZFYQTHKA-NSHDSACASA-N 0 3 344.323 2.400 10 5 EEBEHN CC[C@@H](NC(=O)c1ccnn1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000900967538 1235058717 /nfs/dbraw/zinc/05/87/17/1235058717.db2.gz LNHCMUAIGWAYDL-OAHLLOKOSA-N 0 3 345.403 2.234 10 5 EEBEHN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C1CCCC1 ZINC001123944494 1310769170 /nfs/dbraw/zinc/76/91/70/1310769170.db2.gz YJBFIXHLUOGZAP-GFCCVEGCSA-N 0 3 332.404 2.266 10 5 EEBEHN C[C@@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000912382168 788134463 /nfs/dbraw/zinc/13/44/63/788134463.db2.gz IYZXVOOEHRPFGI-GOSISDBHSA-N 0 3 346.431 2.387 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844433984 789119863 /nfs/dbraw/zinc/11/98/63/789119863.db2.gz PGTZHZKYGLZPQF-HIFRSBDPSA-N 0 3 342.342 2.456 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cc(C)on1 ZINC001497362835 1102385164 /nfs/dbraw/zinc/38/51/64/1102385164.db2.gz WIYMHFWZTAECPE-UHFFFAOYSA-N 0 3 346.387 2.072 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccsc1 ZINC001493467126 1108199105 /nfs/dbraw/zinc/19/91/05/1108199105.db2.gz KGQXUWMNORXHRD-UHFFFAOYSA-N 0 3 333.413 2.447 10 5 EEBEHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)N(C)Cc1ccccc1 ZINC001465155908 1110411995 /nfs/dbraw/zinc/41/19/95/1110411995.db2.gz CLOMDAQBMAUDGW-ZDUSSCGKSA-N 0 3 342.399 2.427 10 5 EEBEHN CC[C@H](NC[C@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181533260 529619096 /nfs/dbraw/zinc/61/90/96/529619096.db2.gz UYQQKGHZJBXUMZ-RDJZCZTQSA-N 0 3 338.404 2.192 10 5 EEBEHN C[C@H]1CC[C@@](CO)(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187909824 236336245 /nfs/dbraw/zinc/33/62/45/236336245.db2.gz QOFGSXMMVXXDEG-YVEFUNNKSA-N 0 3 336.388 2.444 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000091983468 218098066 /nfs/dbraw/zinc/09/80/66/218098066.db2.gz NIDPFCSSFCSQJX-WCQYABFASA-N 0 3 334.376 2.304 10 5 EEBEHN O=[N+]([O-])c1cc(CN2CCCN(C3CC3)CC2)c2c(c1)COCO2 ZINC000061041092 285086779 /nfs/dbraw/zinc/08/67/79/285086779.db2.gz QTZUCCWRSNNSEC-UHFFFAOYSA-N 0 3 333.388 2.131 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC000191713778 152269643 /nfs/dbraw/zinc/26/96/43/152269643.db2.gz JLZBDZIKWLZSBT-BLLLJJGKSA-N 0 3 345.403 2.232 10 5 EEBEHN O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000109821335 159354032 /nfs/dbraw/zinc/35/40/32/159354032.db2.gz AAYXRGPAMBGXPG-QGZVFWFLSA-N 0 3 349.431 2.160 10 5 EEBEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245468327 160237874 /nfs/dbraw/zinc/23/78/74/160237874.db2.gz KOYSAFBCYYQKTM-CJNGLKHVSA-N 0 3 334.420 2.338 10 5 EEBEHN C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000358969498 164026120 /nfs/dbraw/zinc/02/61/20/164026120.db2.gz CRGBMRDMIBTFFI-VIFPVBQESA-N 0 3 343.330 2.409 10 5 EEBEHN COC(=O)c1cc(C)nc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000286198857 274847292 /nfs/dbraw/zinc/84/72/92/274847292.db2.gz RHQLDDQALXYSKQ-UHFFFAOYSA-N 0 3 334.376 2.124 10 5 EEBEHN CC(=O)c1cc(NC2CCN(CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000286278567 274855685 /nfs/dbraw/zinc/85/56/85/274855685.db2.gz WWAGQYUZJOSWRE-UHFFFAOYSA-N 0 3 334.420 2.235 10 5 EEBEHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1-n1cccn1 ZINC000183134639 279473319 /nfs/dbraw/zinc/47/33/19/279473319.db2.gz BDSIMOVBAYKFHD-ZDUSSCGKSA-N 0 3 326.360 2.328 10 5 EEBEHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-])N(C)C ZINC000357850565 281389254 /nfs/dbraw/zinc/38/92/54/281389254.db2.gz AKWAXQYHZDPSHY-LRDDRELGSA-N 0 3 345.403 2.058 10 5 EEBEHN CC[C@H](O)CN1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000301980978 294917121 /nfs/dbraw/zinc/91/71/21/294917121.db2.gz AVKNGIVFGBNQAV-AWEZNQCLSA-N 0 3 344.415 2.344 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(NCC(=O)NCCN2CCCCCC2)n1 ZINC000431478163 314635597 /nfs/dbraw/zinc/63/55/97/314635597.db2.gz QCODEKLCFDCTSG-UHFFFAOYSA-N 0 3 349.435 2.011 10 5 EEBEHN C[C@H]1CCN(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542892936 318146790 /nfs/dbraw/zinc/14/67/90/318146790.db2.gz GOAVAPVPBGIJGJ-JTQLQIEISA-N 0 3 343.330 2.268 10 5 EEBEHN CC(C)OC[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000579583355 323886049 /nfs/dbraw/zinc/88/60/49/323886049.db2.gz PLQYGCTZPDLDJP-CYBMUJFWSA-N 0 3 336.310 2.489 10 5 EEBEHN CC(C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCN(C)CC1 ZINC000327113813 465047977 /nfs/dbraw/zinc/04/79/77/465047977.db2.gz GFRCAOXDTZGGRH-MRXNPFEDSA-N 0 3 346.435 2.155 10 5 EEBEHN O=[N+]([O-])c1ccc2nc(NC[C@@H](O)CN3CCCCC3)ccc2c1 ZINC000170642758 463687550 /nfs/dbraw/zinc/68/75/50/463687550.db2.gz KKULUCJDWMBIBY-OAHLLOKOSA-N 0 3 330.388 2.402 10 5 EEBEHN COCCCN(C)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000276648945 465015132 /nfs/dbraw/zinc/01/51/32/465015132.db2.gz WJAKNQFPGCLVQP-UHFFFAOYSA-N 0 3 343.811 2.255 10 5 EEBEHN CCCN1CC[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091295 468439711 /nfs/dbraw/zinc/43/97/11/468439711.db2.gz CXRWQGAEDUSGFG-JTQLQIEISA-N 0 3 341.799 2.436 10 5 EEBEHN CN(CCN1CCCC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094369 468441443 /nfs/dbraw/zinc/44/14/43/468441443.db2.gz GAKIQSOQDJPJDH-UHFFFAOYSA-N 0 3 341.799 2.390 10 5 EEBEHN NC(=O)C1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000340463482 466108386 /nfs/dbraw/zinc/10/83/86/466108386.db2.gz QRCNSFNJOZXTTM-UHFFFAOYSA-N 0 3 343.330 2.330 10 5 EEBEHN CN1CC[C@@](O)(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253539 466574268 /nfs/dbraw/zinc/57/42/68/466574268.db2.gz OBAHSKOWLGKFGA-RTBURBONSA-N 0 3 341.411 2.340 10 5 EEBEHN O=[N+]([O-])c1cccnc1NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000397709019 467443278 /nfs/dbraw/zinc/44/32/78/467443278.db2.gz YHXHAUCKIBLGEX-UHFFFAOYSA-N 0 3 342.399 2.429 10 5 EEBEHN C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1=CCN(C)CC1 ZINC000487031760 468018926 /nfs/dbraw/zinc/01/89/26/468018926.db2.gz ADOLQWYVDWDHRT-JTQLQIEISA-N 0 3 339.342 2.182 10 5 EEBEHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570276763 468615977 /nfs/dbraw/zinc/61/59/77/468615977.db2.gz QWAKFUPAOGCSGY-OLZOCXBDSA-N 0 3 338.408 2.091 10 5 EEBEHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592522702 468719590 /nfs/dbraw/zinc/71/95/90/468719590.db2.gz FIFANBAWNCHENX-YVGNARHYSA-N 0 3 346.431 2.050 10 5 EEBEHN CCN1CCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536985 468892564 /nfs/dbraw/zinc/89/25/64/468892564.db2.gz ZKWDXTZGXJUZTD-CYBMUJFWSA-N 0 3 335.404 2.298 10 5 EEBEHN CC1(C)CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCN1CCO ZINC000593477080 468996746 /nfs/dbraw/zinc/99/67/46/468996746.db2.gz TZVMDYRHYIYVBP-UHFFFAOYSA-N 0 3 330.388 2.036 10 5 EEBEHN COCCN1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599025783 469093460 /nfs/dbraw/zinc/09/34/60/469093460.db2.gz QNQAQKPQWSSIIR-UHFFFAOYSA-N 0 3 330.388 2.302 10 5 EEBEHN CC1(C)CCC[C@](CO)(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599596306 469303954 /nfs/dbraw/zinc/30/39/54/469303954.db2.gz RFWWULWWMWEJCC-KRWDZBQOSA-N 0 3 335.404 2.115 10 5 EEBEHN COc1ccc(NC(=O)CCN2CCS[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000171694145 534066873 /nfs/dbraw/zinc/06/68/73/534066873.db2.gz YPMNRERZZNMHMX-NSHDSACASA-N 0 3 339.417 2.369 10 5 EEBEHN Cc1cccc(C2(O)CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000747963329 577953042 /nfs/dbraw/zinc/95/30/42/577953042.db2.gz VNFCTGJMOILZLO-UHFFFAOYSA-N 0 3 344.415 2.392 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000928433658 683113448 /nfs/dbraw/zinc/11/34/48/683113448.db2.gz AWPYVXULJNUTBD-WCBMZHEXSA-N 0 3 329.303 2.019 10 5 EEBEHN CCCc1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001267412019 1178974495 /nfs/dbraw/zinc/97/44/95/1178974495.db2.gz QIDYLLDYFXCOTE-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN O=C(NCC1(NCc2ccccc2[N+](=O)[O-])CCCC1)c1ncc[nH]1 ZINC001482219125 1184273892 /nfs/dbraw/zinc/27/38/92/1184273892.db2.gz ZNBKWKORHLZZGZ-UHFFFAOYSA-N 0 3 343.387 2.150 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OC)o1 ZINC001482958009 1187885913 /nfs/dbraw/zinc/88/59/13/1187885913.db2.gz JVYJVRRRVTYWGI-UHFFFAOYSA-N 0 3 347.371 2.448 10 5 EEBEHN C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000872038194 1198033523 /nfs/dbraw/zinc/03/35/23/1198033523.db2.gz LGMUXOUOUOHPKL-STQMWFEESA-N 0 3 325.384 2.353 10 5 EEBEHN COC(=O)[C@@H]1CC[C@@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000873545428 1198637533 /nfs/dbraw/zinc/63/75/33/1198637533.db2.gz USBWVMIOAXBFMJ-MIJXAVMKSA-N 0 3 339.319 2.274 10 5 EEBEHN CN(C(=O)CN[C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000880509293 1201507424 /nfs/dbraw/zinc/50/74/24/1201507424.db2.gz ZGNULIDLMRLQLK-WBVHZDCISA-N 0 3 333.388 2.249 10 5 EEBEHN COCCN1[C@H](C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000826632991 1204607994 /nfs/dbraw/zinc/60/79/94/1204607994.db2.gz MZWSYWTVABBCII-TXEJJXNPSA-N 0 3 333.392 2.017 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1cncc(F)c1 ZINC001275948113 1205599812 /nfs/dbraw/zinc/59/98/12/1205599812.db2.gz VZSZWUGGBLTBTO-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN CC([C@H](OC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1F)[N+](=O)[O-] ZINC001344013394 1337361502 /nfs/dbraw/zinc/36/15/02/1337361502.db2.gz RNPXYRAVEQRDRH-CHJHEBGFSA-N 0 3 335.331 2.499 10 5 EEBEHN Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594215503 1349874944 /nfs/dbraw/zinc/87/49/44/1349874944.db2.gz WNGOYYOFYKXYTE-KBPBESRZSA-N 0 3 348.359 2.120 10 5 EEBEHN O=[N+]([O-])c1cc(Cl)cnc1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001655814947 1354185609 /nfs/dbraw/zinc/18/56/09/1354185609.db2.gz NFWXBINGGUTPNF-ZDUSSCGKSA-N 0 3 334.763 2.500 10 5 EEBEHN CN(CCCNC(=O)c1ccsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479778389 1098962409 /nfs/dbraw/zinc/96/24/09/1098962409.db2.gz AWJLMIRBIMFWCH-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc2cnccc2o1 ZINC001473743518 1110579390 /nfs/dbraw/zinc/57/93/90/1110579390.db2.gz GUYGVCWRRLNZME-NSHDSACASA-N 0 3 328.328 2.249 10 5 EEBEHN Cc1nc(N(C)C2CCN(CCn3cccn3)CC2)ccc1[N+](=O)[O-] ZINC000150772974 201389978 /nfs/dbraw/zinc/38/99/78/201389978.db2.gz KGAKDWVWRFQKCV-UHFFFAOYSA-N 0 3 344.419 2.096 10 5 EEBEHN CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000105837208 204170081 /nfs/dbraw/zinc/17/00/81/204170081.db2.gz IVLNGJRZIXXZDL-HNNXBMFYSA-N 0 3 337.420 2.016 10 5 EEBEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177714285 207381263 /nfs/dbraw/zinc/38/12/63/207381263.db2.gz FZOCDFCGBBRDTF-KBPBESRZSA-N 0 3 334.420 2.338 10 5 EEBEHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559619 159197955 /nfs/dbraw/zinc/19/79/55/159197955.db2.gz SUSDKPUWSFWSHI-CXAGYDPISA-N 0 3 343.383 2.081 10 5 EEBEHN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000195311863 160210152 /nfs/dbraw/zinc/21/01/52/160210152.db2.gz QPFZZYDZJCNQLQ-AWEZNQCLSA-N 0 3 330.388 2.089 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2[C@H](C)CCC[C@@H]2C)n1 ZINC000342222504 161048878 /nfs/dbraw/zinc/04/88/78/161048878.db2.gz MIQTVMKAKKCTQL-TXEJJXNPSA-N 0 3 336.392 2.451 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000590654456 468296977 /nfs/dbraw/zinc/29/69/77/468296977.db2.gz BXYJKLHPMLDVDR-CYBMUJFWSA-N 0 3 347.415 2.298 10 5 EEBEHN C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000128514754 462646639 /nfs/dbraw/zinc/64/66/39/462646639.db2.gz ACOOJRPLAODONQ-JTQLQIEISA-N 0 3 327.381 2.500 10 5 EEBEHN COc1nccc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000579554244 468373124 /nfs/dbraw/zinc/37/31/24/468373124.db2.gz TXQYBMLZDFOKTD-UHFFFAOYSA-N 0 3 327.344 2.207 10 5 EEBEHN C[C@H](NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262119607 463952186 /nfs/dbraw/zinc/95/21/86/463952186.db2.gz BTFILWGKWXXMJP-WMNQNFFBSA-N 0 3 347.415 2.305 10 5 EEBEHN C[C@H]1C[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000172765474 464141092 /nfs/dbraw/zinc/14/10/92/464141092.db2.gz XGMPXDNSKCKGKI-AAEUAGOBSA-N 0 3 332.404 2.398 10 5 EEBEHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN2CCC[C@H]2C1 ZINC000181618128 464514929 /nfs/dbraw/zinc/51/49/29/464514929.db2.gz VKCBGUJTCZLDAZ-NSHDSACASA-N 0 3 341.314 2.116 10 5 EEBEHN CCCN1CCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348202091 465487517 /nfs/dbraw/zinc/48/75/17/465487517.db2.gz VACZZVRMYHHKSX-MRXNPFEDSA-N 0 3 333.388 2.059 10 5 EEBEHN CCN1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@H]1C ZINC000349589632 466154662 /nfs/dbraw/zinc/15/46/62/466154662.db2.gz ZFLKDOMPADJMDC-OLZOCXBDSA-N 0 3 344.419 2.309 10 5 EEBEHN CCc1n[nH]c(C(=O)NC[C@H]2CCN2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227382 468501318 /nfs/dbraw/zinc/50/13/18/468501318.db2.gz AZIDDQCUAYSXQQ-GFCCVEGCSA-N 0 3 335.408 2.017 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424041782 466961680 /nfs/dbraw/zinc/96/16/80/466961680.db2.gz UTRHVDVCPLWWBN-GOEBONIOSA-N 0 3 344.346 2.004 10 5 EEBEHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420385713 467389673 /nfs/dbraw/zinc/38/96/73/467389673.db2.gz UELCJNBUSMVVOR-WBMJQRKESA-N 0 3 330.392 2.043 10 5 EEBEHN C[C@@H](Cc1ccoc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449239053 467625447 /nfs/dbraw/zinc/62/54/47/467625447.db2.gz ULZFLHCVBCWNCH-LBPRGKRZSA-N 0 3 338.385 2.182 10 5 EEBEHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CCN(CC2CC2)C1 ZINC000589837585 468187325 /nfs/dbraw/zinc/18/73/25/468187325.db2.gz HGVSTSKJAZZNOF-NSHDSACASA-N 0 3 339.342 2.016 10 5 EEBEHN COC(=O)COc1ccc(CNC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594978178 468737043 /nfs/dbraw/zinc/73/70/43/468737043.db2.gz QPTJITYPXBDIMN-AWEZNQCLSA-N 0 3 344.314 2.282 10 5 EEBEHN C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN(C2CC2)C1 ZINC000601170644 468768730 /nfs/dbraw/zinc/76/87/30/468768730.db2.gz SJDHRMYNYAMPPJ-SECBINFHSA-N 0 3 347.341 2.268 10 5 EEBEHN O=C(C[C@@H]1NCc2ccccc21)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595254535 468794421 /nfs/dbraw/zinc/79/44/21/468794421.db2.gz ZBVYNISXONSHBI-KRWDZBQOSA-N 0 3 341.367 2.324 10 5 EEBEHN Cc1ccnc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596422178 485612981 /nfs/dbraw/zinc/61/29/81/485612981.db2.gz CEUFEUVMEXDIAR-INIZCTEOSA-N 0 3 342.399 2.477 10 5 EEBEHN CCN1CCN(c2ccc(Nc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000727430848 576426808 /nfs/dbraw/zinc/42/68/08/576426808.db2.gz FNNNQFRIMSECEH-UHFFFAOYSA-N 0 3 327.388 2.297 10 5 EEBEHN COCCN1CCCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751503028 577754450 /nfs/dbraw/zinc/75/44/50/577754450.db2.gz WKOPZKABZRUNDI-PFONDFGASA-N 0 3 347.415 2.179 10 5 EEBEHN CCOCC(=O)NCCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001482036091 1183192298 /nfs/dbraw/zinc/19/22/98/1183192298.db2.gz CKBNOWMYQNFWLW-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN Cc1ccc(CN(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)c(C)n1 ZINC001486368331 1193868426 /nfs/dbraw/zinc/86/84/26/1193868426.db2.gz OFGRMMKFUHRWMS-IAGOWNOFSA-N 0 3 348.447 2.032 10 5 EEBEHN C[C@@H](NC[C@@H]1CCCN1CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076082 1198040602 /nfs/dbraw/zinc/04/06/02/1198040602.db2.gz XCSCLGHTPPNETH-OLZOCXBDSA-N 0 3 325.384 2.231 10 5 EEBEHN CC(C)(O)CN1CC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000865996170 1198448445 /nfs/dbraw/zinc/44/84/45/1198448445.db2.gz BZMCQQTVDZMBRO-ZDUSSCGKSA-N 0 3 334.420 2.126 10 5 EEBEHN CC(COC(=O)Cc1c(F)ccc(Br)c1F)[N+](=O)[O-] ZINC000813102088 1201095548 /nfs/dbraw/zinc/09/55/48/1201095548.db2.gz ASQAIZRRNODOIJ-ZCFIWIBFSA-N 0 3 338.104 2.478 10 5 EEBEHN CC(COC(=O)CCCc1nc(-c2cccs2)no1)[N+](=O)[O-] ZINC000813114987 1201124834 /nfs/dbraw/zinc/12/48/34/1201124834.db2.gz ZLBFTCJXDCGKCR-VIFPVBQESA-N 0 3 325.346 2.329 10 5 EEBEHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCCN3CCO)sc2c1 ZINC000828460990 1201971935 /nfs/dbraw/zinc/97/19/35/1201971935.db2.gz HFEGPBAQJBVYPV-LBPRGKRZSA-N 0 3 336.417 2.463 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1nc(C)oc1C ZINC001273673509 1282951806 /nfs/dbraw/zinc/95/18/06/1282951806.db2.gz CLBYQAAAGUXYCY-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN CCN(CCCNC(=O)C1=CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001266035914 1323587004 /nfs/dbraw/zinc/58/70/04/1323587004.db2.gz XGRWBDHONQRMRD-UHFFFAOYSA-N 0 3 347.415 2.270 10 5 EEBEHN O=C(N[C@H]1CCc2[nH]c(C3CCCCC3)nc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001297051610 1329938968 /nfs/dbraw/zinc/93/89/68/1329938968.db2.gz UGMWGGVCLLEARB-YWPYICTPSA-N 0 3 332.404 2.096 10 5 EEBEHN O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)[C@@H]1CC1[N+](=O)[O-] ZINC001297051610 1329938969 /nfs/dbraw/zinc/93/89/69/1329938969.db2.gz UGMWGGVCLLEARB-YWPYICTPSA-N 0 3 332.404 2.096 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c[nH]1 ZINC001322616173 1333294970 /nfs/dbraw/zinc/29/49/70/1333294970.db2.gz OPAAYVGNJSGUKT-UHFFFAOYSA-N 0 3 334.351 2.314 10 5 EEBEHN CCn1cnc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001322793858 1333327704 /nfs/dbraw/zinc/32/77/04/1333327704.db2.gz XITDGGUQXBREOT-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN O=c1[nH]ccc(N2CCN[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001652342132 1354089003 /nfs/dbraw/zinc/08/90/03/1354089003.db2.gz IANGCSIVJPRBKA-GFCCVEGCSA-N 0 3 334.763 2.500 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1nccs1 ZINC001673222186 1356655290 /nfs/dbraw/zinc/65/52/90/1356655290.db2.gz UHQKQPWFXZUVFR-UHFFFAOYSA-N 0 3 346.412 2.494 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000844442492 789126518 /nfs/dbraw/zinc/12/65/18/789126518.db2.gz YRVRKVDKKPIKCM-WFASDCNBSA-N 0 3 342.342 2.456 10 5 EEBEHN CN(C)Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001468971948 1110483116 /nfs/dbraw/zinc/48/31/16/1110483116.db2.gz ODUOKCMLUBKOJC-MRXNPFEDSA-N 0 3 347.346 2.468 10 5 EEBEHN CCN1CCN(c2cccc(Nc3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC001472764504 1110562905 /nfs/dbraw/zinc/56/29/05/1110562905.db2.gz ZZQHQYKMUZUALA-UHFFFAOYSA-N 0 3 330.392 2.214 10 5 EEBEHN COc1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000191791713 239300244 /nfs/dbraw/zinc/30/02/44/239300244.db2.gz HMPWVHBBZQLXDV-FZMZJTMJSA-N 0 3 333.388 2.221 10 5 EEBEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000247182850 243390242 /nfs/dbraw/zinc/39/02/42/243390242.db2.gz LBASZBSIVVCKTC-WFASDCNBSA-N 0 3 343.387 2.313 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079561340 159134345 /nfs/dbraw/zinc/13/43/45/159134345.db2.gz OHRHXJBETYEJCS-AWEZNQCLSA-N 0 3 334.420 2.022 10 5 EEBEHN COc1cnccc1N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343064991 278076704 /nfs/dbraw/zinc/07/67/04/278076704.db2.gz KJDPZLIEYDNVRS-UHFFFAOYSA-N 0 3 332.335 2.464 10 5 EEBEHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000532144629 317844744 /nfs/dbraw/zinc/84/47/44/317844744.db2.gz MYXIDRKAXPQWRA-MRXNPFEDSA-N 0 3 328.372 2.331 10 5 EEBEHN O=[N+]([O-])c1c(N[C@@H](CO)CN2CCCCC2)ccc2ncccc21 ZINC000570771710 319694870 /nfs/dbraw/zinc/69/48/70/319694870.db2.gz IDCSITLGYYJMQS-CYBMUJFWSA-N 0 3 330.388 2.402 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@H]2CCCCN2CCO)ccc2ncccc21 ZINC000574759023 320054484 /nfs/dbraw/zinc/05/44/84/320054484.db2.gz MQNGNNMIEBZLLV-CYBMUJFWSA-N 0 3 330.388 2.402 10 5 EEBEHN O=[N+]([O-])c1c(N[C@@H]2CCCN(CCCO)C2)ccc2ncccc21 ZINC000582162738 324391335 /nfs/dbraw/zinc/39/13/35/324391335.db2.gz UAHUVMQBGICQKA-CYBMUJFWSA-N 0 3 330.388 2.402 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCN1C ZINC000123362080 463335151 /nfs/dbraw/zinc/33/51/51/463335151.db2.gz BUCSMBBKBNYHIZ-OLZOCXBDSA-N 0 3 334.420 2.216 10 5 EEBEHN CCN1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000124450985 463424839 /nfs/dbraw/zinc/42/48/39/463424839.db2.gz WYNZUZRPTJISOY-UHFFFAOYSA-N 0 3 348.447 2.051 10 5 EEBEHN C[C@@H](CO)[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295687070 464929520 /nfs/dbraw/zinc/92/95/20/464929520.db2.gz HVTWWOQCCTUJQT-GUBZILKMSA-N 0 3 329.784 2.182 10 5 EEBEHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268234775 464985358 /nfs/dbraw/zinc/98/53/58/464985358.db2.gz SXLIVRZKYZIJOL-HWPZZCPQSA-N 0 3 328.372 2.289 10 5 EEBEHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)N1CCC[C@@H](C)C1 ZINC000301687770 466010755 /nfs/dbraw/zinc/01/07/55/466010755.db2.gz MIJGNBUWRKIWRW-NEPJUHHUSA-N 0 3 348.403 2.458 10 5 EEBEHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)N1CCC[C@H](C)C1 ZINC000301687772 466011445 /nfs/dbraw/zinc/01/14/45/466011445.db2.gz MIJGNBUWRKIWRW-RYUDHWBXSA-N 0 3 348.403 2.458 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368037603 466571429 /nfs/dbraw/zinc/57/14/29/466571429.db2.gz ACOYEVLJXTUUAT-CQSZACIVSA-N 0 3 327.388 2.655 10 5 EEBEHN COc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1F ZINC000373675889 466885196 /nfs/dbraw/zinc/88/51/96/466885196.db2.gz UAWAKOWKTHVYPK-MNOVXSKESA-N 0 3 325.340 2.018 10 5 EEBEHN CCOc1cc(CN(C[C@@H]2CCC(=O)N2)C(C)C)ccc1[N+](=O)[O-] ZINC000412074004 466996010 /nfs/dbraw/zinc/99/60/10/466996010.db2.gz JGVQZRFAXSFVES-AWEZNQCLSA-N 0 3 335.404 2.483 10 5 EEBEHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000378080798 467193803 /nfs/dbraw/zinc/19/38/03/467193803.db2.gz VGFLUNVKYLFINM-UHFFFAOYSA-N 0 3 348.334 2.242 10 5 EEBEHN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000378080798 467193809 /nfs/dbraw/zinc/19/38/09/467193809.db2.gz VGFLUNVKYLFINM-UHFFFAOYSA-N 0 3 348.334 2.242 10 5 EEBEHN Cc1cc(OCC(=O)NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600468612 468565760 /nfs/dbraw/zinc/56/57/60/468565760.db2.gz FILINWYDTBQWCL-OAHLLOKOSA-N 0 3 347.415 2.415 10 5 EEBEHN COc1cccc(C(=O)NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600468716 468566254 /nfs/dbraw/zinc/56/62/54/468566254.db2.gz GYMUQOGUOXVSBJ-ZDUSSCGKSA-N 0 3 333.388 2.350 10 5 EEBEHN Cc1c(NC(=O)N2CCOC3(CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000592213521 468657122 /nfs/dbraw/zinc/65/71/22/468657122.db2.gz YRVLFIHVRARPIC-UHFFFAOYSA-N 0 3 348.403 2.232 10 5 EEBEHN CCOc1ccc([C@H](C)NCCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000592393046 468688884 /nfs/dbraw/zinc/68/88/84/468688884.db2.gz CMAPMAIAIZVYIR-LBPRGKRZSA-N 0 3 333.392 2.405 10 5 EEBEHN COc1ccc(CN[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000594968379 468733452 /nfs/dbraw/zinc/73/34/52/468733452.db2.gz WPWHTJVIISWPES-RBSFLKMASA-N 0 3 338.404 2.259 10 5 EEBEHN Cn1cc(CN[C@@H]2C[C@@H](O)C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988238 468739201 /nfs/dbraw/zinc/73/92/01/468739201.db2.gz ODLRTYIZJMNBND-HZPDHXFCSA-N 0 3 342.399 2.388 10 5 EEBEHN C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1=CCN(C)CC1 ZINC000601139638 468758544 /nfs/dbraw/zinc/75/85/44/468758544.db2.gz LCTIESDYMYIGQN-MRVPVSSYSA-N 0 3 333.314 2.409 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000571364322 468776433 /nfs/dbraw/zinc/77/64/33/468776433.db2.gz AYSZFPLLKMBLEG-HIFRSBDPSA-N 0 3 336.779 2.083 10 5 EEBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC1CN(c2ccncn2)C1 ZINC000601304198 468819631 /nfs/dbraw/zinc/81/96/31/468819631.db2.gz MUESNFHLDSKTFT-ZDUSSCGKSA-N 0 3 327.388 2.184 10 5 EEBEHN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCN1C1CC1 ZINC000571847498 468846953 /nfs/dbraw/zinc/84/69/53/468846953.db2.gz CHLQCXWACDBXFC-KRWDZBQOSA-N 0 3 342.399 2.362 10 5 EEBEHN CC(C)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595686434 468955398 /nfs/dbraw/zinc/95/53/98/468955398.db2.gz ZPMBRHNXKITCBD-XJKSGUPXSA-N 0 3 336.367 2.278 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H](CCF)C1 ZINC000595755015 468990373 /nfs/dbraw/zinc/99/03/73/468990373.db2.gz DZEBXTIFKOVLCB-KBPBESRZSA-N 0 3 326.368 2.406 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(C[C@H]2CCOC2)CC1 ZINC000593467635 468993357 /nfs/dbraw/zinc/99/33/57/468993357.db2.gz MLZGHXGLNJRNOE-CQSZACIVSA-N 0 3 342.399 2.302 10 5 EEBEHN C[C@@H]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000595781946 469007907 /nfs/dbraw/zinc/00/79/07/469007907.db2.gz WWVOTMXMYMZQRF-OLZOCXBDSA-N 0 3 349.387 2.392 10 5 EEBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000585814910 469045111 /nfs/dbraw/zinc/04/51/11/469045111.db2.gz QHOMQJDRGDUYEP-HOTGVXAUSA-N 0 3 347.415 2.487 10 5 EEBEHN C[C@H](O)[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596068560 469138425 /nfs/dbraw/zinc/13/84/25/469138425.db2.gz YYSKEVNRORURJF-XCRHUMRWSA-N 0 3 346.383 2.046 10 5 EEBEHN O=[N+]([O-])c1ncccc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596425534 469262013 /nfs/dbraw/zinc/26/20/13/469262013.db2.gz ZWNSCJSVUXUZQM-HNNXBMFYSA-N 0 3 328.372 2.169 10 5 EEBEHN COc1ccc(CC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610178058 469985700 /nfs/dbraw/zinc/98/57/00/469985700.db2.gz MXVSVKNZCSINID-GXTWGEPZSA-N 0 3 335.404 2.087 10 5 EEBEHN CN(C)C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000052554425 679238057 /nfs/dbraw/zinc/23/80/57/679238057.db2.gz VCNGSXHJSPVJDU-OAHLLOKOSA-N 0 3 328.372 2.210 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccsn1 ZINC001483022228 1188011607 /nfs/dbraw/zinc/01/16/07/1188011607.db2.gz GNVOAFQDAGRTOI-OWOJBTEDSA-N 0 3 332.385 2.127 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825708358 1198773550 /nfs/dbraw/zinc/77/35/50/1198773550.db2.gz GNLMYZLLDFFMPB-GFCCVEGCSA-N 0 3 341.795 2.089 10 5 EEBEHN Cc1cnc(C(=O)N(C)CCCNCc2csc([N+](=O)[O-])c2)cn1 ZINC001275845469 1205562786 /nfs/dbraw/zinc/56/27/86/1205562786.db2.gz MCXRJWHUYUSFIL-UHFFFAOYSA-N 0 3 349.416 2.007 10 5 EEBEHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)C1=CCCCCC1 ZINC001275968015 1205607506 /nfs/dbraw/zinc/60/75/06/1205607506.db2.gz GSOBRFOCACEGMZ-UHFFFAOYSA-N 0 3 349.435 2.157 10 5 EEBEHN Cn1ncc2c1CC(C)(C)CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000854058517 1292603540 /nfs/dbraw/zinc/60/35/40/1292603540.db2.gz OXZYGCGWCUMBLI-QGZVFWFLSA-N 0 3 344.415 2.446 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855165648 1293095288 /nfs/dbraw/zinc/09/52/88/1293095288.db2.gz XRFANYAWXRKVIO-JTQLQIEISA-N 0 3 349.416 2.202 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)Cc1ccc[nH]1 ZINC001276394001 1314630649 /nfs/dbraw/zinc/63/06/49/1314630649.db2.gz WXJXXEXYTNOBQL-UHFFFAOYSA-N 0 3 336.417 2.165 10 5 EEBEHN Cc1cccnc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317580847 1332307329 /nfs/dbraw/zinc/30/73/29/1332307329.db2.gz XESDIAVRTMSSCZ-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CC(N)=O)CCCCC1 ZINC001655038414 1354163739 /nfs/dbraw/zinc/16/37/39/1354163739.db2.gz CPRLWQITLBBXQJ-UHFFFAOYSA-N 0 3 348.403 2.010 10 5 EEBEHN O=[N+]([O-])c1cc(Cl)c(N2CC(N[C@H]3CCOC3)C2)c(Cl)c1 ZINC001655895043 1354188854 /nfs/dbraw/zinc/18/88/54/1354188854.db2.gz SHBXQMPCAYYYGG-QMMMGPOBSA-N 0 3 332.187 2.469 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccco1 ZINC001663814173 1355037791 /nfs/dbraw/zinc/03/77/91/1355037791.db2.gz URRAOFXGDPSZSD-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC001668772523 1356001711 /nfs/dbraw/zinc/00/17/11/1356001711.db2.gz CYGRQQLJONPNEF-OWOJBTEDSA-N 0 3 344.346 2.205 10 5 EEBEHN Cc1ccn(C)c1C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001479766612 1098932870 /nfs/dbraw/zinc/93/28/70/1098932870.db2.gz BSRHCKXYAZNGEO-UHFFFAOYSA-N 0 3 344.415 2.494 10 5 EEBEHN O=C(Cc1ccoc1)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001479363012 1110686796 /nfs/dbraw/zinc/68/67/96/1110686796.db2.gz YNLVOLODJARNLC-KOMQPUFPSA-N 0 3 343.383 2.415 10 5 EEBEHN O=[N+]([O-])c1cc(CN2CCN3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000248331823 285086557 /nfs/dbraw/zinc/08/65/57/285086557.db2.gz FBYFNEAWLWSMDN-HNNXBMFYSA-N 0 3 333.388 2.131 10 5 EEBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000184765471 160017284 /nfs/dbraw/zinc/01/72/84/160017284.db2.gz FNIRSCJSEWVHKC-DOTOQJQBSA-N 0 3 331.416 2.470 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2noc(CN3CCN4CCCC[C@H]4C3)n2)cc1 ZINC000246152652 160264635 /nfs/dbraw/zinc/26/46/35/160264635.db2.gz GPTRAEYKZVUUID-HNNXBMFYSA-N 0 3 343.387 2.315 10 5 EEBEHN COc1cnccc1N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000355650344 163259259 /nfs/dbraw/zinc/25/92/59/163259259.db2.gz NETSBWUWNLEPBJ-UHFFFAOYSA-N 0 3 328.372 2.321 10 5 EEBEHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360877486 164395044 /nfs/dbraw/zinc/39/50/44/164395044.db2.gz PVTZIBJZSASGKK-LLVKDONJSA-N 0 3 347.462 2.151 10 5 EEBEHN CN(c1ccc([N+](=O)[O-])cc1)C1CCN(CCn2cccn2)CC1 ZINC000271574183 274142564 /nfs/dbraw/zinc/14/25/64/274142564.db2.gz CGMQZTDBDPIQSG-UHFFFAOYSA-N 0 3 329.404 2.392 10 5 EEBEHN CC[C@H](C)N1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000590661404 468298237 /nfs/dbraw/zinc/29/82/37/468298237.db2.gz CJIHYKMCNGGAQS-ZDUSSCGKSA-N 0 3 335.404 2.298 10 5 EEBEHN O=C(Nc1cnccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000096011815 463141738 /nfs/dbraw/zinc/14/17/38/463141738.db2.gz WAYOAZNOZSXRNM-UHFFFAOYSA-N 0 3 346.318 2.218 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000170864139 463726380 /nfs/dbraw/zinc/72/63/80/463726380.db2.gz OOORHWSWIMEHPI-ZDUSSCGKSA-N 0 3 346.412 2.494 10 5 EEBEHN CCOc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171448106 463865089 /nfs/dbraw/zinc/86/50/89/463865089.db2.gz PYMAMUVHQIJBKP-AWEZNQCLSA-N 0 3 333.388 2.304 10 5 EEBEHN COc1cc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000281560678 464502841 /nfs/dbraw/zinc/50/28/41/464502841.db2.gz DAJPCFTUFVSVGE-UHFFFAOYSA-N 0 3 340.399 2.180 10 5 EEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182248138 464609994 /nfs/dbraw/zinc/60/99/94/464609994.db2.gz IYGUHCJRHUMMBJ-CHWSQXEVSA-N 0 3 347.371 2.022 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000282040788 464677377 /nfs/dbraw/zinc/67/73/77/464677377.db2.gz LMLFBKDAZLOJPJ-CQSZACIVSA-N 0 3 344.419 2.204 10 5 EEBEHN C[C@H]1CN2CCC[C@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000247522079 464690699 /nfs/dbraw/zinc/69/06/99/464690699.db2.gz WVZMDKRMINSVQK-WFASDCNBSA-N 0 3 343.387 2.313 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000366598051 465825355 /nfs/dbraw/zinc/82/53/55/465825355.db2.gz NFEJREREMOWTCY-CZUORRHYSA-N 0 3 340.383 2.383 10 5 EEBEHN O=C(CCN1CCC[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411314301 466804350 /nfs/dbraw/zinc/80/43/50/466804350.db2.gz DQDZBEOVWSHLLP-CJNGLKHVSA-N 0 3 333.388 2.424 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424004572 466947507 /nfs/dbraw/zinc/94/75/07/466947507.db2.gz BMKCBLFGNPCTGJ-JKSUJKDBSA-N 0 3 344.346 2.004 10 5 EEBEHN C[C@](CO)(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000451028114 467230260 /nfs/dbraw/zinc/23/02/60/467230260.db2.gz CHTSFMDTUHLYGJ-QGZVFWFLSA-N 0 3 332.356 2.177 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488907075 468111132 /nfs/dbraw/zinc/11/11/32/468111132.db2.gz ILFBOTCEPNOJIR-MRXNPFEDSA-N 0 3 346.362 2.470 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000589503235 468158321 /nfs/dbraw/zinc/15/83/21/468158321.db2.gz LDARWBYHDIAMNB-KBPBESRZSA-N 0 3 334.372 2.240 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCC2(C(F)(F)F)CC2)c1 ZINC000567708006 468191008 /nfs/dbraw/zinc/19/10/08/468191008.db2.gz HHGOVMAWQWHJAZ-LLVKDONJSA-N 0 3 334.294 2.267 10 5 EEBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000590445650 468259159 /nfs/dbraw/zinc/25/91/59/468259159.db2.gz RIVIKFFHZRGSIR-HUBLWGQQSA-N 0 3 335.429 2.238 10 5 EEBEHN O=[N+]([O-])c1ccc(CCO)c(-c2cccc([C@@H]3CNCCO3)c2)c1 ZINC000600792656 468659243 /nfs/dbraw/zinc/65/92/43/468659243.db2.gz KYCCCGBOJUWUCW-SFHVURJKSA-N 0 3 328.368 2.458 10 5 EEBEHN N[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[C@H]1F ZINC000595228326 468788595 /nfs/dbraw/zinc/78/85/95/468788595.db2.gz QXKGELLIHATMLE-RKDXNWHRSA-N 0 3 348.281 2.099 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000593022168 468843747 /nfs/dbraw/zinc/84/37/47/468843747.db2.gz CLWDKBKQDBHLAX-WBVHZDCISA-N 0 3 334.372 2.429 10 5 EEBEHN CN1CCC(n2cc(NC(=O)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000601779875 469021126 /nfs/dbraw/zinc/02/11/26/469021126.db2.gz YWAUISSVJDCWKC-UHFFFAOYSA-N 0 3 329.360 2.310 10 5 EEBEHN COc1cccc([N+](=O)[O-])c1N1CCC(N2CCCOCC2)CC1 ZINC000596268577 469227267 /nfs/dbraw/zinc/22/72/67/469227267.db2.gz MICNJTBELLBYKH-UHFFFAOYSA-N 0 3 335.404 2.295 10 5 EEBEHN COC(=O)C(C)(C)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000611404623 469241818 /nfs/dbraw/zinc/24/18/18/469241818.db2.gz INIQSXFNYIKJRM-HNNXBMFYSA-N 0 3 346.387 2.321 10 5 EEBEHN C[C@@H]1CCOCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000775567409 577439669 /nfs/dbraw/zinc/43/96/69/577439669.db2.gz XSCDELLJEUQCOP-GFCCVEGCSA-N 0 3 335.360 2.004 10 5 EEBEHN Cc1c(I)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114405 675788205 /nfs/dbraw/zinc/78/82/05/675788205.db2.gz RABIXXYMGJFEPN-ZETCQYMHSA-N 0 3 349.124 2.422 10 5 EEBEHN CC1(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCOCC2)CC1 ZINC001484181526 1191259007 /nfs/dbraw/zinc/25/90/07/1191259007.db2.gz DQQACUJXUBMZCS-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1C ZINC000928453414 1206387139 /nfs/dbraw/zinc/38/71/39/1206387139.db2.gz KLDMIHINCXLTCS-ZFWWWQNUSA-N 0 3 346.431 2.020 10 5 EEBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000859955511 1294724571 /nfs/dbraw/zinc/72/45/71/1294724571.db2.gz VAJLYLABEYUNRR-HZMVEIRTSA-N 0 3 348.399 2.292 10 5 EEBEHN CN1CCOC[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000862508357 1295862432 /nfs/dbraw/zinc/86/24/32/1295862432.db2.gz ORTQRASROWYNII-NSHDSACASA-N 0 3 334.203 2.322 10 5 EEBEHN Cn1nccc1[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000927126067 1297027733 /nfs/dbraw/zinc/02/77/33/1297027733.db2.gz DBWMRUCJWWEDIE-HOCLYGCPSA-N 0 3 330.388 2.374 10 5 EEBEHN CN(c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001639590573 1352699820 /nfs/dbraw/zinc/69/98/20/1352699820.db2.gz RMOBPFOHNKBPDQ-OAHLLOKOSA-N 0 3 329.404 2.429 10 5 EEBEHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCC2)C1 ZINC000912924076 788499143 /nfs/dbraw/zinc/49/91/43/788499143.db2.gz QCXGGDVPIVHCRT-MRXNPFEDSA-N 0 3 332.404 2.094 10 5 EEBEHN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCOC1 ZINC001460791034 1110324146 /nfs/dbraw/zinc/32/41/46/1110324146.db2.gz SAWHRFJMLYNKDB-XHDPSFHLSA-N 0 3 334.376 2.002 10 5 EEBEHN C[C@H]1CC[C@@](CO)(NCCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC001460952878 1110329749 /nfs/dbraw/zinc/32/97/49/1110329749.db2.gz WTYJSUFRVGHBIG-GUYCJALGSA-N 0 3 330.388 2.166 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001526288313 1120489450 /nfs/dbraw/zinc/48/94/50/1120489450.db2.gz YNYZELCCDZYEKK-RISCZKNCSA-N 0 3 335.429 2.483 10 5 EEBEHN Cn1cc(CN2CCCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000105869848 204172770 /nfs/dbraw/zinc/17/27/70/204172770.db2.gz UOWLDDQXAYOPPE-UHFFFAOYSA-N 0 3 343.431 2.079 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCNc1ccncc1 ZINC000342452957 161066697 /nfs/dbraw/zinc/06/66/97/161066697.db2.gz XQGHXBBDEIVDNC-UHFFFAOYSA-N 0 3 329.360 2.262 10 5 EEBEHN CCN1CCN(C[C@@H](C)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278422212 274353867 /nfs/dbraw/zinc/35/38/67/274353867.db2.gz IPXDFRBISQAQSU-ZDUSSCGKSA-N 0 3 346.435 2.157 10 5 EEBEHN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000195314054 275012498 /nfs/dbraw/zinc/01/24/98/275012498.db2.gz QJVQGMJULGWPIX-HNNXBMFYSA-N 0 3 344.415 2.115 10 5 EEBEHN Cc1sc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000104531889 294069648 /nfs/dbraw/zinc/06/96/48/294069648.db2.gz MAKBYXPNNBWXHS-GFCCVEGCSA-N 0 3 341.433 2.148 10 5 EEBEHN CC[C@H](CO)N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296915914 294101055 /nfs/dbraw/zinc/10/10/55/294101055.db2.gz ALDYHHHQZDBJHR-CQSZACIVSA-N 0 3 330.388 2.036 10 5 EEBEHN CC[C@H](NC(=O)NCCNc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000493134405 315888970 /nfs/dbraw/zinc/88/89/70/315888970.db2.gz SQPVWKJBKIZOFX-INIZCTEOSA-N 0 3 343.387 2.274 10 5 EEBEHN C[C@@H]1COCCN1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000575327563 320101356 /nfs/dbraw/zinc/10/13/56/320101356.db2.gz YSKSBUAKIGLPPK-GFCCVEGCSA-N 0 3 325.434 2.341 10 5 EEBEHN CCOc1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113226847 462578068 /nfs/dbraw/zinc/57/80/68/462578068.db2.gz JGLPNFVSTAEXNR-GXTWGEPZSA-N 0 3 333.388 2.302 10 5 EEBEHN Cc1c(C(=O)N2CCC(N3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000600006692 468435463 /nfs/dbraw/zinc/43/54/63/468435463.db2.gz CDVSEYIRJWBGFT-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN O=C(CSc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000337918398 465680936 /nfs/dbraw/zinc/68/09/36/465680936.db2.gz UYVKZTZNHGCXTG-UHFFFAOYSA-N 0 3 335.429 2.430 10 5 EEBEHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCN1CCCCC1 ZINC000362522819 465802280 /nfs/dbraw/zinc/80/22/80/465802280.db2.gz YBLRWCRNRLVEDK-UHFFFAOYSA-N 0 3 327.331 2.018 10 5 EEBEHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362563930 465833353 /nfs/dbraw/zinc/83/33/53/465833353.db2.gz FLRJUNHKBWOIDD-GWCFXTLKSA-N 0 3 347.400 2.113 10 5 EEBEHN C[C@H](C(=O)N(C)[C@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000349157518 466000203 /nfs/dbraw/zinc/00/02/03/466000203.db2.gz YTOSZGRLBCZPME-ZBEGNZNMSA-N 0 3 335.379 2.390 10 5 EEBEHN Nc1nccc([C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366004149 467023901 /nfs/dbraw/zinc/02/39/01/467023901.db2.gz NJAMNAWDUZUDBV-AWEZNQCLSA-N 0 3 327.388 2.389 10 5 EEBEHN C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1=CCN(C)CC1 ZINC000487031764 468019168 /nfs/dbraw/zinc/01/91/68/468019168.db2.gz ADOLQWYVDWDHRT-SNVBAGLBSA-N 0 3 339.342 2.182 10 5 EEBEHN O=C(N[C@H]1CCN(C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601016260 468719359 /nfs/dbraw/zinc/71/93/59/468719359.db2.gz IQPWSNFSRQPPDK-AWEZNQCLSA-N 0 3 329.400 2.369 10 5 EEBEHN CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000597946297 468721428 /nfs/dbraw/zinc/72/14/28/468721428.db2.gz NSAQHUVGGZNEGA-AWEZNQCLSA-N 0 3 335.404 2.225 10 5 EEBEHN O=[N+]([O-])c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000594976306 468735989 /nfs/dbraw/zinc/73/59/89/468735989.db2.gz ZFBPBPCJKKVSST-LJQANCHMSA-N 0 3 341.411 2.451 10 5 EEBEHN O=[N+]([O-])c1ccc(CNCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 ZINC000594976306 468735995 /nfs/dbraw/zinc/73/59/95/468735995.db2.gz ZFBPBPCJKKVSST-LJQANCHMSA-N 0 3 341.411 2.451 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)[C@@]1(O)CCOC1 ZINC000595046313 468747744 /nfs/dbraw/zinc/74/77/44/468747744.db2.gz PCBGUUVYSWFSNR-YVEFUNNKSA-N 0 3 338.404 2.432 10 5 EEBEHN COc1ccc(OCCN2CCCC[C@H]2C2(O)CC2)c([N+](=O)[O-])c1 ZINC000571405307 468784599 /nfs/dbraw/zinc/78/45/99/468784599.db2.gz KEMKWJNXKDDVNV-INIZCTEOSA-N 0 3 336.388 2.362 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593463857 468991404 /nfs/dbraw/zinc/99/14/04/468991404.db2.gz AHUPLTSJMRIAFO-ZDUSSCGKSA-N 0 3 330.388 2.036 10 5 EEBEHN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCN1CC(C)(C)O ZINC000593477136 468997814 /nfs/dbraw/zinc/99/78/14/468997814.db2.gz WFMWWSHHIIKDTQ-ZDUSSCGKSA-N 0 3 344.415 2.424 10 5 EEBEHN CN1CCC(n2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cn2)CC1 ZINC000601774332 469017260 /nfs/dbraw/zinc/01/72/60/469017260.db2.gz LZTRPNSWPQLZOQ-UHFFFAOYSA-N 0 3 347.350 2.449 10 5 EEBEHN CN(CCN1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C ZINC000593756700 469125558 /nfs/dbraw/zinc/12/55/58/469125558.db2.gz FVFKESMBAHIKJY-UHFFFAOYSA-N 0 3 344.419 2.312 10 5 EEBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](C(F)F)C1 ZINC000611180004 469184486 /nfs/dbraw/zinc/18/44/86/469184486.db2.gz PNDDFQJUUBDZFU-SNVBAGLBSA-N 0 3 341.314 2.480 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccccn1)C1CCC1 ZINC000599573963 469297025 /nfs/dbraw/zinc/29/70/25/469297025.db2.gz LLUWVXKPRHLGJX-KRWDZBQOSA-N 0 3 328.372 2.283 10 5 EEBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599626102 469314851 /nfs/dbraw/zinc/31/48/51/469314851.db2.gz UEKDECKHMNFMBA-YYFFNPIBSA-N 0 3 333.388 2.102 10 5 EEBEHN CN1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000604198338 469462930 /nfs/dbraw/zinc/46/29/30/469462930.db2.gz GXLUSSMNZFCAFS-HNNXBMFYSA-N 0 3 346.431 2.022 10 5 EEBEHN CC(COC(=O)C1(c2cncc(Br)c2)CC1)[N+](=O)[O-] ZINC000813114171 675766345 /nfs/dbraw/zinc/76/63/45/675766345.db2.gz ZOFHKBHAFBYNLI-MRVPVSSYSA-N 0 3 329.150 2.084 10 5 EEBEHN CCc1ncc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001481322250 1181033160 /nfs/dbraw/zinc/03/31/60/1181033160.db2.gz UONPZAMGVGNOCK-UHFFFAOYSA-N 0 3 348.428 2.476 10 5 EEBEHN C[C@@H](N[C@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076141 1198041896 /nfs/dbraw/zinc/04/18/96/1198041896.db2.gz YDNMOXLWTPEZFL-OLZOCXBDSA-N 0 3 325.384 2.231 10 5 EEBEHN CCCc1ccc(N2C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC2=O)cc1 ZINC000813103751 1201096826 /nfs/dbraw/zinc/09/68/26/1201096826.db2.gz SJCCIBCMPBJHHI-GXTWGEPZSA-N 0 3 334.372 2.200 10 5 EEBEHN CC(COC(=O)[C@H](C)Oc1ccccc1Br)[N+](=O)[O-] ZINC000813106881 1201116342 /nfs/dbraw/zinc/11/63/42/1201116342.db2.gz JBAWBXPVSFJPPH-BDAKNGLRSA-N 0 3 332.150 2.425 10 5 EEBEHN CC(COC(=O)[C@@H](C)Oc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110009 1201120447 /nfs/dbraw/zinc/12/04/47/1201120447.db2.gz YLPXINOJLNZLSN-RKDXNWHRSA-N 0 3 332.150 2.425 10 5 EEBEHN CC1(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001274447836 1205042212 /nfs/dbraw/zinc/04/22/12/1205042212.db2.gz GWSZQUDFAJBVLD-NSCUHMNNSA-N 0 3 347.415 2.174 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@@H]3CO2)ccc2cnccc21 ZINC000858374498 1294099959 /nfs/dbraw/zinc/09/99/59/1294099959.db2.gz NWBZOAVPROFFLB-KGLIPLIRSA-N 0 3 328.372 2.418 10 5 EEBEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000861350705 1295359575 /nfs/dbraw/zinc/35/95/75/1295359575.db2.gz FCTBXGHLDFQFNO-PVUWLOKVSA-N 0 3 336.388 2.351 10 5 EEBEHN CN1C(=O)c2ccccc2[C@@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863581903 1296343419 /nfs/dbraw/zinc/34/34/19/1296343419.db2.gz YBVDABXJJLFCBK-IRXDYDNUSA-N 0 3 341.367 2.045 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001123864391 1310740405 /nfs/dbraw/zinc/74/04/05/1310740405.db2.gz YFKNINGXBFUDEE-DLBZAZTESA-N 0 3 347.415 2.011 10 5 EEBEHN CCCN1CCCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247336 1314582596 /nfs/dbraw/zinc/58/25/96/1314582596.db2.gz KCJYYEHMQHCVAP-KRWDZBQOSA-N 0 3 347.415 2.449 10 5 EEBEHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001161000183 1320349593 /nfs/dbraw/zinc/34/95/93/1320349593.db2.gz GULLKNMNVJZACF-NSHDSACASA-N 0 3 336.348 2.059 10 5 EEBEHN Cc1[nH]ccc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001316819886 1331911702 /nfs/dbraw/zinc/91/17/02/1331911702.db2.gz XYOPLVHCRXBVQQ-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cccc(=O)[nH]1 ZINC001648420896 1353428876 /nfs/dbraw/zinc/42/88/76/1353428876.db2.gz IHSRESBPOAGNCU-UHFFFAOYSA-N 0 3 348.334 2.295 10 5 EEBEHN Cc1nn(C)c(C(=O)Nc2ccc(CN(C)C)cc2F)c1[N+](=O)[O-] ZINC001654637213 1354154706 /nfs/dbraw/zinc/15/47/06/1354154706.db2.gz IHEMUPGNNGBPFN-UHFFFAOYSA-N 0 3 335.339 2.090 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccnn1C ZINC001659865057 1354388421 /nfs/dbraw/zinc/38/84/21/1354388421.db2.gz ALOBVMXMZVLFRB-NSHDSACASA-N 0 3 347.375 2.016 10 5 EEBEHN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000920337722 770678866 /nfs/dbraw/zinc/67/88/66/770678866.db2.gz XVZBPLHCUCLPRI-RBWDJNPFSA-N 0 3 331.372 2.430 10 5 EEBEHN CC([C@H](OC(=O)c1cn(CC2CC2)nn1)c1ccccc1F)[N+](=O)[O-] ZINC000845883748 789974262 /nfs/dbraw/zinc/97/42/62/789974262.db2.gz VRFYRIRMPKMLMO-BONVTDFDSA-N 0 3 348.334 2.391 10 5 EEBEHN Cc1c[nH]cc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001566516670 1125689511 /nfs/dbraw/zinc/68/95/11/1125689511.db2.gz UHZQIPLEDHHOAC-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN O=C(NC/C=C\CNCc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001497534990 1102634065 /nfs/dbraw/zinc/63/40/65/1102634065.db2.gz MAXBSAIVUVVKGD-ARJAWSKDSA-N 0 3 341.367 2.376 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)NCCCN(C)Cc2ccccc2)n1 ZINC000191474952 237256834 /nfs/dbraw/zinc/25/68/34/237256834.db2.gz GYQYPAZJIOAVGC-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN COCCN(C)C(=O)[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000070039376 203071645 /nfs/dbraw/zinc/07/16/45/203071645.db2.gz DLKKNTKHRDYJKH-ZBFHGGJFSA-N 0 3 349.431 2.473 10 5 EEBEHN CCc1nc(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190690348 152217488 /nfs/dbraw/zinc/21/74/88/152217488.db2.gz VAJYFNFDXHNDAL-HNNXBMFYSA-N 0 3 345.403 2.188 10 5 EEBEHN CCc1n[nH]c(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190690348 152217492 /nfs/dbraw/zinc/21/74/92/152217492.db2.gz VAJYFNFDXHNDAL-HNNXBMFYSA-N 0 3 345.403 2.188 10 5 EEBEHN CCc1nnc(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190690348 152217494 /nfs/dbraw/zinc/21/74/94/152217494.db2.gz VAJYFNFDXHNDAL-HNNXBMFYSA-N 0 3 345.403 2.188 10 5 EEBEHN COc1cc(CN(C)C2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000344121141 161200309 /nfs/dbraw/zinc/20/03/09/161200309.db2.gz SNLFMOHSUVEAIA-UHFFFAOYSA-N 0 3 335.404 2.483 10 5 EEBEHN CN(C)CC1(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000344225283 161209019 /nfs/dbraw/zinc/20/90/19/161209019.db2.gz RHMPAPBAKJTTLC-UHFFFAOYSA-N 0 3 327.331 2.016 10 5 EEBEHN CCOc1ccc([C@H](C)NC[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000154261582 292519743 /nfs/dbraw/zinc/51/97/43/292519743.db2.gz UBZARJJQLDWTAL-SUMWQHHRSA-N 0 3 338.404 2.433 10 5 EEBEHN C[C@H]1COCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277456417 274294384 /nfs/dbraw/zinc/29/43/84/274294384.db2.gz MFJFNBNRNLIADP-JOYOIKCWSA-N 0 3 327.768 2.201 10 5 EEBEHN CN1CCN(CCCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291689024 275330231 /nfs/dbraw/zinc/33/02/31/275330231.db2.gz SFJFTGVDJQGHAX-UHFFFAOYSA-N 0 3 329.404 2.192 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H](C)C[NH+](C)C)c1 ZINC000292724413 275470621 /nfs/dbraw/zinc/47/06/21/275470621.db2.gz SBOAFZMOOLNNTK-JTQLQIEISA-N 0 3 349.840 2.033 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298927295 294618068 /nfs/dbraw/zinc/61/80/68/294618068.db2.gz GRVMOJHCDYMCRZ-MRXNPFEDSA-N 0 3 327.384 2.498 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448883481 315396740 /nfs/dbraw/zinc/39/67/40/315396740.db2.gz QYDJWHHXUQOXRB-AWEZNQCLSA-N 0 3 343.387 2.151 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000337214070 465247363 /nfs/dbraw/zinc/24/73/63/465247363.db2.gz DVDLFGYDQAMWKC-UHFFFAOYSA-N 0 3 344.371 2.491 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(=O)c2cc(F)c(N3C[C@@H](C)N[C@H](C)C3)cc21 ZINC000005393656 462658881 /nfs/dbraw/zinc/65/88/81/462658881.db2.gz DMJRIWIYFASLJV-GHMZBOCLSA-N 0 3 348.378 2.255 10 5 EEBEHN COc1cc(NC2CCN([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000089602851 462697902 /nfs/dbraw/zinc/69/79/02/462697902.db2.gz AJJSZNJOTWNXOM-LBPRGKRZSA-N 0 3 339.367 2.408 10 5 EEBEHN Cc1nccn1C[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154412440 462765524 /nfs/dbraw/zinc/76/55/24/462765524.db2.gz SWKRWXFGQZKWMC-IRXDYDNUSA-N 0 3 330.388 2.298 10 5 EEBEHN COc1ccc(CC(=O)NCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000067907073 463065989 /nfs/dbraw/zinc/06/59/89/463065989.db2.gz QFBMOLXWNFLTRH-CYBMUJFWSA-N 0 3 335.404 2.137 10 5 EEBEHN CCc1n[n-]c(C(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)c1[N+](=O)[O-] ZINC000171820680 463930307 /nfs/dbraw/zinc/93/03/07/463930307.db2.gz LYLJZBCYDAGVNK-LLVKDONJSA-N 0 3 346.391 2.117 10 5 EEBEHN Cc1cc(N2CC[C@@H]3OCCN(C)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000284853318 464366357 /nfs/dbraw/zinc/36/63/57/464366357.db2.gz DVDDRMJHGRGNFX-MSOLQXFVSA-N 0 3 342.399 2.361 10 5 EEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180985227 464431055 /nfs/dbraw/zinc/43/10/55/464431055.db2.gz JNGRCPWYFJTSBH-GFCCVEGCSA-N 0 3 337.376 2.030 10 5 EEBEHN CCN1CCC[C@H]1CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245475450 464486644 /nfs/dbraw/zinc/48/66/44/464486644.db2.gz RXFWVTKNMVTNSX-IRXDYDNUSA-N 0 3 346.431 2.116 10 5 EEBEHN CC[C@H](NC[C@@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181533293 464501409 /nfs/dbraw/zinc/50/14/09/464501409.db2.gz UYQQKGHZJBXUMZ-WBVHZDCISA-N 0 3 338.404 2.192 10 5 EEBEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000190446357 464647617 /nfs/dbraw/zinc/64/76/17/464647617.db2.gz MQUBHUOELPRFRP-OAHLLOKOSA-N 0 3 327.388 2.343 10 5 EEBEHN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000286023252 464778059 /nfs/dbraw/zinc/77/80/59/464778059.db2.gz AQBSHIRAXIVPTM-NWDGAFQWSA-N 0 3 336.392 2.004 10 5 EEBEHN CN(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000301854507 466046414 /nfs/dbraw/zinc/04/64/14/466046414.db2.gz YINDTSFVYBSXJJ-CYBMUJFWSA-N 0 3 344.350 2.491 10 5 EEBEHN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCCO1 ZINC000594041076 468469191 /nfs/dbraw/zinc/46/91/91/468469191.db2.gz CEFUHXFRQDXARL-DOTOQJQBSA-N 0 3 347.415 2.421 10 5 EEBEHN O=[N+]([O-])c1cnccc1NCc1ccc(OCCN2CCCC2)cc1 ZINC000347299062 466545132 /nfs/dbraw/zinc/54/51/32/466545132.db2.gz XYIBEBXBGIHQIT-UHFFFAOYSA-N 0 3 342.399 2.498 10 5 EEBEHN COc1cc(CNC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1[O-] ZINC000370134448 466772506 /nfs/dbraw/zinc/77/25/06/466772506.db2.gz XHPZRVWGQAIKHQ-UHFFFAOYSA-N 0 3 335.404 2.416 10 5 EEBEHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510243 468612306 /nfs/dbraw/zinc/61/23/06/468612306.db2.gz KRQKBGJMRSTNHK-RWMBFGLXSA-N 0 3 325.384 2.321 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592166860 468644844 /nfs/dbraw/zinc/64/48/44/468644844.db2.gz JZVNQFNNMKOEMK-ROUUACIJSA-N 0 3 344.415 2.249 10 5 EEBEHN COCc1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000595066484 468752193 /nfs/dbraw/zinc/75/21/93/468752193.db2.gz HUOBGEPBNOHCGN-GXTWGEPZSA-N 0 3 345.403 2.360 10 5 EEBEHN CN(C)CCOc1cc(CNc2ncc(F)cc2[N+](=O)[O-])ccn1 ZINC000601135587 468755862 /nfs/dbraw/zinc/75/58/62/468755862.db2.gz HLKYXGRGDWTWJP-UHFFFAOYSA-N 0 3 335.339 2.076 10 5 EEBEHN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000595615346 468923238 /nfs/dbraw/zinc/92/32/38/468923238.db2.gz LWRJXLZDMZTKPR-OAHLLOKOSA-N 0 3 334.376 2.002 10 5 EEBEHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598971831 469072942 /nfs/dbraw/zinc/07/29/42/469072942.db2.gz GKVAPYGYBWAEAN-UVBJJODRSA-N 0 3 338.429 2.393 10 5 EEBEHN O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CCN3C3CCCC3)c2c1 ZINC000599166574 469146432 /nfs/dbraw/zinc/14/64/32/469146432.db2.gz YFBSETJAUVDTQS-AWEZNQCLSA-N 0 3 327.388 2.967 10 5 EEBEHN C[N@@H+]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000596290324 469233859 /nfs/dbraw/zinc/23/38/59/469233859.db2.gz CCSNQGONCBKGON-KGLIPLIRSA-N 0 3 328.372 2.453 10 5 EEBEHN C[N@H+]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000596290324 469233861 /nfs/dbraw/zinc/23/38/61/469233861.db2.gz CCSNQGONCBKGON-KGLIPLIRSA-N 0 3 328.372 2.453 10 5 EEBEHN COCCC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001266721660 1177288485 /nfs/dbraw/zinc/28/84/85/1177288485.db2.gz ZUTJYQQGEQFILU-GASCZTMLSA-N 0 3 349.431 2.394 10 5 EEBEHN Cc1ncc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001481214169 1180279504 /nfs/dbraw/zinc/27/95/04/1180279504.db2.gz POLYLGNMJBMUEZ-UHFFFAOYSA-N 0 3 334.401 2.222 10 5 EEBEHN CCc1cncc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001481257647 1180491267 /nfs/dbraw/zinc/49/12/67/1180491267.db2.gz LUWAYMATXZHMFM-UHFFFAOYSA-N 0 3 342.399 2.414 10 5 EEBEHN CC(COC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813107259 1201118595 /nfs/dbraw/zinc/11/85/95/1201118595.db2.gz NUUAVMMYOXOZBC-SNVBAGLBSA-N 0 3 349.792 2.102 10 5 EEBEHN C[C@@H](NCC[S@](=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850498252 1277250041 /nfs/dbraw/zinc/25/00/41/1277250041.db2.gz YYDPSYNYUUIOTQ-PJLCYMMNSA-N 0 3 339.339 2.139 10 5 EEBEHN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC001123354830 1310535736 /nfs/dbraw/zinc/53/57/36/1310535736.db2.gz FQWOBLZVJUCJDI-KRWDZBQOSA-N 0 3 349.431 2.429 10 5 EEBEHN CN(CCCNC(=O)c1ccn(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001265824666 1323403663 /nfs/dbraw/zinc/40/36/63/1323403663.db2.gz BDIDUEWGLFGDBI-UHFFFAOYSA-N 0 3 330.388 2.185 10 5 EEBEHN Cc1c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594215505 1349875096 /nfs/dbraw/zinc/87/50/96/1349875096.db2.gz WNGOYYOFYKXYTE-UONOGXRCSA-N 0 3 348.359 2.120 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CN(C)C)cc2F)n1 ZINC001637937161 1352682674 /nfs/dbraw/zinc/68/26/74/1352682674.db2.gz DNMKYDXQLWJQTQ-UHFFFAOYSA-N 0 3 335.339 2.264 10 5 EEBEHN Cn1cnnc1CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001644582672 1352763697 /nfs/dbraw/zinc/76/36/97/1352763697.db2.gz SETJULSSYBGJEA-UHFFFAOYSA-N 0 3 345.403 2.057 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(NCC2CCN(Cc3ccncc3)CC2)n1 ZINC001651219076 1354045133 /nfs/dbraw/zinc/04/51/33/1354045133.db2.gz JQYGAARIDWKBLC-UHFFFAOYSA-N 0 3 330.392 2.047 10 5 EEBEHN C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccnn1C ZINC001655380865 1354171465 /nfs/dbraw/zinc/17/14/65/1354171465.db2.gz HHTPJMDSMZWHCC-JTQLQIEISA-N 0 3 335.339 2.147 10 5 EEBEHN CC[C@H](NC[C@H](O)CN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001658034414 1354352205 /nfs/dbraw/zinc/35/22/05/1354352205.db2.gz CICWSKMAOIHYOW-KBPBESRZSA-N 0 3 349.353 2.491 10 5 EEBEHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC001175210558 798033097 /nfs/dbraw/zinc/03/30/97/798033097.db2.gz BVHNPVWUMLDHPX-NSHDSACASA-N 0 3 329.360 2.266 10 5 EEBEHN CN1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790565872 808804307 /nfs/dbraw/zinc/80/43/07/808804307.db2.gz VIWODRJDBWETIC-SNVBAGLBSA-N 0 3 329.759 2.140 10 5 EEBEHN C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)Cc2c[nH]nc21 ZINC001460602162 1110319139 /nfs/dbraw/zinc/31/91/39/1110319139.db2.gz FROMHKDUAWMORO-SNVBAGLBSA-N 0 3 347.350 2.405 10 5 EEBEHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3ncccn3)CC2)cc1 ZINC001460804820 1110324823 /nfs/dbraw/zinc/32/48/23/1110324823.db2.gz CFYPSJGPTXZUJQ-INIZCTEOSA-N 0 3 328.372 2.298 10 5 EEBEHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccccc1 ZINC001539242826 1124050542 /nfs/dbraw/zinc/05/05/42/1124050542.db2.gz ACORQVYHPNAZAE-HNNXBMFYSA-N 0 3 342.399 2.080 10 5 EEBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069843414 203055710 /nfs/dbraw/zinc/05/57/10/203055710.db2.gz DZJNXNLGSQQXCB-IUODEOHRSA-N 0 3 344.415 2.478 10 5 EEBEHN CC(C)c1ccc(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266430545 248297590 /nfs/dbraw/zinc/29/75/90/248297590.db2.gz KQPWPYYMFKQCLY-QGZVFWFLSA-N 0 3 332.404 2.408 10 5 EEBEHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355269413 163129313 /nfs/dbraw/zinc/12/93/13/163129313.db2.gz CILWWWAWAIATMS-OAHLLOKOSA-N 0 3 342.399 2.280 10 5 EEBEHN Cc1ccc([C@H](C)NC[C@H](O)COC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000245856437 292594397 /nfs/dbraw/zinc/59/43/97/292594397.db2.gz HMGZPLJAOCNNBV-CWRNSKLLSA-N 0 3 338.404 2.110 10 5 EEBEHN COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCO1 ZINC000541773322 318108959 /nfs/dbraw/zinc/10/89/59/318108959.db2.gz WHVDYJACCKCJLC-INIZCTEOSA-N 0 3 336.388 2.447 10 5 EEBEHN COc1cc(C[NH2+]CCc2cnc(C3CC3)nc2)c([N+](=O)[O-])cc1[O-] ZINC000339502720 465308820 /nfs/dbraw/zinc/30/88/20/465308820.db2.gz RZTCNTXGPHNKDN-UHFFFAOYSA-N 0 3 344.371 2.309 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000046379890 462675231 /nfs/dbraw/zinc/67/52/31/462675231.db2.gz DRLCRMSBCJFWHE-UHFFFAOYSA-N 0 3 328.372 2.290 10 5 EEBEHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCSCC1 ZINC000089980805 462760530 /nfs/dbraw/zinc/76/05/30/462760530.db2.gz CENHVTUSQZKPRZ-UHFFFAOYSA-N 0 3 337.401 2.332 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(NCCCN2CCC(O)CC2)c1 ZINC000092620543 462965894 /nfs/dbraw/zinc/96/58/94/462965894.db2.gz JGNRQRUWQJYYAS-UHFFFAOYSA-N 0 3 327.356 2.001 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159107414 463268291 /nfs/dbraw/zinc/26/82/91/463268291.db2.gz KYEJYFZKOWQLKJ-VIFPVBQESA-N 0 3 342.193 2.133 10 5 EEBEHN O=[N+]([O-])c1ccccc1OCCN1CCNC[C@@H]1c1cccnc1 ZINC000261711277 463834725 /nfs/dbraw/zinc/83/47/25/463834725.db2.gz KLUOBHYPUXECRK-MRXNPFEDSA-N 0 3 328.372 2.015 10 5 EEBEHN CC[C@H](NC[C@@H](O)COC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000245841527 464517038 /nfs/dbraw/zinc/51/70/38/464517038.db2.gz CPJUSTQJPJBHEW-ZACQAIPSSA-N 0 3 338.404 2.192 10 5 EEBEHN CN(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000175804485 464629932 /nfs/dbraw/zinc/62/99/32/464629932.db2.gz PKQBHNOFURTCRU-AWEZNQCLSA-N 0 3 328.372 2.210 10 5 EEBEHN C[C@]12CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298196660 465329506 /nfs/dbraw/zinc/32/95/06/465329506.db2.gz BZINLTOPGUJNEQ-GLQYFDAESA-N 0 3 342.342 2.312 10 5 EEBEHN Cc1cc(N2CCCN(CCO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359907586 465505958 /nfs/dbraw/zinc/50/59/58/465505958.db2.gz GIBCLYXJIJDBNF-UHFFFAOYSA-N 0 3 347.337 2.426 10 5 EEBEHN C[C@H](NCCc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000337780142 465575785 /nfs/dbraw/zinc/57/57/85/465575785.db2.gz AOSYTAGFLKIVEG-ZDUSSCGKSA-N 0 3 338.371 2.464 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C2CC2)CC1 ZINC000299325776 465700085 /nfs/dbraw/zinc/70/00/85/465700085.db2.gz JOWORGKSZIQAHN-UHFFFAOYSA-N 0 3 332.404 2.012 10 5 EEBEHN COc1cc(CN(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000353330540 465803742 /nfs/dbraw/zinc/80/37/42/465803742.db2.gz QDEWWQBCCUSENK-CQSZACIVSA-N 0 3 335.404 2.281 10 5 EEBEHN O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000371634378 465911673 /nfs/dbraw/zinc/91/16/73/465911673.db2.gz JQTRYZWQFPQULC-KRWDZBQOSA-N 0 3 349.431 2.160 10 5 EEBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600228278 468502363 /nfs/dbraw/zinc/50/23/63/468502363.db2.gz INWFXBKBQYCXSJ-OAHLLOKOSA-N 0 3 349.435 2.013 10 5 EEBEHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@](C)(CO)OC ZINC000594510815 468612340 /nfs/dbraw/zinc/61/23/40/468612340.db2.gz LGTZLGOIKMPGGX-IUODEOHRSA-N 0 3 328.434 2.453 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000597859262 468696203 /nfs/dbraw/zinc/69/62/03/468696203.db2.gz SLAPKBCPDMTYDQ-ZDUSSCGKSA-N 0 3 334.420 2.386 10 5 EEBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592522699 468719877 /nfs/dbraw/zinc/71/98/77/468719877.db2.gz FIFANBAWNCHENX-LTBFUDJGSA-N 0 3 346.431 2.050 10 5 EEBEHN CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597947604 468722072 /nfs/dbraw/zinc/72/20/72/468722072.db2.gz ZTYJUTAFCZSHDA-CQSZACIVSA-N 0 3 332.404 2.335 10 5 EEBEHN COc1ccc(OCCN2CCC(C3(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000593048728 468851414 /nfs/dbraw/zinc/85/14/14/468851414.db2.gz GKBSAVQTWSTTCT-UHFFFAOYSA-N 0 3 336.388 2.219 10 5 EEBEHN C[C@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587224549 469086593 /nfs/dbraw/zinc/08/65/93/469086593.db2.gz IMOMUZHQZXAYRS-LBPRGKRZSA-N 0 3 347.419 2.072 10 5 EEBEHN Cc1cc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596464164 469275429 /nfs/dbraw/zinc/27/54/29/469275429.db2.gz GZXCETKOEDLBLX-VXGBXAGGSA-N 0 3 349.412 2.251 10 5 EEBEHN C[C@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000925329399 692753551 /nfs/dbraw/zinc/75/35/51/692753551.db2.gz ANVVCLHXQXEKQH-SWLSCSKDSA-N 0 3 332.404 2.361 10 5 EEBEHN CN(CCCN(C)C(=O)c1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001484734177 1191498510 /nfs/dbraw/zinc/49/85/10/1191498510.db2.gz BJIAHTNOMHAZGK-UHFFFAOYSA-N 0 3 332.360 2.177 10 5 EEBEHN COCCN1CCC[C@@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031978 1198031125 /nfs/dbraw/zinc/03/11/25/1198031125.db2.gz OQUJEWCYJJIQLA-CHWSQXEVSA-N 0 3 325.384 2.495 10 5 EEBEHN CC(C)(O)CN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000865997232 1198449332 /nfs/dbraw/zinc/44/93/32/1198449332.db2.gz VPLWEDPFNZBYJS-VIFPVBQESA-N 0 3 348.325 2.266 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777798567 1206487536 /nfs/dbraw/zinc/48/75/36/1206487536.db2.gz CHHZXIMDHUTQLE-SNVBAGLBSA-N 0 3 349.416 2.204 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCOCC1 ZINC001273662150 1282638954 /nfs/dbraw/zinc/63/89/54/1282638954.db2.gz VMTNGYOVXNTEPE-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@H]2CN3CCC[C@H]3CO2)ccc2cnccc21 ZINC000858374497 1294099761 /nfs/dbraw/zinc/09/97/61/1294099761.db2.gz NWBZOAVPROFFLB-KBPBESRZSA-N 0 3 328.372 2.418 10 5 EEBEHN Cc1c[nH]cc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001321391234 1333092962 /nfs/dbraw/zinc/09/29/62/1333092962.db2.gz CCTOXBUUPKZOGG-NSCUHMNNSA-N 0 3 328.372 2.307 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCCCN1CCO ZINC000824584002 788247305 /nfs/dbraw/zinc/24/73/05/788247305.db2.gz USGRBMSBCYOCGB-AWEZNQCLSA-N 0 3 327.812 2.185 10 5 EEBEHN COC(=O)C[C@](C)(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC001473731910 1110579345 /nfs/dbraw/zinc/57/93/45/1110579345.db2.gz JRZVLMDOKPLSOO-INIZCTEOSA-N 0 3 332.360 2.293 10 5 EEBEHN COC(=O)C[C@@](C)(NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC001473732222 1110579349 /nfs/dbraw/zinc/57/93/49/1110579349.db2.gz POADMUFOTAEUOY-QGZVFWFLSA-N 0 3 349.387 2.163 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC001568729878 1124744932 /nfs/dbraw/zinc/74/49/32/1124744932.db2.gz QPMYLXVTFIUPBJ-UHFFFAOYSA-N 0 3 333.310 2.485 10 5 EEBEHN CCN(CC)CC(=O)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103492659 204080950 /nfs/dbraw/zinc/08/09/50/204080950.db2.gz YYHPNBWPWRZERE-HNNXBMFYSA-N 0 3 348.447 2.142 10 5 EEBEHN CCN[C@](C)(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440672 204607857 /nfs/dbraw/zinc/60/78/57/204607857.db2.gz UMEXTKYPHCURQT-GFCCVEGCSA-N 0 3 336.175 2.134 10 5 EEBEHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CN1C1CC1 ZINC000177146428 207298379 /nfs/dbraw/zinc/29/83/79/207298379.db2.gz HYVDMAKQAZQCRZ-WDEREUQCSA-N 0 3 328.372 2.431 10 5 EEBEHN C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CCN(C)CC1 ZINC000272850793 256243313 /nfs/dbraw/zinc/24/33/13/256243313.db2.gz HIPMWTUCDQRKCW-NSHDSACASA-N 0 3 328.372 2.456 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000110083780 159356863 /nfs/dbraw/zinc/35/68/63/159356863.db2.gz OCYHXSSTGSGYJP-CQSZACIVSA-N 0 3 336.392 2.136 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)c1cccnc1 ZINC000342284423 161053774 /nfs/dbraw/zinc/05/37/74/161053774.db2.gz QXONUEHWGLNRTG-HNNXBMFYSA-N 0 3 331.372 2.254 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272786301 269020590 /nfs/dbraw/zinc/02/05/90/269020590.db2.gz BGWFFXMQSVFWLT-AWEZNQCLSA-N 0 3 344.415 2.344 10 5 EEBEHN CCOc1cc(N2CCN(CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000280147965 269332809 /nfs/dbraw/zinc/33/28/09/269332809.db2.gz CWYOELWFHAZJOL-UHFFFAOYSA-N 0 3 337.420 2.278 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)c(C(F)(F)F)c1 ZINC000171506998 275035979 /nfs/dbraw/zinc/03/59/79/275035979.db2.gz AJLUOVFDUYOGFS-UHFFFAOYSA-N 0 3 333.310 2.118 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000177028228 276169480 /nfs/dbraw/zinc/16/94/80/276169480.db2.gz ONCJBUXWLFWJKX-CQSZACIVSA-N 0 3 334.420 2.217 10 5 EEBEHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](OCCN2CCCCC2)C1 ZINC000301850963 294902402 /nfs/dbraw/zinc/90/24/02/294902402.db2.gz PESWGUDFVSECKT-INIZCTEOSA-N 0 3 334.420 2.379 10 5 EEBEHN COc1ccc(OCCN2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420995265 314017998 /nfs/dbraw/zinc/01/79/98/314017998.db2.gz OLJYSRWDJVQBBC-CYBMUJFWSA-N 0 3 336.388 2.362 10 5 EEBEHN Cc1ccc([C@H](C)NC[C@H](O)COC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000181827002 323357538 /nfs/dbraw/zinc/35/75/38/323357538.db2.gz HMGZPLJAOCNNBV-BPUTZDHNSA-N 0 3 338.404 2.110 10 5 EEBEHN COc1cc(CN2CCC(N3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000581437358 324254345 /nfs/dbraw/zinc/25/43/45/324254345.db2.gz JKLZQJZHNRSIDO-CQSZACIVSA-N 0 3 349.431 2.289 10 5 EEBEHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351645036 465270125 /nfs/dbraw/zinc/27/01/25/465270125.db2.gz ULMLBTNAJZHMOJ-CQSZACIVSA-N 0 3 343.387 2.102 10 5 EEBEHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000113269206 462582621 /nfs/dbraw/zinc/58/26/21/462582621.db2.gz AYOMCBVWTGVRHT-IUODEOHRSA-N 0 3 343.387 2.313 10 5 EEBEHN Cc1c([C@H](C)N[C@@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000164919122 463636831 /nfs/dbraw/zinc/63/68/31/463636831.db2.gz GSUNOOGNEQYNAP-WMLDXEAASA-N 0 3 349.431 2.437 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000170856462 463723099 /nfs/dbraw/zinc/72/30/99/463723099.db2.gz OROGESKUFNODSF-OAHLLOKOSA-N 0 3 349.434 2.317 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263909919 464236013 /nfs/dbraw/zinc/23/60/13/464236013.db2.gz JVSAEJRZUJRCCI-AWEZNQCLSA-N 0 3 332.404 2.335 10 5 EEBEHN CN(C)CC(C)(C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597089898 468439963 /nfs/dbraw/zinc/43/99/63/468439963.db2.gz GCRMETLXUVYUEI-UHFFFAOYSA-N 0 3 329.788 2.292 10 5 EEBEHN Cc1cc(N2C[C@@H](C)N(CCO)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000419011143 467161600 /nfs/dbraw/zinc/16/16/00/467161600.db2.gz ZFIAETWBBGRIDF-ZIAGYGMSSA-N 0 3 344.415 2.343 10 5 EEBEHN O=[N+]([O-])c1ccc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000449365175 467633872 /nfs/dbraw/zinc/63/38/72/467633872.db2.gz VESKBYZQXPMZDC-ZDUSSCGKSA-N 0 3 332.381 2.256 10 5 EEBEHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000449433987 467644734 /nfs/dbraw/zinc/64/47/34/467644734.db2.gz OSSJYPCGMWDPQM-LKSXCXLBSA-N 0 3 332.400 2.470 10 5 EEBEHN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCC1 ZINC000600472703 468567163 /nfs/dbraw/zinc/56/71/63/468567163.db2.gz OKGOKLQQAWTIQD-CQSZACIVSA-N 0 3 333.388 2.107 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C ZINC000597696044 468641778 /nfs/dbraw/zinc/64/17/78/468641778.db2.gz VAEMIELGRDPAEG-RDJZCZTQSA-N 0 3 347.415 2.147 10 5 EEBEHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1c1cccc(F)c1 ZINC000595226618 468788738 /nfs/dbraw/zinc/78/87/38/468788738.db2.gz WOKYHIVDFQLRDH-ZIAGYGMSSA-N 0 3 332.335 2.019 10 5 EEBEHN CCCN1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598341974 468836563 /nfs/dbraw/zinc/83/65/63/468836563.db2.gz JQTHYVPCWJTEAO-SNVBAGLBSA-N 0 3 327.331 2.016 10 5 EEBEHN COc1cc(CN[C@H](CO)C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595616319 468925264 /nfs/dbraw/zinc/92/52/64/468925264.db2.gz MKZIOBMCYAJTCE-LLVKDONJSA-N 0 3 346.330 2.455 10 5 EEBEHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCCN2CCCCC2)C1 ZINC000610733154 469053610 /nfs/dbraw/zinc/05/36/10/469053610.db2.gz UQWSAFKPNQEXIL-KRWDZBQOSA-N 0 3 347.415 2.312 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(N2CCC(N3CCCOCC3)CC2)c1 ZINC000596269359 469227221 /nfs/dbraw/zinc/22/72/21/469227221.db2.gz RTKTWJORNKWKMX-UHFFFAOYSA-N 0 3 335.404 2.295 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000611761724 469317743 /nfs/dbraw/zinc/31/77/43/469317743.db2.gz SSXUCHGGYDBKMA-AWEZNQCLSA-N 0 3 349.387 2.047 10 5 EEBEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000179710180 533745431 /nfs/dbraw/zinc/74/54/31/533745431.db2.gz QJRCMPRDMRETLA-ZDUSSCGKSA-N 0 3 342.399 2.427 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccc[nH]1 ZINC001267365993 1178855839 /nfs/dbraw/zinc/85/58/39/1178855839.db2.gz UOUMFTHHJYKAHC-FPLPWBNLSA-N 0 3 328.372 2.184 10 5 EEBEHN Cc1nc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001481293280 1180929545 /nfs/dbraw/zinc/92/95/45/1180929545.db2.gz APNPEDFDFFPKCN-UHFFFAOYSA-N 0 3 332.360 2.061 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(Cl)no1 ZINC001493769066 1191299847 /nfs/dbraw/zinc/29/98/47/1191299847.db2.gz INBIPZQCJSIQFD-UHFFFAOYSA-N 0 3 338.751 2.098 10 5 EEBEHN CC(COC(=O)CCCc1nc(-c2ccc(F)cc2)no1)[N+](=O)[O-] ZINC000813108746 1201120159 /nfs/dbraw/zinc/12/01/59/1201120159.db2.gz AFHGMUQCMNIDAZ-JTQLQIEISA-N 0 3 337.307 2.407 10 5 EEBEHN CC(COC(=O)c1ccc(C(F)(F)Br)nc1)[N+](=O)[O-] ZINC000851037646 1277447558 /nfs/dbraw/zinc/44/75/58/1277447558.db2.gz YRKWRCVFAWLTHQ-LURJTMIESA-N 0 3 339.092 2.348 10 5 EEBEHN Cc1cc(CC(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC001264971335 1322821671 /nfs/dbraw/zinc/82/16/71/1322821671.db2.gz PTVJCVYJGCBBPO-UHFFFAOYSA-N 0 3 346.387 2.072 10 5 EEBEHN O=C(Cc1ccoc1)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001565841229 1342567788 /nfs/dbraw/zinc/56/77/88/1342567788.db2.gz YNLVOLODJARNLC-FZNQNYSPSA-N 0 3 343.383 2.415 10 5 EEBEHN CN(CCCN(C)C(=O)c1cnco1)Cc1cccc([N+](=O)[O-])c1 ZINC001570204191 1343032344 /nfs/dbraw/zinc/03/23/44/1343032344.db2.gz IDGZOKVOPJZATE-UHFFFAOYSA-N 0 3 332.360 2.177 10 5 EEBEHN CN1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001597306744 1349922148 /nfs/dbraw/zinc/92/21/48/1349922148.db2.gz STVUXTIBRNZUSJ-MRXNPFEDSA-N 0 3 346.431 2.265 10 5 EEBEHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c(OC)c1 ZINC001660630596 1354504580 /nfs/dbraw/zinc/50/45/80/1354504580.db2.gz DJSLLQZBCPCAGG-GFCCVEGCSA-N 0 3 347.371 2.125 10 5 EEBEHN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](N2CCC2)C1 ZINC000912903000 788482757 /nfs/dbraw/zinc/48/27/57/788482757.db2.gz KBKVBGRCIRAVCQ-AWEZNQCLSA-N 0 3 337.807 2.487 10 5 EEBEHN Cc1cc(CN(C)C)cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001446182126 1092254522 /nfs/dbraw/zinc/25/45/22/1092254522.db2.gz JSENYSVKWQYNBR-UHFFFAOYSA-N 0 3 329.360 2.194 10 5 EEBEHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC(N[C@@H]2CCOC2)C1 ZINC001458669303 1109928823 /nfs/dbraw/zinc/92/88/23/1109928823.db2.gz POGLJWCQZAMXIS-SNVBAGLBSA-N 0 3 331.294 2.181 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)C2CCN(C)CC2)n1 ZINC000191813640 239312635 /nfs/dbraw/zinc/31/26/35/239312635.db2.gz DYCFRDCYCRTRJB-UHFFFAOYSA-N 0 3 337.424 2.004 10 5 EEBEHN C[C@@H]1CCCN(c2ccc(C(=O)N(C)CCN(C)C)cc2[N+](=O)[O-])C1 ZINC000359553907 296400818 /nfs/dbraw/zinc/40/08/18/296400818.db2.gz VBHLTUQLMPNYBD-CQSZACIVSA-N 0 3 348.447 2.465 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000122946327 292277227 /nfs/dbraw/zinc/27/72/27/292277227.db2.gz NCFNGRXITJRBCP-RISCZKNCSA-N 0 3 336.392 2.454 10 5 EEBEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189843764 160150809 /nfs/dbraw/zinc/15/08/09/160150809.db2.gz YKMGTJKFEWGBQZ-ZDUSSCGKSA-N 0 3 343.449 2.220 10 5 EEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245519776 160239329 /nfs/dbraw/zinc/23/93/29/160239329.db2.gz IYGUHCJRHUMMBJ-OLZOCXBDSA-N 0 3 347.371 2.022 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000368320526 166087535 /nfs/dbraw/zinc/08/75/35/166087535.db2.gz YQTPMVVUXWSSJN-VQIMIIECSA-N 0 3 346.475 2.361 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCC1(C(F)(F)F)CC1 ZINC000563618149 319030761 /nfs/dbraw/zinc/03/07/61/319030761.db2.gz MUSHTZOGXKOQDV-SNVBAGLBSA-N 0 3 334.294 2.267 10 5 EEBEHN COc1cc(C(=O)N2CCc3ccccc3[C@H]2CN)ccc1[N+](=O)[O-] ZINC000577872296 320281658 /nfs/dbraw/zinc/28/16/58/320281658.db2.gz CZQWEPLEVROEPR-MRXNPFEDSA-N 0 3 341.367 2.302 10 5 EEBEHN CN(CCC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000579270342 323814076 /nfs/dbraw/zinc/81/40/76/323814076.db2.gz WDXOSETZPIQXGI-UHFFFAOYSA-N 0 3 328.372 2.175 10 5 EEBEHN CNc1nccc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000516582006 448443816 /nfs/dbraw/zinc/44/38/16/448443816.db2.gz LFKVRRRFJVWNEL-CYBMUJFWSA-N 0 3 347.419 2.122 10 5 EEBEHN CC(C)N1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000296092517 465078854 /nfs/dbraw/zinc/07/88/54/465078854.db2.gz YEIUXUNUMODCRU-UHFFFAOYSA-N 0 3 344.419 2.311 10 5 EEBEHN C[C@](CO)(NCCOc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000347738192 465199140 /nfs/dbraw/zinc/19/91/40/465199140.db2.gz OCPZMBUCIZYLON-QGZVFWFLSA-N 0 3 332.356 2.177 10 5 EEBEHN CCNC(=O)C[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000284333578 464153933 /nfs/dbraw/zinc/15/39/33/464153933.db2.gz BSQKDXFFMMHCNB-AWEZNQCLSA-N 0 3 335.404 2.354 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282241160 464748831 /nfs/dbraw/zinc/74/88/31/464748831.db2.gz ZZUYMSKHTSPYOB-CQSZACIVSA-N 0 3 344.419 2.204 10 5 EEBEHN COc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183160590 464811788 /nfs/dbraw/zinc/81/17/88/464811788.db2.gz TVQMMDIKEDLWDD-JRPNMDOOSA-N 0 3 337.376 2.088 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362522874 465802249 /nfs/dbraw/zinc/80/22/49/465802249.db2.gz YMHBOQIMBSQVBH-NSHDSACASA-N 0 3 341.358 2.406 10 5 EEBEHN Cc1ccc(N2CCCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000363172133 466262488 /nfs/dbraw/zinc/26/24/88/466262488.db2.gz IHXQPGKTTBWYGT-UHFFFAOYSA-N 0 3 329.404 2.312 10 5 EEBEHN CCOC(=O)C[C@H]1C[C@@H](OC)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000372284357 466277881 /nfs/dbraw/zinc/27/78/81/466277881.db2.gz ZBZMVYXIFLVXOZ-HZPDHXFCSA-N 0 3 336.388 2.180 10 5 EEBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000363419518 466391866 /nfs/dbraw/zinc/39/18/66/466391866.db2.gz VXNHTYDRCAJZQB-MAUKXSAKSA-N 0 3 332.448 2.368 10 5 EEBEHN Cc1cc(N2C[C@H](C)N(CCO)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000419011140 467161416 /nfs/dbraw/zinc/16/14/16/467161416.db2.gz ZFIAETWBBGRIDF-KBPBESRZSA-N 0 3 344.415 2.343 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000378503417 467324544 /nfs/dbraw/zinc/32/45/44/467324544.db2.gz AQXUPUKXMUNNAE-MAUKXSAKSA-N 0 3 343.383 2.124 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](N3CCCCC3)C2)c1 ZINC000589498284 468156890 /nfs/dbraw/zinc/15/68/90/468156890.db2.gz IUFVPXLXZZRJRQ-MRXNPFEDSA-N 0 3 347.415 2.442 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN4C[C@H](O)C[C@H]4C3)o2)c1 ZINC000594612438 468636752 /nfs/dbraw/zinc/63/67/52/468636752.db2.gz KTUHURCTYQOPBM-JKSUJKDBSA-N 0 3 343.383 2.106 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN[C@H](c2ccccc2)C2(CO)CC=CC2)n1 ZINC000592176763 468646671 /nfs/dbraw/zinc/64/66/71/468646671.db2.gz DHSZTRYCXFBVJK-QGZVFWFLSA-N 0 3 342.399 2.451 10 5 EEBEHN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000598040088 468746183 /nfs/dbraw/zinc/74/61/83/468746183.db2.gz CDTFCCPVTKOAGG-AWEZNQCLSA-N 0 3 335.404 2.306 10 5 EEBEHN CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598042538 468747341 /nfs/dbraw/zinc/74/73/41/468747341.db2.gz PMDMLJPBODDPFL-CQSZACIVSA-N 0 3 334.420 2.340 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1NCc2ccccc21 ZINC000595253016 468793821 /nfs/dbraw/zinc/79/38/21/468793821.db2.gz KVMBLJCTTSRPAS-MRXNPFEDSA-N 0 3 341.367 2.454 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601596253 468931407 /nfs/dbraw/zinc/93/14/07/468931407.db2.gz VZFUWTRJITZGMV-BBRMVZONSA-N 0 3 329.400 2.179 10 5 EEBEHN COc1cc(CN2CCCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611515167 469269538 /nfs/dbraw/zinc/26/95/38/469269538.db2.gz APUATQTYUXNSLV-MRXNPFEDSA-N 0 3 349.431 2.290 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC2(CC2)C1 ZINC000611815498 469329038 /nfs/dbraw/zinc/32/90/38/469329038.db2.gz HQKGIUXLENUUHH-UHFFFAOYSA-N 0 3 333.388 2.344 10 5 EEBEHN Cc1c(I)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114404 675788141 /nfs/dbraw/zinc/78/81/41/675788141.db2.gz RABIXXYMGJFEPN-SSDOTTSWSA-N 0 3 349.124 2.422 10 5 EEBEHN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1SC ZINC000928450685 683206476 /nfs/dbraw/zinc/20/64/76/683206476.db2.gz UTNIJEILHDZGNI-GXSJLCMTSA-N 0 3 339.417 2.148 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cn(CC)cn1 ZINC001268492647 1182991856 /nfs/dbraw/zinc/99/18/56/1182991856.db2.gz IYTJVTYRIILGTN-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccco1 ZINC001483498741 1190513118 /nfs/dbraw/zinc/51/31/18/1190513118.db2.gz JXDZBXXMENKLMM-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN Cc1c[nH]c(C(=O)NCC2(NCc3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001273167311 1197257984 /nfs/dbraw/zinc/25/79/84/1197257984.db2.gz ZAQDFHSBPTVMES-UHFFFAOYSA-N 0 3 343.387 2.069 10 5 EEBEHN CC(COC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)[N+](=O)[O-] ZINC000813106878 1201116298 /nfs/dbraw/zinc/11/62/98/1201116298.db2.gz HGCYMLMACYLASG-SSDOTTSWSA-N 0 3 340.229 2.183 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859208299 1294349493 /nfs/dbraw/zinc/34/94/93/1294349493.db2.gz LRJZBGWUUSWAAR-NSHDSACASA-N 0 3 341.795 2.089 10 5 EEBEHN Cn1nccc1[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000927126063 1297026911 /nfs/dbraw/zinc/02/69/11/1297026911.db2.gz DBWMRUCJWWEDIE-GDBMZVCRSA-N 0 3 330.388 2.374 10 5 EEBEHN CN(CCCNC(=O)c1cncc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001264976359 1322826906 /nfs/dbraw/zinc/82/69/06/1322826906.db2.gz WWZWFGZRWMSNHZ-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN Cc1cnoc1C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001265948633 1323511469 /nfs/dbraw/zinc/51/14/69/1323511469.db2.gz XSOXVSHHPKVDKG-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN CCOC(=O)[C@@H]1[C@@H]2CCN(CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001560140174 1342508114 /nfs/dbraw/zinc/50/81/14/1342508114.db2.gz LKCZQHZOPSZVGQ-IXDOHACOSA-N 0 3 348.399 2.495 10 5 EEBEHN COCCN1CCC(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001642140336 1352728209 /nfs/dbraw/zinc/72/82/09/1352728209.db2.gz MAAKQBYUEMZWPA-UHFFFAOYSA-N 0 3 339.392 2.135 10 5 EEBEHN O=C(/C=C/c1ccc[nH]1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001497573291 1102685322 /nfs/dbraw/zinc/68/53/22/1102685322.db2.gz ODBHRUBVBQFEAZ-CVRORYRCSA-N 0 3 340.383 2.398 10 5 EEBEHN O=C(NCCN(Cc1ccc(Cl)s1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001493370751 1108007545 /nfs/dbraw/zinc/00/75/45/1108007545.db2.gz NKXAJLBMRFCYEW-VXGBXAGGSA-N 0 3 343.836 2.147 10 5 EEBEHN CCCCC(=O)N[C@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001568100964 1124303218 /nfs/dbraw/zinc/30/32/18/1124303218.db2.gz HAEDCZBIHYMVPL-JOCQHMNTSA-N 0 3 337.424 2.036 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1ccns1 ZINC001569208248 1125164959 /nfs/dbraw/zinc/16/49/59/1125164959.db2.gz ZGUMDIDLQGRVHJ-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN C[C@H]1C[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000172765463 291125644 /nfs/dbraw/zinc/12/56/44/291125644.db2.gz XGMPXDNSKCKGKI-WCQYABFASA-N 0 3 332.404 2.398 10 5 EEBEHN COc1cc(CN2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000245571867 243132183 /nfs/dbraw/zinc/13/21/83/243132183.db2.gz YDJQLPCCIGFFDQ-AWEZNQCLSA-N 0 3 335.404 2.282 10 5 EEBEHN O=[N+]([O-])c1cc(Br)cnc1N1CCN2CCC[C@@H]2C1 ZINC000094466486 285083848 /nfs/dbraw/zinc/08/38/48/285083848.db2.gz KABDBJRQAPNLNH-SNVBAGLBSA-N 0 3 327.182 2.037 10 5 EEBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000195519189 140882220 /nfs/dbraw/zinc/88/22/20/140882220.db2.gz WXEKACBUOUHCSZ-AWEZNQCLSA-N 0 3 348.447 2.046 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N2CCCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000172542686 152091621 /nfs/dbraw/zinc/09/16/21/152091621.db2.gz PLAFQKRSWNNUGF-AWEZNQCLSA-N 0 3 346.431 2.400 10 5 EEBEHN CCCN(CCN(C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342437347 161065524 /nfs/dbraw/zinc/06/55/24/161065524.db2.gz JDNLDBRBLQDIHU-UHFFFAOYSA-N 0 3 329.347 2.216 10 5 EEBEHN O=C(CCN[C@H](CO)c1ccsc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352020357 162031914 /nfs/dbraw/zinc/03/19/14/162031914.db2.gz HPZGGEYLBGQPOB-CQSZACIVSA-N 0 3 335.385 2.308 10 5 EEBEHN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000370123125 166398720 /nfs/dbraw/zinc/39/87/20/166398720.db2.gz TVNBKBHOVHOWIE-UHFFFAOYSA-N 0 3 341.770 2.236 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000123867165 222344499 /nfs/dbraw/zinc/34/44/99/222344499.db2.gz WZBFSRWDPFOIMM-KBPBESRZSA-N 0 3 334.420 2.338 10 5 EEBEHN O=C1C[C@H](N2C[C@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000175924208 275020616 /nfs/dbraw/zinc/02/06/16/275020616.db2.gz BNRXEXPUSIVGPA-IOASZLSFSA-N 0 3 343.383 2.349 10 5 EEBEHN N[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000418430961 313811459 /nfs/dbraw/zinc/81/14/59/313811459.db2.gz QBNPYSRMXADBEM-KRWDZBQOSA-N 0 3 340.383 2.363 10 5 EEBEHN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCN1Cc1ccccc1 ZINC000354811856 465167170 /nfs/dbraw/zinc/16/71/70/465167170.db2.gz FEWAUOIGVRQKCM-QGZVFWFLSA-N 0 3 343.387 2.102 10 5 EEBEHN O=C(CCN1CCC[C@H]2COCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337248568 465266931 /nfs/dbraw/zinc/26/69/31/465266931.db2.gz KYRILDNOFLIUFG-DZGCQCFKSA-N 0 3 333.388 2.424 10 5 EEBEHN COCCN(C)C(=O)[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000070039374 463370356 /nfs/dbraw/zinc/37/03/56/463370356.db2.gz DLKKNTKHRDYJKH-HOCLYGCPSA-N 0 3 349.431 2.473 10 5 EEBEHN CCNC(=O)C[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000284333581 464153082 /nfs/dbraw/zinc/15/30/82/464153082.db2.gz BSQKDXFFMMHCNB-CQSZACIVSA-N 0 3 335.404 2.354 10 5 EEBEHN COc1ccc(OCCN2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000173653847 464302561 /nfs/dbraw/zinc/30/25/61/464302561.db2.gz WDBBMTWLTNVDTI-ZDUSSCGKSA-N 0 3 346.387 2.205 10 5 EEBEHN CN1CCN([C@H]2CCCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174890369 464464861 /nfs/dbraw/zinc/46/48/61/464464861.db2.gz ZISKDXFXRQNIPU-SFHVURJKSA-N 0 3 332.448 2.197 10 5 EEBEHN O=C(c1cc(N2CCN3CCC[C@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000246062665 464538992 /nfs/dbraw/zinc/53/89/92/464538992.db2.gz GOTYQZRROUXHCL-HNNXBMFYSA-N 0 3 344.415 2.115 10 5 EEBEHN COCCCN(C)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000182863613 464745333 /nfs/dbraw/zinc/74/53/33/464745333.db2.gz FLJGTOFTALMHQL-BUHFOSPRSA-N 0 3 335.404 2.083 10 5 EEBEHN Cc1c(OCC(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000339639957 465408141 /nfs/dbraw/zinc/40/81/41/465408141.db2.gz UUOOWOOSBCQQRT-UHFFFAOYSA-N 0 3 333.388 2.025 10 5 EEBEHN CN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000330848061 465828455 /nfs/dbraw/zinc/82/84/55/465828455.db2.gz CXEUDMCNQREADF-UHFFFAOYSA-N 0 3 341.433 2.138 10 5 EEBEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341065822 466556477 /nfs/dbraw/zinc/55/64/77/466556477.db2.gz VDTNAHOGGCSLAG-VXGBXAGGSA-N 0 3 345.403 2.464 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CC(N3CCCCC3)C2)c1 ZINC000365409469 466809421 /nfs/dbraw/zinc/80/94/21/466809421.db2.gz IWDQZQXARDELKX-UHFFFAOYSA-N 0 3 333.388 2.350 10 5 EEBEHN CCOC(=O)CC1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000434621701 467412301 /nfs/dbraw/zinc/41/23/01/467412301.db2.gz WGRKUZKYORHVOI-UHFFFAOYSA-N 0 3 349.387 2.389 10 5 EEBEHN CCCc1n[nH]c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000600470127 468567720 /nfs/dbraw/zinc/56/77/20/468567720.db2.gz GBXCORCXEOTUBS-LBPRGKRZSA-N 0 3 335.408 2.017 10 5 EEBEHN CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(CC)C1 ZINC000598043236 468747368 /nfs/dbraw/zinc/74/73/68/468747368.db2.gz SDWOAXZDTFSLDC-INIZCTEOSA-N 0 3 344.415 2.492 10 5 EEBEHN CC(C)OCCN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601123439 468750564 /nfs/dbraw/zinc/75/05/64/468750564.db2.gz DPBLQEBZJDNJPJ-UHFFFAOYSA-N 0 3 326.372 2.430 10 5 EEBEHN COCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000595066487 468752476 /nfs/dbraw/zinc/75/24/76/468752476.db2.gz HUOBGEPBNOHCGN-TZMCWYRMSA-N 0 3 345.403 2.360 10 5 EEBEHN COCCCN(C)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601234996 468792139 /nfs/dbraw/zinc/79/21/39/468792139.db2.gz KQAOIGZYFVYQPD-UHFFFAOYSA-N 0 3 349.431 2.101 10 5 EEBEHN O=C(CNC1(CCO)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595509085 468882588 /nfs/dbraw/zinc/88/25/88/468882588.db2.gz OTWXDQJCKSFIQA-UHFFFAOYSA-N 0 3 341.795 2.472 10 5 EEBEHN CC[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)N(CC)CC ZINC000601782690 469022863 /nfs/dbraw/zinc/02/28/63/469022863.db2.gz ZVJUEPNKJRSGMB-WBVHZDCISA-N 0 3 337.420 2.039 10 5 EEBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@H](O)C3)cc2)cn1 ZINC000596424208 485612664 /nfs/dbraw/zinc/61/26/64/485612664.db2.gz RFQWMTQOIMPGPZ-INIZCTEOSA-N 0 3 328.372 2.169 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2CN(C)C)n1 ZINC000191616613 529154623 /nfs/dbraw/zinc/15/46/23/529154623.db2.gz JHKGDUGSHHCNJW-UHFFFAOYSA-N 0 3 331.376 2.434 10 5 EEBEHN Cc1nn(CN(C)[C@H]2CCN(C3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292169 577681300 /nfs/dbraw/zinc/68/13/00/577681300.db2.gz PHAQVLHDAXZZMY-HNNXBMFYSA-N 0 3 329.404 2.379 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cscn1 ZINC001268438181 1182611817 /nfs/dbraw/zinc/61/18/17/1182611817.db2.gz FHICSXZZDGLVGO-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1nccs1 ZINC001483499732 1190514179 /nfs/dbraw/zinc/51/41/79/1190514179.db2.gz WOQTYFFYLQGGMP-UHFFFAOYSA-N 0 3 340.430 2.365 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1CNc1cc2n(n1)CCN(C)C2 ZINC000865844320 1198399979 /nfs/dbraw/zinc/39/99/79/1198399979.db2.gz IXSDPWABTIWJML-UHFFFAOYSA-N 0 3 331.376 2.248 10 5 EEBEHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000874827782 1199022536 /nfs/dbraw/zinc/02/25/36/1199022536.db2.gz UDCHRVBDJIGCEV-VVLHAWIVSA-N 0 3 329.400 2.393 10 5 EEBEHN CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000871152058 1201071499 /nfs/dbraw/zinc/07/14/99/1201071499.db2.gz MATMRYFMUQNJLM-UHFFFAOYSA-N 0 3 331.376 2.027 10 5 EEBEHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000852321448 1292092153 /nfs/dbraw/zinc/09/21/53/1292092153.db2.gz NTKDVYPGOHKIFF-CQSZACIVSA-N 0 3 339.348 2.034 10 5 EEBEHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000855166917 1293097745 /nfs/dbraw/zinc/09/77/45/1293097745.db2.gz SMERBBWGMPBYHJ-ZDUSSCGKSA-N 0 3 334.420 2.263 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1([C@H]2CCCO2)CCC1 ZINC001655886854 1354188815 /nfs/dbraw/zinc/18/88/15/1354188815.db2.gz UFSKJPZZSKICAO-OAHLLOKOSA-N 0 3 349.387 2.233 10 5 EEBEHN C[NH+](C)[C@@H](CNC(=O)c1[n-]nc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001135625372 784118947 /nfs/dbraw/zinc/11/89/47/784118947.db2.gz ZYXPFXJQHJDZLB-ZETCQYMHSA-N 0 3 343.796 2.066 10 5 EEBEHN O=C(NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccn[nH]1 ZINC001566581687 1125764715 /nfs/dbraw/zinc/76/47/15/1125764715.db2.gz UBCNLPRTZRQUHF-UHFFFAOYSA-N 0 3 343.387 2.102 10 5 EEBEHN CC(C)Oc1cc(C(=O)N[C@@H]2CN(C)CC2(C)C)ccc1[N+](=O)[O-] ZINC001456172450 1109109742 /nfs/dbraw/zinc/10/97/42/1109109742.db2.gz FCJOVNJKODQDHB-OAHLLOKOSA-N 0 3 335.404 2.452 10 5 EEBEHN CC(C)C[C@H](CN(C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068224288 215291573 /nfs/dbraw/zinc/29/15/73/215291573.db2.gz IQGUMAWFRLIWFA-CQSZACIVSA-N 0 3 337.420 2.456 10 5 EEBEHN CCN1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117792394 221089664 /nfs/dbraw/zinc/08/96/64/221089664.db2.gz GTYOATUQPYBNOY-LBPRGKRZSA-N 0 3 325.796 2.391 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246814594 160295732 /nfs/dbraw/zinc/29/57/32/160295732.db2.gz DIRZJLILMSZBLS-OCCSQVGLSA-N 0 3 335.404 2.452 10 5 EEBEHN CC(C)[C@@](C)(CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352915332 162344703 /nfs/dbraw/zinc/34/47/03/162344703.db2.gz QIARFRYAJNGXAV-CQSZACIVSA-N 0 3 329.784 2.183 10 5 EEBEHN CCN1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359036531 164043270 /nfs/dbraw/zinc/04/32/70/164043270.db2.gz IIMVZRLBPGJZHO-NSHDSACASA-N 0 3 343.330 2.410 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@@H]2CCCCN2CCO)ccc2ncccc21 ZINC000574759028 320054532 /nfs/dbraw/zinc/05/45/32/320054532.db2.gz MQNGNNMIEBZLLV-ZDUSSCGKSA-N 0 3 330.388 2.402 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590767525 468333848 /nfs/dbraw/zinc/33/38/48/468333848.db2.gz OVGDAHQYADHSND-ZANVPECISA-N 0 3 343.305 2.390 10 5 EEBEHN CN(C[C@H]1CCN(C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000071193061 463411775 /nfs/dbraw/zinc/41/17/75/463411775.db2.gz QMBSMSDTJDRYRP-VIFPVBQESA-N 0 3 329.198 2.140 10 5 EEBEHN COC(=O)C1=NOC2(C1)CCN([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000185095747 463751416 /nfs/dbraw/zinc/75/14/16/463751416.db2.gz DRSBRCAGTNJAHH-GFCCVEGCSA-N 0 3 347.371 2.440 10 5 EEBEHN C[C@@H]1C[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCN1C ZINC000597103981 468444647 /nfs/dbraw/zinc/44/46/47/468444647.db2.gz OPEOSWQUBVFERR-PSASIEDQSA-N 0 3 341.799 2.435 10 5 EEBEHN CNC(=O)C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000361645957 466174236 /nfs/dbraw/zinc/17/42/36/466174236.db2.gz GDMKOSBJIZHERQ-QGZVFWFLSA-N 0 3 343.383 2.441 10 5 EEBEHN O=[N+]([O-])c1cnccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000340897405 466417587 /nfs/dbraw/zinc/41/75/87/466417587.db2.gz HAQKEAIPWAIQIF-MRXNPFEDSA-N 0 3 342.399 2.115 10 5 EEBEHN CN(CCCNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000532143447 468100723 /nfs/dbraw/zinc/10/07/23/468100723.db2.gz GSRMUKWOGCLRQC-UHFFFAOYSA-N 0 3 328.372 2.242 10 5 EEBEHN COc1c(C)cccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594576825 468625058 /nfs/dbraw/zinc/62/50/58/468625058.db2.gz AVFCHVVYMZDYFN-OAHLLOKOSA-N 0 3 346.383 2.441 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCSCC2)cc1 ZINC000595032003 468745709 /nfs/dbraw/zinc/74/57/09/468745709.db2.gz KUOPACDFQHMVEA-GFCCVEGCSA-N 0 3 344.458 2.244 10 5 EEBEHN CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598040125 468746242 /nfs/dbraw/zinc/74/62/42/468746242.db2.gz CUCAILNRJOHQSZ-CQSZACIVSA-N 0 3 335.404 2.089 10 5 EEBEHN O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000601131422 468754924 /nfs/dbraw/zinc/75/49/24/468754924.db2.gz KBEOZMAISLEHBL-CQSZACIVSA-N 0 3 338.383 2.210 10 5 EEBEHN COc1ccc(CNC(=O)C[C@H]2NCc3ccccc32)cc1[N+](=O)[O-] ZINC000595248433 468792992 /nfs/dbraw/zinc/79/29/92/468792992.db2.gz HHHAUHVWUQCHLL-OAHLLOKOSA-N 0 3 341.367 2.454 10 5 EEBEHN C[C@H](NC(=O)Nc1cnn(CCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000610478426 468980040 /nfs/dbraw/zinc/98/00/40/468980040.db2.gz XVADPNZYBRJIIU-LBPRGKRZSA-N 0 3 346.391 2.236 10 5 EEBEHN CN1CCC(n2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000601771982 469016397 /nfs/dbraw/zinc/01/63/97/469016397.db2.gz HFGITUGSDSIMPL-UHFFFAOYSA-N 0 3 347.350 2.449 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)[C@H]3CCCO3)o2)c1 ZINC000598989859 469078945 /nfs/dbraw/zinc/07/89/45/469078945.db2.gz DIJVLWCOYOUVMH-DOTOQJQBSA-N 0 3 332.356 2.484 10 5 EEBEHN C[C@H](O)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066334 469137062 /nfs/dbraw/zinc/13/70/62/469137062.db2.gz CTRWEMOARWUJGJ-DHSIGJKJSA-N 0 3 346.383 2.046 10 5 EEBEHN Cc1c(COC(=O)C2CCCN(C3CC3)C2=O)cccc1[N+](=O)[O-] ZINC000924062081 678341427 /nfs/dbraw/zinc/34/14/27/678341427.db2.gz KJEOWNFUSOTAAB-AWEZNQCLSA-N 0 3 332.356 2.347 10 5 EEBEHN CN1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000905087457 694519829 /nfs/dbraw/zinc/51/98/29/694519829.db2.gz NQRVRXKPMSKQJE-UHFFFAOYSA-N 0 3 325.796 2.345 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)COC1CCCC1 ZINC001266648457 1177051317 /nfs/dbraw/zinc/05/13/17/1177051317.db2.gz AJVSDKHPDVJIKF-UHFFFAOYSA-N 0 3 335.404 2.102 10 5 EEBEHN Cc1ocnc1C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484627076 1191447832 /nfs/dbraw/zinc/44/78/32/1191447832.db2.gz KFGGBGWGQASVBE-UHFFFAOYSA-N 0 3 344.371 2.334 10 5 EEBEHN C[C@@H](NC[C@H]1CCCCN1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075096 1198040674 /nfs/dbraw/zinc/04/06/74/1198040674.db2.gz OAJNPYCPCGGOJD-CHWSQXEVSA-N 0 3 325.384 2.231 10 5 EEBEHN CCN(CC)CCS(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810044378 1199219431 /nfs/dbraw/zinc/21/94/31/1199219431.db2.gz WLVWVFHZQRJCLQ-UHFFFAOYSA-N 0 3 336.797 2.299 10 5 EEBEHN CC(COC(=O)CCSc1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813099907 1201095651 /nfs/dbraw/zinc/09/56/51/1201095651.db2.gz GYJGMWZLNKPTBG-JTQLQIEISA-N 0 3 327.358 2.148 10 5 EEBEHN CC(COC(=O)[C@H](C)Oc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813104346 1201097847 /nfs/dbraw/zinc/09/78/47/1201097847.db2.gz YUKBYWXWKKNUAT-BDAKNGLRSA-N 0 3 332.150 2.425 10 5 EEBEHN CC(COC(=O)CCCC(=O)c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813108102 1201118668 /nfs/dbraw/zinc/11/86/68/1201118668.db2.gz AGIUYIOHNHUHNI-NSHDSACASA-N 0 3 337.328 2.019 10 5 EEBEHN CC(COC(=O)[C@H](C)Oc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110008 1201120184 /nfs/dbraw/zinc/12/01/84/1201120184.db2.gz YLPXINOJLNZLSN-IUCAKERBSA-N 0 3 332.150 2.425 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000931261598 1206619867 /nfs/dbraw/zinc/61/98/67/1206619867.db2.gz CJPWAIYIALNLBH-BXUZGUMPSA-N 0 3 334.376 2.161 10 5 EEBEHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000047142636 1208398975 /nfs/dbraw/zinc/39/89/75/1208398975.db2.gz AYSMPSLLSCJOHL-NSHDSACASA-N 0 3 336.348 2.107 10 5 EEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CCCOCC2)CC1 ZINC000853688255 1292438759 /nfs/dbraw/zinc/43/87/59/1292438759.db2.gz KMUZYMBDEWROHL-UHFFFAOYSA-N 0 3 347.415 2.489 10 5 EEBEHN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001118914536 1308958753 /nfs/dbraw/zinc/95/87/53/1308958753.db2.gz AMUJOQYBJYEWKP-CVEARBPZSA-N 0 3 347.415 2.011 10 5 EEBEHN CCCc1[nH]nc(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001123943152 1310769648 /nfs/dbraw/zinc/76/96/48/1310769648.db2.gz LXQWWQCBYKVTHZ-GFCCVEGCSA-N 0 3 349.435 2.359 10 5 EEBEHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001161000182 1320349838 /nfs/dbraw/zinc/34/98/38/1320349838.db2.gz GULLKNMNVJZACF-LLVKDONJSA-N 0 3 336.348 2.059 10 5 EEBEHN O=C(CCN1CC[C@H](c2cnccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001620617849 1344554424 /nfs/dbraw/zinc/55/44/24/1344554424.db2.gz QWZGBZDFRAQHKX-ZDUSSCGKSA-N 0 3 341.371 2.203 10 5 EEBEHN N[C@H]1CCCc2cn(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC000818618896 785304061 /nfs/dbraw/zinc/30/40/61/785304061.db2.gz USVZHQZVSOEHKN-LBPRGKRZSA-N 0 3 349.778 2.420 10 5 EEBEHN C[C@@]1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CN2CCC1CC2 ZINC000912377178 788150236 /nfs/dbraw/zinc/15/02/36/788150236.db2.gz CUBCSKQLYIPHGL-QGZVFWFLSA-N 0 3 328.372 2.290 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CCOCC1 ZINC001497478421 1102553028 /nfs/dbraw/zinc/55/30/28/1102553028.db2.gz PLRLQKWSLCVNBJ-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN Cc1c(CN2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cccc1[N+](=O)[O-] ZINC001473602460 1110577528 /nfs/dbraw/zinc/57/75/28/1110577528.db2.gz RFYYDQQLOZBTTE-LBPRGKRZSA-N 0 3 330.344 2.094 10 5 EEBEHN NC(=O)c1ccc(CN[C@@H]2CCOC23CCCCC3)c([N+](=O)[O-])c1 ZINC001473856726 1110582213 /nfs/dbraw/zinc/58/22/13/1110582213.db2.gz QRHGNZVAQUHEFZ-OAHLLOKOSA-N 0 3 333.388 2.275 10 5 EEBEHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000419009377 239397245 /nfs/dbraw/zinc/39/72/45/239397245.db2.gz VXPFMMUKZQTKEU-QWHCGFSZSA-N 0 3 330.388 2.034 10 5 EEBEHN COc1ccc(OCCN2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451902463 243303249 /nfs/dbraw/zinc/30/32/49/243303249.db2.gz OMFAWXWECXVFMT-KRWDZBQOSA-N 0 3 336.388 2.485 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352430800 162133130 /nfs/dbraw/zinc/13/31/30/162133130.db2.gz IWZRVRZDOGLFBX-TXEJJXNPSA-N 0 3 349.387 2.316 10 5 EEBEHN COc1cnccc1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000355646259 163258269 /nfs/dbraw/zinc/25/82/69/163258269.db2.gz FNOXNOKFETYSNC-UHFFFAOYSA-N 0 3 328.372 2.321 10 5 EEBEHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000360239452 164264310 /nfs/dbraw/zinc/26/43/10/164264310.db2.gz BMHLGUIKOWKBDA-UHFFFAOYSA-N 0 3 329.360 2.028 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCC[C@@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000283793587 269554929 /nfs/dbraw/zinc/55/49/29/269554929.db2.gz SKSHUNNVBSSXGT-OCCSQVGLSA-N 0 3 348.403 2.005 10 5 EEBEHN COCCN1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000267505717 274027289 /nfs/dbraw/zinc/02/72/89/274027289.db2.gz NMEOLQLLKHBMMN-UHFFFAOYSA-N 0 3 330.388 2.302 10 5 EEBEHN C[C@@H]1COCC[C@H]1NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277456411 274294427 /nfs/dbraw/zinc/29/44/27/274294427.db2.gz MFJFNBNRNLIADP-BXKDBHETSA-N 0 3 327.768 2.201 10 5 EEBEHN C[C@H]1CN(CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000278600492 274381066 /nfs/dbraw/zinc/38/10/66/274381066.db2.gz ZMLKNYHOYGNYOG-LBPRGKRZSA-N 0 3 333.392 2.384 10 5 EEBEHN C[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297740635 294328867 /nfs/dbraw/zinc/32/88/67/294328867.db2.gz ULMJFIUOKCRCIY-XJKSGUPXSA-N 0 3 330.388 2.312 10 5 EEBEHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H](COC)Cc1ccccc1 ZINC000350459328 312324244 /nfs/dbraw/zinc/32/42/44/312324244.db2.gz QILNAIVSQPNKFS-INIZCTEOSA-N 0 3 332.404 2.371 10 5 EEBEHN COCCNCCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415708599 313170109 /nfs/dbraw/zinc/17/01/09/313170109.db2.gz XJZLEFJVDBMMBZ-UHFFFAOYSA-N 0 3 338.408 2.250 10 5 EEBEHN CC(C)c1ccc(C(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000440308521 315122933 /nfs/dbraw/zinc/12/29/33/315122933.db2.gz YLWIWTBDEUCHMK-UHFFFAOYSA-N 0 3 328.372 2.377 10 5 EEBEHN CCN1CCN([C@@H](C)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000563807478 319045132 /nfs/dbraw/zinc/04/51/32/319045132.db2.gz ZLAIZRXFYSVTDE-AWEZNQCLSA-N 0 3 347.463 2.307 10 5 EEBEHN CN(C)CCn1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000156031971 462970639 /nfs/dbraw/zinc/97/06/39/462970639.db2.gz HVQSADROQBZXEQ-UHFFFAOYSA-N 0 3 342.359 2.087 10 5 EEBEHN Cc1ccc(N2CCC[C@@H](CN3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000080611647 463336779 /nfs/dbraw/zinc/33/67/79/463336779.db2.gz ZLOIGVQJAAUXMX-INIZCTEOSA-N 0 3 332.448 2.367 10 5 EEBEHN CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000105837297 463476725 /nfs/dbraw/zinc/47/67/25/463476725.db2.gz NQVKREGTCNZQKX-OAHLLOKOSA-N 0 3 337.420 2.016 10 5 EEBEHN O=[N+]([O-])c1cc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)cs1 ZINC000282965905 463717971 /nfs/dbraw/zinc/71/79/71/463717971.db2.gz YSDJOYUPUNQDPO-JSGCOSHPSA-N 0 3 326.418 2.314 10 5 EEBEHN CCN1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000292717447 464318777 /nfs/dbraw/zinc/31/87/77/464318777.db2.gz HFBCJIYUQAORCR-ZWKOTPCHSA-N 0 3 342.399 2.442 10 5 EEBEHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000183093941 464796095 /nfs/dbraw/zinc/79/60/95/464796095.db2.gz GIRHUKWODRSHBB-RNCFNFMXSA-N 0 3 327.768 2.344 10 5 EEBEHN COc1ccc(OCCN2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055036 466098192 /nfs/dbraw/zinc/09/81/92/466098192.db2.gz MXNOAUZJRKYKSG-QGZVFWFLSA-N 0 3 336.388 2.485 10 5 EEBEHN O=C(CCN1CCC[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411314302 466804590 /nfs/dbraw/zinc/80/45/90/466804590.db2.gz DQDZBEOVWSHLLP-CZUORRHYSA-N 0 3 333.388 2.424 10 5 EEBEHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594451984 468593562 /nfs/dbraw/zinc/59/35/62/468593562.db2.gz VTWMBRIURNNNCT-XVKPBYJWSA-N 0 3 337.323 2.081 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C ZINC000597696043 468641869 /nfs/dbraw/zinc/64/18/69/468641869.db2.gz VAEMIELGRDPAEG-NVXWUHKLSA-N 0 3 347.415 2.147 10 5 EEBEHN Cn1nc2c(c1CNCCOc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000601106033 468743968 /nfs/dbraw/zinc/74/39/68/468743968.db2.gz KOFXANHDIXHERI-UHFFFAOYSA-N 0 3 330.388 2.376 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCN(CC2CC2)C1 ZINC000601116297 468747806 /nfs/dbraw/zinc/74/78/06/468747806.db2.gz PYYZWUDWDPVCQN-VIFPVBQESA-N 0 3 333.314 2.243 10 5 EEBEHN CCOC(=O)c1cnc2c(cccc2[N+](=O)[O-])c1N(C)CCN(C)C ZINC000601123376 468750963 /nfs/dbraw/zinc/75/09/63/468750963.db2.gz AZURZEXJHNFWNM-UHFFFAOYSA-N 0 3 346.387 2.318 10 5 EEBEHN COC[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595614088 468923938 /nfs/dbraw/zinc/92/39/38/468923938.db2.gz FFDLMAXNAFVMOE-CQSZACIVSA-N 0 3 342.367 2.274 10 5 EEBEHN COc1ccc(OCCN2CCC[C@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595749980 468987107 /nfs/dbraw/zinc/98/71/07/468987107.db2.gz JDLXFLQCTKSRKV-QGZVFWFLSA-N 0 3 336.388 2.219 10 5 EEBEHN CC(C)NC(=O)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595848434 469042028 /nfs/dbraw/zinc/04/20/28/469042028.db2.gz AUWDSNCIBUYESU-CQSZACIVSA-N 0 3 335.404 2.210 10 5 EEBEHN O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1CCN1C1CCCC1 ZINC000598994567 469080475 /nfs/dbraw/zinc/08/04/75/469080475.db2.gz BCTHAYGAWZPQRM-MRXNPFEDSA-N 0 3 346.431 2.453 10 5 EEBEHN CN1CCOC[C@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000599003303 469084314 /nfs/dbraw/zinc/08/43/14/469084314.db2.gz HXTJWQQAZUMAHS-CYBMUJFWSA-N 0 3 331.372 2.275 10 5 EEBEHN O=C(CCN1CCO[C@@H](C(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000601978273 469124729 /nfs/dbraw/zinc/12/47/29/469124729.db2.gz XAJXJCXDHQGOTA-CYBMUJFWSA-N 0 3 343.330 2.279 10 5 EEBEHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCOC4(CNC4)C3)o2)c1 ZINC000596107080 469157631 /nfs/dbraw/zinc/15/76/31/469157631.db2.gz PVXQTSTXVNLMHS-UHFFFAOYSA-N 0 3 329.356 2.029 10 5 EEBEHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(N2CCCOCC2)CC1 ZINC000596268333 469227670 /nfs/dbraw/zinc/22/76/70/469227670.db2.gz JPYBOGQPYLSVBY-UHFFFAOYSA-N 0 3 347.415 2.489 10 5 EEBEHN CN(C)CCn1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000726942403 576354360 /nfs/dbraw/zinc/35/43/60/576354360.db2.gz DFNSUAKXBHNFHT-UHFFFAOYSA-N 0 3 337.767 2.259 10 5 EEBEHN CC(COC(=O)c1cccc(I)c1)[N+](=O)[O-] ZINC000813105184 675682540 /nfs/dbraw/zinc/68/25/40/675682540.db2.gz KDVNZYHPYJCLJL-ZETCQYMHSA-N 0 3 335.097 2.113 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000928448805 683197061 /nfs/dbraw/zinc/19/70/61/683197061.db2.gz OTHRJRAXXRDTFE-QPUJVOFHSA-N 0 3 342.193 2.180 10 5 EEBEHN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1SC ZINC000928450688 683206346 /nfs/dbraw/zinc/20/63/46/683206346.db2.gz UTNIJEILHDZGNI-ONGXEEELSA-N 0 3 339.417 2.148 10 5 EEBEHN Cc1cnc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001266785755 1177425705 /nfs/dbraw/zinc/42/57/05/1177425705.db2.gz XTXFXEDJDKMZHA-UHFFFAOYSA-N 0 3 342.399 2.468 10 5 EEBEHN COc1ccccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001267011110 1178075684 /nfs/dbraw/zinc/07/56/84/1178075684.db2.gz ZEMRPEOYVYTJHA-UHFFFAOYSA-N 0 3 343.383 2.465 10 5 EEBEHN CCCOc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107663 1201118728 /nfs/dbraw/zinc/11/87/28/1201118728.db2.gz PYQDYPHSANVYLV-LBPRGKRZSA-N 0 3 333.344 2.483 10 5 EEBEHN CC(COC(=O)CCCc1nc(-c2cccs2)no1)[N+](=O)[O-] ZINC000813114986 1201124589 /nfs/dbraw/zinc/12/45/89/1201124589.db2.gz ZLBFTCJXDCGKCR-SECBINFHSA-N 0 3 325.346 2.329 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1C ZINC000928450361 1206386503 /nfs/dbraw/zinc/38/65/03/1206386503.db2.gz IANPJWABISQSLE-SWLSCSKDSA-N 0 3 332.404 2.017 10 5 EEBEHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCOC2(CCN(C)CC2)C1 ZINC000826767908 1248067888 /nfs/dbraw/zinc/06/78/88/1248067888.db2.gz VWMQOMGQQWFBQC-UHFFFAOYSA-N 0 3 333.388 2.098 10 5 EEBEHN COc1c(C)[nH]cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1=O ZINC000931323702 1297139208 /nfs/dbraw/zinc/13/92/08/1297139208.db2.gz WPRHSXSKOUDAEB-UHFFFAOYSA-N 0 3 331.372 2.275 10 5 EEBEHN O=C(CC1CC1)NC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001281208308 1324876567 /nfs/dbraw/zinc/87/65/67/1324876567.db2.gz OAGLQYNYZFLIHJ-UHFFFAOYSA-N 0 3 347.415 2.150 10 5 EEBEHN C/C=C(\C)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001569728232 1342934831 /nfs/dbraw/zinc/93/48/31/1342934831.db2.gz OUMSCYMHMWQYSS-LZWSPWQCSA-N 0 3 347.415 2.316 10 5 EEBEHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccnn1CCN(C)C ZINC001595762098 1349894631 /nfs/dbraw/zinc/89/46/31/1349894631.db2.gz ZQTWBIUMLSYFSQ-UHFFFAOYSA-N 0 3 335.339 2.053 10 5 EEBEHN O=C(CCN1CC[C@@H](c2ncccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001660357175 1354447904 /nfs/dbraw/zinc/44/79/04/1354447904.db2.gz HAVSGTLHTWDQTM-CYBMUJFWSA-N 0 3 341.371 2.203 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCOC12CCCC2 ZINC001660537733 1354484809 /nfs/dbraw/zinc/48/48/09/1354484809.db2.gz ZPWFQUGUEFIYCF-HNNXBMFYSA-N 0 3 349.387 2.233 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc[nH]1 ZINC001699552196 1405389805 /nfs/dbraw/zinc/38/98/05/1405389805.db2.gz WUKBADCWNLFVHQ-UHFFFAOYSA-N 0 3 330.388 2.104 10 5 EEBEHN CCCN1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911478930 787497907 /nfs/dbraw/zinc/49/79/07/787497907.db2.gz VWINBBZAQIGSCO-ZDUSSCGKSA-N 0 3 327.331 2.364 10 5 EEBEHN CN(CCCNC(=O)c1ccsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001479778461 1098962474 /nfs/dbraw/zinc/96/24/74/1098962474.db2.gz BTXHYAMQPJNZRH-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN CCCN[C@@H](COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440738 214057310 /nfs/dbraw/zinc/05/73/10/214057310.db2.gz ISPABLSBNZEKOK-JTQLQIEISA-N 0 3 336.175 2.134 10 5 EEBEHN COc1ccc(OC)c([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000181954481 234392481 /nfs/dbraw/zinc/39/24/81/234392481.db2.gz JKXJYBRPVRAWSZ-GFCCVEGCSA-N 0 3 347.371 2.125 10 5 EEBEHN C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CCN(C)CC1 ZINC000272850788 256243290 /nfs/dbraw/zinc/24/32/90/256243290.db2.gz HIPMWTUCDQRKCW-LLVKDONJSA-N 0 3 328.372 2.456 10 5 EEBEHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCN2CC(C)C)c1[N+](=O)[O-] ZINC000119573940 221351995 /nfs/dbraw/zinc/35/19/95/221351995.db2.gz CPHIBESQMIUQLQ-GFCCVEGCSA-N 0 3 337.424 2.121 10 5 EEBEHN CC1CC[NH+](CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000098117627 159250938 /nfs/dbraw/zinc/25/09/38/159250938.db2.gz AQCKYBBLWCOYTL-UHFFFAOYSA-N 0 3 347.462 2.057 10 5 EEBEHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000245752474 160251047 /nfs/dbraw/zinc/25/10/47/160251047.db2.gz OCIFGQXEWAUHRW-WFEZPHLISA-N 0 3 331.416 2.261 10 5 EEBEHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000344407103 161224104 /nfs/dbraw/zinc/22/41/04/161224104.db2.gz SJOCJRLGLHRSPP-CQSZACIVSA-N 0 3 337.807 2.486 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352080984 162060162 /nfs/dbraw/zinc/06/01/62/162060162.db2.gz CNFMXIUJZLHTCQ-MRXNPFEDSA-N 0 3 349.431 2.099 10 5 EEBEHN CC(C)[C@](C)(CO)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352915331 162344510 /nfs/dbraw/zinc/34/45/10/162344510.db2.gz QIARFRYAJNGXAV-AWEZNQCLSA-N 0 3 329.784 2.183 10 5 EEBEHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1[O-] ZINC000355282019 163131614 /nfs/dbraw/zinc/13/16/14/163131614.db2.gz PMSSKYMJANFTPL-LLVKDONJSA-N 0 3 330.344 2.202 10 5 EEBEHN CNC(=O)C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000361642582 164479760 /nfs/dbraw/zinc/47/97/60/164479760.db2.gz JOHGZEKAZJTJDL-HNNXBMFYSA-N 0 3 343.383 2.441 10 5 EEBEHN CN(CCC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000540928539 318084806 /nfs/dbraw/zinc/08/48/06/318084806.db2.gz MMJBGQUNUKUVRT-UHFFFAOYSA-N 0 3 328.372 2.175 10 5 EEBEHN CCCN1CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000341367005 465133535 /nfs/dbraw/zinc/13/35/35/465133535.db2.gz JWHSXYCGKUKURA-UHFFFAOYSA-N 0 3 336.392 2.371 10 5 EEBEHN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCN1Cc1ccccc1 ZINC000354811853 465167297 /nfs/dbraw/zinc/16/72/97/465167297.db2.gz FEWAUOIGVRQKCM-KRWDZBQOSA-N 0 3 343.387 2.102 10 5 EEBEHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000064245113 462690385 /nfs/dbraw/zinc/69/03/85/462690385.db2.gz QWCGVCBEEKDLCI-UHFFFAOYSA-N 0 3 347.462 2.150 10 5 EEBEHN Cn1ccnc1CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137047378 463274724 /nfs/dbraw/zinc/27/47/24/463274724.db2.gz CZGXXVWOPVPXSM-KRWDZBQOSA-N 0 3 344.415 2.316 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177699299 463769521 /nfs/dbraw/zinc/76/95/21/463769521.db2.gz HXQJKCYQOIERGO-OAHLLOKOSA-N 0 3 334.420 2.258 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN4CCCC[C@@H]4C3)o2)cc1 ZINC000172801731 464146014 /nfs/dbraw/zinc/14/60/14/464146014.db2.gz AOLLHBPVAQZMPR-OAHLLOKOSA-N 0 3 343.387 2.315 10 5 EEBEHN COC(=O)c1cc(C)nc(N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000286110193 464806155 /nfs/dbraw/zinc/80/61/55/464806155.db2.gz LNSGPSQOJRGYRK-GFCCVEGCSA-N 0 3 336.392 2.371 10 5 EEBEHN O=C(CCN[C@@H](CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183637761 464889585 /nfs/dbraw/zinc/88/95/85/464889585.db2.gz WDDLWIVMWIYGJO-INIZCTEOSA-N 0 3 329.356 2.247 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094762 468441760 /nfs/dbraw/zinc/44/17/60/468441760.db2.gz JMDNQFVHQDIJCQ-VIFPVBQESA-N 0 3 341.799 2.294 10 5 EEBEHN CN1CCC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094753 468442021 /nfs/dbraw/zinc/44/20/21/468442021.db2.gz JMDNQFVHQDIJCQ-SECBINFHSA-N 0 3 341.799 2.294 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000340301219 465970626 /nfs/dbraw/zinc/97/06/26/465970626.db2.gz JUWJPRVCIARNJK-ZFWWWQNUSA-N 0 3 334.420 2.261 10 5 EEBEHN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H](c1ccccc1)N(C)C ZINC000357686240 466210198 /nfs/dbraw/zinc/21/01/98/466210198.db2.gz OQWDCGFGMDHODI-PXAZEXFGSA-N 0 3 340.387 2.741 10 5 EEBEHN Cc1cc(OCC(=O)N[C@@H](CC(C)C)CN(C)C)ccc1[N+](=O)[O-] ZINC000431709913 467534387 /nfs/dbraw/zinc/53/43/87/467534387.db2.gz PTKMEIIGNIZBOM-AWEZNQCLSA-N 0 3 337.420 2.375 10 5 EEBEHN CN(CCN1CCc2ncc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000450699235 467893705 /nfs/dbraw/zinc/89/37/05/467893705.db2.gz XLHYOTFEOSLQOE-UHFFFAOYSA-N 0 3 326.400 2.480 10 5 EEBEHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CCN(CC2CC2)C1 ZINC000589837584 468187396 /nfs/dbraw/zinc/18/73/96/468187396.db2.gz HGVSTSKJAZZNOF-LLVKDONJSA-N 0 3 339.342 2.016 10 5 EEBEHN C[C@H]1CCN(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000594309070 468548635 /nfs/dbraw/zinc/54/86/35/468548635.db2.gz FCRCIESTTTZRQF-AWEZNQCLSA-N 0 3 347.415 2.306 10 5 EEBEHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594451983 468593395 /nfs/dbraw/zinc/59/33/95/468593395.db2.gz VTWMBRIURNNNCT-XCBNKYQSSA-N 0 3 337.323 2.081 10 5 EEBEHN COc1c(C)cccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594576852 468624912 /nfs/dbraw/zinc/62/49/12/468624912.db2.gz BVXPOURZSZNXON-MRXNPFEDSA-N 0 3 346.383 2.441 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN[C@@H](c2ccccc2)C2(CO)CC=CC2)n1 ZINC000592176762 468646778 /nfs/dbraw/zinc/64/67/78/468646778.db2.gz DHSZTRYCXFBVJK-KRWDZBQOSA-N 0 3 342.399 2.451 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592211319 468656428 /nfs/dbraw/zinc/65/64/28/468656428.db2.gz PHXIYHWEUUVYPI-UHFFFAOYSA-N 0 3 348.403 2.232 10 5 EEBEHN CS[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000601145611 468760011 /nfs/dbraw/zinc/76/00/11/468760011.db2.gz PGEDHVJAWVQKHD-QWHCGFSZSA-N 0 3 326.397 2.145 10 5 EEBEHN CC[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1 ZINC000598536157 468904816 /nfs/dbraw/zinc/90/48/16/468904816.db2.gz NCTKLWGDBVCASS-GXTWGEPZSA-N 0 3 330.388 2.148 10 5 EEBEHN COc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1OC1CC1 ZINC000598967289 469071598 /nfs/dbraw/zinc/07/15/98/469071598.db2.gz GZRGWNKMVPJJND-UHFFFAOYSA-N 0 3 332.360 2.131 10 5 EEBEHN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(N2CCCOCC2)CC1 ZINC000596269702 469227565 /nfs/dbraw/zinc/22/75/65/469227565.db2.gz YVJHKDVHUACQNR-UHFFFAOYSA-N 0 3 340.811 2.334 10 5 EEBEHN COc1cc(CN2CCC3(CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000618547347 469384812 /nfs/dbraw/zinc/38/48/12/469384812.db2.gz CNHZDJHLVDJZRP-UHFFFAOYSA-N 0 3 333.388 2.048 10 5 EEBEHN COCCN1CCC(NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751527217 577754890 /nfs/dbraw/zinc/75/48/90/577754890.db2.gz GJZRCDJCIUNWCE-YPKPFQOOSA-N 0 3 347.415 2.225 10 5 EEBEHN O=C(Cc1ccc[nH]1)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001691184168 1177685862 /nfs/dbraw/zinc/68/58/62/1177685862.db2.gz CCFNCTKOPYRLMW-SAZUREKKSA-N 0 3 342.399 2.150 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001267127228 1178295804 /nfs/dbraw/zinc/29/58/04/1178295804.db2.gz OCWFBHZMXKXFQE-XYJQFASLSA-N 0 3 343.427 2.435 10 5 EEBEHN CCCc1nc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001267455697 1179037926 /nfs/dbraw/zinc/03/79/26/1179037926.db2.gz CGNCNTGJPQEGQJ-UHFFFAOYSA-N 0 3 346.387 2.397 10 5 EEBEHN Cc1conc1C(=O)N(C)CCCNCc1csc([N+](=O)[O-])c1 ZINC001268905895 1183807461 /nfs/dbraw/zinc/80/74/61/1183807461.db2.gz LZNBQYSHUQKVMI-UHFFFAOYSA-N 0 3 338.389 2.205 10 5 EEBEHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105510 1201094206 /nfs/dbraw/zinc/09/42/06/1201094206.db2.gz NPKYBTBLABGCJB-SFYZADRCSA-N 0 3 337.298 2.374 10 5 EEBEHN CCS(=O)(=O)C1(CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866392662 1201506004 /nfs/dbraw/zinc/50/60/04/1201506004.db2.gz HFUIZIRHXILKED-LLVKDONJSA-N 0 3 344.408 2.222 10 5 EEBEHN Cc1ccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000868488536 1201821142 /nfs/dbraw/zinc/82/11/42/1201821142.db2.gz DOZAOGOSLUABFR-CYBMUJFWSA-N 0 3 332.404 2.353 10 5 EEBEHN COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000859955513 1294724502 /nfs/dbraw/zinc/72/45/02/1294724502.db2.gz VAJLYLABEYUNRR-NCOADZHNSA-N 0 3 348.399 2.292 10 5 EEBEHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1N(C)C ZINC001295851135 1329849154 /nfs/dbraw/zinc/84/91/54/1329849154.db2.gz CPTFATXJFIYZEN-UONOGXRCSA-N 0 3 341.408 2.160 10 5 EEBEHN CC([C@@H](OC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1F)[N+](=O)[O-] ZINC001344013397 1337361653 /nfs/dbraw/zinc/36/16/53/1337361653.db2.gz RNPXYRAVEQRDRH-HHMYAWENSA-N 0 3 335.331 2.499 10 5 EEBEHN Cc1nocc1C(=O)N(C)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001570207320 1343032367 /nfs/dbraw/zinc/03/23/67/1343032367.db2.gz MJPDVCAPDMASDD-UHFFFAOYSA-N 0 3 346.387 2.485 10 5 EEBEHN Cn1cc([C@@H]2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC001655855280 1354187552 /nfs/dbraw/zinc/18/75/52/1354187552.db2.gz DUVUUGOPQIMKGV-CQSZACIVSA-N 0 3 345.403 2.372 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)nc1-c1ccccc1 ZINC001655894456 1354188825 /nfs/dbraw/zinc/18/88/25/1354188825.db2.gz DIDOCALRLKYWGW-CQSZACIVSA-N 0 3 340.383 2.224 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)n1 ZINC001135924602 784805158 /nfs/dbraw/zinc/80/51/58/784805158.db2.gz RXIYZTFKWXEZGK-INIZCTEOSA-N 0 3 342.399 2.201 10 5 EEBEHN CCCc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001493653991 1108460464 /nfs/dbraw/zinc/46/04/64/1108460464.db2.gz XJDAJMOHKTUPKV-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1cccnc1)C1CC1 ZINC000445814980 242134568 /nfs/dbraw/zinc/13/45/68/242134568.db2.gz FKIFMQALTHCDSB-YJBOKZPZSA-N 0 3 343.383 2.470 10 5 EEBEHN O=[N+]([O-])c1ccc2sc(S(=O)(=O)C[C@H]3CCCCN3)nc2c1 ZINC000095092210 218280072 /nfs/dbraw/zinc/28/00/72/218280072.db2.gz KRMHBCMXRKGISL-SECBINFHSA-N 0 3 341.414 2.120 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270321460 256123510 /nfs/dbraw/zinc/12/35/10/256123510.db2.gz UOLAZPBMUMIHON-CQSZACIVSA-N 0 3 330.388 2.171 10 5 EEBEHN Cn1cc([C@H]2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116316946 152048755 /nfs/dbraw/zinc/04/87/55/152048755.db2.gz LOQOSRZAFUEGBE-ZDUSSCGKSA-N 0 3 343.387 2.146 10 5 EEBEHN COc1ccc(NC(=O)CCN2CCOCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000360085968 164228727 /nfs/dbraw/zinc/22/87/27/164228727.db2.gz BUEIZBPZHFNGMZ-UHFFFAOYSA-N 0 3 349.387 2.044 10 5 EEBEHN Cc1sc(C(=O)NCCCN2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278469475 274360832 /nfs/dbraw/zinc/36/08/32/274360832.db2.gz JRNVIDVMKQCAHJ-NSHDSACASA-N 0 3 341.433 2.195 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448883483 315396849 /nfs/dbraw/zinc/39/68/49/315396849.db2.gz QYDJWHHXUQOXRB-CQSZACIVSA-N 0 3 343.387 2.151 10 5 EEBEHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000358698695 465271592 /nfs/dbraw/zinc/27/15/92/465271592.db2.gz MBDLZUDOKBKFNR-PWSUYJOCSA-N 0 3 341.795 2.226 10 5 EEBEHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000080899180 463363599 /nfs/dbraw/zinc/36/35/99/463363599.db2.gz CRNSUTXBCBXFHE-KZULUSFZSA-N 0 3 349.431 2.361 10 5 EEBEHN CN(C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000108951780 463630430 /nfs/dbraw/zinc/63/04/30/463630430.db2.gz PDXXSVJMHDYRNS-LLVKDONJSA-N 0 3 333.310 2.380 10 5 EEBEHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263909920 464236309 /nfs/dbraw/zinc/23/63/09/464236309.db2.gz JVSAEJRZUJRCCI-CQSZACIVSA-N 0 3 332.404 2.335 10 5 EEBEHN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183200883 464821113 /nfs/dbraw/zinc/82/11/13/464821113.db2.gz DGEUGTHINCHQEK-RNCFNFMXSA-N 0 3 327.768 2.344 10 5 EEBEHN CCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177115308 464934892 /nfs/dbraw/zinc/93/48/92/464934892.db2.gz KVJQFCFCDPFLIY-DGCLKSJQSA-N 0 3 333.388 2.349 10 5 EEBEHN CC[C@H](C)N[C@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccco1 ZINC000359541436 465442598 /nfs/dbraw/zinc/44/25/98/465442598.db2.gz DMEQZQYVAWKNQJ-NWDGAFQWSA-N 0 3 349.391 2.263 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000298937773 465546294 /nfs/dbraw/zinc/54/62/94/465546294.db2.gz IDRVWJVZSDJUIU-INIZCTEOSA-N 0 3 327.384 2.498 10 5 EEBEHN CCCN1CC[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091296 468440179 /nfs/dbraw/zinc/44/01/79/468440179.db2.gz CXRWQGAEDUSGFG-SNVBAGLBSA-N 0 3 341.799 2.436 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000345177619 465838802 /nfs/dbraw/zinc/83/88/02/465838802.db2.gz VPHFGTFKGKMUQZ-CYBMUJFWSA-N 0 3 343.449 2.220 10 5 EEBEHN O=C(CNC1(CCO)CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000353678855 466061661 /nfs/dbraw/zinc/06/16/61/466061661.db2.gz UWBWCRAKIQCLPN-UHFFFAOYSA-N 0 3 347.415 2.159 10 5 EEBEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361776317 466279141 /nfs/dbraw/zinc/27/91/41/466279141.db2.gz LITLMBZYTUAWIW-GJZGRUSLSA-N 0 3 348.447 2.410 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CNC1(CO)Cc2ccccc2C1 ZINC000363410140 466384751 /nfs/dbraw/zinc/38/47/51/466384751.db2.gz CKGKSUOWCLVCOV-UHFFFAOYSA-N 0 3 328.368 2.223 10 5 EEBEHN Cc1ccc([C@@H](C)NCCn2nc3ccccn3c2=O)cc1[N+](=O)[O-] ZINC000358099586 466454342 /nfs/dbraw/zinc/45/43/42/466454342.db2.gz NVWCBNQUOLOCCO-CYBMUJFWSA-N 0 3 341.371 2.063 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370996535 467067190 /nfs/dbraw/zinc/06/71/90/467067190.db2.gz DZNYPHDYZHPCQK-RHSMWYFYSA-N 0 3 328.372 2.298 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600472665 468566918 /nfs/dbraw/zinc/56/69/18/468566918.db2.gz OCORSNVBVHSEKW-AWEZNQCLSA-N 0 3 333.388 2.350 10 5 EEBEHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 ZINC000594990380 468738875 /nfs/dbraw/zinc/73/88/75/468738875.db2.gz PIAMAUSIOIYMFZ-IAGOWNOFSA-N 0 3 331.416 2.328 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)[C@]1(O)CCOC1 ZINC000595046311 468748307 /nfs/dbraw/zinc/74/83/07/468748307.db2.gz PCBGUUVYSWFSNR-SJCJKPOMSA-N 0 3 338.404 2.432 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1CN1CCCC1 ZINC000601147548 468761157 /nfs/dbraw/zinc/76/11/57/468761157.db2.gz RGLWDTUEYRHGJS-JTQLQIEISA-N 0 3 347.341 2.412 10 5 EEBEHN CC(C)N1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601172653 468770082 /nfs/dbraw/zinc/77/00/82/468770082.db2.gz DWTJYKSTGQZJBV-VIFPVBQESA-N 0 3 335.330 2.266 10 5 EEBEHN COC(=O)c1ccnc(NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598596647 468927225 /nfs/dbraw/zinc/92/72/25/468927225.db2.gz RCGJZLPABVHSAC-TXEJJXNPSA-N 0 3 336.392 2.451 10 5 EEBEHN CN1CCOC[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000599003304 469084665 /nfs/dbraw/zinc/08/46/65/469084665.db2.gz HXTJWQQAZUMAHS-ZDUSSCGKSA-N 0 3 331.372 2.275 10 5 EEBEHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN1C1CCCC1 ZINC000599165758 469145396 /nfs/dbraw/zinc/14/53/96/469145396.db2.gz RZVZLZQPMIUPLT-CQSZACIVSA-N 0 3 332.404 2.383 10 5 EEBEHN CN(C)[C@@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602173424 469225102 /nfs/dbraw/zinc/22/51/02/469225102.db2.gz PZJXDHMGAWQBGV-JKSUJKDBSA-N 0 3 347.415 2.403 10 5 EEBEHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000611525034 469272230 /nfs/dbraw/zinc/27/22/30/469272230.db2.gz FFBZMIOTLSFKIZ-INIZCTEOSA-N 0 3 330.388 2.384 10 5 EEBEHN Cc1nn(CN2CCC[C@@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000747822988 577950637 /nfs/dbraw/zinc/95/06/37/577950637.db2.gz GJNILTQZPDVDRA-KGLIPLIRSA-N 0 3 345.403 2.354 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000925329394 692753310 /nfs/dbraw/zinc/75/33/10/692753310.db2.gz ANVVCLHXQXEKQH-DOMZBBRYSA-N 0 3 332.404 2.361 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(C2CC2)n1 ZINC001267437134 1179014555 /nfs/dbraw/zinc/01/45/55/1179014555.db2.gz MXUSDQBRFTYEBJ-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccco1 ZINC001482958190 1187886087 /nfs/dbraw/zinc/88/60/87/1187886087.db2.gz RFIGKUPMDXWDMP-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN CN(C)Cc1cccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870828006 1200895339 /nfs/dbraw/zinc/89/53/39/1200895339.db2.gz JAGFWIXPYXRZJB-UHFFFAOYSA-N 0 3 344.371 2.413 10 5 EEBEHN COc1cc(C(=O)N2CCN(C)C(C)(C)CC2)c([N+](=O)[O-])cc1F ZINC000871158369 1201079488 /nfs/dbraw/zinc/07/94/88/1201079488.db2.gz ZQFVXWPITBFBID-UHFFFAOYSA-N 0 3 339.367 2.299 10 5 EEBEHN CC(COC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813106206 1201117282 /nfs/dbraw/zinc/11/72/82/1201117282.db2.gz AOCNAYSWJNFDSN-GUYCJALGSA-N 0 3 334.372 2.137 10 5 EEBEHN O=C1[C@H](N[C@@H]2CCC[C@]23CCCO3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880503275 1201506541 /nfs/dbraw/zinc/50/65/41/1201506541.db2.gz BWUQFORGPWGDSV-NUJGCVRESA-N 0 3 345.399 2.391 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1C ZINC000928433560 1206382946 /nfs/dbraw/zinc/38/29/46/1206382946.db2.gz MPNMUTNPGSRDML-KWQFWETISA-N 0 3 331.294 2.436 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118564047 1308884618 /nfs/dbraw/zinc/88/46/18/1308884618.db2.gz PXVPQUTZLCSORJ-OAHLLOKOSA-N 0 3 332.404 2.493 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC001293251694 1328646090 /nfs/dbraw/zinc/64/60/90/1328646090.db2.gz DNWBKMRCKPQVMN-CYBMUJFWSA-N 0 3 333.388 2.208 10 5 EEBEHN O=C(Cc1ccc[nH]1)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001280545994 1324288818 /nfs/dbraw/zinc/28/88/18/1324288818.db2.gz TYNMAMKLZTYWKR-UHFFFAOYSA-N 0 3 342.399 2.294 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)[nH]1 ZINC001317632206 1332338276 /nfs/dbraw/zinc/33/82/76/1332338276.db2.gz GIBHFCWOHVQCSJ-UHFFFAOYSA-N 0 3 336.779 2.438 10 5 EEBEHN O=C(CCC(F)F)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001566847323 1342640824 /nfs/dbraw/zinc/64/08/24/1342640824.db2.gz ZKQGPQPWPRPFTH-TXEJJXNPSA-N 0 3 327.331 2.377 10 5 EEBEHN CN1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C(C)(C)C1 ZINC001597314126 1349922005 /nfs/dbraw/zinc/92/20/05/1349922005.db2.gz PJPOMICRUDGPFR-OAHLLOKOSA-N 0 3 343.387 2.055 10 5 EEBEHN CCN1C[C@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646587396 1352875951 /nfs/dbraw/zinc/87/59/51/1352875951.db2.gz TUXOYOXNEHBTQD-HNNXBMFYSA-N 0 3 335.404 2.372 10 5 EEBEHN CC(C)n1cc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001664304237 1355134480 /nfs/dbraw/zinc/13/44/80/1355134480.db2.gz HIANAWCPJDWGMO-UHFFFAOYSA-N 0 3 345.403 2.234 10 5 EEBEHN C[C@H](NC[C@@H](O)CN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001176036858 798326650 /nfs/dbraw/zinc/32/66/50/798326650.db2.gz PSQVOKXFEMWMAW-GXFFZTMASA-N 0 3 335.326 2.100 10 5 EEBEHN CCc1n[n-]c(C(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)c1[N+](=O)[O-] ZINC000171820677 529465887 /nfs/dbraw/zinc/46/58/87/529465887.db2.gz LYLJZBCYDAGVNK-NSHDSACASA-N 0 3 346.391 2.117 10 5 EEBEHN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCCN1 ZINC000037040244 213131724 /nfs/dbraw/zinc/13/17/24/213131724.db2.gz STGNVUQIOQTUAY-NSHDSACASA-N 0 3 328.166 2.438 10 5 EEBEHN CN1CC=C(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000359493430 153398465 /nfs/dbraw/zinc/39/84/65/153398465.db2.gz BURKMTYRIMBGPA-UHFFFAOYSA-N 0 3 341.314 2.188 10 5 EEBEHN Cc1ccc([C@H]2CCCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000246864748 160298230 /nfs/dbraw/zinc/29/82/30/160298230.db2.gz FVAZTOOEQDQVNV-HUUCEWRRSA-N 0 3 334.376 2.281 10 5 EEBEHN COc1cc(CN2C[C@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000352776581 162282558 /nfs/dbraw/zinc/28/25/58/162282558.db2.gz DCMWTMRZDAISLQ-ZFWWWQNUSA-N 0 3 325.434 2.081 10 5 EEBEHN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1CN1CCOCC1 ZINC000369144969 166198835 /nfs/dbraw/zinc/19/88/35/166198835.db2.gz RMAFIASVVOGNMS-INIZCTEOSA-N 0 3 349.431 2.160 10 5 EEBEHN COc1cnccc1N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000360257941 278076988 /nfs/dbraw/zinc/07/69/88/278076988.db2.gz MZBLOTOFWOZTIB-UHFFFAOYSA-N 0 3 329.360 2.028 10 5 EEBEHN CN(C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000301824988 294899797 /nfs/dbraw/zinc/89/97/97/294899797.db2.gz DJRLNGAZWZDPFG-CYBMUJFWSA-N 0 3 326.360 2.352 10 5 EEBEHN CN(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(F)c1 ZINC000301855081 294903381 /nfs/dbraw/zinc/90/33/81/294903381.db2.gz YOUQFXCUFWPZTL-ZDUSSCGKSA-N 0 3 344.350 2.491 10 5 EEBEHN Cc1cc(S(=O)(=O)N[C@@H](C)CN(C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416483898 313234762 /nfs/dbraw/zinc/23/47/62/313234762.db2.gz OTRZMKPXYTYMRL-ZDUSSCGKSA-N 0 3 343.449 2.219 10 5 EEBEHN CC(C)N(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)CO ZINC000421412702 314099491 /nfs/dbraw/zinc/09/94/91/314099491.db2.gz UMUSRDGYFLDNJP-ZDUSSCGKSA-N 0 3 334.372 2.418 10 5 EEBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@H]1C(F)F ZINC000576108035 320141509 /nfs/dbraw/zinc/14/15/09/320141509.db2.gz KHYDSXLJZMFIDA-CYBMUJFWSA-N 0 3 329.347 2.421 10 5 EEBEHN COCCN1CCC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576747412 320200598 /nfs/dbraw/zinc/20/05/98/320200598.db2.gz AFQAONDXQPYWJK-AWEZNQCLSA-N 0 3 334.420 2.391 10 5 EEBEHN NC(=O)c1ccc(CN2C[C@@H](O)C[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000070005506 463363975 /nfs/dbraw/zinc/36/39/75/463363975.db2.gz HSDDHTXPQRHETP-JKSUJKDBSA-N 0 3 347.415 2.209 10 5 EEBEHN Cc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000261623576 463806515 /nfs/dbraw/zinc/80/65/15/463806515.db2.gz GIXDVEDXRWTTOJ-RVSPLBMKSA-N 0 3 333.388 2.374 10 5 EEBEHN COc1cc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194315291 463834186 /nfs/dbraw/zinc/83/41/86/463834186.db2.gz SRWPZKUOQMMBNZ-WMZOPIPTSA-N 0 3 346.383 2.096 10 5 EEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000175436319 464548811 /nfs/dbraw/zinc/54/88/11/464548811.db2.gz SQCAYJUGXOQSLR-QWHCGFSZSA-N 0 3 333.388 2.302 10 5 EEBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000286391427 464902215 /nfs/dbraw/zinc/90/22/15/464902215.db2.gz NBLRCVKEQYPUSP-KBPBESRZSA-N 0 3 325.434 2.341 10 5 EEBEHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1ccncc1 ZINC000361378038 465948602 /nfs/dbraw/zinc/94/86/02/465948602.db2.gz PZKFIEMNOPPVEI-OAHLLOKOSA-N 0 3 342.399 2.209 10 5 EEBEHN CCCc1n[nH]c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346213048 465998568 /nfs/dbraw/zinc/99/85/68/465998568.db2.gz YCXQCTUFGKMHSN-TXEJJXNPSA-N 0 3 337.424 2.263 10 5 EEBEHN CCN1CCCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362777913 466019184 /nfs/dbraw/zinc/01/91/84/466019184.db2.gz YEJUFIZRRDDHIQ-NSHDSACASA-N 0 3 341.358 2.406 10 5 EEBEHN Cn1cc(CN2CCC3(COC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597228797 468487942 /nfs/dbraw/zinc/48/79/42/468487942.db2.gz GSCJUEMJYTZGKJ-UHFFFAOYSA-N 0 3 328.372 2.218 10 5 EEBEHN CC[C@H](CO)N1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347351309 466584796 /nfs/dbraw/zinc/58/47/96/466584796.db2.gz DSLYDYBOXCCGOZ-JBXOJTMHSA-N 0 3 333.432 2.387 10 5 EEBEHN CC(=O)c1ccc(N2CCC(N3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000408523454 466677829 /nfs/dbraw/zinc/67/78/29/466677829.db2.gz KFCUTTNHTYATIY-UHFFFAOYSA-N 0 3 347.415 2.489 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000428485821 467238732 /nfs/dbraw/zinc/23/87/32/467238732.db2.gz QIRMZJXKYYFHIR-GFCCVEGCSA-N 0 3 345.321 2.404 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000436418276 467535177 /nfs/dbraw/zinc/53/51/77/467535177.db2.gz HCQTVYMNROZUMD-OAHLLOKOSA-N 0 3 332.404 2.010 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600472666 468567464 /nfs/dbraw/zinc/56/74/64/468567464.db2.gz OCORSNVBVHSEKW-CQSZACIVSA-N 0 3 333.388 2.350 10 5 EEBEHN C[C@H]1CN(C)CC[C@H]1N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601125801 468751833 /nfs/dbraw/zinc/75/18/33/468751833.db2.gz JXEOQGHPHZREGA-DTWKUNHWSA-N 0 3 335.330 2.124 10 5 EEBEHN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595258230 468795251 /nfs/dbraw/zinc/79/52/51/468795251.db2.gz SWMZXGOFJHPNLJ-QGZVFWFLSA-N 0 3 341.367 2.437 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000595630918 468930792 /nfs/dbraw/zinc/93/07/92/468930792.db2.gz CXAIGNAIXSDRIO-DAXOMENPSA-N 0 3 338.404 2.259 10 5 EEBEHN C[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000601774769 469018633 /nfs/dbraw/zinc/01/86/33/469018633.db2.gz DMXYSKFNWPDFNK-KDOFPFPSSA-N 0 3 349.431 2.183 10 5 EEBEHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccsc1 ZINC000587137470 469086420 /nfs/dbraw/zinc/08/64/20/469086420.db2.gz HRWNSNBUOGKPPR-CQSZACIVSA-N 0 3 336.417 2.446 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CNc1nc3ccc(F)cc3[nH]1)OCCO2 ZINC000618678921 469422260 /nfs/dbraw/zinc/42/22/60/469422260.db2.gz DPHIHXFPCFFAAW-UHFFFAOYSA-N 0 3 344.302 2.415 10 5 EEBEHN CC[C@H](C)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000295917245 517802484 /nfs/dbraw/zinc/80/24/84/517802484.db2.gz JOJUEYSZHNVKSI-ZDUSSCGKSA-N 0 3 344.419 2.311 10 5 EEBEHN COC1CCN(CCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755470364 577825472 /nfs/dbraw/zinc/82/54/72/577825472.db2.gz IDZBWVDBUVECLL-BUHFOSPRSA-N 0 3 347.415 2.225 10 5 EEBEHN COc1ccc(-c2ccc(CN3C[C@H]4C[C@@]4(O)C3)o2)c([N+](=O)[O-])c1 ZINC000895646208 684673800 /nfs/dbraw/zinc/67/38/00/684673800.db2.gz FFWPJUKFKIKLTA-PIGZYNQJSA-N 0 3 330.340 2.430 10 5 EEBEHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)c1ccnn1C ZINC000927127035 693299222 /nfs/dbraw/zinc/29/92/22/693299222.db2.gz PWPAYGLNNHCTMZ-QMTHXVAHSA-N 0 3 336.417 2.434 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1ccc[nH]1 ZINC001267365905 1178854063 /nfs/dbraw/zinc/85/40/63/1178854063.db2.gz PZVQQKUTVCLTPG-TWGQIWQCSA-N 0 3 328.372 2.184 10 5 EEBEHN CCc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)no1 ZINC001481305090 1180975977 /nfs/dbraw/zinc/97/59/77/1180975977.db2.gz QLRICECODYSVAQ-UHFFFAOYSA-N 0 3 332.360 2.007 10 5 EEBEHN COCCN1CCC[C@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031979 1198030882 /nfs/dbraw/zinc/03/08/82/1198030882.db2.gz OQUJEWCYJJIQLA-OLZOCXBDSA-N 0 3 325.384 2.495 10 5 EEBEHN CC(COC(=O)[C@@H](C)Oc1ccccc1Br)[N+](=O)[O-] ZINC000813106882 1201116125 /nfs/dbraw/zinc/11/61/25/1201116125.db2.gz JBAWBXPVSFJPPH-DTWKUNHWSA-N 0 3 332.150 2.425 10 5 EEBEHN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813108706 1201120429 /nfs/dbraw/zinc/12/04/29/1201120429.db2.gz KKHKZPMOPBDADW-YFKPBYRVSA-N 0 3 329.662 2.072 10 5 EEBEHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928443979 1206384781 /nfs/dbraw/zinc/38/47/81/1206384781.db2.gz HQCNOVICHXEDJF-NHCYSSNCSA-N 0 3 341.795 2.224 10 5 EEBEHN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCCN2CC[N+](=O)[O-])C1 ZINC000930582891 1206568578 /nfs/dbraw/zinc/56/85/78/1206568578.db2.gz KUBWYHHHQZEPJM-KBPBESRZSA-N 0 3 327.425 2.375 10 5 EEBEHN CC(C)N1CCC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001138093134 1248485326 /nfs/dbraw/zinc/48/53/26/1248485326.db2.gz IPNDBHOKBOFHNW-NSHDSACASA-N 0 3 340.811 2.433 10 5 EEBEHN O=C(CC1CCOCC1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001273918529 1289837502 /nfs/dbraw/zinc/83/75/02/1289837502.db2.gz HCLJGJOXJIJAIT-OWOJBTEDSA-N 0 3 347.415 2.174 10 5 EEBEHN O=[N+]([O-])c1c(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc2cnccc21 ZINC000858374500 1294099567 /nfs/dbraw/zinc/09/95/67/1294099567.db2.gz NWBZOAVPROFFLB-ZIAGYGMSSA-N 0 3 328.372 2.418 10 5 EEBEHN CCN(CCCNC(=O)c1cnsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266022176 1323573245 /nfs/dbraw/zinc/57/32/45/1323573245.db2.gz CZRBVEUXASBQJW-UHFFFAOYSA-N 0 3 349.416 2.088 10 5 EEBEHN COCC(C)(C)CC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001317115547 1332085482 /nfs/dbraw/zinc/08/54/82/1332085482.db2.gz GGCWYUFZVGHLPI-GASCZTMLSA-N 0 3 349.431 2.394 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001345662592 1337455825 /nfs/dbraw/zinc/45/58/25/1337455825.db2.gz FFPZMEXVHGYARP-HNNXBMFYSA-N 0 3 334.372 2.313 10 5 EEBEHN Cc1c(C(=O)OC[C@@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001349760611 1337645276 /nfs/dbraw/zinc/64/52/76/1337645276.db2.gz QAKZYZHUSFKYKM-AWEZNQCLSA-N 0 3 334.372 2.313 10 5 EEBEHN Cc1cccc(C(=O)OC[C@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC001349759855 1337645416 /nfs/dbraw/zinc/64/54/16/1337645416.db2.gz DMHVGNQJMWNUQK-CQSZACIVSA-N 0 3 334.372 2.313 10 5 EEBEHN CN(CC1CCOCC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483528 1338706413 /nfs/dbraw/zinc/70/64/13/1338706413.db2.gz JCMQXEMGIXVQRF-QGZVFWFLSA-N 0 3 347.415 2.227 10 5 EEBEHN COC(=O)C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001620613381 1352361084 /nfs/dbraw/zinc/36/10/84/1352361084.db2.gz DZLSQYSHQMGGSM-ZDUSSCGKSA-N 0 3 337.376 2.101 10 5 EEBEHN CN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC001627990786 1352516857 /nfs/dbraw/zinc/51/68/57/1352516857.db2.gz OXTYNHPFTDMEMY-UHFFFAOYSA-N 0 3 346.431 2.484 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccnn1C ZINC001644227622 1352759897 /nfs/dbraw/zinc/75/98/97/1352759897.db2.gz FUVUKPAAXKBYLB-GFCCVEGCSA-N 0 3 331.376 2.316 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]c1C ZINC001668396879 1355933772 /nfs/dbraw/zinc/93/37/72/1355933772.db2.gz FAXFMVQWYBXHGI-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN CC1(C(=O)N(CCO)CCNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001672654501 1356562763 /nfs/dbraw/zinc/56/27/63/1356562763.db2.gz POSLNOSIPYTYDQ-UHFFFAOYSA-N 0 3 349.431 2.086 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445339 759970227 /nfs/dbraw/zinc/97/02/27/759970227.db2.gz MNMIIPUHGZMFTI-BHEFUSTPSA-N 0 3 347.415 2.225 10 5 EEBEHN CCc1ncsc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001493570813 1108336032 /nfs/dbraw/zinc/33/60/32/1108336032.db2.gz DNSFGOFXPBIWEG-UHFFFAOYSA-N 0 3 348.428 2.476 10 5 EEBEHN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCOC1 ZINC001460791027 1110324172 /nfs/dbraw/zinc/32/41/72/1110324172.db2.gz SAWHRFJMLYNKDB-NHYWBVRUSA-N 0 3 334.376 2.002 10 5 EEBEHN Cc1c(CC(=O)OC[C@@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001526620409 1120554501 /nfs/dbraw/zinc/55/45/01/1120554501.db2.gz LAPPXTMGZZBFFH-INIZCTEOSA-N 0 3 348.399 2.242 10 5 EEBEHN CN(C)C(=O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055899090 214346971 /nfs/dbraw/zinc/34/69/71/214346971.db2.gz HFTXZIPJNRWSJU-UHFFFAOYSA-N 0 3 335.404 2.164 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC000191700549 152268737 /nfs/dbraw/zinc/26/87/37/152268737.db2.gz ZFTZWVKBXBJXKS-CYBMUJFWSA-N 0 3 345.403 2.062 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000107523412 159332626 /nfs/dbraw/zinc/33/26/26/159332626.db2.gz OOBHQTSGSPMVDY-CQSZACIVSA-N 0 3 332.404 2.389 10 5 EEBEHN CN(C)Cc1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000349699862 161603377 /nfs/dbraw/zinc/60/33/77/161603377.db2.gz BVNYJQWSCVNULV-UHFFFAOYSA-N 0 3 340.383 2.250 10 5 EEBEHN CN(C)CCOc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000194197415 274068214 /nfs/dbraw/zinc/06/82/14/274068214.db2.gz AIVCAHFYCHRHOX-UHFFFAOYSA-N 0 3 343.383 2.465 10 5 EEBEHN CNC(=O)[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421370559 314093485 /nfs/dbraw/zinc/09/34/85/314093485.db2.gz BVVBFOSILRJDDT-CYBMUJFWSA-N 0 3 329.356 2.423 10 5 EEBEHN CCOC(=O)CC1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1 ZINC000434618238 314850449 /nfs/dbraw/zinc/85/04/49/314850449.db2.gz NXEMEMHPXYFSBM-UHFFFAOYSA-N 0 3 349.387 2.049 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cl)cc2Cl)c1 ZINC000572323893 319835134 /nfs/dbraw/zinc/83/51/34/319835134.db2.gz UKSMDUSQXDKGNY-GFCCVEGCSA-N 0 3 345.186 2.249 10 5 EEBEHN CN(C)CC(C)(C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580164076 324004863 /nfs/dbraw/zinc/00/48/63/324004863.db2.gz ALOFMCPAUWQYHV-UHFFFAOYSA-N 0 3 347.419 2.258 10 5 EEBEHN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCN(C2CC2)C1 ZINC000347889106 465288331 /nfs/dbraw/zinc/28/83/31/465288331.db2.gz JJQQTYYCSDBJSV-CYBMUJFWSA-N 0 3 328.372 2.385 10 5 EEBEHN C[C@@H]1CCCC[N@@H+]1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327432 462874688 /nfs/dbraw/zinc/87/46/88/462874688.db2.gz LWYZWVUXKUTKBI-LLVKDONJSA-N 0 3 347.462 2.199 10 5 EEBEHN C[C@@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327432 462874692 /nfs/dbraw/zinc/87/46/92/462874692.db2.gz LWYZWVUXKUTKBI-LLVKDONJSA-N 0 3 347.462 2.199 10 5 EEBEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177712164 463772041 /nfs/dbraw/zinc/77/20/41/463772041.db2.gz LYDGNGSOPZXRPA-HNNXBMFYSA-N 0 3 334.420 2.258 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@H]1c1cccnc1 ZINC000261866729 463882470 /nfs/dbraw/zinc/88/24/70/463882470.db2.gz WWFYJMPOCSCKFV-MRXNPFEDSA-N 0 3 328.372 2.145 10 5 EEBEHN C[C@@H](c1ccc(Cl)cc1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246631235 464607191 /nfs/dbraw/zinc/60/71/91/464607191.db2.gz BEASUQXTYNHXBQ-XHDPSFHLSA-N 0 3 338.795 2.499 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000176286016 464740534 /nfs/dbraw/zinc/74/05/34/464740534.db2.gz JPGNGFXZTVIRJQ-HZPDHXFCSA-N 0 3 330.388 2.379 10 5 EEBEHN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCN(C2CC2)C1 ZINC000348180208 465474628 /nfs/dbraw/zinc/47/46/28/465474628.db2.gz KUSYSJUCWQOFGU-HNNXBMFYSA-N 0 3 343.387 2.313 10 5 EEBEHN COCCN1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356646 465519808 /nfs/dbraw/zinc/51/98/08/465519808.db2.gz MXRGHUGSKNXQPW-AWEZNQCLSA-N 0 3 330.388 2.666 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362522873 465803255 /nfs/dbraw/zinc/80/32/55/465803255.db2.gz YMHBOQIMBSQVBH-LLVKDONJSA-N 0 3 341.358 2.406 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301474435 465969444 /nfs/dbraw/zinc/96/94/44/465969444.db2.gz RPNAMHFUWFSXMX-ZDUSSCGKSA-N 0 3 330.388 2.036 10 5 EEBEHN C[C@H]1CCCN(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301693474 466010316 /nfs/dbraw/zinc/01/03/16/466010316.db2.gz OPFKUWCWJWLCKN-NSHDSACASA-N 0 3 334.376 2.070 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2cccnc2)C2CC2)c1 ZINC000347350056 466585642 /nfs/dbraw/zinc/58/56/42/466585642.db2.gz QRLXFVNJVSOYHX-AEFFLSMTSA-N 0 3 343.383 2.470 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451589828 467262335 /nfs/dbraw/zinc/26/23/35/467262335.db2.gz WPRSMMFYIPUQGK-GLQYFDAESA-N 0 3 349.387 2.243 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000590010372 468205550 /nfs/dbraw/zinc/20/55/50/468205550.db2.gz GNWSGKWRAPZWCH-BBRMVZONSA-N 0 3 328.372 2.386 10 5 EEBEHN CN(C)CCN1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591894007 468553139 /nfs/dbraw/zinc/55/31/39/468553139.db2.gz ALTCMGKTTIGYSA-UHFFFAOYSA-N 0 3 347.463 2.307 10 5 EEBEHN CN(C)[C@H]1C[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594404076 468574276 /nfs/dbraw/zinc/57/42/76/468574276.db2.gz RHVYXOJOJNNRKJ-JNSHFYNHSA-N 0 3 333.388 2.014 10 5 EEBEHN Cc1ccc([C@@H](C)NC(=O)N[C@@H](CN)C(F)(F)F)cc1[N+](=O)[O-] ZINC000594524861 468616312 /nfs/dbraw/zinc/61/63/12/468616312.db2.gz MFPQEUUBFZGJGI-KCJUWKMLSA-N 0 3 334.298 2.153 10 5 EEBEHN C[C@H]1CCN(CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601266318 468805336 /nfs/dbraw/zinc/80/53/36/468805336.db2.gz NJOOHBDDRLQPFD-AWEZNQCLSA-N 0 3 331.416 2.475 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595382519 468833619 /nfs/dbraw/zinc/83/36/19/468833619.db2.gz ULMLPSWILSMFBI-UHFFFAOYSA-N 0 3 343.449 2.302 10 5 EEBEHN COc1cc(CN2CCC[C@@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473050 468866613 /nfs/dbraw/zinc/86/66/13/468866613.db2.gz SWFJVYZLTSZAEY-MRXNPFEDSA-N 0 3 349.431 2.290 10 5 EEBEHN C[C@H](C(=O)Nc1cnn(CCN(C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000612469346 469475515 /nfs/dbraw/zinc/47/55/15/469475515.db2.gz RUFQXTQECXAVJQ-NSHDSACASA-N 0 3 349.366 2.234 10 5 EEBEHN COc1cccc(C(=O)NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000619451629 469611025 /nfs/dbraw/zinc/61/10/25/469611025.db2.gz GVGUNLAEDAYSJV-UHFFFAOYSA-N 0 3 333.388 2.350 10 5 EEBEHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)cn1 ZINC000596424210 485613044 /nfs/dbraw/zinc/61/30/44/485613044.db2.gz RFQWMTQOIMPGPZ-MRXNPFEDSA-N 0 3 328.372 2.169 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000771258577 577612678 /nfs/dbraw/zinc/61/26/78/577612678.db2.gz WYYYRVOLJHCQLR-OLZOCXBDSA-N 0 3 329.397 2.224 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C[C@H](O)c1ccccc1 ZINC000757863071 577865819 /nfs/dbraw/zinc/86/58/19/577865819.db2.gz NESLAZKETHRQEL-WMZOPIPTSA-N 0 3 330.384 2.477 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176251220 677822198 /nfs/dbraw/zinc/82/21/98/677822198.db2.gz VHYISBLKXKTRCQ-NSHDSACASA-N 0 3 341.795 2.089 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001268504411 1183079332 /nfs/dbraw/zinc/07/93/32/1183079332.db2.gz CADHPSZIGHSTEP-UPHRSURJSA-N 0 3 326.356 2.066 10 5 EEBEHN C[C@H](O)[C@@H](O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000865740109 1198353677 /nfs/dbraw/zinc/35/36/77/1198353677.db2.gz BLDVYCFSDDBSBO-UGSOOPFHSA-N 0 3 345.399 2.194 10 5 EEBEHN CCN(CC)CCS(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1F ZINC000810065330 1199254887 /nfs/dbraw/zinc/25/48/87/1199254887.db2.gz RHXINJJZRYNQKO-UHFFFAOYSA-N 0 3 334.369 2.093 10 5 EEBEHN CCn1nccc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001275968269 1205607679 /nfs/dbraw/zinc/60/76/79/1205607679.db2.gz PZRHWUGXTKURGR-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001618683212 1352352185 /nfs/dbraw/zinc/35/21/85/1352352185.db2.gz NARQSJWDNYJCHC-MRXNPFEDSA-N 0 3 328.372 2.210 10 5 EEBEHN Cc1c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594215508 1349875079 /nfs/dbraw/zinc/87/50/79/1349875079.db2.gz WNGOYYOFYKXYTE-ZIAGYGMSSA-N 0 3 348.359 2.120 10 5 EEBEHN C[C@H]1C[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001622828136 1352389306 /nfs/dbraw/zinc/38/93/06/1352389306.db2.gz ZFMQXUIVROULOL-WPRPVWTQSA-N 0 3 338.795 2.185 10 5 EEBEHN Cc1c(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001669027284 1356070439 /nfs/dbraw/zinc/07/04/39/1356070439.db2.gz OVUWTDJZXHFTDG-ARJAWSKDSA-N 0 3 342.399 2.318 10 5 EEBEHN CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000912397630 788158356 /nfs/dbraw/zinc/15/83/56/788158356.db2.gz CJMQCOWHFSKBJV-LLVKDONJSA-N 0 3 340.811 2.387 10 5 EEBEHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCC2)C1 ZINC000912924075 788499250 /nfs/dbraw/zinc/49/92/50/788499250.db2.gz QCXGGDVPIVHCRT-INIZCTEOSA-N 0 3 332.404 2.094 10 5 EEBEHN C[C@H]1[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000921839166 796901883 /nfs/dbraw/zinc/90/18/83/796901883.db2.gz XVKFMHYODWLPHK-GXFFZTMASA-N 0 3 340.811 2.183 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CC(N)=O)CCCCC1 ZINC001176837211 798595592 /nfs/dbraw/zinc/59/55/92/798595592.db2.gz GGKXYCALBPCSTG-UHFFFAOYSA-N 0 3 348.403 2.010 10 5 EEBEHN CCN1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117792397 221089303 /nfs/dbraw/zinc/08/93/03/221089303.db2.gz GTYOATUQPYBNOY-GFCCVEGCSA-N 0 3 325.796 2.391 10 5 EEBEHN CCN(CC)Cc1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000270775210 256170421 /nfs/dbraw/zinc/17/04/21/256170421.db2.gz RKBIQUAZSWCAJM-UHFFFAOYSA-N 0 3 331.376 2.422 10 5 EEBEHN Cn1cc(C[NH2+]Cc2ncccc2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355307323 163139957 /nfs/dbraw/zinc/13/99/57/163139957.db2.gz CRQLGSXOZNTQAU-UHFFFAOYSA-N 0 3 339.355 2.386 10 5 EEBEHN CCOc1ccc([C@@H](C)NC[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000154261484 292519664 /nfs/dbraw/zinc/51/96/64/292519664.db2.gz UBZARJJQLDWTAL-CXAGYDPISA-N 0 3 338.404 2.433 10 5 EEBEHN C[C@H]1COCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000277427359 269154557 /nfs/dbraw/zinc/15/45/57/269154557.db2.gz KKAUMAXZFJCYLV-GXSJLCMTSA-N 0 3 327.768 2.201 10 5 EEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000177028249 276181581 /nfs/dbraw/zinc/18/15/81/276181581.db2.gz ONCJBUXWLFWJKX-AWEZNQCLSA-N 0 3 334.420 2.217 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194740000 277079422 /nfs/dbraw/zinc/07/94/22/277079422.db2.gz FIKIFFPOGUHKBE-HNNXBMFYSA-N 0 3 346.431 2.022 10 5 EEBEHN O=[N+]([O-])c1ccc2ccnc(NC[C@H](O)CN3CCCCC3)c2c1 ZINC000413053556 312777172 /nfs/dbraw/zinc/77/71/72/312777172.db2.gz KBZWPFNQNDYSQI-HNNXBMFYSA-N 0 3 330.388 2.402 10 5 EEBEHN COc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000565231039 319164938 /nfs/dbraw/zinc/16/49/38/319164938.db2.gz YVQLEUYPAQFVRL-CABCVRRESA-N 0 3 348.447 2.066 10 5 EEBEHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)NCc1ccco1 ZINC000128202093 462618895 /nfs/dbraw/zinc/61/88/95/462618895.db2.gz DBSACQOUKRIQPI-ZDUSSCGKSA-N 0 3 331.372 2.415 10 5 EEBEHN CCO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000090554587 462797114 /nfs/dbraw/zinc/79/71/14/462797114.db2.gz SMEUUTOAMLOLON-HZPDHXFCSA-N 0 3 349.431 2.426 10 5 EEBEHN CC(C)N1C[C@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155476957 462898071 /nfs/dbraw/zinc/89/80/71/462898071.db2.gz YUYQNPUSGRABRI-ZANVPECISA-N 0 3 327.331 2.332 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121080254 463076491 /nfs/dbraw/zinc/07/64/91/463076491.db2.gz CQQAIKJKXJTORA-SNVBAGLBSA-N 0 3 342.193 2.133 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000137020730 463272035 /nfs/dbraw/zinc/27/20/35/463272035.db2.gz QIJBHLGBRZQLNE-PBHICJAKSA-N 0 3 342.399 2.457 10 5 EEBEHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000172497237 464093346 /nfs/dbraw/zinc/09/33/46/464093346.db2.gz VRLHXAUAPFWNNP-KRWDZBQOSA-N 0 3 346.431 2.407 10 5 EEBEHN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000183093926 464795620 /nfs/dbraw/zinc/79/56/20/464795620.db2.gz GIRHUKWODRSHBB-ZANVPECISA-N 0 3 327.768 2.344 10 5 EEBEHN CN(C)CC1(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1 ZINC000597092593 468440838 /nfs/dbraw/zinc/44/08/38/468440838.db2.gz ORTIMILLISRCGU-UHFFFAOYSA-N 0 3 341.799 2.436 10 5 EEBEHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCN(C2CC2)C1 ZINC000353326619 465798927 /nfs/dbraw/zinc/79/89/27/465798927.db2.gz CLIUEXHYQVAMIQ-HNNXBMFYSA-N 0 3 333.388 2.130 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302014143 466077929 /nfs/dbraw/zinc/07/79/29/466077929.db2.gz KZORXMPQUBDJEF-AWEZNQCLSA-N 0 3 344.415 2.344 10 5 EEBEHN CC[C@H](CO)N1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302014145 466077961 /nfs/dbraw/zinc/07/79/61/466077961.db2.gz KZORXMPQUBDJEF-CQSZACIVSA-N 0 3 344.415 2.344 10 5 EEBEHN CCOC(=O)c1cccc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000600132688 468469854 /nfs/dbraw/zinc/46/98/54/468469854.db2.gz MRTCQVAZVWTXCX-UHFFFAOYSA-N 0 3 329.356 2.499 10 5 EEBEHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000597205086 468479341 /nfs/dbraw/zinc/47/93/41/468479341.db2.gz LKLWUDJBMNUHRU-MCBXIFIFSA-N 0 3 344.415 2.444 10 5 EEBEHN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000412196723 467037066 /nfs/dbraw/zinc/03/70/66/467037066.db2.gz URFMNXKJPAVSIO-IXDOHACOSA-N 0 3 329.400 2.393 10 5 EEBEHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600473156 468567704 /nfs/dbraw/zinc/56/77/04/468567704.db2.gz SDGFJVZURQHIKA-LBPRGKRZSA-N 0 3 347.371 2.070 10 5 EEBEHN CN(C[C@H]1CCCN(C)C1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601116702 468747855 /nfs/dbraw/zinc/74/78/55/468747855.db2.gz ORDAUGGKTHKZSL-VIFPVBQESA-N 0 3 335.330 2.125 10 5 EEBEHN C[C@H]1C[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN1C ZINC000601119690 468749115 /nfs/dbraw/zinc/74/91/15/468749115.db2.gz VPGXXZXOMFFWQJ-IUCAKERBSA-N 0 3 335.330 2.266 10 5 EEBEHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601128853 468753981 /nfs/dbraw/zinc/75/39/81/468753981.db2.gz DZXLSNAGONFMHJ-VXNVDRBHSA-N 0 3 333.314 2.242 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000593022167 468843241 /nfs/dbraw/zinc/84/32/41/468843241.db2.gz CLWDKBKQDBHLAX-RDJZCZTQSA-N 0 3 334.372 2.429 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]CCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601434949 468871690 /nfs/dbraw/zinc/87/16/90/468871690.db2.gz LPHVIURXFPBZMF-UHFFFAOYSA-N 0 3 347.462 2.117 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]CCCC[N@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601434949 468871695 /nfs/dbraw/zinc/87/16/95/468871695.db2.gz LPHVIURXFPBZMF-UHFFFAOYSA-N 0 3 347.462 2.117 10 5 EEBEHN COc1ccc(OCCN2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595749979 468986449 /nfs/dbraw/zinc/98/64/49/468986449.db2.gz JDLXFLQCTKSRKV-KRWDZBQOSA-N 0 3 336.388 2.219 10 5 EEBEHN O=[N+]([O-])c1c(NCCCN2CCC(O)CC2)ccc2cnccc21 ZINC000599024257 469092148 /nfs/dbraw/zinc/09/21/48/469092148.db2.gz OEQLMRSMLIFMRE-UHFFFAOYSA-N 0 3 330.388 2.402 10 5 EEBEHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595635000 485608604 /nfs/dbraw/zinc/60/86/04/485608604.db2.gz SJRSPPUNBDUCOE-KFNAQCHYSA-N 0 3 348.403 2.127 10 5 EEBEHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC001691017311 1176496916 /nfs/dbraw/zinc/49/69/16/1176496916.db2.gz DCQADCGHVPYTBX-GHMZBOCLSA-N 0 3 331.825 2.005 10 5 EEBEHN Cc1ccc(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001482984798 1187939674 /nfs/dbraw/zinc/93/96/74/1187939674.db2.gz VBYOVGORBCLWGY-NSCUHMNNSA-N 0 3 340.383 2.374 10 5 EEBEHN CC(COC(=O)CCCC(=O)c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000813108100 1201119253 /nfs/dbraw/zinc/11/92/53/1201119253.db2.gz AGIUYIOHNHUHNI-LLVKDONJSA-N 0 3 337.328 2.019 10 5 EEBEHN CC(COC(=O)[C@H](C)Oc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110006 1201120726 /nfs/dbraw/zinc/12/07/26/1201120726.db2.gz YLPXINOJLNZLSN-BDAKNGLRSA-N 0 3 332.150 2.425 10 5 EEBEHN CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000855360834 1293188921 /nfs/dbraw/zinc/18/89/21/1293188921.db2.gz PCBYVIXERDZBAK-NSHDSACASA-N 0 3 343.786 2.482 10 5 EEBEHN CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000855491126 1293229993 /nfs/dbraw/zinc/22/99/93/1293229993.db2.gz OMLBSGQLGLQRDJ-LLVKDONJSA-N 0 3 349.416 2.156 10 5 EEBEHN Cn1nc2c(c1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000819325503 785508404 /nfs/dbraw/zinc/50/84/04/785508404.db2.gz FKSQIXNDSKMFKH-KRWDZBQOSA-N 0 3 330.388 2.030 10 5 EEBEHN O=C(N[C@@]12CCN(C1)CCC2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001175055742 797980092 /nfs/dbraw/zinc/98/00/92/797980092.db2.gz ULBWJDXMNCEXKV-AWEZNQCLSA-N 0 3 327.743 2.355 10 5 EEBEHN Cc1[nH]nc(C(=O)NCCCN(C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001479762178 1098924884 /nfs/dbraw/zinc/92/48/84/1098924884.db2.gz JUXNZRWDWCVTAZ-UHFFFAOYSA-N 0 3 345.403 2.187 10 5 EEBEHN Cc1nc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001479804073 1099041564 /nfs/dbraw/zinc/04/15/64/1099041564.db2.gz PCXGYEHDHJBNBS-UHFFFAOYSA-N 0 3 346.387 2.452 10 5 EEBEHN COC(=O)C[C@](C)(NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC001473732221 1110579429 /nfs/dbraw/zinc/57/94/29/1110579429.db2.gz POADMUFOTAEUOY-KRWDZBQOSA-N 0 3 349.387 2.163 10 5 EEBEHN Cc1c(CC(=O)OC[C@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001526620410 1120554547 /nfs/dbraw/zinc/55/45/47/1120554547.db2.gz LAPPXTMGZZBFFH-MRXNPFEDSA-N 0 3 348.399 2.242 10 5 EEBEHN CC(C)CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCN(C)CC1 ZINC001542938836 1124118127 /nfs/dbraw/zinc/11/81/27/1124118127.db2.gz QEAODHHTAGPVJT-UHFFFAOYSA-N 0 3 343.815 2.164 10 5 EEBEHN C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000174255434 231160876 /nfs/dbraw/zinc/16/08/76/231160876.db2.gz YHFXIGPFELSZAC-XJKSGUPXSA-N 0 3 334.420 2.261 10 5 EEBEHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2CCC[C@@H]2C1 ZINC000178629963 232319900 /nfs/dbraw/zinc/31/99/00/232319900.db2.gz YFBJILHNEXVLDH-SWLSCSKDSA-N 0 3 343.387 2.486 10 5 EEBEHN O=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCCN1 ZINC000037042084 213131214 /nfs/dbraw/zinc/13/12/14/213131214.db2.gz TYUVXAXWYMSSKB-SNVBAGLBSA-N 0 3 328.166 2.438 10 5 EEBEHN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193305677 240101009 /nfs/dbraw/zinc/10/10/09/240101009.db2.gz NXGUMXJAKLNMMY-JTQLQIEISA-N 0 3 349.840 2.352 10 5 EEBEHN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N(C)C)C2)cc1SC ZINC000171303089 533132332 /nfs/dbraw/zinc/13/23/32/533132332.db2.gz VXBACUHDSRBPGT-SNVBAGLBSA-N 0 3 339.417 2.101 10 5 EEBEHN COc1cc(CN2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000352776578 162282310 /nfs/dbraw/zinc/28/23/10/162282310.db2.gz DCMWTMRZDAISLQ-HIFRSBDPSA-N 0 3 325.434 2.081 10 5 EEBEHN O=[N+]([O-])c1ccc(Cl)c(CNCC2(N3CCOCC3)CC2)c1 ZINC000277550553 269161425 /nfs/dbraw/zinc/16/14/25/269161425.db2.gz YRMKANLKJWFSGS-UHFFFAOYSA-N 0 3 325.796 2.203 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000109113650 274857383 /nfs/dbraw/zinc/85/73/83/274857383.db2.gz CCHWXSSINAMPJC-OAHLLOKOSA-N 0 3 340.383 2.431 10 5 EEBEHN CC(C)(C)c1ccc(NC(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415706480 313169559 /nfs/dbraw/zinc/16/95/59/313169559.db2.gz VDGCFFFPKTWSCW-GFCCVEGCSA-N 0 3 336.392 2.002 10 5 EEBEHN CC(C)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)CO ZINC000421408072 314097815 /nfs/dbraw/zinc/09/78/15/314097815.db2.gz KCIXHEMWTWJAJM-HNNXBMFYSA-N 0 3 334.372 2.418 10 5 EEBEHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000548365101 318381569 /nfs/dbraw/zinc/38/15/69/318381569.db2.gz PCKFCHOBOHCNNF-ZDUSSCGKSA-N 0 3 344.415 2.424 10 5 EEBEHN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CN2CCC1CC2 ZINC000347920782 465310553 /nfs/dbraw/zinc/31/05/53/465310553.db2.gz DFCBGRNDAUANFK-MRXNPFEDSA-N 0 3 328.372 2.242 10 5 EEBEHN CN1CCN(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000065568615 462799533 /nfs/dbraw/zinc/79/95/33/462799533.db2.gz AXHQAUIVERWFMR-AWEZNQCLSA-N 0 3 336.411 2.198 10 5 EEBEHN Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H]1CNCCO1 ZINC000094296454 463063793 /nfs/dbraw/zinc/06/37/93/463063793.db2.gz MAJHHWONTVTNHJ-JTQLQIEISA-N 0 3 331.166 2.033 10 5 EEBEHN CCOc1ccc([C@H](C)N[C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180589905 464343873 /nfs/dbraw/zinc/34/38/73/464343873.db2.gz YWSYZZBFHVZWSQ-AAEUAGOBSA-N 0 3 331.376 2.251 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176092055 464696425 /nfs/dbraw/zinc/69/64/25/464696425.db2.gz ASHVQTDVTSBAOU-CQSZACIVSA-N 0 3 342.399 2.080 10 5 EEBEHN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183200863 464820573 /nfs/dbraw/zinc/82/05/73/464820573.db2.gz DGEUGTHINCHQEK-ZANVPECISA-N 0 3 327.768 2.344 10 5 EEBEHN Cn1cc(CN2CC[C@@H]3COC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597231670 468488997 /nfs/dbraw/zinc/48/89/97/468488997.db2.gz PHTKTXASEJQKSV-GDBMZVCRSA-N 0 3 342.399 2.464 10 5 EEBEHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000417844009 466953460 /nfs/dbraw/zinc/95/34/60/466953460.db2.gz HHGAFNWIGNPCMH-GWCFXTLKSA-N 0 3 342.346 2.261 10 5 EEBEHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CNCCC2(F)F)c1 ZINC000414999567 467464726 /nfs/dbraw/zinc/46/47/26/467464726.db2.gz KIENZDDRGQXEOH-NSHDSACASA-N 0 3 337.273 2.283 10 5 EEBEHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000449357530 467633285 /nfs/dbraw/zinc/63/32/85/467633285.db2.gz AXCLKJLRFMUAND-MPYBMCPGSA-N 0 3 331.416 2.403 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCC2(C(F)(F)F)CC2)c1 ZINC000567708007 468190812 /nfs/dbraw/zinc/19/08/12/468190812.db2.gz HHGOVMAWQWHJAZ-NSHDSACASA-N 0 3 334.294 2.267 10 5 EEBEHN COc1cc(C[NH2+]CC2(O)CCC(F)(F)CC2)c([N+](=O)[O-])cc1[O-] ZINC000594999281 468741348 /nfs/dbraw/zinc/74/13/48/468741348.db2.gz BZVGXKDRPMAFNW-UHFFFAOYSA-N 0 3 346.330 2.339 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCSCC2)cc1 ZINC000595032004 468746180 /nfs/dbraw/zinc/74/61/80/468746180.db2.gz KUOPACDFQHMVEA-LBPRGKRZSA-N 0 3 344.458 2.244 10 5 EEBEHN CN(C[C@@H]1CCCN(C)C1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601116701 468748151 /nfs/dbraw/zinc/74/81/51/468748151.db2.gz ORDAUGGKTHKZSL-SECBINFHSA-N 0 3 335.330 2.125 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000571364324 468776716 /nfs/dbraw/zinc/77/67/16/468776716.db2.gz AYSZFPLLKMBLEG-ZFWWWQNUSA-N 0 3 336.779 2.083 10 5 EEBEHN CCCN(C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000595383039 468833672 /nfs/dbraw/zinc/83/36/72/468833672.db2.gz YHOHYIOTQGEVPA-UHFFFAOYSA-N 0 3 343.449 2.302 10 5 EEBEHN Cc1cc(S(=O)(=O)N(C)CC2(N(C)C)CCC2)c([N+](=O)[O-])s1 ZINC000601400764 468858535 /nfs/dbraw/zinc/85/85/35/468858535.db2.gz XHUNNXCTWWPWRA-UHFFFAOYSA-N 0 3 347.462 2.070 10 5 EEBEHN CC(C)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595686433 468955079 /nfs/dbraw/zinc/95/50/79/468955079.db2.gz ZPMBRHNXKITCBD-CZUORRHYSA-N 0 3 336.367 2.278 10 5 EEBEHN CN1CCOC[C@H]1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599004234 469084350 /nfs/dbraw/zinc/08/43/50/469084350.db2.gz RCYYLYRSFJLACP-OAHLLOKOSA-N 0 3 331.372 2.275 10 5 EEBEHN Nc1nc(S[C@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000563440861 469239400 /nfs/dbraw/zinc/23/94/00/469239400.db2.gz NWPGEZUSNYZYLI-LBPRGKRZSA-N 0 3 331.401 2.334 10 5 EEBEHN CO[C@H](CNc1cc(C)nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000596319120 469242428 /nfs/dbraw/zinc/24/24/28/469242428.db2.gz UDQXLNHWYLBOPW-SJKOYZFVSA-N 0 3 331.372 2.337 10 5 EEBEHN CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000596517536 469290564 /nfs/dbraw/zinc/29/05/64/469290564.db2.gz LVRKOTVHWFLHIK-INIZCTEOSA-N 0 3 334.420 2.263 10 5 EEBEHN CC1(N2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000599623138 469313444 /nfs/dbraw/zinc/31/34/44/469313444.db2.gz SORDPFYQINSACY-UHFFFAOYSA-N 0 3 337.395 2.421 10 5 EEBEHN Cc1ccnc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596422179 485612786 /nfs/dbraw/zinc/61/27/86/485612786.db2.gz CEUFEUVMEXDIAR-MRXNPFEDSA-N 0 3 342.399 2.477 10 5 EEBEHN CCN1CCN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153581252 529145556 /nfs/dbraw/zinc/14/55/56/529145556.db2.gz QBVWZPVKYAZRRA-UHFFFAOYSA-N 0 3 327.816 2.083 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ncoc1C1CC1 ZINC001691540956 1187930494 /nfs/dbraw/zinc/93/04/94/1187930494.db2.gz VCKDSSPUWISJGX-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN C[C@H](NCC(C)(C)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020291 1198027138 /nfs/dbraw/zinc/02/71/38/1198027138.db2.gz FJQMEKUXIVYBSW-ZDUSSCGKSA-N 0 3 338.427 2.411 10 5 EEBEHN O=C(CN[C@]12CCC[C@H]1OCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000872312625 1198141439 /nfs/dbraw/zinc/14/14/39/1198141439.db2.gz AZTBONMDMXOPKP-HIFRSBDPSA-N 0 3 339.779 2.488 10 5 EEBEHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(C2CCC2)C1=O ZINC000866397134 1201507404 /nfs/dbraw/zinc/50/74/04/1201507404.db2.gz CXZDBZICZXAZNH-ABAIWWIYSA-N 0 3 335.379 2.408 10 5 EEBEHN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1CCCN(C2CC2)C1=O ZINC000924059802 1205932390 /nfs/dbraw/zinc/93/23/90/1205932390.db2.gz UJJQHJQBRLJQCA-LBPRGKRZSA-N 0 3 336.319 2.178 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC001273948749 1289985573 /nfs/dbraw/zinc/98/55/73/1289985573.db2.gz VENHGTIVFRIFKA-UPHRSURJSA-N 0 3 339.342 2.402 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCN1C1CCOCC1 ZINC001349760685 1337645341 /nfs/dbraw/zinc/64/53/41/1337645341.db2.gz RVGNTIQOLVOVJB-HNNXBMFYSA-N 0 3 334.372 2.313 10 5 EEBEHN C[C@@]1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CN2CCC1CC2 ZINC001640233554 1352707607 /nfs/dbraw/zinc/70/76/07/1352707607.db2.gz DIKYYHKHURBOLX-OAHLLOKOSA-N 0 3 338.795 2.045 10 5 EEBEHN Cc1c(CN2C[C@@]3(CO)CCCC[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC001655791232 1354184804 /nfs/dbraw/zinc/18/48/04/1354184804.db2.gz RJPPLNVKMVQEPT-HDICACEKSA-N 0 3 334.416 2.250 10 5 EEBEHN O=C(CCN[C@@H](CO)c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC001657899367 1354349504 /nfs/dbraw/zinc/34/95/04/1354349504.db2.gz GZJXLCQPRFZRRV-INIZCTEOSA-N 0 3 347.346 2.386 10 5 EEBEHN CN(CCCN(C)C(=O)c1csnn1)Cc1cccc([N+](=O)[O-])c1 ZINC001502358745 1113644516 /nfs/dbraw/zinc/64/45/16/1113644516.db2.gz SPUJLHMLULUGSL-UHFFFAOYSA-N 0 3 349.416 2.040 10 5 EEBEHN CC([C@@H](OC(=O)c1cn(C)ccc1=O)c1ccccc1F)[N+](=O)[O-] ZINC001526032681 1120404745 /nfs/dbraw/zinc/40/47/45/1120404745.db2.gz WEDKDHZZDSIFNY-ZUZCIYMTSA-N 0 3 334.303 2.088 10 5 EEBEHN C[C@](N)(CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440751 214056509 /nfs/dbraw/zinc/05/65/09/214056509.db2.gz WXJLHKDUELNEEU-LBPRGKRZSA-N 0 3 336.175 2.263 10 5 EEBEHN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000068346482 215301576 /nfs/dbraw/zinc/30/15/76/215301576.db2.gz PMHGCJXGAXZICM-UHFFFAOYSA-N 0 3 341.433 2.138 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000153609393 224129887 /nfs/dbraw/zinc/12/98/87/224129887.db2.gz LVNGEWLARZIVRG-NSHDSACASA-N 0 3 342.193 2.133 10 5 EEBEHN COC(=O)c1cc(N2CCN(CC3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000267940258 256098524 /nfs/dbraw/zinc/09/85/24/256098524.db2.gz IJGDLXNCTYUBST-UHFFFAOYSA-N 0 3 333.388 2.222 10 5 EEBEHN COCCN1CCC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342079387 161037697 /nfs/dbraw/zinc/03/76/97/161037697.db2.gz SCAKGTGRIIEFQT-SNVBAGLBSA-N 0 3 337.405 2.122 10 5 EEBEHN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCN(C2CC2)C1 ZINC000342098279 161039377 /nfs/dbraw/zinc/03/93/77/161039377.db2.gz FMDOZVQLOABYTF-LLVKDONJSA-N 0 3 339.342 2.111 10 5 EEBEHN O=[N+]([O-])c1ccc(NC[C@]2(O)CCN(Cc3ccccc3)C2)cn1 ZINC000355722726 163281146 /nfs/dbraw/zinc/28/11/46/163281146.db2.gz RDDBZLBRNDPPJC-QGZVFWFLSA-N 0 3 328.372 2.039 10 5 EEBEHN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1CN1CCOCC1 ZINC000369144970 166198638 /nfs/dbraw/zinc/19/86/38/166198638.db2.gz RMAFIASVVOGNMS-MRXNPFEDSA-N 0 3 349.431 2.160 10 5 EEBEHN CC[C@H](CO)N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272786308 269020621 /nfs/dbraw/zinc/02/06/21/269020621.db2.gz BGWFFXMQSVFWLT-CQSZACIVSA-N 0 3 344.415 2.344 10 5 EEBEHN COC(=O)CC1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000280426608 269361404 /nfs/dbraw/zinc/36/14/04/269361404.db2.gz MEFKKKFKYHTSOV-UHFFFAOYSA-N 0 3 349.387 2.307 10 5 EEBEHN C[C@@H]1CN(CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000278600484 274381075 /nfs/dbraw/zinc/38/10/75/274381075.db2.gz ZMLKNYHOYGNYOG-GFCCVEGCSA-N 0 3 333.392 2.384 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000171024082 311399979 /nfs/dbraw/zinc/39/99/79/311399979.db2.gz TXUAVAQXWIIMTA-OAHLLOKOSA-N 0 3 342.399 2.201 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(CN(C)C)ccc2OC)n1 ZINC000580988329 324162230 /nfs/dbraw/zinc/16/22/30/324162230.db2.gz XIJHVFSJBCIFGF-UHFFFAOYSA-N 0 3 347.375 2.134 10 5 EEBEHN CN(C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125863915 463586534 /nfs/dbraw/zinc/58/65/34/463586534.db2.gz KSNWHZAWBNVJJP-YPMHNXCESA-N 0 3 341.433 2.283 10 5 EEBEHN Cc1c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000113227388 462577534 /nfs/dbraw/zinc/57/75/34/462577534.db2.gz ORNCJAOHDDJGPW-CMPLNLGQSA-N 0 3 348.359 2.120 10 5 EEBEHN C[C@H]1C[C@H](C)CN(CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)C1 ZINC000521395206 468308992 /nfs/dbraw/zinc/30/89/92/468308992.db2.gz ZNVFGGYZYGJSJI-STQMWFEESA-N 0 3 330.388 2.283 10 5 EEBEHN Cc1[n-]nc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000064354573 462698456 /nfs/dbraw/zinc/69/84/56/462698456.db2.gz JWBLOKJLVDHOOR-UHFFFAOYSA-N 0 3 329.360 2.474 10 5 EEBEHN NC[C@H]1c2ccccc2CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000522002412 468347775 /nfs/dbraw/zinc/34/77/75/468347775.db2.gz VFAVTTKANNXMFV-KRWDZBQOSA-N 0 3 341.367 2.058 10 5 EEBEHN COc1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000359566049 465458848 /nfs/dbraw/zinc/45/88/48/465458848.db2.gz QCFVLPPQFRYYAB-AWEZNQCLSA-N 0 3 333.388 2.221 10 5 EEBEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282432822 464817873 /nfs/dbraw/zinc/81/78/73/464817873.db2.gz RLRWAOQMMMENHL-LDYMZIIASA-N 0 3 342.193 2.114 10 5 EEBEHN Cc1ccc(N2CCCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000363113492 466227794 /nfs/dbraw/zinc/22/77/94/466227794.db2.gz GBLKMPYSUKOXJU-UHFFFAOYSA-N 0 3 329.404 2.312 10 5 EEBEHN COc1ccc(CNCC2(O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000377769551 467137401 /nfs/dbraw/zinc/13/74/01/467137401.db2.gz MAVULPQLUZCOHS-UHFFFAOYSA-N 0 3 328.368 2.223 10 5 EEBEHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)CN1CCCC1 ZINC000452095918 467321058 /nfs/dbraw/zinc/32/10/58/467321058.db2.gz MLBSPCUKZFSSKS-UHFFFAOYSA-N 0 3 334.420 2.306 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590444372 468258056 /nfs/dbraw/zinc/25/80/56/468258056.db2.gz LBZZUUIRFMQIAJ-XHDPSFHLSA-N 0 3 335.379 2.174 10 5 EEBEHN COc1ccc(CC(=O)NC[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474049 468568616 /nfs/dbraw/zinc/56/86/16/468568616.db2.gz WMCIXWHFXUCLHE-OAHLLOKOSA-N 0 3 347.415 2.279 10 5 EEBEHN NC[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000594525853 468616028 /nfs/dbraw/zinc/61/60/28/468616028.db2.gz XDVGIMODBZGHGW-GFCCVEGCSA-N 0 3 346.309 2.158 10 5 EEBEHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)[C@H](CO)C2CCC2)c1 ZINC000592139531 468634095 /nfs/dbraw/zinc/63/40/95/468634095.db2.gz LUCVDJXUBCLAMJ-GOSISDBHSA-N 0 3 344.415 2.455 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H](C)N1 ZINC000598532178 468903137 /nfs/dbraw/zinc/90/31/37/468903137.db2.gz SWZNELQIYVRIPO-WCQYABFASA-N 0 3 343.387 2.197 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H](CCF)C2)c1 ZINC000595754413 468990019 /nfs/dbraw/zinc/99/00/19/468990019.db2.gz BCYRXULMMBBCQO-DZGCQCFKSA-N 0 3 326.368 2.406 10 5 EEBEHN COc1cc(CN(CCN2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000595808078 469022481 /nfs/dbraw/zinc/02/24/81/469022481.db2.gz KZQJGJFPIVVTMC-UHFFFAOYSA-N 0 3 349.431 2.148 10 5 EEBEHN COc1ccc(NC(=O)Nc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000611825622 469329901 /nfs/dbraw/zinc/32/99/01/469329901.db2.gz ADFAOTTYTBAIMA-UHFFFAOYSA-N 0 3 348.363 2.006 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829351 469385929 /nfs/dbraw/zinc/38/59/29/469385929.db2.gz FZCOTUBCOKEZMB-NSHDSACASA-N 0 3 329.360 2.359 10 5 EEBEHN C[C@@H]1CC[C@](CO)(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187909854 534264191 /nfs/dbraw/zinc/26/41/91/534264191.db2.gz QOFGSXMMVXXDEG-PXAZEXFGSA-N 0 3 336.388 2.444 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]([C@H]3CCCO3)C1)OCCO2 ZINC000895842860 684740838 /nfs/dbraw/zinc/74/08/38/684740838.db2.gz GDXPPLYFXCMIKD-IUODEOHRSA-N 0 3 334.372 2.367 10 5 EEBEHN Cc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1[N+](=O)[O-] ZINC000870962730 1200978770 /nfs/dbraw/zinc/97/87/70/1200978770.db2.gz ODNNKKGHFLJLEI-MRXNPFEDSA-N 0 3 325.368 2.406 10 5 EEBEHN Cc1cc(C(=O)N(C)CCCN(C)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001327186978 1334242568 /nfs/dbraw/zinc/24/25/68/1334242568.db2.gz FMJOIZFKMGQCJW-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN Cc1cc(C(=O)N(C)CCCN(C)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001327186978 1334242574 /nfs/dbraw/zinc/24/25/74/1334242574.db2.gz FMJOIZFKMGQCJW-UHFFFAOYSA-N 0 3 345.403 2.220 10 5 EEBEHN COCCN(C)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559090396 1342497349 /nfs/dbraw/zinc/49/73/49/1342497349.db2.gz XMTVSTUKIYINHT-UHFFFAOYSA-N 0 3 338.795 2.208 10 5 EEBEHN COCCC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001570049461 1343004475 /nfs/dbraw/zinc/00/44/75/1343004475.db2.gz NUJYNVMCDHSKDT-UHFFFAOYSA-N 0 3 347.415 2.056 10 5 EEBEHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(F)cc1 ZINC001638246654 1352686060 /nfs/dbraw/zinc/68/60/60/1352686060.db2.gz NOPSXIKAZWVXDX-MRXNPFEDSA-N 0 3 346.362 2.349 10 5 EEBEHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001651332521 1354049107 /nfs/dbraw/zinc/04/91/07/1354049107.db2.gz ZQCKAAMCPILMNY-OCCSQVGLSA-N 0 3 342.403 2.290 10 5 EEBEHN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3CCN(C)[C@H]3C2)cc1C ZINC001655496174 1354175174 /nfs/dbraw/zinc/17/51/74/1354175174.db2.gz BNWFRMGEVQIWAS-WBMJQRKESA-N 0 3 333.388 2.220 10 5 EEBEHN CCOCC(=O)NCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001666351040 1355515360 /nfs/dbraw/zinc/51/53/60/1355515360.db2.gz OXMCGNJZKFOXDB-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN CC/C=C/CCN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171510804 796623095 /nfs/dbraw/zinc/62/30/95/796623095.db2.gz LFCOLNHTFRLFIB-SNAWJCMRSA-N 0 3 341.433 2.161 10 5 EEBEHN COC(=O)[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001460814588 1110325133 /nfs/dbraw/zinc/32/51/33/1110325133.db2.gz DQIHYTAANGTEEE-CHWSQXEVSA-N 0 3 349.387 2.197 10 5 EEBEHN Cn1cncc1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001460962837 1110330031 /nfs/dbraw/zinc/33/00/31/1110330031.db2.gz IEPVNJMPIKHOJB-QGZVFWFLSA-N 0 3 330.388 2.241 10 5 EEBEHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccc(=O)[nH]1 ZINC001473825341 1110581572 /nfs/dbraw/zinc/58/15/72/1110581572.db2.gz NTQOLPGPCCUKRX-UHFFFAOYSA-N 0 3 330.344 2.156 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(CC)c1 ZINC001568732404 1124746306 /nfs/dbraw/zinc/74/63/06/1124746306.db2.gz SWEOSPUWDNPHIQ-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000175036688 529406580 /nfs/dbraw/zinc/40/65/80/529406580.db2.gz ZNMTUQTYGUWATN-ZIAGYGMSSA-N 0 3 333.388 2.302 10 5 EEBEHN CN1CCC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000125347789 292295814 /nfs/dbraw/zinc/29/58/14/292295814.db2.gz WSPTVWGGYZXCQV-ZDUSSCGKSA-N 0 3 332.404 2.004 10 5 EEBEHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000246294359 160272043 /nfs/dbraw/zinc/27/20/43/160272043.db2.gz NMPHWZDWPWLMPN-BBRMVZONSA-N 0 3 346.431 2.217 10 5 EEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000247081893 160309745 /nfs/dbraw/zinc/30/97/45/160309745.db2.gz ZNMTUQTYGUWATN-KBPBESRZSA-N 0 3 333.388 2.302 10 5 EEBEHN CN(C)C1(CN(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000343744810 161164403 /nfs/dbraw/zinc/16/44/03/161164403.db2.gz MINFZZYUHYZOOK-UHFFFAOYSA-N 0 3 341.358 2.358 10 5 EEBEHN COC(=O)c1cc(C)nc(N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000288158365 275030140 /nfs/dbraw/zinc/03/01/40/275030140.db2.gz ZNAPGVCXKPDWTB-UHFFFAOYSA-N 0 3 336.392 2.005 10 5 EEBEHN O=[N+]([O-])c1cc(Br)cnc1N1CCN2CCC[C@H]2C1 ZINC000246465664 275032894 /nfs/dbraw/zinc/03/28/94/275032894.db2.gz KABDBJRQAPNLNH-JTQLQIEISA-N 0 3 327.182 2.037 10 5 EEBEHN O=[N+]([O-])c1cc(CN[C@@H](C2CC2)C2(CO)CCOCC2)cs1 ZINC000293851423 293310578 /nfs/dbraw/zinc/31/05/78/293310578.db2.gz BOSBWTYSORSADW-AWEZNQCLSA-N 0 3 326.418 2.314 10 5 EEBEHN C[C@@H](CN1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301093100 294820956 /nfs/dbraw/zinc/82/09/56/294820956.db2.gz LXBLFPYXJYUZDM-NSHDSACASA-N 0 3 334.376 2.212 10 5 EEBEHN C[C@H]1COC2(CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000075143594 462686428 /nfs/dbraw/zinc/68/64/28/462686428.db2.gz ACALTWDBGVIESM-ZDUSSCGKSA-N 0 3 349.387 2.151 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(NC2CCN(CCN(C)C)CC2)c1 ZINC000080594979 463335071 /nfs/dbraw/zinc/33/50/71/463335071.db2.gz SRSXRPWBQVPUID-UHFFFAOYSA-N 0 3 340.399 2.180 10 5 EEBEHN CCn1cnnc1[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000161343293 463422934 /nfs/dbraw/zinc/42/29/34/463422934.db2.gz IXKHQLKBIGVSHB-CQSZACIVSA-N 0 3 345.403 2.465 10 5 EEBEHN CCOc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177115323 464935317 /nfs/dbraw/zinc/93/53/17/464935317.db2.gz KVJQFCFCDPFLIY-YPMHNXCESA-N 0 3 333.388 2.349 10 5 EEBEHN Cc1ccc(C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)cn1 ZINC000371736826 465971766 /nfs/dbraw/zinc/97/17/66/465971766.db2.gz YZVCAUMGJLTAPJ-UHFFFAOYSA-N 0 3 342.399 2.340 10 5 EEBEHN Cc1ccnc(N2CC[C@H](OCCN3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301752661 466024221 /nfs/dbraw/zinc/02/42/21/466024221.db2.gz VRKGOUDYOUSIKN-HNNXBMFYSA-N 0 3 334.420 2.379 10 5 EEBEHN Nc1nccc([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990997 466059511 /nfs/dbraw/zinc/05/95/11/466059511.db2.gz WBUTXGSRMSWVAF-ZDUSSCGKSA-N 0 3 343.387 2.225 10 5 EEBEHN CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000347016367 466322006 /nfs/dbraw/zinc/32/20/06/466322006.db2.gz WBWXJQNGTPWKGS-AWEZNQCLSA-N 0 3 333.388 2.059 10 5 EEBEHN CN(C)CC(C)(C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457216670 467779867 /nfs/dbraw/zinc/77/98/67/467779867.db2.gz DJIHVBQQGTXVEY-UHFFFAOYSA-N 0 3 331.319 2.266 10 5 EEBEHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000600474099 468568688 /nfs/dbraw/zinc/56/86/88/468568688.db2.gz WYXSWPIIOMBWCN-ZDUSSCGKSA-N 0 3 333.388 2.350 10 5 EEBEHN O=[N+]([O-])c1ccccc1CN(CCc1cn[nH]n1)[C@H]1CC[C@H](O)CC1 ZINC000595564575 468904422 /nfs/dbraw/zinc/90/44/22/468904422.db2.gz ZYTPPVPQLOAOFG-WKILWMFISA-N 0 3 345.403 2.061 10 5 EEBEHN COC(=O)c1ccnc(N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598636060 468940834 /nfs/dbraw/zinc/94/08/34/468940834.db2.gz CDSIVZVSWLNBPN-LBPRGKRZSA-N 0 3 336.392 2.309 10 5 EEBEHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593480322 469000139 /nfs/dbraw/zinc/00/01/39/469000139.db2.gz SZDBXOMCKTXMCH-QWHCGFSZSA-N 0 3 330.388 2.034 10 5 EEBEHN CC(C)NC(=O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595851802 469045769 /nfs/dbraw/zinc/04/57/69/469045769.db2.gz UAZPGTWPCUJKAJ-CQSZACIVSA-N 0 3 335.404 2.210 10 5 EEBEHN Nc1ccnc2c1CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)CC2 ZINC000598940837 469058995 /nfs/dbraw/zinc/05/89/95/469058995.db2.gz AQMVDBBAVTUWSG-UHFFFAOYSA-N 0 3 325.372 2.409 10 5 EEBEHN Cn1c2cc(NC[C@H]3CCN3C(C)(C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596309476 469239613 /nfs/dbraw/zinc/23/96/13/469239613.db2.gz SEEVDBRVFJCKIL-LLVKDONJSA-N 0 3 347.419 2.070 10 5 EEBEHN Cn1nnnc1CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611520707 469271130 /nfs/dbraw/zinc/27/11/30/469271130.db2.gz ZXISJPGHFFNOID-QGZVFWFLSA-N 0 3 338.371 2.040 10 5 EEBEHN Cn1nnnc1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611520706 469271194 /nfs/dbraw/zinc/27/11/94/469271194.db2.gz ZXISJPGHFFNOID-KRWDZBQOSA-N 0 3 338.371 2.040 10 5 EEBEHN CCOc1ccc([C@@H](C)NC[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152724789 528595326 /nfs/dbraw/zinc/59/53/26/528595326.db2.gz WTSZUAPFRDESHG-UONOGXRCSA-N 0 3 337.420 2.365 10 5 EEBEHN C[C@H](NCC1CCS(=O)(=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052223 1198035926 /nfs/dbraw/zinc/03/59/26/1198035926.db2.gz RIEYEFIOQIDJMY-JTQLQIEISA-N 0 3 330.381 2.209 10 5 EEBEHN Cc1ccc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1[N+](=O)[O-] ZINC000927646399 1206285899 /nfs/dbraw/zinc/28/58/99/1206285899.db2.gz VDWLTADPFXBPTN-HNNXBMFYSA-N 0 3 348.403 2.278 10 5 EEBEHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCN1C ZINC000928448914 1206385947 /nfs/dbraw/zinc/38/59/47/1206385947.db2.gz DRYRDJVPGDBPRB-CJNGLKHVSA-N 0 3 346.431 2.408 10 5 EEBEHN Cc1c(CONC(=N)[C@@H]2CN(C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000779651470 1210714087 /nfs/dbraw/zinc/71/40/87/1210714087.db2.gz DBDXQGHNAIUTOU-HNNXBMFYSA-N 0 3 336.392 2.011 10 5 EEBEHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[S@](=O)CC(F)(F)F ZINC000850495315 1277245784 /nfs/dbraw/zinc/24/57/84/1277245784.db2.gz ZRNZVCHYGWAVIT-XFNZEKPQSA-N 0 3 336.335 2.483 10 5 EEBEHN CC(COC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)[N+](=O)[O-] ZINC000851036147 1277447505 /nfs/dbraw/zinc/44/75/05/1277447505.db2.gz DPRXNBAMMLAHLU-JSGCOSHPSA-N 0 3 342.351 2.415 10 5 EEBEHN COc1ccc(C(=O)NCCCN(C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001265942444 1323505436 /nfs/dbraw/zinc/50/54/36/1323505436.db2.gz FRUHWFDLQPMWTA-UHFFFAOYSA-N 0 3 347.371 2.448 10 5 EEBEHN Cc1ncccc1C(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001321220494 1333047334 /nfs/dbraw/zinc/04/73/34/1333047334.db2.gz LJPFZHCIVXSEJC-NSCUHMNNSA-N 0 3 340.383 2.374 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1([C@@H]2CCCO2)CCC1 ZINC001655886853 1354188735 /nfs/dbraw/zinc/18/87/35/1354188735.db2.gz UFSKJPZZSKICAO-HNNXBMFYSA-N 0 3 349.387 2.233 10 5 EEBEHN CCN(CCCNC(=O)c1ccncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001660605273 1354498953 /nfs/dbraw/zinc/49/89/53/1354498953.db2.gz FVWYNPVYFHUBSE-UHFFFAOYSA-N 0 3 343.387 2.027 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000921419985 773348985 /nfs/dbraw/zinc/34/89/85/773348985.db2.gz QNRMHCJZAWMAGA-ZANVPECISA-N 0 3 326.784 2.140 10 5 EEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245519777 160239393 /nfs/dbraw/zinc/23/93/93/160239393.db2.gz IYGUHCJRHUMMBJ-STQMWFEESA-N 0 3 347.371 2.022 10 5 EEBEHN CCCc1n[nH]c(C(=O)NC2CC(N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000376590424 167356258 /nfs/dbraw/zinc/35/62/58/167356258.db2.gz OYZCKEXMASBENW-UHFFFAOYSA-N 0 3 335.408 2.017 10 5 EEBEHN CC(C)N(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)CO ZINC000421412701 314099295 /nfs/dbraw/zinc/09/92/95/314099295.db2.gz UMUSRDGYFLDNJP-CYBMUJFWSA-N 0 3 334.372 2.418 10 5 EEBEHN CC(C)[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000558577665 318717030 /nfs/dbraw/zinc/71/70/30/318717030.db2.gz ZAOLENRRITVFOV-MRXNPFEDSA-N 0 3 332.404 2.321 10 5 EEBEHN COc1ccc(CC(=O)NCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000067907074 463066534 /nfs/dbraw/zinc/06/65/34/463066534.db2.gz QFBMOLXWNFLTRH-ZDUSSCGKSA-N 0 3 335.404 2.137 10 5 EEBEHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCCO1 ZINC000185191040 463774394 /nfs/dbraw/zinc/77/43/94/463774394.db2.gz CTFDEUMHLIFMLL-LBPRGKRZSA-N 0 3 325.340 2.173 10 5 EEBEHN CN(C)C[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263912756 464237482 /nfs/dbraw/zinc/23/74/82/464237482.db2.gz KKKKVOHADODWDN-INIZCTEOSA-N 0 3 334.420 2.340 10 5 EEBEHN CC1(C)OCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295246588 464760841 /nfs/dbraw/zinc/76/08/41/464760841.db2.gz PXUWWZIJYXOKKL-GFCCVEGCSA-N 0 3 327.768 2.344 10 5 EEBEHN CCOc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000347020288 466327225 /nfs/dbraw/zinc/32/72/25/466327225.db2.gz UCCPYUBTWIWZDG-AWEZNQCLSA-N 0 3 333.388 2.302 10 5 EEBEHN Cc1ncccc1OC[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000419400567 467195125 /nfs/dbraw/zinc/19/51/25/467195125.db2.gz MQONSXYTPCFNDK-AWEZNQCLSA-N 0 3 331.376 2.038 10 5 EEBEHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000449433986 467644679 /nfs/dbraw/zinc/64/46/79/467644679.db2.gz OSSJYPCGMWDPQM-CTTNJFNCSA-N 0 3 332.400 2.470 10 5 EEBEHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883231 468082878 /nfs/dbraw/zinc/08/28/78/468082878.db2.gz LOPYRBAJDKIKQN-UHFFFAOYSA-N 0 3 346.362 2.333 10 5 EEBEHN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCN1C1CCCC1 ZINC000600469376 468565941 /nfs/dbraw/zinc/56/59/41/468565941.db2.gz AJAUJMVIMFLMPQ-OAHLLOKOSA-N 0 3 333.388 2.107 10 5 EEBEHN CC[C@H]1CN(C)CCCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601188090 468774981 /nfs/dbraw/zinc/77/49/81/468774981.db2.gz BLNQCNLPFFBRQI-VIFPVBQESA-N 0 3 335.330 2.268 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)CN2CCCC2)c1 ZINC000593032247 468845665 /nfs/dbraw/zinc/84/56/65/468845665.db2.gz OXICZJKSHGZBSF-UHFFFAOYSA-N 0 3 335.404 2.345 10 5 EEBEHN COCC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595910068 469077013 /nfs/dbraw/zinc/07/70/13/469077013.db2.gz PYQOVUGPYFVJNX-UHFFFAOYSA-N 0 3 335.404 2.497 10 5 EEBEHN COC[C@@H]1C[C@@H](O)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593673409 469089379 /nfs/dbraw/zinc/08/93/79/469089379.db2.gz XENZSHZHNHHQOD-LSDHHAIUSA-N 0 3 332.356 2.436 10 5 EEBEHN COC(=O)CCCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589190402 469209157 /nfs/dbraw/zinc/20/91/57/469209157.db2.gz JQPHDZIIGJUEIP-UHFFFAOYSA-N 0 3 338.360 2.189 10 5 EEBEHN O=[N+]([O-])c1cccnc1NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000596422886 485612768 /nfs/dbraw/zinc/61/27/68/485612768.db2.gz JEDNOTLILRUAOU-HNNXBMFYSA-N 0 3 328.372 2.169 10 5 EEBEHN Cc1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000730841337 577062012 /nfs/dbraw/zinc/06/20/12/577062012.db2.gz IHKFYFXFOFNXOL-BETUJISGSA-N 0 3 334.420 2.478 10 5 EEBEHN Cc1cncc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001266667068 1177097930 /nfs/dbraw/zinc/09/79/30/1177097930.db2.gz OIOQWEQOMQIWGT-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN CCc1ccnc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001481233320 1180369086 /nfs/dbraw/zinc/36/90/86/1180369086.db2.gz BJSVRMYLLAPXCC-UHFFFAOYSA-N 0 3 342.399 2.414 10 5 EEBEHN COc1ccc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001268889732 1183794868 /nfs/dbraw/zinc/79/48/68/1183794868.db2.gz WDPAQOHSDPTQBO-UHFFFAOYSA-N 0 3 347.371 2.448 10 5 EEBEHN CCc1cc(C(=O)N(CC)CCNCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001273273831 1197942044 /nfs/dbraw/zinc/94/20/44/1197942044.db2.gz GYDBMJFBJJRTOZ-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1[nH]ccc1C ZINC001273355974 1198283666 /nfs/dbraw/zinc/28/36/66/1198283666.db2.gz QSMJAMDUUXFZQZ-UHFFFAOYSA-N 0 3 330.388 2.483 10 5 EEBEHN CC(COC(=O)Cc1ccc(I)cc1)[N+](=O)[O-] ZINC000813108770 1201120273 /nfs/dbraw/zinc/12/02/73/1201120273.db2.gz LPTWEHKGXUOKAY-MRVPVSSYSA-N 0 3 349.124 2.042 10 5 EEBEHN CC(COC(=O)Cc1ccc(I)cc1)[N+](=O)[O-] ZINC000813108772 1201120452 /nfs/dbraw/zinc/12/04/52/1201120452.db2.gz LPTWEHKGXUOKAY-QMMMGPOBSA-N 0 3 349.124 2.042 10 5 EEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927646794 1206285983 /nfs/dbraw/zinc/28/59/83/1206285983.db2.gz YKVOUNHWVGWZDB-OAHLLOKOSA-N 0 3 348.403 2.278 10 5 EEBEHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000861345153 1295348881 /nfs/dbraw/zinc/34/88/81/1295348881.db2.gz ZLSBKKPSGAASKX-SJCJKPOMSA-N 0 3 347.371 2.342 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001123864393 1310740683 /nfs/dbraw/zinc/74/06/83/1310740683.db2.gz YFKNINGXBFUDEE-IRXDYDNUSA-N 0 3 347.415 2.011 10 5 EEBEHN CN(CCCNC(=O)CC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316816552 1331845506 /nfs/dbraw/zinc/84/55/06/1331845506.db2.gz POLUGPXOTUPXST-UHFFFAOYSA-N 0 3 349.431 2.350 10 5 EEBEHN COCC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001317080787 1332072266 /nfs/dbraw/zinc/07/22/66/1332072266.db2.gz JBGDRLIOZRAZPY-SHTZXODSSA-N 0 3 347.415 2.148 10 5 EEBEHN CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC001597315011 1349922264 /nfs/dbraw/zinc/92/22/64/1349922264.db2.gz WRHCTEPQBZFBIR-CQSZACIVSA-N 0 3 328.372 2.213 10 5 EEBEHN CC[C@H](C)N[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccco1 ZINC001638679777 1352690618 /nfs/dbraw/zinc/69/06/18/1352690618.db2.gz FVXTZRXEAGABEV-JQWIXIFHSA-N 0 3 347.375 2.024 10 5 EEBEHN CC(COC(=O)C1(Cc2cccc(F)c2)CCOCC1)[N+](=O)[O-] ZINC000816090864 783664510 /nfs/dbraw/zinc/66/45/10/783664510.db2.gz APZAEDOAXHTKSC-GFCCVEGCSA-N 0 3 325.336 2.373 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CCn4ccnc43)CC2)cc1 ZINC000824527443 788202867 /nfs/dbraw/zinc/20/28/67/788202867.db2.gz WCFJQMHJUYHIJZ-INIZCTEOSA-N 0 3 327.388 2.495 10 5 EEBEHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913815952 794320469 /nfs/dbraw/zinc/32/04/69/794320469.db2.gz VZEMXENZGPNFNE-NWDGAFQWSA-N 0 3 338.795 2.139 10 5 EEBEHN Cn1cc(CNCCc2ccc([N+](=O)[O-])cc2)c(Br)n1 ZINC000712401676 794507392 /nfs/dbraw/zinc/50/73/92/794507392.db2.gz PUJOZUXXGHAOKL-UHFFFAOYSA-N 0 3 339.193 2.423 10 5 EEBEHN COC(=O)C[C@@](C)(NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC001175522590 798144293 /nfs/dbraw/zinc/14/42/93/798144293.db2.gz JKQWIVXDRPLFKU-QGZVFWFLSA-N 0 3 349.387 2.163 10 5 EEBEHN CN1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC001178707850 799598233 /nfs/dbraw/zinc/59/82/33/799598233.db2.gz ANSVGCRSSWMEEW-OAHLLOKOSA-N 0 3 330.388 2.006 10 5 EEBEHN CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793608076 810431318 /nfs/dbraw/zinc/43/13/18/810431318.db2.gz HPBNMLIFDBHCHU-FZMZJTMJSA-N 0 3 330.812 2.496 10 5 EEBEHN Cc1cc(C(=O)NCC2(NCc3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 ZINC001501921238 1113524676 /nfs/dbraw/zinc/52/46/76/1113524676.db2.gz RSWQGDJPOJBLLW-UHFFFAOYSA-N 0 3 343.387 2.069 10 5 EEBEHN O=C(N[C@@]12CCN(C1)CCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001535435172 1123553258 /nfs/dbraw/zinc/55/32/58/1123553258.db2.gz RDZUJRLAOQNQBW-KRWDZBQOSA-N 0 3 330.388 2.137 10 5 EEBEHN CCN[C@@](C)(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440670 214057429 /nfs/dbraw/zinc/05/74/29/214057429.db2.gz UMEXTKYPHCURQT-LBPRGKRZSA-N 0 3 336.175 2.134 10 5 EEBEHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000054131640 214217919 /nfs/dbraw/zinc/21/79/19/214217919.db2.gz SSLRRGCZRQBGHP-UHFFFAOYSA-N 0 3 330.182 2.039 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000183327650 235010302 /nfs/dbraw/zinc/01/03/02/235010302.db2.gz YTATZAQRLFIOSX-MRXNPFEDSA-N 0 3 333.432 2.447 10 5 EEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000128956539 292349759 /nfs/dbraw/zinc/34/97/59/292349759.db2.gz JABMGCYQCYCQFZ-LLVKDONJSA-N 0 3 326.372 2.022 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CCN(C2CC2)CC1 ZINC000131535584 292389198 /nfs/dbraw/zinc/38/91/98/292389198.db2.gz QQLACQAQWORABC-UHFFFAOYSA-N 0 3 333.388 2.025 10 5 EEBEHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000246306912 160273021 /nfs/dbraw/zinc/27/30/21/160273021.db2.gz QIJBHLGBRZQLNE-RHSMWYFYSA-N 0 3 342.399 2.457 10 5 EEBEHN CC(C)[C@](C)(CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352905310 162339505 /nfs/dbraw/zinc/33/95/05/162339505.db2.gz BHUPCRNRGFTQHQ-AWEZNQCLSA-N 0 3 329.784 2.183 10 5 EEBEHN Cc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000261623574 274753505 /nfs/dbraw/zinc/75/35/05/274753505.db2.gz GIXDVEDXRWTTOJ-HACGYAERSA-N 0 3 333.388 2.374 10 5 EEBEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298927291 294618461 /nfs/dbraw/zinc/61/84/61/294618461.db2.gz GRVMOJHCDYMCRZ-INIZCTEOSA-N 0 3 327.384 2.498 10 5 EEBEHN Cc1cc(NC[C@@H]2CCN(C)C(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000425268243 314369215 /nfs/dbraw/zinc/36/92/15/314369215.db2.gz ONIMMIIKRRUDLV-GFCCVEGCSA-N 0 3 328.372 2.154 10 5 EEBEHN COc1ccc(OCCN(C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000441380306 315183621 /nfs/dbraw/zinc/18/36/21/315183621.db2.gz FREJESIIDPDOSP-CQSZACIVSA-N 0 3 335.404 2.151 10 5 EEBEHN COc1cccc([N+](=O)[O-])c1N1CCC(CN2CCOCC2)CC1 ZINC000564239659 319074409 /nfs/dbraw/zinc/07/44/09/319074409.db2.gz KNWVTJKOACVRFK-UHFFFAOYSA-N 0 3 335.404 2.152 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574480041 320028830 /nfs/dbraw/zinc/02/88/30/320028830.db2.gz GGCPSUURAJDIIC-AWEZNQCLSA-N 0 3 345.403 2.012 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000047142986 462748438 /nfs/dbraw/zinc/74/84/38/462748438.db2.gz VBJXZWWUTJYTOP-CQSZACIVSA-N 0 3 334.420 2.387 10 5 EEBEHN CN(C)[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120857833 463047418 /nfs/dbraw/zinc/04/74/18/463047418.db2.gz SZMOSAAJJJBKID-MRXNPFEDSA-N 0 3 334.420 2.263 10 5 EEBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](CN(C)C)C1 ZINC000105924173 463499246 /nfs/dbraw/zinc/49/92/46/463499246.db2.gz GQPLHCXGMOMZNO-INIZCTEOSA-N 0 3 337.420 2.144 10 5 EEBEHN COCCN1CCC(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185443896 463825290 /nfs/dbraw/zinc/82/52/90/463825290.db2.gz FNXPZCZGDBUXGN-BUHFOSPRSA-N 0 3 347.415 2.225 10 5 EEBEHN CCNC(=O)C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000284770829 464333621 /nfs/dbraw/zinc/33/36/21/464333621.db2.gz MPMFKERZRHURPR-CQSZACIVSA-N 0 3 335.404 2.354 10 5 EEBEHN CCOc1ccc([C@H](C)N[C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180589865 464343486 /nfs/dbraw/zinc/34/34/86/464343486.db2.gz YWSYZZBFHVZWSQ-WCQYABFASA-N 0 3 331.376 2.251 10 5 EEBEHN CC[C@H](NC[C@H](O)COC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000245841520 464517861 /nfs/dbraw/zinc/51/78/61/464517861.db2.gz CPJUSTQJPJBHEW-BBWFWOEESA-N 0 3 338.404 2.192 10 5 EEBEHN COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000253354100 464992245 /nfs/dbraw/zinc/99/22/45/464992245.db2.gz ZMHCGXSKEQEUNC-RISCZKNCSA-N 0 3 335.404 2.370 10 5 EEBEHN COCCN1CCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356647 465518589 /nfs/dbraw/zinc/51/85/89/465518589.db2.gz MXRGHUGSKNXQPW-CQSZACIVSA-N 0 3 330.388 2.666 10 5 EEBEHN O=[N+]([O-])c1cnccc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000340897393 466417891 /nfs/dbraw/zinc/41/78/91/466417891.db2.gz HAQKEAIPWAIQIF-INIZCTEOSA-N 0 3 342.399 2.115 10 5 EEBEHN CC(C)c1n[nH]c(C(=O)N2CCC(c3cnc[nH]3)CC2)c1[N+](=O)[O-] ZINC000434018306 467373019 /nfs/dbraw/zinc/37/30/19/467373019.db2.gz YUXUKOPAJCTWEM-UHFFFAOYSA-N 0 3 332.364 2.184 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000589503236 468158200 /nfs/dbraw/zinc/15/82/00/468158200.db2.gz LDARWBYHDIAMNB-KGLIPLIRSA-N 0 3 334.372 2.240 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NC[C@H](O)CN1CCCCC1)CCCC2 ZINC000591896735 468554062 /nfs/dbraw/zinc/55/40/62/468554062.db2.gz QLVSHJKMKHWSEZ-AWEZNQCLSA-N 0 3 334.420 2.127 10 5 EEBEHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@](C)(CO)OC ZINC000594510817 468612680 /nfs/dbraw/zinc/61/26/80/468612680.db2.gz LGTZLGOIKMPGGX-WFASDCNBSA-N 0 3 328.434 2.453 10 5 EEBEHN C[C@@H]1C[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCN1C ZINC000601119692 468749199 /nfs/dbraw/zinc/74/91/99/468749199.db2.gz VPGXXZXOMFFWQJ-RKDXNWHRSA-N 0 3 335.330 2.266 10 5 EEBEHN COCCN1CCN(CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593101678 468871443 /nfs/dbraw/zinc/87/14/43/468871443.db2.gz RHUQQJMVMRHJPQ-UHFFFAOYSA-N 0 3 337.420 2.016 10 5 EEBEHN CC(C)(C)CCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587405724 469088022 /nfs/dbraw/zinc/08/80/22/469088022.db2.gz WPOWJPPUFJQDDU-UHFFFAOYSA-N 0 3 336.436 2.228 10 5 EEBEHN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000599072273 469107131 /nfs/dbraw/zinc/10/71/31/469107131.db2.gz IDWBQOKPIYEAEL-CYBMUJFWSA-N 0 3 344.415 2.424 10 5 EEBEHN COC(=O)C(C)(C)[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000611404608 469242081 /nfs/dbraw/zinc/24/20/81/469242081.db2.gz ICFCIPZVEFDZFH-HNNXBMFYSA-N 0 3 346.387 2.321 10 5 EEBEHN O=[N+]([O-])c1ncccc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596425535 469262629 /nfs/dbraw/zinc/26/26/29/469262629.db2.gz ZWNSCJSVUXUZQM-OAHLLOKOSA-N 0 3 328.372 2.169 10 5 EEBEHN CN(C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000612611560 469507944 /nfs/dbraw/zinc/50/79/44/469507944.db2.gz OJEFVZYUOYJTBS-UHFFFAOYSA-N 0 3 336.327 2.136 10 5 EEBEHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCN2CCC[C@H]2C1 ZINC000171584996 534359234 /nfs/dbraw/zinc/35/92/34/534359234.db2.gz WQQAQHVBSKBKPM-INIZCTEOSA-N 0 3 332.404 2.094 10 5 EEBEHN CN1CCC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756951649 577853780 /nfs/dbraw/zinc/85/37/80/577853780.db2.gz VIUNPRHKLDORQD-NSHDSACASA-N 0 3 326.784 2.142 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2COc3ccccc3O2)c1 ZINC000749645840 577979421 /nfs/dbraw/zinc/97/94/21/577979421.db2.gz IHFZDFBPYQJVPU-GJZGRUSLSA-N 0 3 330.340 2.058 10 5 EEBEHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000928441855 683165198 /nfs/dbraw/zinc/16/51/98/683165198.db2.gz PNTVBGYAAARGGO-QPUJVOFHSA-N 0 3 331.294 2.436 10 5 EEBEHN C[C@H]1[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928443067 683171300 /nfs/dbraw/zinc/17/13/00/683171300.db2.gz SLWMJPVDBXTHMO-QPUJVOFHSA-N 0 3 329.759 2.139 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000866921335 686613764 /nfs/dbraw/zinc/61/37/64/686613764.db2.gz QRSFTGLKCDMSDT-MNOVXSKESA-N 0 3 347.462 2.116 10 5 EEBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1cccnc1 ZINC001484622064 1191445003 /nfs/dbraw/zinc/44/50/03/1191445003.db2.gz MNUNAEZOPWXZIB-UHFFFAOYSA-N 0 3 340.383 2.432 10 5 EEBEHN Cc1ccc(I)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112150 1201123541 /nfs/dbraw/zinc/12/35/41/1201123541.db2.gz CMBRDQCNAWJLMX-MRVPVSSYSA-N 0 3 349.124 2.422 10 5 EEBEHN Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2)cc1 ZINC000813115329 1201125857 /nfs/dbraw/zinc/12/58/57/1201125857.db2.gz PCUYIEUTBQVDSV-ZFWWWQNUSA-N 0 3 334.372 2.056 10 5 EEBEHN CNC(=O)C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000796609609 1221660864 /nfs/dbraw/zinc/66/08/64/1221660864.db2.gz BVBMHMOKSKXMMX-IAGOWNOFSA-N 0 3 343.383 2.095 10 5 EEBEHN C[C@H](NCCN1C[C@@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850560987 1277267348 /nfs/dbraw/zinc/26/73/48/1277267348.db2.gz HEDAMXAUCUFERW-JSGCOSHPSA-N 0 3 347.419 2.118 10 5 EEBEHN O=C(CNC1(CCO)CCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852118448 1291998056 /nfs/dbraw/zinc/99/80/56/1291998056.db2.gz IYERVAZIHRAXAX-UHFFFAOYSA-N 0 3 341.795 2.472 10 5 EEBEHN CC(C)(C)N1CC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853748947 1292444655 /nfs/dbraw/zinc/44/46/55/1292444655.db2.gz UMKZOTPQLAOPHF-JTQLQIEISA-N 0 3 334.376 2.210 10 5 EEBEHN Cc1cc(C)nc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001317602718 1332320808 /nfs/dbraw/zinc/32/08/08/1332320808.db2.gz HDPNEOKZLAZSMJ-UHFFFAOYSA-N 0 3 342.399 2.468 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)ccn1C ZINC001320721518 1332940163 /nfs/dbraw/zinc/94/01/63/1332940163.db2.gz DSUCHJOJEPIAAW-UHFFFAOYSA-N 0 3 344.415 2.494 10 5 EEBEHN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C12CCCN1CCC2 ZINC001332180301 1335754632 /nfs/dbraw/zinc/75/46/32/1335754632.db2.gz CAXZOCYNJHASQL-UHFFFAOYSA-N 0 3 325.315 2.118 10 5 EEBEHN Cc1c(NC(=O)CCN(C)Cc2cccc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC001648421331 1353429191 /nfs/dbraw/zinc/42/91/91/1353429191.db2.gz UDOSVEBDLSUBRU-UHFFFAOYSA-N 0 3 344.371 2.464 10 5 EEBEHN Cc1c(C(=O)NC/C=C/CNCc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001669027285 1356070743 /nfs/dbraw/zinc/07/07/43/1356070743.db2.gz OVUWTDJZXHFTDG-ONEGZZNKSA-N 0 3 342.399 2.318 10 5 EEBEHN CC(C)(C)C(=O)N1CCC(O)(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001674107633 1356787406 /nfs/dbraw/zinc/78/74/06/1356787406.db2.gz REYPUHXIQWTHHN-UHFFFAOYSA-N 0 3 349.431 2.084 10 5 EEBEHN O=[N+]([O-])c1ccc2sc([S@@](=O)C[C@H]3CCCCN3)nc2c1 ZINC000095092230 285152632 /nfs/dbraw/zinc/15/26/32/285152632.db2.gz MQAMDBRSOMYOLB-AOUSDQRYSA-N 0 3 325.415 2.454 10 5 EEBEHN CC[C@H]1C[C@@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453577518 281228606 /nfs/dbraw/zinc/22/86/06/281228606.db2.gz OUEYXJCIWRLCAC-GJZGRUSLSA-N 0 3 334.420 2.317 10 5 EEBEHN C[C@H]1CN(C2CCOCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296908471 294099556 /nfs/dbraw/zinc/09/95/56/294099556.db2.gz ZWKCQNPAIFHSPV-LBPRGKRZSA-N 0 3 345.403 2.161 10 5 EEBEHN O=[N+]([O-])c1c(N[C@H]2CCCN(CCCO)C2)ccc2ncccc21 ZINC000582162739 324391610 /nfs/dbraw/zinc/39/16/10/324391610.db2.gz UAHUVMQBGICQKA-ZDUSSCGKSA-N 0 3 330.388 2.402 10 5 EEBEHN CCCN1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000078251252 463094702 /nfs/dbraw/zinc/09/47/02/463094702.db2.gz GPQRIVWHXCAREO-UHFFFAOYSA-N 0 3 346.431 2.409 10 5 EEBEHN C[C@@H]1CCCCN1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000079914532 463261139 /nfs/dbraw/zinc/26/11/39/463261139.db2.gz PDMYXZJUIXWBGI-LLVKDONJSA-N 0 3 331.376 2.118 10 5 EEBEHN CN(C)CCN(Cc1cccnc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000069738885 463312617 /nfs/dbraw/zinc/31/26/17/463312617.db2.gz GWKJQKAJCPHPAM-UHFFFAOYSA-N 0 3 328.372 2.194 10 5 EEBEHN COC(=O)c1cc(C)nc(N(C)[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000286023251 464777718 /nfs/dbraw/zinc/77/77/18/464777718.db2.gz AQBSHIRAXIVPTM-NEPJUHHUSA-N 0 3 336.392 2.004 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CN2CCOCC2)CC1 ZINC000183265745 464837587 /nfs/dbraw/zinc/83/75/87/464837587.db2.gz OTQACEAOPLBMGA-UHFFFAOYSA-N 0 3 333.432 2.447 10 5 EEBEHN C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000266945244 464881193 /nfs/dbraw/zinc/88/11/93/464881193.db2.gz RELPHBHUSZRXDM-CSMYWGQOSA-N 0 3 348.378 2.374 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000177032184 464911827 /nfs/dbraw/zinc/91/18/27/464911827.db2.gz PQTZFKOYGIVQDR-GFCCVEGCSA-N 0 3 339.367 2.055 10 5 EEBEHN COc1cc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])cc1F ZINC000373675892 466885371 /nfs/dbraw/zinc/88/53/71/466885371.db2.gz UAWAKOWKTHVYPK-QWRGUYRKSA-N 0 3 325.340 2.018 10 5 EEBEHN CCN1CCN(CC(C)(C)NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000449743675 467704183 /nfs/dbraw/zinc/70/41/83/467704183.db2.gz AGQBELIYNARPJM-UHFFFAOYSA-N 0 3 334.464 2.409 10 5 EEBEHN CN(C)CCn1cc(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC000591902297 468556832 /nfs/dbraw/zinc/55/68/32/468556832.db2.gz IPSNIJQRAFNMLS-UHFFFAOYSA-N 0 3 330.392 2.370 10 5 EEBEHN O=[N+]([O-])c1ccc(CCO)c(-c2ccc(N3CCNCC3)cc2)c1 ZINC000600793256 468659143 /nfs/dbraw/zinc/65/91/43/468659143.db2.gz MPRBEQUJPLVHDW-UHFFFAOYSA-N 0 3 327.384 2.206 10 5 EEBEHN CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(CC)C1 ZINC000598043237 468747412 /nfs/dbraw/zinc/74/74/12/468747412.db2.gz SDWOAXZDTFSLDC-MRXNPFEDSA-N 0 3 344.415 2.492 10 5 EEBEHN N[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595260546 468796451 /nfs/dbraw/zinc/79/64/51/468796451.db2.gz CEHXMKRIVPYEOB-NXEZZACHSA-N 0 3 347.799 2.238 10 5 EEBEHN O=[N+]([O-])c1c2ccncc2ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000599062431 469104177 /nfs/dbraw/zinc/10/41/77/469104177.db2.gz PXBOUCQEJPWQBY-AWEZNQCLSA-N 0 3 342.399 2.302 10 5 EEBEHN CC1(N2CCOCC2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599621441 469313039 /nfs/dbraw/zinc/31/30/39/469313039.db2.gz BLXMREVGGKVMGH-UHFFFAOYSA-N 0 3 337.395 2.421 10 5 EEBEHN CO[C@@H]1CCC[C@H]([C@H](CO)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595634998 485608344 /nfs/dbraw/zinc/60/83/44/485608344.db2.gz SJRSPPUNBDUCOE-GHJWDPDVSA-N 0 3 348.403 2.127 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000175166554 529070303 /nfs/dbraw/zinc/07/03/03/529070303.db2.gz MYMTZJPJWNOQJH-OAHLLOKOSA-N 0 3 346.431 2.408 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(CN(C)C)cc2)n1 ZINC000757666935 577862157 /nfs/dbraw/zinc/86/21/57/577862157.db2.gz SZZDYOBTEAMBEL-UHFFFAOYSA-N 0 3 345.403 2.145 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928443066 683171186 /nfs/dbraw/zinc/17/11/86/683171186.db2.gz SLWMJPVDBXTHMO-PRHODGIISA-N 0 3 329.759 2.139 10 5 EEBEHN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCCN2CC[N+](=O)[O-])C1 ZINC000930582894 684097869 /nfs/dbraw/zinc/09/78/69/684097869.db2.gz KUBWYHHHQZEPJM-ZIAGYGMSSA-N 0 3 327.425 2.375 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccoc1 ZINC001481220302 1180336596 /nfs/dbraw/zinc/33/65/96/1180336596.db2.gz OQRBEJITHONBNT-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN COC1CCN(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872043552 1198033749 /nfs/dbraw/zinc/03/37/49/1198033749.db2.gz YURSWDHEECQDPA-GFCCVEGCSA-N 0 3 325.384 2.495 10 5 EEBEHN CCC(=O)c1ccc(N2CCC[C@](O)(CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000865924691 1198425527 /nfs/dbraw/zinc/42/55/27/1198425527.db2.gz UWHWVVLZASFCIA-KRWDZBQOSA-N 0 3 335.404 2.080 10 5 EEBEHN CC(COC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813106204 1201117884 /nfs/dbraw/zinc/11/78/84/1201117884.db2.gz AOCNAYSWJNFDSN-CXAGYDPISA-N 0 3 334.372 2.137 10 5 EEBEHN CC(COC(=O)Cc1cccc(OCc2cccnc2)c1)[N+](=O)[O-] ZINC000813115037 1201124298 /nfs/dbraw/zinc/12/42/98/1201124298.db2.gz JMHHVFAAJPBLNM-ZDUSSCGKSA-N 0 3 330.340 2.412 10 5 EEBEHN CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(N2CCCOCC2)CC1 ZINC000882446612 1201872832 /nfs/dbraw/zinc/87/28/32/1201872832.db2.gz FQHGMFLVXQWOQT-UHFFFAOYSA-N 0 3 347.415 2.489 10 5 EEBEHN O=C(OCCc1ccc([N+](=O)[O-])cc1)C1CCCN(C2CC2)C1=O ZINC000924061845 1205932510 /nfs/dbraw/zinc/93/25/10/1205932510.db2.gz FBKOPOOIWLFUKY-OAHLLOKOSA-N 0 3 332.356 2.082 10 5 EEBEHN CNC(=O)C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000796609613 1221660828 /nfs/dbraw/zinc/66/08/28/1221660828.db2.gz BVBMHMOKSKXMMX-SJORKVTESA-N 0 3 343.383 2.095 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(F)c1 ZINC001668377332 1355931750 /nfs/dbraw/zinc/93/17/50/1355931750.db2.gz OQVSNZBLYLVWPI-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN O=C(C1CCCCC1)N(CCO)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001672576143 1356556828 /nfs/dbraw/zinc/55/68/28/1356556828.db2.gz PKNQIESDCZZKKN-UHFFFAOYSA-N 0 3 349.431 2.086 10 5 EEBEHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1(CF)CCC1 ZINC001568922503 1124950426 /nfs/dbraw/zinc/95/04/26/1124950426.db2.gz XRMOYQQMJYINID-OWOJBTEDSA-N 0 3 335.379 2.497 10 5 EEBEHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000118792210 221184111 /nfs/dbraw/zinc/18/41/11/221184111.db2.gz QPVIBUDPONXJJG-NSHDSACASA-N 0 3 342.783 2.043 10 5 EEBEHN CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115439490 152022479 /nfs/dbraw/zinc/02/24/79/152022479.db2.gz BRAFTRVQXRWWDL-CYBMUJFWSA-N 0 3 335.404 2.407 10 5 EEBEHN COC(=O)c1cnc(NCCN2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000357684253 153286010 /nfs/dbraw/zinc/28/60/10/153286010.db2.gz OYPUECDDECDNTN-VXGBXAGGSA-N 0 3 336.392 2.451 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351799434 161930292 /nfs/dbraw/zinc/93/02/92/161930292.db2.gz SMJVZLBKHLNWIN-GFCCVEGCSA-N 0 3 343.449 2.220 10 5 EEBEHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2CCC1CC2 ZINC000365002730 165349104 /nfs/dbraw/zinc/34/91/04/165349104.db2.gz RCCMLAHAOSLDQG-HNNXBMFYSA-N 0 3 331.416 2.470 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000278467646 274360300 /nfs/dbraw/zinc/36/03/00/274360300.db2.gz JOJIDCXJUXLUCC-AWEZNQCLSA-N 0 3 335.404 2.134 10 5 EEBEHN CN(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccccc1 ZINC000301825058 294899772 /nfs/dbraw/zinc/89/97/72/294899772.db2.gz DKWJSUHCCPIXDR-CQSZACIVSA-N 0 3 340.387 2.222 10 5 EEBEHN C[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000507235117 316375850 /nfs/dbraw/zinc/37/58/50/316375850.db2.gz ZDTYVDOIBDGTPW-WFASDCNBSA-N 0 3 341.433 2.060 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127726006 462578241 /nfs/dbraw/zinc/57/82/41/462578241.db2.gz PHBOUHBRJGYSER-NSHDSACASA-N 0 3 331.294 2.438 10 5 EEBEHN C[C@H]1CN2CCC[C@@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000113248341 462580812 /nfs/dbraw/zinc/58/08/12/462580812.db2.gz JGBBYEADUVPEGH-WCQYABFASA-N 0 3 330.388 2.152 10 5 EEBEHN C[C@H](O)C1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128611752 462657641 /nfs/dbraw/zinc/65/76/41/462657641.db2.gz KCRZMMLWKDKCNP-NSHDSACASA-N 0 3 339.367 2.155 10 5 EEBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](CN(C)C)C1 ZINC000105924170 463498523 /nfs/dbraw/zinc/49/85/23/463498523.db2.gz GQPLHCXGMOMZNO-MRXNPFEDSA-N 0 3 337.420 2.144 10 5 EEBEHN CCn1cnnc1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000105928755 463498910 /nfs/dbraw/zinc/49/89/10/463498910.db2.gz YAOYZSPKNNWYNZ-UHFFFAOYSA-N 0 3 345.403 2.465 10 5 EEBEHN O=C(N[C@H]1CCN(CC2CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000108300958 463595473 /nfs/dbraw/zinc/59/54/73/463595473.db2.gz GGHQMRMSQNOSPO-LBPRGKRZSA-N 0 3 328.372 2.290 10 5 EEBEHN Cc1cc(N2CC[C@H]3OCCN(C)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000284853325 464366526 /nfs/dbraw/zinc/36/65/26/464366526.db2.gz DVDDRMJHGRGNFX-QZTJIDSGSA-N 0 3 342.399 2.361 10 5 EEBEHN CN1CCN(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000281642626 464531664 /nfs/dbraw/zinc/53/16/64/464531664.db2.gz MNWSMJAIUUXIRU-UHFFFAOYSA-N 0 3 327.816 2.081 10 5 EEBEHN Cn1cc(CNCC2(C)OCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000192252490 464894870 /nfs/dbraw/zinc/89/48/70/464894870.db2.gz ZDQXWJJTTPTYGE-UHFFFAOYSA-N 0 3 346.387 2.238 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000177424005 465011378 /nfs/dbraw/zinc/01/13/78/465011378.db2.gz FOTCOEYPMVCWOW-MRXNPFEDSA-N 0 3 334.420 2.263 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095250 468441782 /nfs/dbraw/zinc/44/17/82/468441782.db2.gz PKJDVBBJGQTMQW-VIFPVBQESA-N 0 3 327.772 2.046 10 5 EEBEHN NC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC2CCCCC2)CC1 ZINC000301061641 465894342 /nfs/dbraw/zinc/89/43/42/465894342.db2.gz BRSTYPWVAYGVFK-UHFFFAOYSA-N 0 3 346.431 2.396 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3ccncc3)CC2)c1 ZINC000301450510 465965325 /nfs/dbraw/zinc/96/53/25/465965325.db2.gz SSJCBXUXCBIYHE-UHFFFAOYSA-N 0 3 332.335 2.464 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN1CCCc3[nH]ncc3C1)OCCO2 ZINC000597258480 468499127 /nfs/dbraw/zinc/49/91/27/468499127.db2.gz NQCLKTKHMLAZJI-UHFFFAOYSA-N 0 3 330.344 2.038 10 5 EEBEHN CN1CC[C@@](O)(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253537 466573959 /nfs/dbraw/zinc/57/39/59/466573959.db2.gz OBAHSKOWLGKFGA-RBUKOAKNSA-N 0 3 341.411 2.340 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000436418275 467534638 /nfs/dbraw/zinc/53/46/38/467534638.db2.gz HCQTVYMNROZUMD-HNNXBMFYSA-N 0 3 332.404 2.010 10 5 EEBEHN CC[C@H](N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000449420959 467642549 /nfs/dbraw/zinc/64/25/49/467642549.db2.gz HATOVMPKANFGBE-LQJRIPTKSA-N 0 3 345.346 2.306 10 5 EEBEHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000487547223 468044084 /nfs/dbraw/zinc/04/40/84/468044084.db2.gz FQOFMGPGYTTZMY-SMDDNHRTSA-N 0 3 326.418 2.393 10 5 EEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000590446580 468259862 /nfs/dbraw/zinc/25/98/62/468259862.db2.gz UWFAHOGXNSICRD-BXUZGUMPSA-N 0 3 335.429 2.483 10 5 EEBEHN CN1C[C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000591849704 468530424 /nfs/dbraw/zinc/53/04/24/468530424.db2.gz JFTJVFRMQKDWCC-SMDDNHRTSA-N 0 3 340.221 2.493 10 5 EEBEHN CNc1c(C(=O)NC[C@@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600470354 468567596 /nfs/dbraw/zinc/56/75/96/468567596.db2.gz NMKPRZCYTSRJNM-ZDUSSCGKSA-N 0 3 332.404 2.383 10 5 EEBEHN COc1ccc(CN[C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000594968378 468733540 /nfs/dbraw/zinc/73/35/40/468733540.db2.gz WPWHTJVIISWPES-QLFBSQMISA-N 0 3 338.404 2.259 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000601110468 468744281 /nfs/dbraw/zinc/74/42/81/468744281.db2.gz GMKAKKSZQYMHLS-VIFPVBQESA-N 0 3 333.314 2.022 10 5 EEBEHN CO[C@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCC1 ZINC000595286605 468800754 /nfs/dbraw/zinc/80/07/54/468800754.db2.gz IMSZKBDEFNUFOL-MRXNPFEDSA-N 0 3 334.420 2.317 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]CC2(N(C)C)CCCC2)c([N+](=O)[O-])s1 ZINC000601303074 468818477 /nfs/dbraw/zinc/81/84/77/468818477.db2.gz BAXKOWBLERAYOM-UHFFFAOYSA-N 0 3 347.462 2.117 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-]CC2([NH+](C)C)CCCC2)c([N+](=O)[O-])s1 ZINC000601303074 468818479 /nfs/dbraw/zinc/81/84/79/468818479.db2.gz BAXKOWBLERAYOM-UHFFFAOYSA-N 0 3 347.462 2.117 10 5 EEBEHN CCCN1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000598341577 468837071 /nfs/dbraw/zinc/83/70/71/468837071.db2.gz CMQMMIBMTMTALV-LLVKDONJSA-N 0 3 343.330 2.410 10 5 EEBEHN CCOc1cc(CN2CC[C@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607301 468921015 /nfs/dbraw/zinc/92/10/15/468921015.db2.gz LAXGRQGAVVKKNV-AWEZNQCLSA-N 0 3 331.376 2.107 10 5 EEBEHN C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)CN1CCO ZINC000593480020 468998398 /nfs/dbraw/zinc/99/83/98/468998398.db2.gz SZDBXOMCKTXMCH-CHWSQXEVSA-N 0 3 330.388 2.034 10 5 EEBEHN O=[N+]([O-])c1cccnc1NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000596423087 485613079 /nfs/dbraw/zinc/61/30/79/485613079.db2.gz JEDNOTLILRUAOU-OAHLLOKOSA-N 0 3 328.372 2.169 10 5 EEBEHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)Cc1cccnc1 ZINC001268785808 1183700178 /nfs/dbraw/zinc/70/01/78/1183700178.db2.gz JFAVSWFXENFHNI-UHFFFAOYSA-N 0 3 342.399 2.171 10 5 EEBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1ccns1 ZINC001484636880 1191453198 /nfs/dbraw/zinc/45/31/98/1191453198.db2.gz YBZJNWADSATETH-UHFFFAOYSA-N 0 3 346.412 2.494 10 5 EEBEHN CC(C)(C)OC(=O)N1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000703306976 1196424878 /nfs/dbraw/zinc/42/48/78/1196424878.db2.gz VXENIFKULXAWNQ-ZDUSSCGKSA-N 0 3 337.376 2.278 10 5 EEBEHN CCC(=O)c1ccc(N2CCC[C@@](O)(CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000865924693 1198425540 /nfs/dbraw/zinc/42/55/40/1198425540.db2.gz UWHWVVLZASFCIA-QGZVFWFLSA-N 0 3 335.404 2.080 10 5 EEBEHN Cc1c(NC(=O)NC[C@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000927644060 1206285476 /nfs/dbraw/zinc/28/54/76/1206285476.db2.gz FSIYTVDMKAEFNY-CQSZACIVSA-N 0 3 348.403 2.278 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000931261600 1206619942 /nfs/dbraw/zinc/61/99/42/1206619942.db2.gz CJPWAIYIALNLBH-RISCZKNCSA-N 0 3 334.376 2.161 10 5 EEBEHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000795287036 1212425070 /nfs/dbraw/zinc/42/50/70/1212425070.db2.gz IQXUFBGRXRTGDI-UHFFFAOYSA-N 0 3 332.335 2.464 10 5 EEBEHN CCc1nc[nH]c1C(=O)N(CC)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001273731661 1284350471 /nfs/dbraw/zinc/35/04/71/1284350471.db2.gz GQICSKUQAFCDLA-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCc1nccs1 ZINC001317661784 1332356410 /nfs/dbraw/zinc/35/64/10/1332356410.db2.gz ZCASVJLDGFQXRU-UHFFFAOYSA-N 0 3 348.428 2.232 10 5 EEBEHN CC([C@@H](OC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1F)[N+](=O)[O-] ZINC001344013404 1337361395 /nfs/dbraw/zinc/36/13/95/1337361395.db2.gz RNPXYRAVEQRDRH-RSSNNRIWSA-N 0 3 335.331 2.499 10 5 EEBEHN Cc1c(C(=O)OC[C@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001349760612 1337645390 /nfs/dbraw/zinc/64/53/90/1337645390.db2.gz QAKZYZHUSFKYKM-CQSZACIVSA-N 0 3 334.372 2.313 10 5 EEBEHN O=C(CCN1CC[C@H](c2ncccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001660357176 1354448033 /nfs/dbraw/zinc/44/80/33/1354448033.db2.gz HAVSGTLHTWDQTM-ZDUSSCGKSA-N 0 3 341.371 2.203 10 5 EEBEHN CN(C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000268646945 282119328 /nfs/dbraw/zinc/11/93/28/282119328.db2.gz SYOZJCLDMWSLMJ-VIFPVBQESA-N 0 3 329.198 2.283 10 5 EEBEHN O=C(CN1CCC[C@@H]1CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000069078778 215358779 /nfs/dbraw/zinc/35/87/79/215358779.db2.gz CVNGQRNLFHPSKJ-QGZVFWFLSA-N 0 3 346.431 2.484 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC000191713791 152268801 /nfs/dbraw/zinc/26/88/01/152268801.db2.gz JLZBDZIKWLZSBT-MLGOLLRUSA-N 0 3 345.403 2.232 10 5 EEBEHN CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000255166164 160396964 /nfs/dbraw/zinc/39/69/64/160396964.db2.gz SGCAHHUXTSJHHZ-YZFBUXBQSA-N 0 3 333.432 2.385 10 5 EEBEHN CCC[N@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352559591 162187133 /nfs/dbraw/zinc/18/71/33/162187133.db2.gz JRFSPWKFOQRRCA-SNVBAGLBSA-N 0 3 335.451 2.055 10 5 EEBEHN C[C@@](O)(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000370061011 166385241 /nfs/dbraw/zinc/38/52/41/166385241.db2.gz RRFVNDBEWXJHBK-QGZVFWFLSA-N 0 3 330.388 2.336 10 5 EEBEHN COCCN(C)CCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278203937 269215058 /nfs/dbraw/zinc/21/50/58/269215058.db2.gz VSUGMVWMMZGOHX-UHFFFAOYSA-N 0 3 343.811 2.255 10 5 EEBEHN NC(=O)N1CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278842525 269245896 /nfs/dbraw/zinc/24/58/96/269245896.db2.gz WEMFUDFRVHQRDV-UHFFFAOYSA-N 0 3 346.309 2.246 10 5 EEBEHN C[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297740626 294329132 /nfs/dbraw/zinc/32/91/32/294329132.db2.gz ULMJFIUOKCRCIY-BBRMVZONSA-N 0 3 330.388 2.312 10 5 EEBEHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000347889003 465288405 /nfs/dbraw/zinc/28/84/05/465288405.db2.gz JCHAZBVEHUEODN-QGZVFWFLSA-N 0 3 346.431 2.482 10 5 EEBEHN Cc1cnn([C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000137050412 463275334 /nfs/dbraw/zinc/27/53/34/463275334.db2.gz YSKWBKAVJUSNQE-SJORKVTESA-N 0 3 330.388 2.470 10 5 EEBEHN Cc1cc(OCC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000281654639 464536589 /nfs/dbraw/zinc/53/65/89/464536589.db2.gz NCIATWIIBNMKNH-KBPBESRZSA-N 0 3 335.404 2.223 10 5 EEBEHN COc1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295105815 464707362 /nfs/dbraw/zinc/70/73/62/464707362.db2.gz XTRDIDLBMLJBSA-QWRGUYRKSA-N 0 3 339.367 2.297 10 5 EEBEHN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000286023254 464777786 /nfs/dbraw/zinc/77/77/86/464777786.db2.gz AQBSHIRAXIVPTM-VXGBXAGGSA-N 0 3 336.392 2.004 10 5 EEBEHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353719675 466092894 /nfs/dbraw/zinc/09/28/94/466092894.db2.gz DRSMTQVRBYIHHU-CQSZACIVSA-N 0 3 328.372 2.269 10 5 EEBEHN CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C)[C@@H]1CCN(C2CC2)C1 ZINC000349718445 466205175 /nfs/dbraw/zinc/20/51/75/466205175.db2.gz GCTJLMROKDZAOQ-OAHLLOKOSA-N 0 3 342.403 2.063 10 5 EEBEHN Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600228824 468502058 /nfs/dbraw/zinc/50/20/58/468502058.db2.gz GFQYODPKLIKUKN-CYBMUJFWSA-N 0 3 332.404 2.314 10 5 EEBEHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000370996537 467067028 /nfs/dbraw/zinc/06/70/28/467067028.db2.gz DZNYPHDYZHPCQK-YOEHRIQHSA-N 0 3 328.372 2.298 10 5 EEBEHN C[C@H](Cc1ccoc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449239052 467625376 /nfs/dbraw/zinc/62/53/76/467625376.db2.gz ULZFLHCVBCWNCH-GFCCVEGCSA-N 0 3 338.385 2.182 10 5 EEBEHN COCCN1CCC[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488116326 468072511 /nfs/dbraw/zinc/07/25/11/468072511.db2.gz OBDKVWCTSROWOW-CYBMUJFWSA-N 0 3 330.388 2.088 10 5 EEBEHN COC1CCN(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000589863982 468190721 /nfs/dbraw/zinc/19/07/21/468190721.db2.gz KAOHGJHRPUGDPL-UHFFFAOYSA-N 0 3 330.388 2.088 10 5 EEBEHN CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C)C1 ZINC000597946349 468721299 /nfs/dbraw/zinc/72/12/99/468721299.db2.gz OWQAJGYIWIIDFP-GFCCVEGCSA-N 0 3 344.371 2.015 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593114616 468875395 /nfs/dbraw/zinc/87/53/95/468875395.db2.gz DQDKOAFXYNJUOX-TZMCWYRMSA-N 0 3 328.315 2.066 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)[C@@H]2C1 ZINC000601596255 468931263 /nfs/dbraw/zinc/93/12/63/468931263.db2.gz VZFUWTRJITZGMV-CZUORRHYSA-N 0 3 329.400 2.179 10 5 EEBEHN C[C@H]1CCN(Cc2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000610468864 468975589 /nfs/dbraw/zinc/97/55/89/468975589.db2.gz OWHZXGWMAFFOBF-AWEZNQCLSA-N 0 3 329.404 2.429 10 5 EEBEHN CN1CCC(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000588883855 469175513 /nfs/dbraw/zinc/17/55/13/469175513.db2.gz BJBZTPRZCNNORJ-UHFFFAOYSA-N 0 3 345.403 2.012 10 5 EEBEHN CCOc1ccc([C@@H](C)NCCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000615761579 469310443 /nfs/dbraw/zinc/31/04/43/469310443.db2.gz JZRYXIHCSZTBFC-LLVKDONJSA-N 0 3 342.417 2.079 10 5 EEBEHN COCCN(C)C(=O)[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000229463453 536769630 /nfs/dbraw/zinc/76/96/30/536769630.db2.gz DLKKNTKHRDYJKH-GOEBONIOSA-N 0 3 349.431 2.473 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccco1 ZINC001267346038 1178796392 /nfs/dbraw/zinc/79/63/92/1178796392.db2.gz VWOZYPADEMVZCJ-UHFFFAOYSA-N 0 3 331.372 2.369 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC001483077552 1188435586 /nfs/dbraw/zinc/43/55/86/1188435586.db2.gz KVGLKLYMCWQTMF-UPHRSURJSA-N 0 3 332.385 2.127 10 5 EEBEHN CC(C)OCC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001273048208 1194351630 /nfs/dbraw/zinc/35/16/30/1194351630.db2.gz PAMMNRTTWDSTRI-UHFFFAOYSA-N 0 3 335.404 2.148 10 5 EEBEHN Cc1c(NC(=O)NC[C@@H]2CCN2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000927644059 1206285306 /nfs/dbraw/zinc/28/53/06/1206285306.db2.gz FSIYTVDMKAEFNY-AWEZNQCLSA-N 0 3 348.403 2.278 10 5 EEBEHN CCCn1nccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001317591993 1332313684 /nfs/dbraw/zinc/31/36/84/1332313684.db2.gz OLHRGZLOGWLQJV-UHFFFAOYSA-N 0 3 345.403 2.063 10 5 EEBEHN CC(F)(F)CC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001321235390 1333051230 /nfs/dbraw/zinc/05/12/30/1333051230.db2.gz HJGGTDXLZGVFRP-IHWYPQMZSA-N 0 3 327.331 2.402 10 5 EEBEHN COCCN1CCC[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001559216817 1342499285 /nfs/dbraw/zinc/49/92/85/1342499285.db2.gz PDBGZPGILMGFME-CYBMUJFWSA-N 0 3 348.378 2.227 10 5 EEBEHN Cc1[nH]nc(C(=O)NCC=CCNCc2ccc([N+](=O)[O-])cc2)c1C ZINC001668751498 1355997195 /nfs/dbraw/zinc/99/71/95/1355997195.db2.gz JNBJIGXOYLXKSS-ONEGZZNKSA-N 0 3 343.387 2.011 10 5 EEBEHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)CC1=CCCCC1 ZINC001670041441 1356265890 /nfs/dbraw/zinc/26/58/90/1356265890.db2.gz ATVXKTKWBQBREJ-UHFFFAOYSA-N 0 3 349.435 2.157 10 5 EEBEHN CN1CCC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906585423 783991103 /nfs/dbraw/zinc/99/11/03/783991103.db2.gz SIZYQDVLCJKSHX-LBPRGKRZSA-N 0 3 325.796 2.391 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844433982 789119668 /nfs/dbraw/zinc/11/96/68/789119668.db2.gz PGTZHZKYGLZPQF-DZGCQCFKSA-N 0 3 342.342 2.456 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC001460554278 1110310526 /nfs/dbraw/zinc/31/05/26/1110310526.db2.gz FGWQWHUZBNZSPJ-VIFPVBQESA-N 0 3 331.332 2.297 10 5 EEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000246609581 160286827 /nfs/dbraw/zinc/28/68/27/160286827.db2.gz RQXNUSHSVLUMER-JSGCOSHPSA-N 0 3 333.388 2.302 10 5 EEBEHN CCN(CC)[C@H](C)CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000359942103 279161118 /nfs/dbraw/zinc/16/11/18/279161118.db2.gz MNDSPHQNMAPQDV-CYBMUJFWSA-N 0 3 343.449 2.220 10 5 EEBEHN COc1cc(CN2CC[C@@H](Cc3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000539808571 318063442 /nfs/dbraw/zinc/06/34/42/318063442.db2.gz FFFWNFGRPILHRS-AWEZNQCLSA-N 0 3 330.388 2.402 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173171847 464202051 /nfs/dbraw/zinc/20/20/51/464202051.db2.gz XYIJBRDMWMOOIP-QGZVFWFLSA-N 0 3 341.411 2.426 10 5 EEBEHN CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000347889002 465288597 /nfs/dbraw/zinc/28/85/97/465288597.db2.gz JCHAZBVEHUEODN-KRWDZBQOSA-N 0 3 346.431 2.482 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000590663871 468299081 /nfs/dbraw/zinc/29/90/81/468299081.db2.gz ZUCDFYBVJOTKES-OAHLLOKOSA-N 0 3 335.404 2.296 10 5 EEBEHN C[C@H]1CN2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000113270633 462584113 /nfs/dbraw/zinc/58/41/13/462584113.db2.gz LBASZBSIVVCKTC-SWLSCSKDSA-N 0 3 343.387 2.313 10 5 EEBEHN CN1C[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590767524 468334146 /nfs/dbraw/zinc/33/41/46/468334146.db2.gz OVGDAHQYADHSND-TVQRCGJNSA-N 0 3 343.305 2.390 10 5 EEBEHN CC(C)N1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)C1 ZINC000161180123 463407605 /nfs/dbraw/zinc/40/76/05/463407605.db2.gz PINKPOIWHNVALC-WFASDCNBSA-N 0 3 334.420 2.119 10 5 EEBEHN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCN2CCC[C@H]2C1 ZINC000179753080 464180720 /nfs/dbraw/zinc/18/07/20/464180720.db2.gz ILVVKQGAYLFZHQ-LBPRGKRZSA-N 0 3 326.356 2.063 10 5 EEBEHN CC1CCN(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362571467 465840526 /nfs/dbraw/zinc/84/05/26/465840526.db2.gz YGIJFOLOVFXMMY-UHFFFAOYSA-N 0 3 341.358 2.264 10 5 EEBEHN Cc1cc(NC[C@@H](CO)c2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340940853 466451263 /nfs/dbraw/zinc/45/12/63/466451263.db2.gz SQHUOHMXTZSNCL-AWEZNQCLSA-N 0 3 338.367 2.456 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000428485826 467239004 /nfs/dbraw/zinc/23/90/04/467239004.db2.gz QIRMZJXKYYFHIR-LBPRGKRZSA-N 0 3 345.321 2.404 10 5 EEBEHN CCOc1ccc([C@H](C)NCC[C@](C)(O)COC)cc1[N+](=O)[O-] ZINC000453245467 467469250 /nfs/dbraw/zinc/46/92/50/467469250.db2.gz BWQCDARKPZBTDS-LRDDRELGSA-N 0 3 326.393 2.432 10 5 EEBEHN CC[C@H](N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000449419601 467642386 /nfs/dbraw/zinc/64/23/86/467642386.db2.gz BNGUFTSJKWGDQP-WFBYXXMGSA-N 0 3 345.346 2.306 10 5 EEBEHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000590447244 468259425 /nfs/dbraw/zinc/25/94/25/468259425.db2.gz WOMMPLDOXWBMBF-RNCFNFMXSA-N 0 3 343.305 2.390 10 5 EEBEHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCOC2(CCN(C)CC2)C1 ZINC000591991727 468592237 /nfs/dbraw/zinc/59/22/37/468592237.db2.gz LVGYKSOGRUXFAW-UHFFFAOYSA-N 0 3 333.388 2.098 10 5 EEBEHN C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000597695095 468640483 /nfs/dbraw/zinc/64/04/83/468640483.db2.gz QALCMRACVWHJEB-JQFCIGGWSA-N 0 3 347.415 2.020 10 5 EEBEHN Nc1cc(N2CCN(CC3CCCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587528791 469091449 /nfs/dbraw/zinc/09/14/49/469091449.db2.gz TXPBRPWQHJDBFT-UHFFFAOYSA-N 0 3 348.447 2.372 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C ZINC000925329072 692721800 /nfs/dbraw/zinc/72/18/00/692721800.db2.gz KNKLNQRILHFCFA-MLGOLLRUSA-N 0 3 332.404 2.361 10 5 EEBEHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)c1ccnn1C ZINC000927127034 693298686 /nfs/dbraw/zinc/29/86/86/693298686.db2.gz PWPAYGLNNHCTMZ-IINYFYTJSA-N 0 3 336.417 2.434 10 5 EEBEHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC[C@H](NC(=O)CCC2CC2)CC1 ZINC001482015541 1183134171 /nfs/dbraw/zinc/13/41/71/1183134171.db2.gz XVABDHVGJVRIOW-HDJSIYSDSA-N 0 3 349.435 2.036 10 5 EEBEHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)c1ncc[nH]1 ZINC001269545102 1184367588 /nfs/dbraw/zinc/36/75/88/1184367588.db2.gz DAWFTLKVRGNLNP-UHFFFAOYSA-N 0 3 343.387 2.150 10 5 EEBEHN CC(COC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)[N+](=O)[O-] ZINC000813106207 1201117650 /nfs/dbraw/zinc/11/76/50/1201117650.db2.gz AOCNAYSWJNFDSN-SUMWQHHRSA-N 0 3 334.372 2.137 10 5 EEBEHN Cc1cc(C(=O)N(C)CCCNCc2ccccc2[N+](=O)[O-])on1 ZINC001275867270 1205571674 /nfs/dbraw/zinc/57/16/74/1205571674.db2.gz JMBOQJLHSGAAPO-UHFFFAOYSA-N 0 3 332.360 2.143 10 5 EEBEHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)cc1 ZINC000929749440 1206497727 /nfs/dbraw/zinc/49/77/27/1206497727.db2.gz ODRUBDPEYHFZCL-DOPJRALCSA-N 0 3 348.399 2.242 10 5 EEBEHN CCOc1cc(CN2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000930909591 1206591772 /nfs/dbraw/zinc/59/17/72/1206591772.db2.gz GQZDUUGNIGSZAF-YRGRVCCFSA-N 0 3 335.404 2.468 10 5 EEBEHN CNC(=O)C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000796609606 1221661030 /nfs/dbraw/zinc/66/10/30/1221661030.db2.gz BVBMHMOKSKXMMX-DLBZAZTESA-N 0 3 343.383 2.095 10 5 EEBEHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863031512 1296086259 /nfs/dbraw/zinc/08/62/59/1296086259.db2.gz HLIHMWVWPGVVCX-LLVKDONJSA-N 0 3 336.367 2.063 10 5 EEBEHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC001150119502 1316165511 /nfs/dbraw/zinc/16/55/11/1316165511.db2.gz DVVHMQQUXLMVET-AAEUAGOBSA-N 0 3 333.388 2.206 10 5 EEBEHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001299674568 1319893525 /nfs/dbraw/zinc/89/35/25/1319893525.db2.gz LCLZBBTXTXRZIK-PBHICJAKSA-N 0 3 340.383 2.269 10 5 EEBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1ccsn1 ZINC001280487634 1324251844 /nfs/dbraw/zinc/25/18/44/1324251844.db2.gz FGHIYFJUTFZTTF-UHFFFAOYSA-N 0 3 346.412 2.494 10 5 EEBEHN CCNc1ccc(C(=O)NCCN2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001617112885 1352336505 /nfs/dbraw/zinc/33/65/05/1352336505.db2.gz XSHBFYPMZWVVEO-UHFFFAOYSA-N 0 3 334.420 2.488 10 5 EEBEHN CCN1C[C@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001639266446 1352696210 /nfs/dbraw/zinc/69/62/10/1352696210.db2.gz LQKMWZLIPICIAR-AWEZNQCLSA-N 0 3 339.367 2.203 10 5 EEBEHN CN(CCCN(C)C(=O)C1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001673412436 1356688663 /nfs/dbraw/zinc/68/86/63/1356688663.db2.gz LVKFDTMEGQJDDT-UHFFFAOYSA-N 0 3 349.431 2.302 10 5 EEBEHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3ncccn3)CC2)cc1 ZINC001460804821 1110324757 /nfs/dbraw/zinc/32/47/57/1110324757.db2.gz CFYPSJGPTXZUJQ-MRXNPFEDSA-N 0 3 328.372 2.298 10 5 EEBEHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001545287325 1124185926 /nfs/dbraw/zinc/18/59/26/1124185926.db2.gz RBYVEDAUGBSEPF-UHFFFAOYSA-N 0 3 348.428 2.443 10 5 EEBEHN CN(C)[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 ZINC000447675051 242301378 /nfs/dbraw/zinc/30/13/78/242301378.db2.gz JUUKTLDTJMJMEO-HNNXBMFYSA-N 0 3 339.399 2.478 10 5 EEBEHN O=[N+]([O-])c1ccc2sc([S@@](=O)C[C@@H]3CCCCN3)nc2c1 ZINC000095092228 218280095 /nfs/dbraw/zinc/28/00/95/218280095.db2.gz MQAMDBRSOMYOLB-JLTPVHFHSA-N 0 3 325.415 2.454 10 5 EEBEHN Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000160736229 291938782 /nfs/dbraw/zinc/93/87/82/291938782.db2.gz UJORCARMUIMQJY-LLVKDONJSA-N 0 3 335.385 2.075 10 5 EEBEHN Cc1c(NC(=O)[C@@H](C)N2CCCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000172542681 152091960 /nfs/dbraw/zinc/09/19/60/152091960.db2.gz PLAFQKRSWNNUGF-CQSZACIVSA-N 0 3 346.431 2.400 10 5 EEBEHN CCOC(=O)c1ccnc(N[C@H]2CN(C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247491299 160326250 /nfs/dbraw/zinc/32/62/50/160326250.db2.gz WWXIZAOWHDUULI-YPMHNXCESA-N 0 3 336.392 2.307 10 5 EEBEHN CO[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1C ZINC000342740208 161086890 /nfs/dbraw/zinc/08/68/90/161086890.db2.gz RATONQXXTRGACD-LRDDRELGSA-N 0 3 349.387 2.250 10 5 EEBEHN CN(Cc1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000364316385 165093803 /nfs/dbraw/zinc/09/38/03/165093803.db2.gz LSPHHAFUVPSCEQ-UHFFFAOYSA-N 0 3 327.388 2.486 10 5 EEBEHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000271691392 268851175 /nfs/dbraw/zinc/85/11/75/268851175.db2.gz KIRPIGZSNDRNJV-GFCCVEGCSA-N 0 3 349.412 2.136 10 5 EEBEHN Cc1nc(N2CC[C@@H](OCCN3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000095974186 281935678 /nfs/dbraw/zinc/93/56/78/281935678.db2.gz WALFQYYKQRFDFJ-OAHLLOKOSA-N 0 3 334.420 2.379 10 5 EEBEHN Cc1cc(S(=O)(=O)N[C@H](C)CN(C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416483897 313234543 /nfs/dbraw/zinc/23/45/43/313234543.db2.gz OTRZMKPXYTYMRL-CYBMUJFWSA-N 0 3 343.449 2.219 10 5 EEBEHN COCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421762955 314158201 /nfs/dbraw/zinc/15/82/01/314158201.db2.gz OXHJVVDPEOCJQW-CQSZACIVSA-N 0 3 335.404 2.052 10 5 EEBEHN Cc1ccc([C@H](C)NC(=O)NCCNc2ccncc2)cc1[N+](=O)[O-] ZINC000493031114 315859243 /nfs/dbraw/zinc/85/92/43/315859243.db2.gz ICAYUQJZPQNBMI-ZDUSSCGKSA-N 0 3 343.387 2.192 10 5 EEBEHN COc1cccc([N+](=O)[O-])c1N1CCN(CC2CCOCC2)CC1 ZINC000567627257 319399234 /nfs/dbraw/zinc/39/92/34/319399234.db2.gz KAYYHJRQLNGZGP-UHFFFAOYSA-N 0 3 335.404 2.152 10 5 EEBEHN NC(=O)c1ccc(CN[C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000127841550 462587898 /nfs/dbraw/zinc/58/78/98/462587898.db2.gz GXGSKLJILAMJDC-LSDHHAIUSA-N 0 3 343.387 2.164 10 5 EEBEHN Cc1cc(NC(=O)Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000153680501 462677956 /nfs/dbraw/zinc/67/79/56/462677956.db2.gz PKDDMGVXKNVXLW-UHFFFAOYSA-N 0 3 332.364 2.305 10 5 EEBEHN CC[C@H](CO)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000078524540 463124869 /nfs/dbraw/zinc/12/48/69/463124869.db2.gz XGTBOGRJQKNEBP-CYBMUJFWSA-N 0 3 330.388 2.036 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000080611652 463336686 /nfs/dbraw/zinc/33/66/86/463336686.db2.gz SBVOIJGADBLDEV-MRXNPFEDSA-N 0 3 332.448 2.367 10 5 EEBEHN CC[C@H](NCCn1nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000161657658 463446581 /nfs/dbraw/zinc/44/65/81/463446581.db2.gz POONTSBMUORTJH-HNNXBMFYSA-N 0 3 341.371 2.145 10 5 EEBEHN COCCN1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171218002 463816706 /nfs/dbraw/zinc/81/67/06/463816706.db2.gz WOIXZWAHEPINQP-CYBMUJFWSA-N 0 3 348.403 2.002 10 5 EEBEHN COc1cccc(C(=O)NC[C@H]2CCCN2CC(C)C)c1[N+](=O)[O-] ZINC000194754732 463923032 /nfs/dbraw/zinc/92/30/32/463923032.db2.gz YMDSEJBQKSETDR-CYBMUJFWSA-N 0 3 335.404 2.454 10 5 EEBEHN Cc1c(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000262203671 463971046 /nfs/dbraw/zinc/97/10/46/463971046.db2.gz KSOSBRYDMRBPFI-DHSIGJKJSA-N 0 3 347.415 2.052 10 5 EEBEHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000262254673 463983868 /nfs/dbraw/zinc/98/38/68/463983868.db2.gz QMOHYJOFWOZSDB-JCKWVBRZSA-N 0 3 347.415 2.086 10 5 EEBEHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCN(C2CC2)CC1 ZINC000172348226 464060610 /nfs/dbraw/zinc/06/06/10/464060610.db2.gz OFJYPHDRMMYUQG-CYBMUJFWSA-N 0 3 332.404 2.092 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000359095890 465375838 /nfs/dbraw/zinc/37/58/38/465375838.db2.gz KOTGWAKHALHMNP-GOEBONIOSA-N 0 3 347.463 2.069 10 5 EEBEHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353719673 466092836 /nfs/dbraw/zinc/09/28/36/466092836.db2.gz DRSMTQVRBYIHHU-AWEZNQCLSA-N 0 3 328.372 2.269 10 5 EEBEHN CCN1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H]1C ZINC000349589634 466154895 /nfs/dbraw/zinc/15/48/95/466154895.db2.gz ZFLKDOMPADJMDC-STQMWFEESA-N 0 3 344.419 2.309 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](c4nc[nH]n4)C3)co2)cc1 ZINC000425549812 467108942 /nfs/dbraw/zinc/10/89/42/467108942.db2.gz OGSFKNATALVBGW-GFCCVEGCSA-N 0 3 340.343 2.357 10 5 EEBEHN CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597946277 468720988 /nfs/dbraw/zinc/72/09/88/468720988.db2.gz NDFDVBMWBWKELF-LLVKDONJSA-N 0 3 343.330 2.362 10 5 EEBEHN CCS(=O)(=O)C1(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595107297 468759829 /nfs/dbraw/zinc/75/98/29/468759829.db2.gz WYZHNJSABRCEAN-ZDUSSCGKSA-N 0 3 340.445 2.473 10 5 EEBEHN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]1CN1CCCC1 ZINC000601147549 468761724 /nfs/dbraw/zinc/76/17/24/468761724.db2.gz RGLWDTUEYRHGJS-SNVBAGLBSA-N 0 3 347.341 2.412 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C2CC2)C(C)(C)CO)c1 ZINC000593031355 468845565 /nfs/dbraw/zinc/84/55/65/468845565.db2.gz DQNFNPXBWKTJPW-HNNXBMFYSA-N 0 3 336.388 2.268 10 5 EEBEHN CCN1CCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536986 468892852 /nfs/dbraw/zinc/89/28/52/468892852.db2.gz ZKWDXTZGXJUZTD-ZDUSSCGKSA-N 0 3 335.404 2.298 10 5 EEBEHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000598535580 468904674 /nfs/dbraw/zinc/90/46/74/468904674.db2.gz GYVCBUNYRROZAO-INIZCTEOSA-N 0 3 347.415 2.310 10 5 EEBEHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000595635458 468932866 /nfs/dbraw/zinc/93/28/66/468932866.db2.gz VEQZCMGBUKBUTA-UHOFOFEASA-N 0 3 338.404 2.259 10 5 EEBEHN Cc1c(NC(=O)[C@H](C)N[C@@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595781117 469006268 /nfs/dbraw/zinc/00/62/68/469006268.db2.gz KHEPOYNERRSZAF-GLQYFDAESA-N 0 3 333.388 2.123 10 5 EEBEHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)[C@H]2CCCO2)o1 ZINC000598990687 469078684 /nfs/dbraw/zinc/07/86/84/469078684.db2.gz QOCUNUCZEJITGV-DOTOQJQBSA-N 0 3 332.356 2.484 10 5 EEBEHN CN(CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccccc1 ZINC000587434186 469090009 /nfs/dbraw/zinc/09/00/09/469090009.db2.gz OQWNAURZRDCLTO-UHFFFAOYSA-N 0 3 330.388 2.213 10 5 EEBEHN [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000593739078 469118077 /nfs/dbraw/zinc/11/80/77/469118077.db2.gz VIMNNQQLCOXJBA-DXCKQFNASA-N 0 3 335.404 2.019 10 5 EEBEHN COc1cccc(N2CCC(N3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596269362 469227716 /nfs/dbraw/zinc/22/77/16/469227716.db2.gz RUKLUVLYRRAAFO-UHFFFAOYSA-N 0 3 335.404 2.295 10 5 EEBEHN Cc1cnc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596424596 469262916 /nfs/dbraw/zinc/26/29/16/469262916.db2.gz SZZMXHPCMTYSMP-MRXNPFEDSA-N 0 3 342.399 2.477 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599476369 469269796 /nfs/dbraw/zinc/26/97/96/469269796.db2.gz QYLXIVPZNAISCW-VIFPVBQESA-N 0 3 342.193 2.181 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000611761725 469317782 /nfs/dbraw/zinc/31/77/82/469317782.db2.gz SSXUCHGGYDBKMA-CQSZACIVSA-N 0 3 349.387 2.047 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000174255461 534095009 /nfs/dbraw/zinc/09/50/09/534095009.db2.gz YHFXIGPFELSZAC-BBRMVZONSA-N 0 3 334.420 2.261 10 5 EEBEHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000754221837 577802564 /nfs/dbraw/zinc/80/25/64/577802564.db2.gz JASNWJJHCRHRFF-RAXLEYEMSA-N 0 3 343.387 2.395 10 5 EEBEHN COc1cc(F)c([N+](=O)[O-])c(N2CCC(OCCN(C)C)CC2)c1 ZINC000747621338 577947047 /nfs/dbraw/zinc/94/70/47/577947047.db2.gz QPWDILCXAIIJAN-UHFFFAOYSA-N 0 3 341.383 2.290 10 5 EEBEHN CC(COC(=O)c1ccc(I)cc1)[N+](=O)[O-] ZINC000813110787 1201122019 /nfs/dbraw/zinc/12/20/19/1201122019.db2.gz JJLBMHVCIOZOER-ZETCQYMHSA-N 0 3 335.097 2.113 10 5 EEBEHN CC(COC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[N+](=O)[O-] ZINC000813111512 1201123194 /nfs/dbraw/zinc/12/31/94/1201123194.db2.gz UFUUYQLULDJXJB-AWEZNQCLSA-N 0 3 348.399 2.066 10 5 EEBEHN COCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136935404 1202471240 /nfs/dbraw/zinc/47/12/40/1202471240.db2.gz PSDBRLJPHIVMSL-LBPRGKRZSA-N 0 3 341.795 2.089 10 5 EEBEHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3CCC4(COC4)O3)CC2)cc1 ZINC000929747217 1206497325 /nfs/dbraw/zinc/49/73/25/1206497325.db2.gz BLZNHDIKKJDWRU-QGZVFWFLSA-N 0 3 348.399 2.386 10 5 EEBEHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3CCC4(COC4)O3)CC2)cc1 ZINC000929747213 1206497415 /nfs/dbraw/zinc/49/74/15/1206497415.db2.gz BLZNHDIKKJDWRU-KRWDZBQOSA-N 0 3 348.399 2.386 10 5 EEBEHN CNC(=O)C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000796610746 1221655928 /nfs/dbraw/zinc/65/59/28/1221655928.db2.gz HAINEKMOLXRZNJ-IAGOWNOFSA-N 0 3 343.383 2.095 10 5 EEBEHN CC(COC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)[N+](=O)[O-] ZINC000851036144 1277446890 /nfs/dbraw/zinc/44/68/90/1277446890.db2.gz DPRXNBAMMLAHLU-GXTWGEPZSA-N 0 3 342.351 2.415 10 5 EEBEHN CC[C@@H](NC[C@H](O)CN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001192813895 1282183601 /nfs/dbraw/zinc/18/36/01/1282183601.db2.gz CICWSKMAOIHYOW-UONOGXRCSA-N 0 3 349.353 2.491 10 5 EEBEHN C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001154879349 1317367326 /nfs/dbraw/zinc/36/73/26/1317367326.db2.gz CBPUWZDRPCEEPV-AWEZNQCLSA-N 0 3 346.431 2.482 10 5 EEBEHN CCN(CCCNC(=O)c1ccnnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001316903467 1331969540 /nfs/dbraw/zinc/96/95/40/1331969540.db2.gz JAYFHVFQSNEQJK-UHFFFAOYSA-N 0 3 343.387 2.027 10 5 EEBEHN CCc1ocnc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001317576466 1332305688 /nfs/dbraw/zinc/30/56/88/1332305688.db2.gz DGMLRFFHXOCYFW-UHFFFAOYSA-N 0 3 332.360 2.007 10 5 EEBEHN NC(=O)C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC001617104722 1352336576 /nfs/dbraw/zinc/33/65/76/1352336576.db2.gz XGNHGIUEZSDYQF-AWEZNQCLSA-N 0 3 341.795 2.008 10 5 EEBEHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC(N[C@H]2CCOC2)C1 ZINC001559290671 1342500383 /nfs/dbraw/zinc/50/03/83/1342500383.db2.gz XRLSTAOORFEXNP-JTQLQIEISA-N 0 3 331.294 2.181 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ncncc2C1 ZINC001654617055 1354153537 /nfs/dbraw/zinc/15/35/37/1354153537.db2.gz VGWXXCLGZXWTOM-UHFFFAOYSA-N 0 3 341.371 2.080 10 5 EEBEHN C[C@]1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CN2CCC1CC2 ZINC000912377176 788150542 /nfs/dbraw/zinc/15/05/42/788150542.db2.gz CUBCSKQLYIPHGL-KRWDZBQOSA-N 0 3 328.372 2.290 10 5 EEBEHN CCOc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115439492 152023231 /nfs/dbraw/zinc/02/32/31/152023231.db2.gz BRAFTRVQXRWWDL-ZDUSSCGKSA-N 0 3 335.404 2.407 10 5 EEBEHN O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000109818949 159353977 /nfs/dbraw/zinc/35/39/77/159353977.db2.gz IREFPPNPYCJXBG-GOSISDBHSA-N 0 3 333.432 2.324 10 5 EEBEHN CCOc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247406210 160323840 /nfs/dbraw/zinc/32/38/40/160323840.db2.gz MYIVMQJVZDYPOA-TZMCWYRMSA-N 0 3 335.404 2.406 10 5 EEBEHN CN(C)CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000356304100 163399969 /nfs/dbraw/zinc/39/99/69/163399969.db2.gz UIWPWJMIYVIQBQ-UHFFFAOYSA-N 0 3 343.330 2.362 10 5 EEBEHN CN1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000359038673 164043342 /nfs/dbraw/zinc/04/33/42/164043342.db2.gz GCZDVALKWPQMNV-UHFFFAOYSA-N 0 3 329.303 2.020 10 5 EEBEHN O=C(CCN1CCc2cc[nH]c(=O)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369596177 166292101 /nfs/dbraw/zinc/29/21/01/166292101.db2.gz SIJWMFNOTHPQSM-UHFFFAOYSA-N 0 3 342.355 2.082 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123005488 222197746 /nfs/dbraw/zinc/19/77/46/222197746.db2.gz BLXZPBLWLPQATP-ZIAGYGMSSA-N 0 3 335.404 2.305 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cn[nH]c1 ZINC000275134455 269097044 /nfs/dbraw/zinc/09/70/44/269097044.db2.gz CITPVUXYGWIBIP-SNVBAGLBSA-N 0 3 333.348 2.006 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000278467648 274360262 /nfs/dbraw/zinc/36/02/62/274360262.db2.gz JOJIDCXJUXLUCC-CQSZACIVSA-N 0 3 335.404 2.134 10 5 EEBEHN C[C@@H](CN1CCCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362508470 278252625 /nfs/dbraw/zinc/25/26/25/278252625.db2.gz HDBNOCOSDTXEFE-NSHDSACASA-N 0 3 341.358 2.406 10 5 EEBEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000392969886 312440943 /nfs/dbraw/zinc/44/09/43/312440943.db2.gz UMBQCCBXJFEILU-KCJUWKMLSA-N 0 3 342.193 2.114 10 5 EEBEHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000564884648 319122787 /nfs/dbraw/zinc/12/27/87/319122787.db2.gz KPNNABGSDRUKFZ-NSHDSACASA-N 0 3 341.358 2.358 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000591849702 468530352 /nfs/dbraw/zinc/53/03/52/468530352.db2.gz JFTJVFRMQKDWCC-FZMZJTMJSA-N 0 3 340.221 2.493 10 5 EEBEHN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000120693743 463027220 /nfs/dbraw/zinc/02/72/20/463027220.db2.gz SGCAHHUXTSJHHZ-UTDDRVLSSA-N 0 3 333.432 2.385 10 5 EEBEHN COCCN1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000080948190 463371669 /nfs/dbraw/zinc/37/16/69/463371669.db2.gz QPVPRKSJVAQWJI-UHFFFAOYSA-N 0 3 330.388 2.302 10 5 EEBEHN O=C(CCN1CCN2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000177767179 463786758 /nfs/dbraw/zinc/78/67/58/463786758.db2.gz ZQEMSRCMMZZATB-MRXNPFEDSA-N 0 3 332.404 2.094 10 5 EEBEHN O=C(CCN[C@H](CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183637742 464889362 /nfs/dbraw/zinc/88/93/62/464889362.db2.gz WDDLWIVMWIYGJO-MRXNPFEDSA-N 0 3 329.356 2.247 10 5 EEBEHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CN2CCC1CC2 ZINC000342922981 465391123 /nfs/dbraw/zinc/39/11/23/465391123.db2.gz ZLBOVHHHKOHQGV-HNNXBMFYSA-N 0 3 328.372 2.242 10 5 EEBEHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccncc1[N+](=O)[O-] ZINC000361011779 465701222 /nfs/dbraw/zinc/70/12/22/465701222.db2.gz DBGXLCRZBOBGQI-SFHVURJKSA-N 0 3 342.399 2.063 10 5 EEBEHN COc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])N(C)C)cc1OC ZINC000340153965 465823414 /nfs/dbraw/zinc/82/34/14/465823414.db2.gz WZDFIBATVUESCF-CQSZACIVSA-N 0 3 346.387 2.144 10 5 EEBEHN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594045672 468471215 /nfs/dbraw/zinc/47/12/15/468471215.db2.gz XOFSMEUJIRZLAT-JKSUJKDBSA-N 0 3 335.404 2.495 10 5 EEBEHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000597235806 468491050 /nfs/dbraw/zinc/49/10/50/468491050.db2.gz JGLXLBQNEQLDAU-UHFFFAOYSA-N 0 3 336.388 2.495 10 5 EEBEHN COc1cc(CNCCN2CC=C(C)CC2)c([N+](=O)[O-])cc1OC ZINC000358133655 466483724 /nfs/dbraw/zinc/48/37/24/466483724.db2.gz IKTJEXUVQGAQBU-UHFFFAOYSA-N 0 3 335.404 2.354 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CCN(C)C)n1 ZINC000427311438 467150076 /nfs/dbraw/zinc/15/00/76/467150076.db2.gz AYCYBYZMTGLBSH-UHFFFAOYSA-N 0 3 331.376 2.168 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](O)[C@@H]2CCc2ccccc2)n1 ZINC000592166850 468644418 /nfs/dbraw/zinc/64/44/18/468644418.db2.gz JSPZQIPAXVOMQK-DLBZAZTESA-N 0 3 344.415 2.249 10 5 EEBEHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](O)[C@@H]2CCc2ccccc2)n1 ZINC000592166852 468644656 /nfs/dbraw/zinc/64/46/56/468644656.db2.gz JSPZQIPAXVOMQK-IRXDYDNUSA-N 0 3 344.415 2.249 10 5 EEBEHN CN(CC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000597859254 468696587 /nfs/dbraw/zinc/69/65/87/468696587.db2.gz SGZLATSOIFJQTI-ZDUSSCGKSA-N 0 3 334.420 2.020 10 5 EEBEHN CC[C@H]1CN(CC)CCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593030163 468845967 /nfs/dbraw/zinc/84/59/67/468845967.db2.gz LTYBNCCEPNUEJA-HNNXBMFYSA-N 0 3 335.404 2.298 10 5 EEBEHN COc1ccc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000593040926 468849113 /nfs/dbraw/zinc/84/91/13/468849113.db2.gz JIGVEPXZRNLXTG-UHFFFAOYSA-N 0 3 331.376 2.075 10 5 EEBEHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(Cl)cc2Cl)c1 ZINC000572323894 468915641 /nfs/dbraw/zinc/91/56/41/468915641.db2.gz UKSMDUSQXDKGNY-LBPRGKRZSA-N 0 3 345.186 2.249 10 5 EEBEHN CO[C@H]1C[C@@H](CN2CCCC2)N(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000585814913 469045540 /nfs/dbraw/zinc/04/55/40/469045540.db2.gz RROGRELDRKSBKS-GJZGRUSLSA-N 0 3 334.420 2.296 10 5 EEBEHN CC1CCC(N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)CC1 ZINC000587979639 469097666 /nfs/dbraw/zinc/09/76/66/469097666.db2.gz YDPXIOLFNLYANL-UHFFFAOYSA-N 0 3 348.447 2.370 10 5 EEBEHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CC[C@H](O)C3)cc2)c(F)c1 ZINC000596425465 469262287 /nfs/dbraw/zinc/26/22/87/469262287.db2.gz YUMIACRBSZCPBL-HNNXBMFYSA-N 0 3 346.362 2.308 10 5 EEBEHN O=[N+]([O-])c1cnc(NCc2ccc(CN3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000596425472 469262858 /nfs/dbraw/zinc/26/28/58/469262858.db2.gz YUMIACRBSZCPBL-OAHLLOKOSA-N 0 3 346.362 2.308 10 5 EEBEHN CN1CCC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610105212 469981335 /nfs/dbraw/zinc/98/13/35/469981335.db2.gz HYEKLWLXPPKWJS-HNNXBMFYSA-N 0 3 334.420 2.311 10 5 EEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000175036706 529304620 /nfs/dbraw/zinc/30/46/20/529304620.db2.gz ZNMTUQTYGUWATN-UONOGXRCSA-N 0 3 333.388 2.302 10 5 EEBEHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000754221836 577802560 /nfs/dbraw/zinc/80/25/60/577802560.db2.gz JASNWJJHCRHRFF-JLHYYAGUSA-N 0 3 343.387 2.395 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000928433660 683113366 /nfs/dbraw/zinc/11/33/66/683113366.db2.gz AWPYVXULJNUTBD-WPRPVWTQSA-N 0 3 329.303 2.019 10 5 EEBEHN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2CC[N+](=O)[O-])C1 ZINC000930582893 684097844 /nfs/dbraw/zinc/09/78/44/684097844.db2.gz KUBWYHHHQZEPJM-UONOGXRCSA-N 0 3 327.425 2.375 10 5 EEBEHN Cn1ccc(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001482997155 1187976595 /nfs/dbraw/zinc/97/65/95/1187976595.db2.gz LEZLLUYQOKWSIX-IHWYPQMZSA-N 0 3 328.372 2.009 10 5 EEBEHN CCc1cc(C(=O)N(CC)CCNCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001273274954 1197943365 /nfs/dbraw/zinc/94/33/65/1197943365.db2.gz QYIRPCFKLMTSGM-UHFFFAOYSA-N 0 3 345.403 2.132 10 5 EEBEHN CCN(CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000810055636 1199227598 /nfs/dbraw/zinc/22/75/98/1199227598.db2.gz VAQWOCWVOCWHGY-UHFFFAOYSA-N 0 3 336.797 2.299 10 5 EEBEHN O=C(N[C@@]12CCN(C1)CCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001132687300 1199928360 /nfs/dbraw/zinc/92/83/60/1199928360.db2.gz UIPHRXWFEQGQLP-KRWDZBQOSA-N 0 3 326.356 2.111 10 5 EEBEHN CC(COC(=O)Cc1ccccc1I)[N+](=O)[O-] ZINC000813107037 1201116027 /nfs/dbraw/zinc/11/60/27/1201116027.db2.gz KRJXKPWJJMWPIB-MRVPVSSYSA-N 0 3 349.124 2.042 10 5 EEBEHN O=C(CC1CCOCC1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001273918530 1289837584 /nfs/dbraw/zinc/83/75/84/1289837584.db2.gz HCLJGJOXJIJAIT-UPHRSURJSA-N 0 3 347.415 2.174 10 5 EEBEHN CN(CCCNC(=O)c1ccc(F)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265829278 1323407959 /nfs/dbraw/zinc/40/79/59/1323407959.db2.gz VWMZZIQMYBEORH-UHFFFAOYSA-N 0 3 346.362 2.381 10 5 EEBEHN Cc1cncc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001567477615 1342767042 /nfs/dbraw/zinc/76/70/42/1342767042.db2.gz MOQRSSZJYPOKAE-UHFFFAOYSA-N 0 3 328.372 2.160 10 5 EEBEHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)c1ccc[nH]1 ZINC001673144160 1354128076 /nfs/dbraw/zinc/12/80/76/1354128076.db2.gz LAMCRDCCXNURQQ-UHFFFAOYSA-N 0 3 328.372 2.365 10 5 EEBEHN C/C=C(\C)C(=O)N1CCC(O)(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001674066417 1356782788 /nfs/dbraw/zinc/78/27/88/1356782788.db2.gz NPEMFMYBGMRYDS-LZWSPWQCSA-N 0 3 347.415 2.004 10 5 EEBEHN CC(COC(=O)C1(Cc2ccc(F)cc2)CCOCC1)[N+](=O)[O-] ZINC000816091319 783664547 /nfs/dbraw/zinc/66/45/47/783664547.db2.gz RXTLPEIFWRMPNK-LBPRGKRZSA-N 0 3 325.336 2.373 10 5 EEBEHN CCC(CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000788920246 807761541 /nfs/dbraw/zinc/76/15/41/807761541.db2.gz QBFZBYDSJPIXJB-LLVKDONJSA-N 0 3 349.478 2.301 10 5 EEBEHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001473602454 1110577339 /nfs/dbraw/zinc/57/73/39/1110577339.db2.gz RCCQHRXOFJHNCL-MNOVXSKESA-N 0 3 330.344 2.347 10 5 EEBEHN CNCc1cnn(Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000054719184 214252959 /nfs/dbraw/zinc/25/29/59/214252959.db2.gz LUOFAZPRNOFPDL-UHFFFAOYSA-N 0 3 325.166 2.322 10 5 EEBEHN COC(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000066835953 215085088 /nfs/dbraw/zinc/08/50/88/215085088.db2.gz ZVBYDVLFKRUVQH-CYBMUJFWSA-N 0 3 349.387 2.117 10 5 EEBEHN CN(c1ncnc(N2CCCCCC2)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040610141 213358093 /nfs/dbraw/zinc/35/80/93/213358093.db2.gz RJBQWBSSTZCHAZ-UHFFFAOYSA-N 0 3 348.451 2.296 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451589544 243169107 /nfs/dbraw/zinc/16/91/07/243169107.db2.gz VSZDPDPOBONGJQ-UPJWGTAASA-N 0 3 349.387 2.243 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000119735910 221388938 /nfs/dbraw/zinc/38/89/38/221388938.db2.gz LPFDFZRIXIEJDY-INIZCTEOSA-N 0 3 334.420 2.311 10 5 EEBEHN C[N@H+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000068346251 292162261 /nfs/dbraw/zinc/16/22/61/292162261.db2.gz SRGHNPGMKYAQMV-UHFFFAOYSA-N 0 3 347.462 2.199 10 5 EEBEHN C[N@@H+](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000068346251 292162262 /nfs/dbraw/zinc/16/22/62/292162262.db2.gz SRGHNPGMKYAQMV-UHFFFAOYSA-N 0 3 347.462 2.199 10 5 EEBEHN C[C@@H]1CCCCN1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079561332 159134053 /nfs/dbraw/zinc/13/40/53/159134053.db2.gz OHRHXJBETYEJCS-CQSZACIVSA-N 0 3 334.420 2.022 10 5 EEBEHN Cc1ccc([C@H](C)NC(=O)N2CCN3CCC2CC3)cc1[N+](=O)[O-] ZINC000375221867 167090626 /nfs/dbraw/zinc/09/06/26/167090626.db2.gz HHLOXKZGIUWZPP-ZDUSSCGKSA-N 0 3 332.404 2.454 10 5 EEBEHN COCCN1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000122775431 222155225 /nfs/dbraw/zinc/15/52/25/222155225.db2.gz RVYQPSNSFVXCHZ-UHFFFAOYSA-N 0 3 327.356 2.265 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1C ZINC000123164011 222227915 /nfs/dbraw/zinc/22/79/15/222227915.db2.gz SPZZYOWRJROEQC-JQWIXIFHSA-N 0 3 336.348 2.058 10 5 EEBEHN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCN2CCC[C@@H]2C1 ZINC000171585101 227154127 /nfs/dbraw/zinc/15/41/27/227154127.db2.gz ORSLZMJXZCQHFH-OAHLLOKOSA-N 0 3 344.415 2.115 10 5 EEBEHN CCC(=O)c1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000280016962 269322109 /nfs/dbraw/zinc/32/21/09/269322109.db2.gz JNSDXGXILBTMKY-AWEZNQCLSA-N 0 3 335.404 2.446 10 5 EEBEHN O=c1ccc([N+](=O)[O-])cn1CCN(C[C@@H]1CCCO1)C1CCCC1 ZINC000159849686 311347015 /nfs/dbraw/zinc/34/70/15/311347015.db2.gz GUTUOXKMZDBHFW-INIZCTEOSA-N 0 3 335.404 2.180 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1CNCC1(CS(C)(=O)=O)CCC1 ZINC000414551256 313039205 /nfs/dbraw/zinc/03/92/05/313039205.db2.gz FCHFKNRLLYEPNW-UHFFFAOYSA-N 0 3 326.418 2.208 10 5 EEBEHN CCOC(=O)c1cc(N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425288230 314373045 /nfs/dbraw/zinc/37/30/45/314373045.db2.gz UDKDIYHYAOTOEG-BLLLJJGKSA-N 0 3 333.388 2.302 10 5 EEBEHN C[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(=O)[nH]n1 ZINC000558164254 318703183 /nfs/dbraw/zinc/70/31/83/318703183.db2.gz AHPNCSGEUCQHSU-SNVBAGLBSA-N 0 3 327.344 2.465 10 5 EEBEHN COc1cc(CN[C@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000077423133 462983704 /nfs/dbraw/zinc/98/37/04/462983704.db2.gz GPZYNPJHMYUCEW-RKDXNWHRSA-N 0 3 334.319 2.311 10 5 EEBEHN C[C@]1(CNc2ncc([N+](=O)[O-])c(N)n2)CCCN1Cc1ccccc1 ZINC000160794764 463371843 /nfs/dbraw/zinc/37/18/43/463371843.db2.gz BLECDSMZVSNVBT-QGZVFWFLSA-N 0 3 342.403 2.434 10 5 EEBEHN Cc1c([C@H](C)N[C@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000164918875 463636816 /nfs/dbraw/zinc/63/68/16/463636816.db2.gz GSUNOOGNEQYNAP-YOEHRIQHSA-N 0 3 349.431 2.437 10 5 EEBEHN CN(C)[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000170864145 463726944 /nfs/dbraw/zinc/72/69/44/463726944.db2.gz PUEQGMHPHAHGRU-ZDUSSCGKSA-N 0 3 346.412 2.494 10 5 EEBEHN O=[N+]([O-])c1ccc2[nH]c(N3CCC(CN4CCOCC4)CC3)nc2c1 ZINC000277708754 463925296 /nfs/dbraw/zinc/92/52/96/463925296.db2.gz GAHSJGHLIVBIII-UHFFFAOYSA-N 0 3 345.403 2.020 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2noc(CN3CCCN(C4CC4)CC3)n2)cc1 ZINC000172345830 464058490 /nfs/dbraw/zinc/05/84/90/464058490.db2.gz LLJLGJMMZYFNQX-UHFFFAOYSA-N 0 3 343.387 2.315 10 5 EEBEHN Cc1ccc([C@H]2CCCCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173654133 464301338 /nfs/dbraw/zinc/30/13/38/464301338.db2.gz FVAZTOOEQDQVNV-LSDHHAIUSA-N 0 3 334.376 2.281 10 5 EEBEHN Cc1cc(N2CCCN(CCO)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000292785120 464341591 /nfs/dbraw/zinc/34/15/91/464341591.db2.gz MXWOQFFXCWVAHK-UHFFFAOYSA-N 0 3 347.337 2.426 10 5 EEBEHN COc1cc(C(=O)NCCN2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000294335396 464470067 /nfs/dbraw/zinc/47/00/67/464470067.db2.gz FDGYWWDNFCNWEG-LLVKDONJSA-N 0 3 339.367 2.347 10 5 EEBEHN CC(C)Oc1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591083820 468406080 /nfs/dbraw/zinc/40/60/80/468406080.db2.gz VJEANMDGGXWXMH-ZFWWWQNUSA-N 0 3 333.388 2.158 10 5 EEBEHN C[C@H]1C[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1C ZINC000272220849 464523496 /nfs/dbraw/zinc/52/34/96/464523496.db2.gz KNJGYRTWIMKSLS-ONGXEEELSA-N 0 3 349.416 2.154 10 5 EEBEHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295105817 464707282 /nfs/dbraw/zinc/70/72/82/464707282.db2.gz XTRDIDLBMLJBSA-WDEREUQCSA-N 0 3 339.367 2.297 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000265919131 464733346 /nfs/dbraw/zinc/73/33/46/464733346.db2.gz BRQBOXUXZWSWRU-HIFRSBDPSA-N 0 3 344.415 2.491 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1C ZINC000266746626 464806988 /nfs/dbraw/zinc/80/69/88/464806988.db2.gz GCQLBDLZONTYTQ-UKRRQHHQSA-N 0 3 334.420 2.261 10 5 EEBEHN CCN1CCC[C@@H]1CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000176989908 464901091 /nfs/dbraw/zinc/90/10/91/464901091.db2.gz XGRBULVDTDGHPF-CQSZACIVSA-N 0 3 335.404 2.306 10 5 EEBEHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000366598049 465825712 /nfs/dbraw/zinc/82/57/12/465825712.db2.gz NFEJREREMOWTCY-BBRMVZONSA-N 0 3 340.383 2.383 10 5 EEBEHN CN(C)CCN(Cc1ccccn1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450394176 467841655 /nfs/dbraw/zinc/84/16/55/467841655.db2.gz RPRWQKBZWBQGSU-UHFFFAOYSA-N 0 3 340.387 2.434 10 5 EEBEHN COc1ncccc1CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589326440 468142914 /nfs/dbraw/zinc/14/29/14/468142914.db2.gz OURAMWFOJJENDJ-UHFFFAOYSA-N 0 3 345.355 2.102 10 5 EEBEHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590447246 468259114 /nfs/dbraw/zinc/25/91/14/468259114.db2.gz WOMMPLDOXWBMBF-ZANVPECISA-N 0 3 343.305 2.390 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NC[C@@H](O)CN1CCCCC1)CCCC2 ZINC000591896736 468553638 /nfs/dbraw/zinc/55/36/38/468553638.db2.gz QLVSHJKMKHWSEZ-CQSZACIVSA-N 0 3 334.420 2.127 10 5 EEBEHN CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000597946974 468721161 /nfs/dbraw/zinc/72/11/61/468721161.db2.gz UJQWOFHACAONLS-MRXNPFEDSA-N 0 3 334.420 2.340 10 5 EEBEHN COCCN1CCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033608 468746579 /nfs/dbraw/zinc/74/65/79/468746579.db2.gz GZRVPXGNAHHAIR-UKRRQHHQSA-N 0 3 337.420 2.365 10 5 EEBEHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598535563 468904799 /nfs/dbraw/zinc/90/47/99/468904799.db2.gz GQHRQFGZKHHPQM-INIZCTEOSA-N 0 3 347.415 2.310 10 5 EEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H](CCF)C2)c1 ZINC000595754416 468991126 /nfs/dbraw/zinc/99/11/26/468991126.db2.gz BCYRXULMMBBCQO-HIFRSBDPSA-N 0 3 326.368 2.406 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(CNC4)C3)s2)cc1 ZINC000596103215 469156230 /nfs/dbraw/zinc/15/62/30/469156230.db2.gz CYBPAEKEGHGXMK-UHFFFAOYSA-N 0 3 345.424 2.498 10 5 EEBEHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c(OC)c1 ZINC000599599005 469304376 /nfs/dbraw/zinc/30/43/76/469304376.db2.gz DJSLLQZBCPCAGG-LBPRGKRZSA-N 0 3 347.371 2.125 10 5 EEBEHN CN1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000604198339 469462452 /nfs/dbraw/zinc/46/24/52/469462452.db2.gz GXLUSSMNZFCAFS-OAHLLOKOSA-N 0 3 346.431 2.022 10 5 EEBEHN CN(C)CCn1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000609503186 469933468 /nfs/dbraw/zinc/93/34/68/469933468.db2.gz CUAKBVRLMHMXEG-UHFFFAOYSA-N 0 3 337.767 2.259 10 5 EEBEHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1COCCN1C ZINC000872090166 1198044354 /nfs/dbraw/zinc/04/43/54/1198044354.db2.gz MYFLAOKSUBVWON-AAEUAGOBSA-N 0 3 325.434 2.298 10 5 EEBEHN CC(COC(=O)c1cn(C(C)(C)C)nc1Br)[N+](=O)[O-] ZINC000813106349 1201117768 /nfs/dbraw/zinc/11/77/68/1201117768.db2.gz BJWVUNQSVORAGT-SSDOTTSWSA-N 0 3 334.170 2.223 10 5 EEBEHN CC(COC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813107258 1201119348 /nfs/dbraw/zinc/11/93/48/1201119348.db2.gz NUUAVMMYOXOZBC-JTQLQIEISA-N 0 3 349.792 2.102 10 5 EEBEHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000931261601 1206620111 /nfs/dbraw/zinc/62/01/11/1206620111.db2.gz CJPWAIYIALNLBH-SMDDNHRTSA-N 0 3 334.376 2.161 10 5 EEBEHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933760603 1207836915 /nfs/dbraw/zinc/83/69/15/1207836915.db2.gz WNLHFKYRPQWDRY-KSSFIOAISA-N 0 3 347.415 2.469 10 5 EEBEHN CCN(CCCNC(=O)c1cnc(C)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265104478 1322921363 /nfs/dbraw/zinc/92/13/63/1322921363.db2.gz ULKKXUFVMWYYEG-UHFFFAOYSA-N 0 3 345.403 2.268 10 5 EEBEHN Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001587517342 1348863356 /nfs/dbraw/zinc/86/33/56/1348863356.db2.gz NSBUUXZBFOFFJJ-UHFFFAOYSA-N 0 3 330.344 2.318 10 5 EEBEHN CC(COC(=O)C1(Cc2ccc(F)cc2)CCOCC1)[N+](=O)[O-] ZINC000816091318 783664073 /nfs/dbraw/zinc/66/40/73/783664073.db2.gz RXTLPEIFWRMPNK-GFCCVEGCSA-N 0 3 325.336 2.373 10 5 EEBEHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911473416 787466521 /nfs/dbraw/zinc/46/65/21/787466521.db2.gz CFDWFZSHDYVLQD-AOOOYVTPSA-N 0 3 327.331 2.362 10 5 EEBEHN O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001177806533 799131861 /nfs/dbraw/zinc/13/18/61/799131861.db2.gz VVADBCZAYNRBSS-LBPRGKRZSA-N 0 3 347.350 2.308 10 5 EEBEHN C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)Cc2c[nH]nc21 ZINC001460602159 1110319220 /nfs/dbraw/zinc/31/92/20/1110319220.db2.gz FROMHKDUAWMORO-JTQLQIEISA-N 0 3 347.350 2.405 10 5 EEBEHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1(CF)CCC1 ZINC001568922504 1124950354 /nfs/dbraw/zinc/95/03/54/1124950354.db2.gz XRMOYQQMJYINID-UPHRSURJSA-N 0 3 335.379 2.497 10 5 EEBEHN C[C@@H]1[C@H](CO)CCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000425967437 241189402 /nfs/dbraw/zinc/18/94/02/241189402.db2.gz OHSMZBSOGWFCRG-OCCSQVGLSA-N 0 3 330.388 2.198 10 5 EEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1cccnc1)C1CC1 ZINC000445814979 242133753 /nfs/dbraw/zinc/13/37/53/242133753.db2.gz FKIFMQALTHCDSB-QAPCUYQASA-N 0 3 343.383 2.470 10 5 EEBEHN Cc1sc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267093488 256026685 /nfs/dbraw/zinc/02/66/85/256026685.db2.gz IYUXIOPVBAKTFM-ZDUSSCGKSA-N 0 3 329.447 2.132 10 5 EEBEHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(-n2ccnc2)c1 ZINC000189896252 533406386 /nfs/dbraw/zinc/40/63/86/533406386.db2.gz WEZBQMGLROEDMI-CYBMUJFWSA-N 0 3 326.360 2.328 10 5 EEBEHN CCOc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1[N+](=O)[O-] ZINC000359482372 153390269 /nfs/dbraw/zinc/39/02/69/153390269.db2.gz SQODAMLUOWYMRG-UHFFFAOYSA-N 0 3 347.375 2.004 10 5 EEBEHN CCOC(=O)c1ccnc(N2C[C@H]3CCCN3C[C@H]2CC)c1[N+](=O)[O-] ZINC000174924066 276300912 /nfs/dbraw/zinc/30/09/12/276300912.db2.gz HQQBZDMNDWSYML-CHWSQXEVSA-N 0 3 348.403 2.230 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CN3CCN(C)CC3)CC2)n1 ZINC000359085393 280398309 /nfs/dbraw/zinc/39/83/09/280398309.db2.gz SWGHRCJUIWUXDX-UHFFFAOYSA-N 0 3 347.463 2.070 10 5 EEBEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069440605 463247168 /nfs/dbraw/zinc/24/71/68/463247168.db2.gz KAWFVQPTZKOENQ-QGZVFWFLSA-N 0 3 341.411 2.426 10 5 EEBEHN CC(C)C[C@H](CN(C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193827355 463744668 /nfs/dbraw/zinc/74/46/68/463744668.db2.gz ZYCSYFRIYMPTHX-OAHLLOKOSA-N 0 3 336.436 2.413 10 5 EEBEHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCN(C2CC2)CC1 ZINC000172347846 464060705 /nfs/dbraw/zinc/06/07/05/464060705.db2.gz LKGIREVPFJVFHL-ZDUSSCGKSA-N 0 3 332.404 2.092 10 5 EEBEHN CN1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000284569508 464247168 /nfs/dbraw/zinc/24/71/68/464247168.db2.gz OEBDRTLKVAVQAY-SJORKVTESA-N 0 3 328.372 2.052 10 5 EEBEHN CC(C)c1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000188929882 464399040 /nfs/dbraw/zinc/39/90/40/464399040.db2.gz ACXRFMNQYHPRJP-UHFFFAOYSA-N 0 3 348.447 2.038 10 5 EEBEHN CC[C@H](NC[C@H](O)COC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181546456 464505244 /nfs/dbraw/zinc/50/52/44/464505244.db2.gz CPJUSTQJPJBHEW-ULQDDVLXSA-N 0 3 338.404 2.192 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265370258 464534513 /nfs/dbraw/zinc/53/45/13/464534513.db2.gz NZWUZRWXEYACOO-LBPRGKRZSA-N 0 3 341.795 2.228 10 5 EEBEHN CCN1CC[C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000294577919 464541617 /nfs/dbraw/zinc/54/16/17/464541617.db2.gz PQHFKLCYOQMBFH-ZDUSSCGKSA-N 0 3 333.388 2.016 10 5 EEBEHN CCOc1cc(N2CCN(C[C@H](C)O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000246499728 464592037 /nfs/dbraw/zinc/59/20/37/464592037.db2.gz RZBPXULRLNVHJA-UONOGXRCSA-N 0 3 337.420 2.275 10 5 EEBEHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000249713062 464906367 /nfs/dbraw/zinc/90/63/67/464906367.db2.gz ZEKOTXKTSXXAFB-SMDDNHRTSA-N 0 3 335.404 2.467 10 5 EEBEHN Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)N(C)C)cc1 ZINC000299336183 465704003 /nfs/dbraw/zinc/70/40/03/465704003.db2.gz IZZCFMGXQHZOAW-OAHLLOKOSA-N 0 3 343.387 2.112 10 5 EEBEHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331104025 465935065 /nfs/dbraw/zinc/93/50/65/465935065.db2.gz FJFKLPIZQJWYKR-NSHDSACASA-N 0 3 341.358 2.216 10 5 EEBEHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000597210055 468480356 /nfs/dbraw/zinc/48/03/56/468480356.db2.gz TZMXEJIZSOYJDP-NFAWXSAZSA-N 0 3 340.445 2.471 10 5 EEBEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000341063214 466553322 /nfs/dbraw/zinc/55/33/22/466553322.db2.gz DVYTVPHPWXPLEU-OKILXGFUSA-N 0 3 335.404 2.353 10 5 EEBEHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420385704 467389316 /nfs/dbraw/zinc/38/93/16/467389316.db2.gz UELCJNBUSMVVOR-BLLLJJGKSA-N 0 3 330.392 2.043 10 5 EEBEHN CCOc1ccc([C@@H](C)NCC[C@](C)(O)COC)cc1[N+](=O)[O-] ZINC000453245469 467469606 /nfs/dbraw/zinc/46/96/06/467469606.db2.gz BWQCDARKPZBTDS-WBMJQRKESA-N 0 3 326.393 2.432 10 5 EEBEHN CN1CC[C@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408039673 467498957 /nfs/dbraw/zinc/49/89/57/467498957.db2.gz XDJCSRFKVLCTNX-LSDHHAIUSA-N 0 3 325.796 2.153 10 5 EEBEHN CC[C@@H](CO)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450364626 467835628 /nfs/dbraw/zinc/83/56/28/467835628.db2.gz YZGGIEFOANAQHJ-ZDUSSCGKSA-N 0 3 330.388 2.036 10 5 EEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488907074 468111088 /nfs/dbraw/zinc/11/10/88/468111088.db2.gz ILFBOTCEPNOJIR-INIZCTEOSA-N 0 3 346.362 2.470 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CCCn2ccnc2C)c1 ZINC000589516125 468160001 /nfs/dbraw/zinc/16/00/01/468160001.db2.gz FOUYTHJXHYBAMW-UHFFFAOYSA-N 0 3 346.387 2.408 10 5 EEBEHN O=C(NC[C@H]1CCN1C1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600471543 468567492 /nfs/dbraw/zinc/56/74/92/468567492.db2.gz LIZXYKNPLWKKBN-CYBMUJFWSA-N 0 3 343.387 2.218 10 5 EEBEHN C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000597695094 468641261 /nfs/dbraw/zinc/64/12/61/468641261.db2.gz QALCMRACVWHJEB-IAOVAPTHSA-N 0 3 347.415 2.020 10 5 EEBEHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cs1 ZINC000594989054 468739307 /nfs/dbraw/zinc/73/93/07/468739307.db2.gz FNJVYEYTVHDVKV-ZIAGYGMSSA-N 0 3 337.445 2.389 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CCN2CCCCC2)c1 ZINC000593113378 468875745 /nfs/dbraw/zinc/87/57/45/468875745.db2.gz ZMIODIDDBXWULS-UHFFFAOYSA-N 0 3 335.404 2.299 10 5 EEBEHN C[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)N1CCN(C)CC1 ZINC000593461463 468989828 /nfs/dbraw/zinc/98/98/28/468989828.db2.gz LVCBBMJVZDCWKW-CYBMUJFWSA-N 0 3 329.404 2.191 10 5 EEBEHN Cn1nccc1[C@H](CO)N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599057192 469103074 /nfs/dbraw/zinc/10/30/74/469103074.db2.gz XZMMYXWNMATIPC-BMFZPTHFSA-N 0 3 344.415 2.363 10 5 EEBEHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599626101 469314686 /nfs/dbraw/zinc/31/46/86/469314686.db2.gz UEKDECKHMNFMBA-UPBMQRFZSA-N 0 3 333.388 2.102 10 5 EEBEHN Cc1nn(CN(C)[C@@H]2CCN(C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764988888 577492461 /nfs/dbraw/zinc/49/24/61/577492461.db2.gz FHZOKDORCOUGDY-OAHLLOKOSA-N 0 3 329.404 2.379 10 5 EEBEHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cscn1 ZINC001268438133 1182612698 /nfs/dbraw/zinc/61/26/98/1182612698.db2.gz CZFFCVBLWGNOFS-UHFFFAOYSA-N 0 3 334.401 2.303 10 5 EEBEHN CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852351149 1292096965 /nfs/dbraw/zinc/09/69/65/1292096965.db2.gz JAELBCVJKNEPOG-DFBGVHRSSA-N 0 3 326.368 2.390 10 5 EEBEHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@]12CCN(C1)CCC2 ZINC001152586680 1316693709 /nfs/dbraw/zinc/69/37/09/1316693709.db2.gz QXGLNTCYRKZZQA-KRWDZBQOSA-N 0 3 332.404 2.141 10 5 EEBEHN Cc1n[nH]cc1C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001280495100 1324255487 /nfs/dbraw/zinc/25/54/87/1324255487.db2.gz KJBGZEIJIAAJGL-UHFFFAOYSA-N 0 3 343.387 2.069 10 5 EEBEHN O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CN3CCC[C@@H]3CO1)CCCC2 ZINC001328119496 1334400435 /nfs/dbraw/zinc/40/04/35/1334400435.db2.gz MWGDMHNAAMMTAU-ZIAGYGMSSA-N 0 3 332.404 2.144 10 5 EEBEHN C[C@@H]1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001618607809 1352351838 /nfs/dbraw/zinc/35/18/38/1352351838.db2.gz CYTXFVUBKJQOGP-MRVPVSSYSA-N 0 3 344.774 2.041 10 5 EEBEHN CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC001565584718 1342558166 /nfs/dbraw/zinc/55/81/66/1342558166.db2.gz HNFVPZZKUYFCIP-HNNXBMFYSA-N 0 3 337.807 2.343 10 5 EEBEHN CC(C)SCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001566783065 1342629861 /nfs/dbraw/zinc/62/98/61/1342629861.db2.gz UYHWAEMCQINUMJ-HDJSIYSDSA-N 0 3 337.445 2.473 10 5 EEBEHN CN(CCCN(C)C(=O)CC1(O)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001673434954 1356690960 /nfs/dbraw/zinc/69/09/60/1356690960.db2.gz ZYQNLTJCYZISIA-UHFFFAOYSA-N 0 3 349.431 2.180 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000921839175 796901775 /nfs/dbraw/zinc/90/17/75/796901775.db2.gz XVKFMHYODWLPHK-ZWNOBZJWSA-N 0 3 340.811 2.183 10 5 EEBEHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)n1 ZINC001450711346 1095109198 /nfs/dbraw/zinc/10/91/98/1095109198.db2.gz WKFIOHJWOFMUJY-INIZCTEOSA-N 0 3 346.362 2.470 10 5 EEBEHN COc1ccc(NC(=O)CNC2([C@H]3CCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001460947982 1110329252 /nfs/dbraw/zinc/32/92/52/1110329252.db2.gz PXDIZSIXPYHHQT-OAHLLOKOSA-N 0 3 349.387 2.233 10 5 EEBEHN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN2CCC[C@@H]2C1 ZINC000181618108 234253792 /nfs/dbraw/zinc/25/37/92/234253792.db2.gz VKCBGUJTCZLDAZ-LLVKDONJSA-N 0 3 341.314 2.116 10 5 EEBEHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCN(CC(F)(F)F)C1)OCO2 ZINC000071792575 215827546 /nfs/dbraw/zinc/82/75/46/215827546.db2.gz IDCQWMZYABMKHN-SNVBAGLBSA-N 0 3 347.293 2.050 10 5 EEBEHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CN2CCC1CC2 ZINC000344426679 161226661 /nfs/dbraw/zinc/22/66/61/161226661.db2.gz ZLZZSOIXMAKVLO-HNNXBMFYSA-N 0 3 337.807 2.343 10 5 EEBEHN COc1cccc(CC[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])n1 ZINC000344946945 161258308 /nfs/dbraw/zinc/25/83/08/161258308.db2.gz ITTFZWVFOUZTQW-UHFFFAOYSA-N 0 3 333.344 2.045 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCN1C ZINC000122699843 222140085 /nfs/dbraw/zinc/14/00/85/222140085.db2.gz DJMHLGQOPBUXAC-ZJUUUORDSA-N 0 3 327.331 2.428 10 5 EEBEHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000080899171 463363539 /nfs/dbraw/zinc/36/35/39/463363539.db2.gz CRNSUTXBCBXFHE-SGTLLEGYSA-N 0 3 349.431 2.361 10 5 EEBEHN CCn1cnnc1[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000161343397 463422815 /nfs/dbraw/zinc/42/28/15/463422815.db2.gz IXKHQLKBIGVSHB-AWEZNQCLSA-N 0 3 345.403 2.465 10 5 EEBEHN Cn1cc(CN2[C@@H]3CC[C@H]2CC(O)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126535568 463645037 /nfs/dbraw/zinc/64/50/37/463645037.db2.gz PLRCCSQWOZXFML-SJPCQFCGSA-N 0 3 342.399 2.483 10 5 EEBEHN C[C@@H]1C[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000172765469 464140349 /nfs/dbraw/zinc/14/03/49/464140349.db2.gz XGMPXDNSKCKGKI-YPMHNXCESA-N 0 3 332.404 2.398 10 5 EEBEHN CC(C)Oc1cc(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000591083819 468405687 /nfs/dbraw/zinc/40/56/87/468405687.db2.gz VJEANMDGGXWXMH-UKRRQHHQSA-N 0 3 333.388 2.158 10 5 EEBEHN C[C@@H]1C[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1C ZINC000272220848 464523547 /nfs/dbraw/zinc/52/35/47/464523547.db2.gz KNJGYRTWIMKSLS-MWLCHTKSSA-N 0 3 349.416 2.154 10 5 EEBEHN CC1CCN(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301116885 465905118 /nfs/dbraw/zinc/90/51/18/465905118.db2.gz YWPWMJMATQHESB-UHFFFAOYSA-N 0 3 334.376 2.070 10 5 EEBEHN COc1cnccc1N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000361530234 466079592 /nfs/dbraw/zinc/07/95/92/466079592.db2.gz YTDHIOUEYPSRAB-UHFFFAOYSA-N 0 3 346.362 2.460 10 5 EEBEHN Cn1cc([N+](=O)[O-])c(C(=O)N2CCCN(CC3CCCCC3)CC2)n1 ZINC000372458500 466396632 /nfs/dbraw/zinc/39/66/32/466396632.db2.gz QVGFNEUUGRWHTA-UHFFFAOYSA-N 0 3 349.435 2.057 10 5 EEBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228277 468501608 /nfs/dbraw/zinc/50/16/08/468501608.db2.gz INWFXBKBQYCXSJ-HNNXBMFYSA-N 0 3 349.435 2.013 10 5 EEBEHN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCN1C1CCCCC1 ZINC000600230084 468501853 /nfs/dbraw/zinc/50/18/53/468501853.db2.gz ZCLSUUIVPSSMOL-INIZCTEOSA-N 0 3 347.415 2.497 10 5 EEBEHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370587119 466932452 /nfs/dbraw/zinc/93/24/52/466932452.db2.gz HCIAFJQOZYGYPE-INIZCTEOSA-N 0 3 340.383 2.336 10 5 EEBEHN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(CN(C)C)c2)n1 ZINC000427708961 467173904 /nfs/dbraw/zinc/17/39/04/467173904.db2.gz DWELESNYXZOHTM-UHFFFAOYSA-N 0 3 331.376 2.434 10 5 EEBEHN O=[N+]([O-])c1ccc(-c2csc(N3CCCN(CCO)CC3)n2)cc1 ZINC000450319223 467825896 /nfs/dbraw/zinc/82/58/96/467825896.db2.gz YHDJYZGMGCJKAU-UHFFFAOYSA-N 0 3 348.428 2.223 10 5 EEBEHN COCCN1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033613 468746836 /nfs/dbraw/zinc/74/68/36/468746836.db2.gz GZRVPXGNAHHAIR-ZFWWWQNUSA-N 0 3 337.420 2.365 10 5 EEBEHN C[C@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CN1C1CC1 ZINC000601127654 468753147 /nfs/dbraw/zinc/75/31/47/468753147.db2.gz MLQAHIHCABZGAU-YUMQZZPRSA-N 0 3 333.314 2.384 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000593022166 468842287 /nfs/dbraw/zinc/84/22/87/468842287.db2.gz CLWDKBKQDBHLAX-NVXWUHKLSA-N 0 3 334.372 2.429 10 5 EEBEHN CC[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)N1 ZINC000598532171 468902817 /nfs/dbraw/zinc/90/28/17/468902817.db2.gz SNBTYWLWALJEMH-WCQYABFASA-N 0 3 330.388 2.218 10 5 EEBEHN O=c1[nH]c(NC[C@H]2CCN2C2CCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000599164073 469143099 /nfs/dbraw/zinc/14/30/99/469143099.db2.gz JCMGLTQVEGVJKW-CYBMUJFWSA-N 0 3 343.387 2.672 10 5 EEBEHN CNC(=O)c1ccc(NC[C@@H]2CCN2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599166568 469146805 /nfs/dbraw/zinc/14/68/05/469146805.db2.gz YAVZHILSFRWGFP-AWEZNQCLSA-N 0 3 332.404 2.383 10 5 EEBEHN CO[C@H](CNc1cc(C)nc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000596319121 469242461 /nfs/dbraw/zinc/24/24/61/469242461.db2.gz UDQXLNHWYLBOPW-YVEFUNNKSA-N 0 3 331.372 2.337 10 5 EEBEHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451586895 536465457 /nfs/dbraw/zinc/46/54/57/536465457.db2.gz AJJSEVULRNEGCZ-NEPJUHHUSA-N 0 3 332.360 2.293 10 5 EEBEHN CC(COC(=O)C1(c2cncc(Br)c2)CC1)[N+](=O)[O-] ZINC000813114172 675766716 /nfs/dbraw/zinc/76/67/16/675766716.db2.gz ZOFHKBHAFBYNLI-QMMMGPOBSA-N 0 3 329.150 2.084 10 5 EEBEHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c([nH]1)CCC2 ZINC001267453980 1179034889 /nfs/dbraw/zinc/03/48/89/1179034889.db2.gz SMUCKVRYVMIPMZ-UHFFFAOYSA-N 0 3 342.399 2.273 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCc1cscn1 ZINC001481322486 1181033112 /nfs/dbraw/zinc/03/31/12/1181033112.db2.gz YQHZRYOMTAJVRB-UHFFFAOYSA-N 0 3 348.428 2.232 10 5 EEBEHN CC(COC(=O)Cn1c2ccccc2nc1-c1cscn1)[N+](=O)[O-] ZINC000813112170 1201123317 /nfs/dbraw/zinc/12/33/17/1201123317.db2.gz CYBCISJDPXTTIT-JTQLQIEISA-N 0 3 346.368 2.368 10 5 EEBEHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000929749432 1206497691 /nfs/dbraw/zinc/49/76/91/1206497691.db2.gz ODRUBDPEYHFZCL-BVGQSLNGSA-N 0 3 348.399 2.242 10 5 EEBEHN O=[N+]([O-])c1ccccc1OCCN[C@H]1c2ccccc2OC[C@H]1CO ZINC000934217567 1207924805 /nfs/dbraw/zinc/92/48/05/1207924805.db2.gz IBTZGUSXGZCCTI-FZKQIMNGSA-N 0 3 344.367 2.305 10 5 EEBEHN CC(COC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)[N+](=O)[O-] ZINC000851036151 1277447750 /nfs/dbraw/zinc/44/77/50/1277447750.db2.gz DPRXNBAMMLAHLU-TZMCWYRMSA-N 0 3 342.351 2.415 10 5 EEBEHN Nc1nnc(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001195719352 1283697703 /nfs/dbraw/zinc/69/77/03/1283697703.db2.gz DMCSIJSLQFNCKC-UHFFFAOYSA-N 0 3 347.375 2.209 10 5 EEBEHN Cc1nc(C)c(C(=O)NC/C=C\CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001273927898 1289914572 /nfs/dbraw/zinc/91/45/72/1289914572.db2.gz JJFHBFJTVNKENF-ARJAWSKDSA-N 0 3 344.371 2.275 10 5 EEBEHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000854515685 1292826984 /nfs/dbraw/zinc/82/69/84/1292826984.db2.gz ZHLXTZXCWIQANZ-UKRRQHHQSA-N 0 3 341.371 2.074 10 5 EEBEHN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000855491272 1293230673 /nfs/dbraw/zinc/23/06/73/1293230673.db2.gz YTNXDJVBSFJPNQ-LBPRGKRZSA-N 0 3 336.348 2.059 10 5 EEBEHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859115594 1294322789 /nfs/dbraw/zinc/32/27/89/1294322789.db2.gz ZZNXAWNQZZLQED-UHFFFAOYSA-N 0 3 331.372 2.056 10 5 EEBEHN CO[C@H]1CN(C)[C@](C)(COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000861347889 1295351052 /nfs/dbraw/zinc/35/10/52/1295351052.db2.gz BAHFUTKTJGIHRI-WBVHZDCISA-N 0 3 336.388 2.180 10 5 EEBEHN CCCN1CCCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247337 1314582498 /nfs/dbraw/zinc/58/24/98/1314582498.db2.gz KCJYYEHMQHCVAP-QGZVFWFLSA-N 0 3 347.415 2.449 10 5 EEBEHN C[C@H]1CC[C@@](CO)(NCCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001656510949 1354243743 /nfs/dbraw/zinc/24/37/43/1354243743.db2.gz KMIQJHCEZCVRBM-GUYCJALGSA-N 0 3 330.388 2.166 10 5 EEBEHN O=C(CCN1CC[C@@H](c2cnccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660351935 1354446543 /nfs/dbraw/zinc/44/65/43/1354446543.db2.gz JANPBDUAXDEWBZ-CYBMUJFWSA-N 0 3 341.371 2.203 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415481778 238973401 /nfs/dbraw/zinc/97/34/01/238973401.db2.gz JBWPDNVJNDUJSO-GFCCVEGCSA-N 0 3 328.319 2.330 10 5 EEBEHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)n1 ZINC000359095889 291825942 /nfs/dbraw/zinc/82/59/42/291825942.db2.gz KOTGWAKHALHMNP-GDBMZVCRSA-N 0 3 347.463 2.069 10 5 EEBEHN CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000255166162 160397085 /nfs/dbraw/zinc/39/70/85/160397085.db2.gz SGCAHHUXTSJHHZ-LHYFVSQWSA-N 0 3 333.432 2.385 10 5 EEBEHN C[C@@H]1CN(C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000193429882 160180960 /nfs/dbraw/zinc/18/09/60/160180960.db2.gz VMJQLIOMMCGGMM-CYBMUJFWSA-N 0 3 337.395 2.419 10 5 EEBEHN CN(C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000301824991 294899301 /nfs/dbraw/zinc/89/93/01/294899301.db2.gz DJRLNGAZWZDPFG-ZDUSSCGKSA-N 0 3 326.360 2.352 10 5 EEBEHN CC(C)(NC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000418746536 313896054 /nfs/dbraw/zinc/89/60/54/313896054.db2.gz IIEKRGRRXMOVID-GFCCVEGCSA-N 0 3 342.346 2.126 10 5 EEBEHN C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1[C@H](C)CC[C@H]1C ZINC000444285887 315288252 /nfs/dbraw/zinc/28/82/52/315288252.db2.gz HPYVHUPFHYUGES-JHJVBQTASA-N 0 3 332.404 2.136 10 5 EEBEHN C[C@H]1CCOCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129981605 462734189 /nfs/dbraw/zinc/73/41/89/462734189.db2.gz PSKZCSIANBQAKD-NSHDSACASA-N 0 3 325.340 2.173 10 5 EEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)CC[NH+](C)C)c1 ZINC000272429105 464603822 /nfs/dbraw/zinc/60/38/22/464603822.db2.gz GFTHHZNXSIJKKF-JTQLQIEISA-N 0 3 349.840 2.175 10 5 EEBEHN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000183093980 464796263 /nfs/dbraw/zinc/79/62/63/464796263.db2.gz GIRHUKWODRSHBB-NOZJJQNGSA-N 0 3 327.768 2.344 10 5 EEBEHN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282432815 464817172 /nfs/dbraw/zinc/81/71/72/464817172.db2.gz RLRWAOQMMMENHL-KCJUWKMLSA-N 0 3 342.193 2.114 10 5 EEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000600006999 468434876 /nfs/dbraw/zinc/43/48/76/468434876.db2.gz JWUKSRKSNJDONX-UHFFFAOYSA-N 0 3 347.415 2.230 10 5 EEBEHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(F)c1 ZINC000594988783 468739011 /nfs/dbraw/zinc/73/90/11/468739011.db2.gz DQAIRHOSDGROQD-IAGOWNOFSA-N 0 3 349.406 2.467 10 5 EEBEHN C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CN1C1CC1 ZINC000601127653 468753498 /nfs/dbraw/zinc/75/34/98/468753498.db2.gz MLQAHIHCABZGAU-SFYZADRCSA-N 0 3 333.314 2.384 10 5 EEBEHN CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536199 468904834 /nfs/dbraw/zinc/90/48/34/468904834.db2.gz OJJRVCOUZUGCAR-DZGCQCFKSA-N 0 3 346.431 2.408 10 5 EEBEHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595568633 468906306 /nfs/dbraw/zinc/90/63/06/468906306.db2.gz RSDIQGVOUKKCRP-OAHLLOKOSA-N 0 3 334.420 2.309 10 5 EEBEHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000595630920 468930803 /nfs/dbraw/zinc/93/08/03/468930803.db2.gz CXAIGNAIXSDRIO-VBNZEHGJSA-N 0 3 338.404 2.259 10 5 EEBEHN CN(CCCN(C)c1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccco1 ZINC000588083419 469113251 /nfs/dbraw/zinc/11/32/51/469113251.db2.gz TZRFAKBZQZVGTR-UHFFFAOYSA-N 0 3 348.403 2.221 10 5 EEBEHN NCc1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000599104280 469119989 /nfs/dbraw/zinc/11/99/89/469119989.db2.gz UXAPJTUPLHAJTH-UHFFFAOYSA-N 0 3 347.396 2.195 10 5 EEBEHN CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000573635982 469175246 /nfs/dbraw/zinc/17/52/46/469175246.db2.gz BIIYVBWKHPXHHI-SMDDNHRTSA-N 0 3 332.360 2.442 10 5 EEBEHN O=[N+]([O-])c1cncc(Cl)c1N1CCC(N2CCCOCC2)CC1 ZINC000596268660 469227689 /nfs/dbraw/zinc/22/76/89/469227689.db2.gz NTXJFUUCVMHPIO-UHFFFAOYSA-N 0 3 340.811 2.334 10 5 EEBEHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599626099 469314445 /nfs/dbraw/zinc/31/44/45/469314445.db2.gz UEKDECKHMNFMBA-RWNPNPFLSA-N 0 3 333.388 2.102 10 5 EEBEHN Cc1nn(CN(C)[C@H]2CCN(C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764988884 577492445 /nfs/dbraw/zinc/49/24/45/577492445.db2.gz FHZOKDORCOUGDY-HNNXBMFYSA-N 0 3 329.404 2.379 10 5 EEBEHN CN(C)Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000762520910 577702677 /nfs/dbraw/zinc/70/26/77/577702677.db2.gz DYRATBUPCPCVOT-UHFFFAOYSA-N 0 3 328.372 2.324 10 5 EEBEHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C2CC2)on1 ZINC001481263057 1180505458 /nfs/dbraw/zinc/50/54/58/1180505458.db2.gz TZWZHDMORDZIKP-UHFFFAOYSA-N 0 3 344.371 2.322 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccn(C)c1 ZINC001268442856 1182619055 /nfs/dbraw/zinc/61/90/55/1182619055.db2.gz FTSLIIRUMOVVES-UHFFFAOYSA-N 0 3 330.388 2.185 10 5 EEBEHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1snnc1C ZINC001482911767 1187837928 /nfs/dbraw/zinc/83/79/28/1187837928.db2.gz PGKXOJNBBROPNK-UHFFFAOYSA-N 0 3 349.416 2.007 10 5 EEBEHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)c1cncs1 ZINC001273048448 1194351693 /nfs/dbraw/zinc/35/16/93/1194351693.db2.gz TUCBIKMQJUAFQT-UHFFFAOYSA-N 0 3 346.412 2.494 10 5 EEBEHN COCCN1CCC[C@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031981 1198031325 /nfs/dbraw/zinc/03/13/25/1198031325.db2.gz OQUJEWCYJJIQLA-STQMWFEESA-N 0 3 325.384 2.495 10 5 EEBEHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC[C@H]2CCCS2)cc1 ZINC000872223098 1198097214 /nfs/dbraw/zinc/09/72/14/1198097214.db2.gz AULJDTZDGHHLOW-CYBMUJFWSA-N 0 3 344.458 2.244 10 5 EEBEHN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2)cc1 ZINC000813115326 1201126343 /nfs/dbraw/zinc/12/63/43/1201126343.db2.gz PCUYIEUTBQVDSV-DZGCQCFKSA-N 0 3 334.372 2.056 10 5 EEBEHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000194748273 1211261787 /nfs/dbraw/zinc/26/17/87/1211261787.db2.gz NIABFSIBURLTRQ-HNNXBMFYSA-N 0 3 346.431 2.409 10 5 EEBEHN O=C1OC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]12 ZINC000862544566 1295873023 /nfs/dbraw/zinc/87/30/23/1295873023.db2.gz BNFYJNUIRHDVLX-IUODEOHRSA-N 0 3 328.324 2.460 10 5 EEBEHN O=C(CCN1C[C@@H]2C[C@H]1CS2)Nc1cc([N+](=O)[O-])ccc1F ZINC000839202187 1315204524 /nfs/dbraw/zinc/20/45/24/1315204524.db2.gz ZTMMNBMJGAUOPV-QWRGUYRKSA-N 0 3 325.365 2.252 10 5 EEBEHN Cc1ncc([N+](=O)[O-])n1CCN[C@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001620670126 1352361612 /nfs/dbraw/zinc/36/16/12/1352361612.db2.gz HUZXAUCCMFMOMQ-ACJLOTCBSA-N 0 3 344.415 2.474 10 5 EEBEHN Cc1nn(C)c(N2CCN[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001652343091 1354088710 /nfs/dbraw/zinc/08/87/10/1354088710.db2.gz YBACKZVLIWEMHT-ZDUSSCGKSA-N 0 3 335.795 2.441 10 5 EEBEHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(CCCCO)CC1 ZINC000845492451 789813457 /nfs/dbraw/zinc/81/34/57/789813457.db2.gz JJTAPKQZIKMUOB-UHFFFAOYSA-N 0 3 330.388 2.038 10 5 EEBEHN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCCN1CCCCC1 ZINC000808561560 812736586 /nfs/dbraw/zinc/73/65/86/812736586.db2.gz KPQCGAGJBWCJMV-UHFFFAOYSA-N 0 3 328.315 2.445 10 5 EEBEHN COCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001480148654 1099717695 /nfs/dbraw/zinc/71/76/95/1099717695.db2.gz HFHGCWLOOBANBA-HDJSIYSDSA-N 0 3 335.404 2.004 10 5 EEBEHN CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC001468225685 1110470611 /nfs/dbraw/zinc/47/06/11/1110470611.db2.gz MYBXZTQPYNVHFZ-UHFFFAOYSA-N 0 3 347.415 2.451 10 5 EEBEHN C[C@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)N(C)C ZINC000037985575 213185371 /nfs/dbraw/zinc/18/53/71/213185371.db2.gz VNRNGYRVPTUOMA-MRVPVSSYSA-N 0 3 330.182 2.037 10 5 EEBEHN C[C@@H]1COC2(CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000075143591 216580920 /nfs/dbraw/zinc/58/09/20/216580920.db2.gz ACALTWDBGVIESM-CYBMUJFWSA-N 0 3 349.387 2.151 10 5 EEBEHN CN(C)C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000153585818 224126828 /nfs/dbraw/zinc/12/68/28/224126828.db2.gz PWTDMKXPZPYJRU-INIZCTEOSA-N 0 3 346.387 2.012 10 5 EEBEHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000450549092 292017343 /nfs/dbraw/zinc/01/73/43/292017343.db2.gz VEBSFSNVASMXIT-LBPRGKRZSA-N 0 3 333.388 2.302 10 5 EEBEHN CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC2)C1 ZINC000342098280 161039209 /nfs/dbraw/zinc/03/92/09/161039209.db2.gz FMDOZVQLOABYTF-NSHDSACASA-N 0 3 339.342 2.111 10 5 EEBEHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000343620089 161151978 /nfs/dbraw/zinc/15/19/78/161151978.db2.gz UKTYYZLFHDWIIH-LBPRGKRZSA-N 0 3 343.383 2.462 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000344777204 161245193 /nfs/dbraw/zinc/24/51/93/161245193.db2.gz PUELRZAQDKLOJX-HNNXBMFYSA-N 0 3 347.415 2.367 10 5 EEBEHN Cc1c(NC(=O)NCCN(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280722848 269386680 /nfs/dbraw/zinc/38/66/80/269386680.db2.gz JTLRYELYFWOWHM-UHFFFAOYSA-N 0 3 345.197 2.349 10 5 EEBEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245461734 276183877 /nfs/dbraw/zinc/18/38/77/276183877.db2.gz FZOCDFCGBBRDTF-KGLIPLIRSA-N 0 3 334.420 2.338 10 5 EEBEHN CC[C@H]1C[C@H](CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453577516 281237222 /nfs/dbraw/zinc/23/72/22/281237222.db2.gz OUEYXJCIWRLCAC-CABCVRRESA-N 0 3 334.420 2.317 10 5 EEBEHN Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)N(C)C)cc1 ZINC000299336181 294718016 /nfs/dbraw/zinc/71/80/16/294718016.db2.gz IZZCFMGXQHZOAW-HNNXBMFYSA-N 0 3 343.387 2.112 10 5 EEBEHN Cc1cc(NCCc2nnc3n2CCC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000436204153 314949005 /nfs/dbraw/zinc/94/90/05/314949005.db2.gz QOZJFYWLGOQWAI-UHFFFAOYSA-N 0 3 338.371 2.066 10 5 EEBEHN O=C(NCCCNCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000336875645 465068958 /nfs/dbraw/zinc/06/89/58/465068958.db2.gz JWYQKUCXPCJHLT-UHFFFAOYSA-N 0 3 329.360 2.291 10 5 EEBEHN CCOc1ccc([C@@H](C)NC[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000154261284 462746838 /nfs/dbraw/zinc/74/68/38/462746838.db2.gz UBZARJJQLDWTAL-DYVFJYSZSA-N 0 3 338.404 2.433 10 5 EEBEHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000105808231 463470157 /nfs/dbraw/zinc/47/01/57/463470157.db2.gz QOOOILKOEAHSNZ-INIZCTEOSA-N 0 3 327.388 2.486 10 5 EEBEHN COc1cc(CN2CCCN(C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000179730458 464178216 /nfs/dbraw/zinc/17/82/16/464178216.db2.gz MLNXIBZCEBAAHR-UHFFFAOYSA-N 0 3 335.404 2.282 10 5 EEBEHN C[C@H]1CCCN(c2ccc(C(=O)NCCN(C)C)cc2[N+](=O)[O-])C1 ZINC000339860751 465556677 /nfs/dbraw/zinc/55/66/77/465556677.db2.gz CPAGAQNHADGPRU-ZDUSSCGKSA-N 0 3 334.420 2.123 10 5 EEBEHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)N1CCC[C@H](C)C1 ZINC000301687771 466010699 /nfs/dbraw/zinc/01/06/99/466010699.db2.gz MIJGNBUWRKIWRW-NWDGAFQWSA-N 0 3 348.403 2.458 10 5 EEBEHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N(C)Cc1ccccc1 ZINC000347286174 466535001 /nfs/dbraw/zinc/53/50/01/466535001.db2.gz HKCZFKNCZISDEY-GFCCVEGCSA-N 0 3 343.387 2.021 10 5 EEBEHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597603257 468613851 /nfs/dbraw/zinc/61/38/51/468613851.db2.gz AVSJQGQKVGWPJC-LLVKDONJSA-N 0 3 341.358 2.358 10 5 EEBEHN CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000598040089 468746652 /nfs/dbraw/zinc/74/66/52/468746652.db2.gz CDTFCCPVTKOAGG-CQSZACIVSA-N 0 3 335.404 2.306 10 5 EEBEHN Cc1cc(S(=O)(=O)[N-][C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601368071 468844006 /nfs/dbraw/zinc/84/40/06/468844006.db2.gz JQXMGNHFUMTSQN-JTQLQIEISA-N 0 3 349.478 2.219 10 5 EEBEHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCc2nccc(N)c2C1 ZINC000598943685 469059547 /nfs/dbraw/zinc/05/95/47/469059547.db2.gz VUQBAMOWCJWOTM-UHFFFAOYSA-N 0 3 342.355 2.230 10 5 EEBEHN CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595635002 485608304 /nfs/dbraw/zinc/60/83/04/485608304.db2.gz SJRSPPUNBDUCOE-NORZTCDRSA-N 0 3 348.403 2.127 10 5 EEBEHN Cc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000730841339 577061865 /nfs/dbraw/zinc/06/18/65/577061865.db2.gz IHKFYFXFOFNXOL-STQMWFEESA-N 0 3 334.420 2.478 10 5 EEBEHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCN1C ZINC000928441854 683165161 /nfs/dbraw/zinc/16/51/61/683165161.db2.gz PNTVBGYAAARGGO-PRHODGIISA-N 0 3 331.294 2.436 10 5 EEBEHN CC(C)N1CCN(c2ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc2)CC1 ZINC000813102133 1201097405 /nfs/dbraw/zinc/09/74/05/1201097405.db2.gz OASDAQVPHTYYGM-AWEZNQCLSA-N 0 3 335.404 2.039 10 5 EEBEHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3C[C@@H]4COC[C@H]4O3)CC2)cc1 ZINC000929749447 1206497518 /nfs/dbraw/zinc/49/75/18/1206497518.db2.gz ODRUBDPEYHFZCL-JEBQAFNWSA-N 0 3 348.399 2.242 10 5 EEBEHN O=[N+]([O-])c1ccc(OC2CCN(CCO[C@@H]3CCOC3)CC2)cc1 ZINC000929748118 1206497615 /nfs/dbraw/zinc/49/76/15/1206497615.db2.gz IMWNCUFIYIBZFR-QGZVFWFLSA-N 0 3 336.388 2.244 10 5 EEBEHN CCOCCC(=O)N1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277385679 1302774366 /nfs/dbraw/zinc/77/43/66/1302774366.db2.gz RUXBQMGTZZKUKF-UHFFFAOYSA-N 0 3 349.431 2.444 10 5 EEBEHN COC(=O)[C@H]1[C@H](CNC(C)(C)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC001332704188 1335886957 /nfs/dbraw/zinc/88/69/57/1335886957.db2.gz DMFAENTYTTXBOQ-NWDGAFQWSA-N 0 3 328.315 2.474 10 5 EEBEHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)cc1C(F)(F)F ZINC001643236911 1352743577 /nfs/dbraw/zinc/74/35/77/1352743577.db2.gz DRJLPHHIXSWEJL-VIFPVBQESA-N 0 3 331.294 2.181 10 5 EEBEHN CCN1C[C@@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001645340124 1352776610 /nfs/dbraw/zinc/77/66/10/1352776610.db2.gz AYIINECWRVCETC-GFCCVEGCSA-N 0 3 349.416 2.060 10 5 EEBEHN C/C(=C\C(=O)Nc1ccnn1CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000818944036 785335734 /nfs/dbraw/zinc/33/57/34/785335734.db2.gz KIHSCETXQXJNRZ-OUKQBFOZSA-N 0 3 343.387 2.395 10 5 EEBEHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC001175212031 798032888 /nfs/dbraw/zinc/03/28/88/798032888.db2.gz ZWSKCIVYQARNCS-NSHDSACASA-N 0 3 329.360 2.266 10 5 EEBEHN Cc1ccc([N+](=O)[O-])c(C)c1CNCC(C)(C)CS(C)(=O)=O ZINC000922735488 801762762 /nfs/dbraw/zinc/76/27/62/801762762.db2.gz QLAFJRSTEKONIA-UHFFFAOYSA-N 0 3 328.434 2.372 10 5 EEBEHN