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-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Cl)c1 ZINC000037975705 202072239 /nfs/dbraw/zinc/07/22/39/202072239.db2.gz YGVNSUQXWYGDRH-UHFFFAOYSA-N -1 3 348.167 3.097 10 5 EGBEHM CCc1onc(C)c1[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359425507 167153067 /nfs/dbraw/zinc/15/30/67/167153067.db2.gz UBBSQTUBTPHETN-UHFFFAOYSA-N -1 3 341.270 3.307 10 5 EGBEHM COc1ccc([N-]C(=O)c2snnc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000489733737 311117608 /nfs/dbraw/zinc/11/76/08/311117608.db2.gz HUJMOYGYPDRBCP-UHFFFAOYSA-N -1 3 336.373 3.005 10 5 EGBEHM CCc1c([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)onc1C(F)(F)F ZINC000573217461 317454194 /nfs/dbraw/zinc/45/41/94/317454194.db2.gz GRZKPTDJIGNFBH-UHFFFAOYSA-N -1 3 344.249 3.120 10 5 EGBEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000088795810 454121289 /nfs/dbraw/zinc/12/12/89/454121289.db2.gz LYWQPHWZRPJDOM-LLVKDONJSA-N -1 3 338.360 3.082 10 5 EGBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000095443651 454214099 /nfs/dbraw/zinc/21/40/99/454214099.db2.gz JRNZOXIYXVZMPJ-UHFFFAOYSA-N -1 3 341.245 3.275 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CCCCCC3)n1 ZINC000191571150 455499272 /nfs/dbraw/zinc/49/92/72/455499272.db2.gz AXUKPKXIZGBMEC-UHFFFAOYSA-N -1 3 349.416 3.179 10 5 EGBEHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1c(F)cccc1Cl ZINC000319438339 456622737 /nfs/dbraw/zinc/62/27/37/456622737.db2.gz LCMCAJYBKCBBTE-UHFFFAOYSA-N -1 3 348.714 3.327 10 5 EGBEHM CO[C@H](C)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000339144826 456962092 /nfs/dbraw/zinc/96/20/92/456962092.db2.gz SGPYLUKCAZGWTD-SNVBAGLBSA-N -1 3 340.339 3.431 10 5 EGBEHM CC(=C([O-])Nc1cc(C)nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000360781382 457349536 /nfs/dbraw/zinc/34/95/36/457349536.db2.gz MQYOLSCWYJUSOE-MRVPVSSYSA-N -1 3 327.262 3.010 10 5 EGBEHM C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C(=O)[O-] ZINC000567866479 459180979 /nfs/dbraw/zinc/18/09/79/459180979.db2.gz XKPFRYAGJBMEDH-WFASDCNBSA-N -1 3 344.367 3.397 10 5 EGBEHM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596236625 459570254 /nfs/dbraw/zinc/57/02/54/459570254.db2.gz ZOFLDFDOFXHSKM-UONOGXRCSA-N -1 3 329.356 3.353 10 5 EGBEHM CCCOc1cncc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000598995045 460122199 /nfs/dbraw/zinc/12/21/99/460122199.db2.gz MZRBMGTVYJCGCE-UHFFFAOYSA-N -1 3 333.344 3.105 10 5 EGBEHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1 ZINC000185980210 534319963 /nfs/dbraw/zinc/31/99/63/534319963.db2.gz UHIMISUOIGYCRN-UHFFFAOYSA-N -1 3 329.360 3.252 10 5 EGBEHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001137781005 1377616018 /nfs/dbraw/zinc/61/60/18/1377616018.db2.gz CSOVCEYJEKYIHM-UHFFFAOYSA-N -1 3 344.367 3.362 10 5 EGBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000344661086 144206991 /nfs/dbraw/zinc/20/69/91/144206991.db2.gz KYAPFJHFWBMZSY-UHFFFAOYSA-N -1 3 348.668 3.253 10 5 EGBEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000119384447 152202529 /nfs/dbraw/zinc/20/25/29/152202529.db2.gz KYAIGUXFPMEVAK-LBPRGKRZSA-N -1 3 338.385 3.153 10 5 EGBEHM Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c([O-])c1 ZINC000358903954 167000671 /nfs/dbraw/zinc/00/06/71/167000671.db2.gz PMLZVJJZGZERGM-UHFFFAOYSA-N -1 3 338.266 3.463 10 5 EGBEHM Cc1nn(C)c(C)c1[N-]c1ncc([N+](=O)[O-])c(C)c1Br ZINC000347428700 279194056 /nfs/dbraw/zinc/19/40/56/279194056.db2.gz MIYPXDKVGNSODN-UHFFFAOYSA-N -1 3 340.181 3.155 10 5 EGBEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512766393 312194593 /nfs/dbraw/zinc/19/45/93/312194593.db2.gz FIMADEAAEPKZST-CQSZACIVSA-N -1 3 340.426 3.332 10 5 EGBEHM COc1cc(CN2CCC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1[O-] ZINC000092788901 454633452 /nfs/dbraw/zinc/63/34/52/454633452.db2.gz YNRSMYCHAKIHLB-NSHDSACASA-N -1 3 349.412 3.145 10 5 EGBEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000126264272 454881686 /nfs/dbraw/zinc/88/16/86/454881686.db2.gz PSVSXDSNNVQVQL-LBPRGKRZSA-N -1 3 338.385 3.153 10 5 EGBEHM CCc1ccc([N+](=O)[O-])cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000357267660 457410738 /nfs/dbraw/zinc/41/07/38/457410738.db2.gz KOGIJZHZGFFRMD-UHFFFAOYSA-N -1 3 342.277 3.284 10 5 EGBEHM CC[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(=O)[O-] ZINC000426673503 457875578 /nfs/dbraw/zinc/87/55/78/457875578.db2.gz FZTZDZILTCERTC-LLVKDONJSA-N -1 3 349.412 3.309 10 5 EGBEHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000436728243 458370086 /nfs/dbraw/zinc/37/00/86/458370086.db2.gz JGWPQEVIJUHEAE-OAHLLOKOSA-N -1 3 330.340 3.190 10 5 EGBEHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000594733643 459144067 /nfs/dbraw/zinc/14/40/67/459144067.db2.gz AQCZHSFKBKYJCG-PBHICJAKSA-N -1 3 348.399 3.074 10 5 EGBEHM CC[C@](C)([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594862834 459163234 /nfs/dbraw/zinc/16/32/34/459163234.db2.gz QVQVAXWJWJIRBY-INIZCTEOSA-N -1 3 349.412 3.000 10 5 EGBEHM CC(C)(C)CCS(=O)(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596022921 459496844 /nfs/dbraw/zinc/49/68/44/459496844.db2.gz ZGCICCGXNGLZPA-UHFFFAOYSA-N -1 3 335.813 3.008 10 5 EGBEHM Cc1ccc(C(=O)C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596084161 459513545 /nfs/dbraw/zinc/51/35/45/459513545.db2.gz VSEWTHRWAAGOKR-UHFFFAOYSA-N -1 3 341.367 3.103 10 5 EGBEHM O=c1[n-]ccc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000596222521 459566183 /nfs/dbraw/zinc/56/61/83/459566183.db2.gz UYVWGJAKDXJNHJ-SNVBAGLBSA-N -1 3 331.294 3.254 10 5 EGBEHM CCSCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739549 459969565 /nfs/dbraw/zinc/96/95/65/459969565.db2.gz AOFUUOZYDSCVTC-LLVKDONJSA-N -1 3 326.418 3.257 10 5 EGBEHM COc1ccc([N-]C(=O)c2noc3c2CC(C)(C)CC3)c([N+](=O)[O-])c1 ZINC001124404260 1372698997 /nfs/dbraw/zinc/69/89/97/1372698997.db2.gz ZRYVFVMLZMIGKR-UHFFFAOYSA-N -1 3 345.355 3.359 10 5 EGBEHM O=c1[n-]ccc(NCc2c(Cl)cccc2-n2ccnc2)c1[N+](=O)[O-] ZINC001163373959 1383035680 /nfs/dbraw/zinc/03/56/80/1383035680.db2.gz ZGMXUJBQCJSURI-UHFFFAOYSA-N -1 3 345.746 3.147 10 5 EGBEHM Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2ccc(F)cc2c1[O-] ZINC000032606272 202228891 /nfs/dbraw/zinc/22/88/91/202228891.db2.gz CQCVJWDIGFAUBP-UHFFFAOYSA-N -1 3 341.298 3.136 10 5 EGBEHM COc1ccc([N-]C(=O)c2oc(CC3CC3)nc2C)c([N+](=O)[O-])c1 ZINC000355480543 166215838 /nfs/dbraw/zinc/21/58/38/166215838.db2.gz XZVOECYDBAMBMV-UHFFFAOYSA-N -1 3 331.328 3.105 10 5 EGBEHM CC[C@H](CC(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000411757847 308951797 /nfs/dbraw/zinc/95/17/97/308951797.db2.gz MWNGBDLCYGUCFR-SECBINFHSA-N -1 3 338.314 3.027 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)c(F)ccc2Cl)n1 ZINC000448517752 310005142 /nfs/dbraw/zinc/00/51/42/310005142.db2.gz VDTVAKBANSOWKQ-UHFFFAOYSA-N -1 3 326.715 3.164 10 5 EGBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C/C=C/c2ccccc2)c1[N+](=O)[O-] ZINC000480727662 310899846 /nfs/dbraw/zinc/89/98/46/310899846.db2.gz DICSWEVNACQQLT-RMKNXTFCSA-N -1 3 346.408 3.203 10 5 EGBEHM Nc1nc2nc(-c3c4ccccc4cc4ccccc43)nc-2c(O)[n-]1 ZINC000137040273 454766738 /nfs/dbraw/zinc/76/67/38/454766738.db2.gz LAEBNTWVBOBUGV-UHFFFAOYSA-N -1 3 327.347 3.202 10 5 EGBEHM O=C([N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000217843520 456033771 /nfs/dbraw/zinc/03/37/71/456033771.db2.gz SFGCSFANEXYOJE-UHFFFAOYSA-N -1 3 347.127 3.023 10 5 EGBEHM CC(=C([O-])Nc1cc(C)nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000360781383 457349482 /nfs/dbraw/zinc/34/94/82/457349482.db2.gz MQYOLSCWYJUSOE-QMMMGPOBSA-N -1 3 327.262 3.010 10 5 EGBEHM Cc1cccc([C@H](NCc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1C ZINC000426721680 457884807 /nfs/dbraw/zinc/88/48/07/457884807.db2.gz CYCCWHIMAOFEBM-KRWDZBQOSA-N -1 3 328.368 3.436 10 5 EGBEHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590178791 459098348 /nfs/dbraw/zinc/09/83/48/459098348.db2.gz BBSJFNOQIWHXLO-HQJJXPTPSA-N -1 3 348.443 3.452 10 5 EGBEHM Cc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1[O-] ZINC000568942073 459368552 /nfs/dbraw/zinc/36/85/52/459368552.db2.gz IZPALOPCBQNSTQ-UHFFFAOYSA-N -1 3 339.351 3.063 10 5 EGBEHM COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1[N+](=O)[O-] ZINC001152078412 1379859405 /nfs/dbraw/zinc/85/94/05/1379859405.db2.gz BYKRDQUYRZMOIO-UHFFFAOYSA-N -1 3 342.351 3.440 10 5 EGBEHM CC(=O)c1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1[O-] ZINC001179397944 1386474531 /nfs/dbraw/zinc/47/45/31/1386474531.db2.gz APUQTVSOQPBRDR-LLVKDONJSA-N -1 3 342.351 3.037 10 5 EGBEHM Cc1ccc([O-])c(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000487174035 311013692 /nfs/dbraw/zinc/01/36/92/311013692.db2.gz WUDIFSQPEDGMRJ-UHFFFAOYSA-N -1 3 341.289 3.312 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cc3cccnc32)n1 ZINC000517813594 312394282 /nfs/dbraw/zinc/39/42/82/312394282.db2.gz CPQLDHHWCMVPQJ-UHFFFAOYSA-N -1 3 345.746 3.265 10 5 EGBEHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc([O-])c2ccccc2c1 ZINC000525918459 312768353 /nfs/dbraw/zinc/76/83/53/312768353.db2.gz ZGDHTEXEEAPACH-UHFFFAOYSA-N -1 3 336.347 3.426 10 5 EGBEHM COc1ccc([O-])c(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000154224445 454876427 /nfs/dbraw/zinc/87/64/27/454876427.db2.gz JTUVLSSARAYOML-UHFFFAOYSA-N -1 3 327.296 3.043 10 5 EGBEHM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(CN2CCCC2)cc1 ZINC000277132143 456692232 /nfs/dbraw/zinc/69/22/32/456692232.db2.gz ULDZHMKXYQPNGR-UHFFFAOYSA-N -1 3 341.367 3.149 10 5 EGBEHM Cc1cc([N+](=O)[O-])ccc1C=Cc1cc(=O)[n-]c(-c2ccncc2)n1 ZINC000352019332 457332929 /nfs/dbraw/zinc/33/29/29/457332929.db2.gz AAUVYVGTJMAYBN-DUXPYHPUSA-N -1 3 334.335 3.219 10 5 EGBEHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000361337754 457698385 /nfs/dbraw/zinc/69/83/85/457698385.db2.gz XSLVXTVEHWPJPL-UHFFFAOYSA-N -1 3 330.218 3.468 10 5 EGBEHM CC(C)(C)OC(=O)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596139607 459534892 /nfs/dbraw/zinc/53/48/92/459534892.db2.gz MORQMCBEJKNHAA-UHFFFAOYSA-N -1 3 345.355 3.263 10 5 EGBEHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000545350202 459826818 /nfs/dbraw/zinc/82/68/18/459826818.db2.gz MBGLKGSEBYKKCV-HDJSIYSDSA-N -1 3 346.408 3.128 10 5 EGBEHM C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C(=O)[O-] ZINC000576822954 460220786 /nfs/dbraw/zinc/22/07/86/460220786.db2.gz KOPBSJIZGRLZOO-LRDDRELGSA-N -1 3 344.367 3.397 10 5 EGBEHM COc1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1[O-] ZINC000154661463 518164129 /nfs/dbraw/zinc/16/41/29/518164129.db2.gz SCKRQAPEVGOCJG-UHFFFAOYSA-N -1 3 342.351 3.114 10 5 EGBEHM COc1cccc(C(=O)[N-]c2ccnc(Cl)c2F)c1[N+](=O)[O-] ZINC001129747277 1373419688 /nfs/dbraw/zinc/41/96/88/1373419688.db2.gz YEZPCVMHVLCOLS-UHFFFAOYSA-N -1 3 325.683 3.043 10 5 EGBEHM COc1nscc1[N-]C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001153902748 1380153065 /nfs/dbraw/zinc/15/30/65/1380153065.db2.gz LJONWTJYGLTLLK-UHFFFAOYSA-N -1 3 331.712 3.105 10 5 EGBEHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037984366 202077824 /nfs/dbraw/zinc/07/78/24/202077824.db2.gz MWCUZZHERRIERJ-SNVBAGLBSA-N -1 3 334.825 3.495 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccs3)cs2)n1 ZINC000191456854 265905092 /nfs/dbraw/zinc/90/50/92/265905092.db2.gz FMKOYCARGBNULM-UHFFFAOYSA-N -1 3 349.397 3.249 10 5 EGBEHM O=[N+]([O-])c1c(Sc2n[n-]c(-c3ccccc3)n2)nc2sccn21 ZINC000042677837 454020462 /nfs/dbraw/zinc/02/04/62/454020462.db2.gz KIZQIIXMPYZWHV-UHFFFAOYSA-N -1 3 344.381 3.240 10 5 EGBEHM Cc1cc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000063764558 454446545 /nfs/dbraw/zinc/44/65/45/454446545.db2.gz MOEMAZQNJDZTPQ-UHFFFAOYSA-N -1 3 340.426 3.060 10 5 EGBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000268968651 455749152 /nfs/dbraw/zinc/74/91/52/455749152.db2.gz LFCQJZNMNOZAEH-UHFFFAOYSA-N -1 3 346.290 3.112 10 5 EGBEHM CC(C)(C)c1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c([O-])c1 ZINC000337670813 456472617 /nfs/dbraw/zinc/47/26/17/456472617.db2.gz XGVRQPMMPKWPJZ-UHFFFAOYSA-N -1 3 346.387 3.168 10 5 EGBEHM O=C([N-]c1cc(F)cc(F)c1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000348125212 456501389 /nfs/dbraw/zinc/50/13/89/456501389.db2.gz XXQHDSVLYYLLGF-UHFFFAOYSA-N -1 3 336.229 3.141 10 5 EGBEHM O=C(NCc1ncccc1[O-])c1cc2ccccc2c2cccnc12 ZINC000352511827 457429509 /nfs/dbraw/zinc/42/95/09/457429509.db2.gz ZXQXDKUOUUKXEF-UHFFFAOYSA-N -1 3 329.359 3.419 10 5 EGBEHM CCOc1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc2c1 ZINC000532143732 459037152 /nfs/dbraw/zinc/03/71/52/459037152.db2.gz BHTCGFBTPUILTN-UHFFFAOYSA-N -1 3 344.352 3.251 10 5 EGBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000590178806 459098565 /nfs/dbraw/zinc/09/85/65/459098565.db2.gz CMACBPMRMLQYBW-CGTJXYLNSA-N -1 3 334.416 3.206 10 5 EGBEHM CC(C)([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CCC1 ZINC000594779302 459154217 /nfs/dbraw/zinc/15/42/17/459154217.db2.gz NONUCKGPTSGGDI-UHFFFAOYSA-N -1 3 349.412 3.000 10 5 EGBEHM O=c1[n-]ccc(NCCOc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC001185290606 1387671877 /nfs/dbraw/zinc/67/18/77/1387671877.db2.gz KLFCAVHMLJBSAQ-UHFFFAOYSA-N -1 3 343.261 3.205 10 5 EGBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001141302214 1378297009 /nfs/dbraw/zinc/29/70/09/1378297009.db2.gz UIFTXYCMVJIVBM-UHFFFAOYSA-N -1 3 326.312 3.046 10 5 EGBEHM Cc1cc([N+](=O)[O-])c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1Cl ZINC001298307376 1383390372 /nfs/dbraw/zinc/39/03/72/1383390372.db2.gz ZZTSVLXDTDXYRW-UHFFFAOYSA-N -1 3 346.730 3.391 10 5 EGBEHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000028048466 264601276 /nfs/dbraw/zinc/60/12/76/264601276.db2.gz JGOTXLOVHKHAGL-LBPRGKRZSA-N -1 3 344.433 3.098 10 5 EGBEHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000175457134 265115711 /nfs/dbraw/zinc/11/57/11/265115711.db2.gz GWMDXJBFAGJAEB-AWEZNQCLSA-N -1 3 330.340 3.190 10 5 EGBEHM Cc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)s1 ZINC000179238518 265369509 /nfs/dbraw/zinc/36/95/09/265369509.db2.gz VEMCSJIKLHWHDU-UHFFFAOYSA-N -1 3 349.368 3.082 10 5 EGBEHM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488793303 311080312 /nfs/dbraw/zinc/08/03/12/311080312.db2.gz IMFNXBTZEONARP-QWHCGFSZSA-N -1 3 326.418 3.088 10 5 EGBEHM CCc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130904924 454224551 /nfs/dbraw/zinc/22/45/51/454224551.db2.gz YRFFZRLVJDIZQB-UHFFFAOYSA-N -1 3 326.312 3.254 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)(C)C)c2[O-])n1 ZINC000191895842 455529349 /nfs/dbraw/zinc/52/93/49/455529349.db2.gz CDDVWBWNHYIYIJ-UHFFFAOYSA-N -1 3 332.360 3.067 10 5 EGBEHM Cc1cc([N+](=O)[O-])ccc1C=Cc1cc(=O)[n-]c(-c2ccncc2)n1 ZINC000352019333 457332232 /nfs/dbraw/zinc/33/22/32/457332232.db2.gz AAUVYVGTJMAYBN-RQOWECAXSA-N -1 3 334.335 3.219 10 5 EGBEHM CC(C)N(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436783732 458379300 /nfs/dbraw/zinc/37/93/00/458379300.db2.gz NDFSMSVUWIPJDV-UHFFFAOYSA-N -1 3 349.431 3.027 10 5 EGBEHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000594733909 459143641 /nfs/dbraw/zinc/14/36/41/459143641.db2.gz KBVFNOJRIBOIAA-ILXRZTDVSA-N -1 3 348.399 3.069 10 5 EGBEHM C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C(=O)[O-] ZINC000567866477 459181379 /nfs/dbraw/zinc/18/13/79/459181379.db2.gz XKPFRYAGJBMEDH-IUODEOHRSA-N -1 3 344.367 3.397 10 5 EGBEHM CC(C)(C)OC(=O)C(C)(C)n1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000596445705 459639167 /nfs/dbraw/zinc/63/91/67/459639167.db2.gz CUHGMQAZTDSDFS-UHFFFAOYSA-N -1 3 347.375 3.007 10 5 EGBEHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000610006497 460051177 /nfs/dbraw/zinc/05/11/77/460051177.db2.gz GZVFRFRPTNDZQQ-CQSZACIVSA-N -1 3 348.424 3.294 10 5 EGBEHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccnc(F)c2F)c1 ZINC001131429248 1373696465 /nfs/dbraw/zinc/69/64/65/1373696465.db2.gz WYMZWEZEPFPSCW-UHFFFAOYSA-N -1 3 325.296 3.242 10 5 EGBEHM CC[C@@H]1CCCc2sc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc21 ZINC001158172904 1381148527 /nfs/dbraw/zinc/14/85/27/1381148527.db2.gz LLTYWUXSWOURPE-MRVPVSSYSA-N -1 3 348.384 3.234 10 5 EGBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncc(Cl)s1 ZINC001298826004 1383434785 /nfs/dbraw/zinc/43/47/85/1383434785.db2.gz ZBJSAJXPKDVOSN-UHFFFAOYSA-N -1 3 327.749 3.356 10 5 EGBEHM Cc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000303745458 308755015 /nfs/dbraw/zinc/75/50/15/308755015.db2.gz AITFBKFFUSHZCU-UHFFFAOYSA-N -1 3 328.368 3.362 10 5 EGBEHM Cc1c([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cnn1C1CCOCC1 ZINC000450562709 310130250 /nfs/dbraw/zinc/13/02/50/310130250.db2.gz KQFLAMUIYXTOQM-UHFFFAOYSA-N -1 3 331.376 3.207 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(-c3ccco3)cc2F)n1 ZINC000489364308 311102026 /nfs/dbraw/zinc/10/20/26/311102026.db2.gz MISNRSVAWSYPKR-UHFFFAOYSA-N -1 3 344.302 3.463 10 5 EGBEHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(CN2CCCC2)c1 ZINC000089531356 454160397 /nfs/dbraw/zinc/16/03/97/454160397.db2.gz NLEMJPAPCDRPEM-UHFFFAOYSA-N -1 3 341.367 3.149 10 5 EGBEHM CCCn1c(=O)[n-]nc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000115964084 455036394 /nfs/dbraw/zinc/03/63/94/455036394.db2.gz KDNWIWRPWBOOBP-UHFFFAOYSA-N -1 3 328.781 3.248 10 5 EGBEHM CCN(CC)Cc1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000280748808 456044886 /nfs/dbraw/zinc/04/48/86/456044886.db2.gz KGZJIVVRWIZVQB-UHFFFAOYSA-N -1 3 343.383 3.395 10 5 EGBEHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000225708196 456105114 /nfs/dbraw/zinc/10/51/14/456105114.db2.gz UIELHQBDVFYGID-UHFFFAOYSA-N -1 3 342.323 3.291 10 5 EGBEHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000340973775 456791881 /nfs/dbraw/zinc/79/18/81/456791881.db2.gz MZRKGTNJMGLGIM-UHFFFAOYSA-N -1 3 347.274 3.331 10 5 EGBEHM O=C([N-]c1csc(-c2ccccn2)n1)c1csc([N+](=O)[O-])c1 ZINC000342648707 457427181 /nfs/dbraw/zinc/42/71/81/457427181.db2.gz IPJLQCXPWJJXBA-UHFFFAOYSA-N -1 3 332.366 3.427 10 5 EGBEHM O=C([N-]c1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])s1 ZINC000342660881 457436626 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3.053 10 5 EGBEHM O=C(Nc1cc(C(F)F)ccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001144940566 1378782258 /nfs/dbraw/zinc/78/22/58/1378782258.db2.gz YICLKMDPHUONHF-UHFFFAOYSA-N -1 3 327.218 3.024 10 5 EGBEHM O=C(Nc1ccc(O)cc1[O-])c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001153765584 1380125522 /nfs/dbraw/zinc/12/55/22/1380125522.db2.gz MPYWLLVVBWTZJV-UHFFFAOYSA-N -1 3 342.229 3.277 10 5 EGBEHM O=c1[n-]ccc(NCc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC001164310327 1383176509 /nfs/dbraw/zinc/17/65/09/1383176509.db2.gz KJTNPBSWTKGRBG-UHFFFAOYSA-N -1 3 342.124 3.209 10 5 EGBEHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037975663 202071614 /nfs/dbraw/zinc/07/16/14/202071614.db2.gz OORIZLHUMGGDNM-SNVBAGLBSA-N -1 3 334.825 3.351 10 5 EGBEHM COc1cc(CN[C@@H]2CCOc3c(C)cccc32)c([N+](=O)[O-])cc1[O-] ZINC000188882100 153038430 /nfs/dbraw/zinc/03/84/30/153038430.db2.gz KHGVLTFAAQVJFB-CQSZACIVSA-N -1 3 344.367 3.231 10 5 EGBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(OC)ccc1F ZINC000343763099 164029120 /nfs/dbraw/zinc/02/91/20/164029120.db2.gz JSGVJXHXCGTOOF-UHFFFAOYSA-N -1 3 334.303 3.394 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])n1 ZINC000191865369 265937904 /nfs/dbraw/zinc/93/79/04/265937904.db2.gz IFMLDPAQSXWRJD-UHFFFAOYSA-N -1 3 332.360 3.067 10 5 EGBEHM COC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c[n-]1 ZINC000353422914 456691249 /nfs/dbraw/zinc/69/12/49/456691249.db2.gz PZBQDSZELZDRHO-UHFFFAOYSA-N -1 3 345.355 3.259 10 5 EGBEHM Cn1ncc([N-]c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1C(F)F ZINC000611182499 460303484 /nfs/dbraw/zinc/30/34/84/460303484.db2.gz HSKUDZDGSNZNLR-UHFFFAOYSA-N -1 3 345.309 3.493 10 5 EGBEHM O=C(Nc1cnccc1-c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001154205889 1380227886 /nfs/dbraw/zinc/22/78/86/1380227886.db2.gz QKGZOPMGXDPQFO-UHFFFAOYSA-N -1 3 336.307 3.010 10 5 EGBEHM Cc1ccc(Nc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c(C)c1 ZINC000040621241 213360336 /nfs/dbraw/zinc/36/03/36/213360336.db2.gz GCSYFUXHMSVMLF-UHFFFAOYSA-N -1 3 330.392 3.460 10 5 EGBEHM Cc1cc(NC[C@H]2N(C)CCCC2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516929801 312351608 /nfs/dbraw/zinc/35/16/08/312351608.db2.gz QEVFEWVGKZJTLA-CQSZACIVSA-N -1 3 335.404 3.134 10 5 EGBEHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000339046462 456914669 /nfs/dbraw/zinc/91/46/69/456914669.db2.gz AARXRVSRYMSKGN-KRWDZBQOSA-N -1 3 341.411 3.007 10 5 EGBEHM CCCc1[nH]nc(C(=O)[N-]c2nc(-c3ccccc3)co2)c1[N+](=O)[O-] ZINC000339403272 457096370 /nfs/dbraw/zinc/09/63/70/457096370.db2.gz DCIXLPZVZUXUHR-UHFFFAOYSA-N -1 3 341.327 3.178 10 5 EGBEHM O=c1[n-]ccc(NCC[C@@H]2CSc3ccccc3O2)c1[N+](=O)[O-] ZINC000596287409 459584954 /nfs/dbraw/zinc/58/49/54/459584954.db2.gz RVECGHXUCPXQQB-SNVBAGLBSA-N -1 3 333.369 3.051 10 5 EGBEHM O=C([O-])c1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000584303381 459706252 /nfs/dbraw/zinc/70/62/52/459706252.db2.gz YRIBBYQQMFAHQD-HNNXBMFYSA-N -1 3 341.367 3.068 10 5 EGBEHM CC(C)(C)c1ccc(NC(=O)Cc2cncc([O-])c2)cc1[N+](=O)[O-] ZINC000597632901 460012740 /nfs/dbraw/zinc/01/27/40/460012740.db2.gz VDTKJHXOTVZVPQ-UHFFFAOYSA-N -1 3 329.356 3.174 10 5 EGBEHM O=c1[n-]ccc(NCc2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC001185332053 1387685256 /nfs/dbraw/zinc/68/52/56/1387685256.db2.gz UTYKZVKGQVGMJP-UHFFFAOYSA-N -1 3 342.124 3.209 10 5 EGBEHM O=c1[n-]ccc(NCc2ccc(F)cc2C(F)(F)F)c1[N+](=O)[O-] ZINC001306929912 1383922236 /nfs/dbraw/zinc/92/22/36/1383922236.db2.gz GLANZBPIROCJLH-UHFFFAOYSA-N -1 3 331.225 3.465 10 5 EGBEHM O=[N+]([O-])c1c([N-]c2cccnc2)ncnc1N1CCc2ccccc21 ZINC000040586127 213354698 /nfs/dbraw/zinc/35/46/98/213354698.db2.gz DFMCYMRGXOAEMY-UHFFFAOYSA-N -1 3 334.339 3.218 10 5 EGBEHM CC(C)(CCc1noc(-c2ccc3c(c2[O-])CCCC3)n1)[N+](=O)[O-] ZINC000291096655 276588425 /nfs/dbraw/zinc/58/84/25/276588425.db2.gz QLWYCNBRDOJUTP-UHFFFAOYSA-N -1 3 331.372 3.309 10 5 EGBEHM CC[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000436640578 309765874 /nfs/dbraw/zinc/76/58/74/309765874.db2.gz XRSPKNFXNBYOKG-AWEZNQCLSA-N -1 3 330.340 3.190 10 5 EGBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C)cc1 ZINC000064243154 454469275 /nfs/dbraw/zinc/46/92/75/454469275.db2.gz PXHLXTCMFKOYMR-LBPRGKRZSA-N -1 3 340.426 3.394 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2scnc2-c2ccccc2)n1 ZINC000191584768 455500845 /nfs/dbraw/zinc/50/08/45/455500845.db2.gz APTQCVWLPGHFJZ-UHFFFAOYSA-N -1 3 343.368 3.187 10 5 EGBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000590178813 459098378 /nfs/dbraw/zinc/09/83/78/459098378.db2.gz CMACBPMRMLQYBW-KBAYOESNSA-N -1 3 334.416 3.206 10 5 EGBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)C1CCC(F)CC1 ZINC000595359495 459284577 /nfs/dbraw/zinc/28/45/77/459284577.db2.gz OOMAPVRDHUWTMU-HIFPTAJRSA-N -1 3 344.408 3.098 10 5 EGBEHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]C2(C(F)F)CCCC2)s1 ZINC000588861489 459993995 /nfs/dbraw/zinc/99/39/95/459993995.db2.gz RXDPNRCYWDSPJH-UHFFFAOYSA-N -1 3 340.373 3.050 10 5 EGBEHM CC1(C)CCc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2O1 ZINC000863046369 1329525895 /nfs/dbraw/zinc/52/58/95/1329525895.db2.gz DSOVBCFHFSPHRZ-UHFFFAOYSA-N -1 3 343.339 3.051 10 5 EGBEHM O=c1[n-]ccc(NC[C@H](O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC001185395105 1387704302 /nfs/dbraw/zinc/70/43/02/1387704302.db2.gz ZSNOIZGYJRNFJM-NSHDSACASA-N -1 3 344.154 3.148 10 5 EGBEHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc(Br)co1 ZINC001125406864 1372783139 /nfs/dbraw/zinc/78/31/39/1372783139.db2.gz JPRGQBUCBPVPDQ-UHFFFAOYSA-N -1 3 329.081 3.342 10 5 EGBEHM O=C(Nc1ccc([O-])cc1[N+](=O)[O-])c1csc(Br)c1 ZINC000037844210 213169923 /nfs/dbraw/zinc/16/99/23/213169923.db2.gz WYCQYFGPRMKJHG-UHFFFAOYSA-N -1 3 343.158 3.377 10 5 EGBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000462498798 310600837 /nfs/dbraw/zinc/60/08/37/310600837.db2.gz GJEQJPJRAUSDQT-ZIAGYGMSSA-N -1 3 338.429 3.150 10 5 EGBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000077393502 454101882 /nfs/dbraw/zinc/10/18/82/454101882.db2.gz BSTABDBMBDLOMA-UHFFFAOYSA-N -1 3 346.408 3.128 10 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1368867118 /nfs/dbraw/zinc/86/71/18/1368867118.db2.gz QKIZCZUVVSLZBS-NSHDSACASA-N -1 3 340.339 3.201 10 5 EGBEHM CC(C)c1cc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)no1 ZINC001289935648 1382027763 /nfs/dbraw/zinc/02/77/63/1382027763.db2.gz MHAWEYBRDKSJJE-UHFFFAOYSA-N -1 3 347.327 3.120 10 5 EGBEHM O=c1[n-]ccc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC001162494765 1382772835 /nfs/dbraw/zinc/77/28/35/1382772835.db2.gz VGHOMVOAGQGRGB-NSHDSACASA-N -1 3 344.154 3.148 10 5 EGBEHM CC(C)Oc1ncnc([N-]c2cccc3ncccc23)c1[N+](=O)[O-] ZINC000040659652 213365478 /nfs/dbraw/zinc/36/54/78/213365478.db2.gz IGPGPUMZRUASRU-UHFFFAOYSA-N -1 3 325.328 3.464 10 5 EGBEHM COc1ccc([N-]C(=O)c2oc(CC(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000188355424 153012923 /nfs/dbraw/zinc/01/29/23/153012923.db2.gz JIQLYUIYDNKLCY-UHFFFAOYSA-N -1 3 333.344 3.351 10 5 EGBEHM COc1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000419585554 309270007 /nfs/dbraw/zinc/27/00/07/309270007.db2.gz KQLULJGELCSUSU-UHFFFAOYSA-N -1 3 347.396 3.410 10 5 EGBEHM CCc1ccc2nc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])sc2c1 ZINC000064354416 454474740 /nfs/dbraw/zinc/47/47/40/454474740.db2.gz LRGSPYOIJHHILN-UHFFFAOYSA-N -1 3 331.357 3.051 10 5 EGBEHM CC(C)(C)n1cnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000344063304 456793591 /nfs/dbraw/zinc/79/35/91/456793591.db2.gz JXQNUSOGBNQLTB-UHFFFAOYSA-N -1 3 345.384 3.408 10 5 EGBEHM CC[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(=O)[O-] ZINC000426673504 457875271 /nfs/dbraw/zinc/87/52/71/457875271.db2.gz FZTZDZILTCERTC-NSHDSACASA-N -1 3 349.412 3.309 10 5 EGBEHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n1 ZINC000436516687 458320744 /nfs/dbraw/zinc/32/07/44/458320744.db2.gz VEXSGTGHFOXLQM-UHFFFAOYSA-N -1 3 332.360 3.067 10 5 EGBEHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596021461 459497385 /nfs/dbraw/zinc/49/73/85/459497385.db2.gz PRDWQJXYMCWWFN-SECBINFHSA-N -1 3 335.813 3.151 10 5 EGBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCNC[C@@H]1c1ccccc1Cl ZINC000593727683 459965573 /nfs/dbraw/zinc/96/55/73/459965573.db2.gz QIEFKQQTFIEUGM-QGZVFWFLSA-N -1 3 347.802 3.100 10 5 EGBEHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000610006496 460050696 /nfs/dbraw/zinc/05/06/96/460050696.db2.gz GZVFRFRPTNDZQQ-AWEZNQCLSA-N -1 3 348.424 3.294 10 5 EGBEHM O=C([N-]Cc1nc2ccccc2o1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001141591577 1378347687 /nfs/dbraw/zinc/34/76/87/1378347687.db2.gz IDBHPLJYWWPQKI-UHFFFAOYSA-N -1 3 347.277 3.144 10 5 EGBEHM CC(C)(C)C(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001148265143 1379141514 /nfs/dbraw/zinc/14/15/14/1379141514.db2.gz ZKDQDPVQDOLCFX-UHFFFAOYSA-N -1 3 343.339 3.177 10 5 EGBEHM Cc1c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)noc1C(C)(C)C ZINC001287996490 1381473295 /nfs/dbraw/zinc/47/32/95/1381473295.db2.gz WXKKHCZDARQUJY-UHFFFAOYSA-N -1 3 347.327 3.170 10 5 EGBEHM Cc1cc(Br)ccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001162530471 1382781540 /nfs/dbraw/zinc/78/15/40/1382781540.db2.gz HWNDTLLMKFNBDU-UHFFFAOYSA-N -1 3 338.161 3.378 10 5 EGBEHM O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1Nc1cccnc1 ZINC000040627461 213361378 /nfs/dbraw/zinc/36/13/78/213361378.db2.gz BVFWVWVLBNYCGW-UHFFFAOYSA-N -1 3 326.291 3.406 10 5 EGBEHM CC(C)=CCSC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000417620058 309214243 /nfs/dbraw/zinc/21/42/43/309214243.db2.gz CHGRGYFCIXGAHG-OAHLLOKOSA-N -1 3 338.429 3.145 10 5 EGBEHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000448492846 310004768 /nfs/dbraw/zinc/00/47/68/310004768.db2.gz PWMZTAPSCYZYEQ-UHFFFAOYSA-N -1 3 341.298 3.372 10 5 EGBEHM O=C([N-]c1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000003241609 452752101 /nfs/dbraw/zinc/75/21/01/452752101.db2.gz DQTHWJILSIXMOM-UHFFFAOYSA-N -1 3 332.366 3.427 10 5 EGBEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064244381 454468931 /nfs/dbraw/zinc/46/89/31/454468931.db2.gz FIMADEAAEPKZST-AWEZNQCLSA-N -1 3 340.426 3.332 10 5 EGBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000357422244 457515049 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326.418 3.090 10 5 EGBEHM COc1ccccc1[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000866271367 1330088684 /nfs/dbraw/zinc/08/86/84/1330088684.db2.gz JBFGFNCCMYRQGC-CYBMUJFWSA-N -1 3 343.383 3.478 10 5 EGBEHM CN(Cc1cccc(Br)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001184992353 1387583241 /nfs/dbraw/zinc/58/32/41/1387583241.db2.gz WUVFLSPTYQPUEM-UHFFFAOYSA-N -1 3 338.161 3.094 10 5 EGBEHM Cc1cccc(-c2cnc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])s2)c1 ZINC000345982876 164309428 /nfs/dbraw/zinc/30/94/28/164309428.db2.gz DPTXCBKZXNRNDJ-UHFFFAOYSA-N -1 3 343.368 3.013 10 5 EGBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1C ZINC000178279432 265305421 /nfs/dbraw/zinc/30/54/21/265305421.db2.gz QXGOPUXSKJLQLX-NSHDSACASA-N -1 3 340.426 3.313 10 5 EGBEHM CC1(c2cc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)no2)CCCC1 ZINC000448409645 310003828 /nfs/dbraw/zinc/00/38/28/310003828.db2.gz HYFUBGPWKXORRO-UHFFFAOYSA-N -1 3 333.319 3.228 10 5 EGBEHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000459383933 310548797 /nfs/dbraw/zinc/54/87/97/310548797.db2.gz HESUQAWTSIYSTO-HNNXBMFYSA-N -1 3 328.372 3.209 10 5 EGBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000189802677 455241638 /nfs/dbraw/zinc/24/16/38/455241638.db2.gz YCBUZIDAYOYBCU-NSHDSACASA-N -1 3 340.426 3.313 10 5 EGBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000189802697 455242020 /nfs/dbraw/zinc/24/20/20/455242020.db2.gz YCBUZIDAYOYBCU-LLVKDONJSA-N -1 3 340.426 3.313 10 5 EGBEHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000032455231 453873813 /nfs/dbraw/zinc/87/38/13/453873813.db2.gz GJVDXBGWKAVBFB-UHFFFAOYSA-N -1 3 338.316 3.143 10 5 EGBEHM N=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC000095931653 454233116 /nfs/dbraw/zinc/23/31/16/454233116.db2.gz JHYTYJPIZSXKIN-UHFFFAOYSA-N -1 3 334.715 3.179 10 5 EGBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C/C=C\c2ccccc2)c1[N+](=O)[O-] ZINC000480727663 459215029 /nfs/dbraw/zinc/21/50/29/459215029.db2.gz 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/nfs/dbraw/zinc/03/06/69/457030669.db2.gz RUUJDPHDBMTFOC-UHFFFAOYSA-N -1 3 331.309 3.252 10 5 EGBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)cc1C ZINC000434775436 458049614 /nfs/dbraw/zinc/04/96/14/458049614.db2.gz NAOGRFAPJGLFBB-UHFFFAOYSA-N -1 3 338.429 3.213 10 5 EGBEHM COc1cc(CNc2cncc3c2CCCC3)c([N+](=O)[O-])cc1[O-] ZINC000594742139 459148823 /nfs/dbraw/zinc/14/88/23/459148823.db2.gz KJAHCOYLZBPHEG-UHFFFAOYSA-N -1 3 329.356 3.195 10 5 EGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C ZINC000522973802 459273488 /nfs/dbraw/zinc/27/34/88/459273488.db2.gz MTZGUURCOVEHKD-NSHDSACASA-N -1 3 344.433 3.097 10 5 EGBEHM CC(C)Cn1ncc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1C(F)F ZINC000596178646 459549795 /nfs/dbraw/zinc/54/97/95/459549795.db2.gz KURKTUVXCMAFBD-UHFFFAOYSA-N -1 3 327.291 3.229 10 5 EGBEHM CCN(Cc1ccc(CN(C)C)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000589196670 460050564 /nfs/dbraw/zinc/05/05/64/460050564.db2.gz RHIRTQUUNMBOQK-UHFFFAOYSA-N -1 3 343.427 3.384 10 5 EGBEHM COc1cc(C(=O)[N-]c2cc(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC000348152693 536529763 /nfs/dbraw/zinc/52/97/63/536529763.db2.gz RWKGFJSEAZEMML-UHFFFAOYSA-N -1 3 326.230 3.273 10 5 EGBEHM O=C([N-]OCCCC(F)(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000871214619 1296279521 /nfs/dbraw/zinc/27/95/21/1296279521.db2.gz PBJWJCAPINBOQQ-UHFFFAOYSA-N -1 3 326.658 3.252 10 5 EGBEHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001124397306 1372698289 /nfs/dbraw/zinc/69/82/89/1372698289.db2.gz ZXGAPYCDMLRNGD-UHFFFAOYSA-N -1 3 337.335 3.305 10 5 EGBEHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(NC2=NCCC2)cc1 ZINC001153455487 1380080173 /nfs/dbraw/zinc/08/01/73/1380080173.db2.gz LEKDCLKONJSONU-UHFFFAOYSA-N -1 3 340.339 3.157 10 5 EGBEHM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c([O-])c1 ZINC001154444296 1380279134 /nfs/dbraw/zinc/27/91/34/1380279134.db2.gz BEPFCUPOSGOQTO-UHFFFAOYSA-N -1 3 346.339 3.349 10 5 EGBEHM COC(=O)c1cc2ccc(Oc3cc[n-]c(=O)c3[N+](=O)[O-])cc2o1 ZINC001163091972 1382963022 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344.433 3.241 10 5 EGBEHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512519982 312188687 /nfs/dbraw/zinc/18/86/87/312188687.db2.gz VUJNCSHSHTUMMY-LBPRGKRZSA-N -1 3 340.426 3.476 10 5 EGBEHM O=C([N-]c1nc2c(ccc3c2CCCC3)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000158242997 455283582 /nfs/dbraw/zinc/28/35/82/455283582.db2.gz HUJQZGHGLNVCFM-UHFFFAOYSA-N -1 3 343.368 3.059 10 5 EGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(Cl)c1 ZINC000434752915 458046407 /nfs/dbraw/zinc/04/64/07/458046407.db2.gz AJHSJQSKPIONKE-UHFFFAOYSA-N -1 3 344.820 3.249 10 5 EGBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C/C=C/c2ccccc2)cc1C ZINC000480047260 459179918 /nfs/dbraw/zinc/17/99/18/459179918.db2.gz POHOFPBQSBSFDU-RMKNXTFCSA-N -1 3 346.408 3.203 10 5 EGBEHM C[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C(=O)[O-] ZINC000582241348 459332682 /nfs/dbraw/zinc/33/26/82/459332682.db2.gz NIJINNRMNBSYOP-LRDDRELGSA-N -1 3 344.367 3.397 10 5 EGBEHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000459383934 310548909 /nfs/dbraw/zinc/54/89/09/310548909.db2.gz HESUQAWTSIYSTO-OAHLLOKOSA-N -1 3 328.372 3.209 10 5 EGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000029940150 453832766 /nfs/dbraw/zinc/83/27/66/453832766.db2.gz OUMZMXOXBCSZGE-MRVPVSSYSA-N -1 3 346.817 3.349 10 5 EGBEHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000532138883 459035396 /nfs/dbraw/zinc/03/53/96/459035396.db2.gz BLBJSYCTEAFUAN-UHFFFAOYSA-N -1 3 329.209 3.400 10 5 EGBEHM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596021465 459497070 /nfs/dbraw/zinc/49/70/70/459497070.db2.gz PRDWQJXYMCWWFN-VIFPVBQESA-N -1 3 335.813 3.151 10 5 EGBEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611277759 460326614 /nfs/dbraw/zinc/32/66/14/460326614.db2.gz IRZIYZSSCTVFCN-UHFFFAOYSA-N -1 3 338.363 3.382 10 5 EGBEHM C[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC001138106198 1377677930 /nfs/dbraw/zinc/67/79/30/1377677930.db2.gz 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CC1(C)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000462317389 310598289 /nfs/dbraw/zinc/59/82/89/310598289.db2.gz NMXURJIUKBGNLK-UHFFFAOYSA-N -1 3 346.836 3.495 10 5 EGBEHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090588236 454324768 /nfs/dbraw/zinc/32/47/68/454324768.db2.gz OQKWPZNRRMIVFN-HNNXBMFYSA-N -1 3 347.346 3.390 10 5 EGBEHM Cc1nc(-c2ccccc2)sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000343450045 456629367 /nfs/dbraw/zinc/62/93/67/456629367.db2.gz DZQDLLWOJXBRBY-UHFFFAOYSA-N -1 3 343.368 3.013 10 5 EGBEHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000339046467 456915120 /nfs/dbraw/zinc/91/51/20/456915120.db2.gz AARXRVSRYMSKGN-QGZVFWFLSA-N -1 3 341.411 3.007 10 5 EGBEHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000590178797 459098024 /nfs/dbraw/zinc/09/80/24/459098024.db2.gz BBSJFNOQIWHXLO-OLQIXAPSSA-N -1 3 348.443 3.452 10 5 EGBEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000594862837 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/nfs/dbraw/zinc/35/65/56/213356556.db2.gz QLYALIJPVCAUAT-UHFFFAOYSA-N -1 3 330.392 3.460 10 5 EGBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000355323927 166164082 /nfs/dbraw/zinc/16/40/82/166164082.db2.gz SQOHKIPBZFPDED-UHFFFAOYSA-N -1 3 348.668 3.253 10 5 EGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000064242800 307356681 /nfs/dbraw/zinc/35/66/81/307356681.db2.gz ZKTDVXMXARQJDX-QMMMGPOBSA-N -1 3 346.817 3.349 10 5 EGBEHM COc1cccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000303821254 308755367 /nfs/dbraw/zinc/75/53/67/308755367.db2.gz PJBAUWFKHKXIRY-UHFFFAOYSA-N -1 3 344.367 3.062 10 5 EGBEHM CCc1ccc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2c1 ZINC000444826385 309931706 /nfs/dbraw/zinc/93/17/06/309931706.db2.gz FJFABVUNGQSACS-UHFFFAOYSA-N -1 3 344.352 3.120 10 5 EGBEHM Cc1cccc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c1[N+](=O)[O-] ZINC000448490905 310004638 /nfs/dbraw/zinc/00/46/38/310004638.db2.gz RADBZHAEYDHYQE-UHFFFAOYSA-N -1 3 341.298 3.372 10 5 EGBEHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][n-]c(CC)c1C ZINC000506328464 312047637 /nfs/dbraw/zinc/04/76/37/312047637.db2.gz AIMNTCGQCAKDOO-UHFFFAOYSA-N -1 3 348.428 3.365 10 5 EGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000055972212 454030262 /nfs/dbraw/zinc/03/02/62/454030262.db2.gz MRRFIOOETYKZHJ-MRVPVSSYSA-N -1 3 346.817 3.349 10 5 EGBEHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000426773965 457899204 /nfs/dbraw/zinc/89/92/04/457899204.db2.gz RSCXHABSQPPNQK-KRWDZBQOSA-N -1 3 344.367 3.217 10 5 EGBEHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)sc1C(F)(F)F ZINC000567566354 459125729 /nfs/dbraw/zinc/12/57/29/459125729.db2.gz CWUOWCGRQQRLOC-UHFFFAOYSA-N -1 3 332.263 3.026 10 5 EGBEHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000594733644 459143502 /nfs/dbraw/zinc/14/35/02/459143502.db2.gz AQCZHSFKBKYJCG-RHSMWYFYSA-N -1 3 348.399 3.074 10 5 EGBEHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594754713 459152056 /nfs/dbraw/zinc/15/20/56/459152056.db2.gz TVUHCASSXKQGFG-UHFFFAOYSA-N -1 3 337.401 3.000 10 5 EGBEHM O=c1[n-]ccc(N2C[C@H](c3ccccc3)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000596271610 459581173 /nfs/dbraw/zinc/58/11/73/459581173.db2.gz SNKOKZMSIKUMPV-CQSZACIVSA-N -1 3 325.368 3.470 10 5 EGBEHM C[C@@H](CN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000573096841 459626229 /nfs/dbraw/zinc/62/62/29/459626229.db2.gz CECUPOBHWDCUIP-AWEZNQCLSA-N -1 3 328.368 3.318 10 5 EGBEHM COc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1Br ZINC001185330441 1387685130 /nfs/dbraw/zinc/68/51/30/1387685130.db2.gz BMQQPTFSZMIDLA-UHFFFAOYSA-N -1 3 340.133 3.210 10 5 EGBEHM CSc1cccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1[N+](=O)[O-] ZINC001141302039 1378297152 /nfs/dbraw/zinc/29/71/52/1378297152.db2.gz MGEWACHTCIWOMW-UHFFFAOYSA-N -1 3 344.352 3.151 10 5 EGBEHM CCOc1cc(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC001164226563 1383168486 /nfs/dbraw/zinc/16/84/86/1383168486.db2.gz VEAZSCJCLFIATG-ZETCQYMHSA-N -1 3 345.281 3.304 10 5 EGBEHM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc([N+](=O)[O-])cc1 ZINC000109109122 162093923 /nfs/dbraw/zinc/09/39/23/162093923.db2.gz LPLNLMCDEWDGLA-UHFFFAOYSA-N -1 3 332.366 3.427 10 5 EGBEHM COc1cccc(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1[O-] ZINC000175459319 265115733 /nfs/dbraw/zinc/11/57/33/265115733.db2.gz RCKJRPOKCNAKPI-NSHDSACASA-N -1 3 330.340 3.108 10 5 EGBEHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000436653165 309766833 /nfs/dbraw/zinc/76/68/33/309766833.db2.gz AJFXIYFWFRHGRR-MRXNPFEDSA-N -1 3 342.351 3.384 10 5 EGBEHM O=C([N-]c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1c(F)cccc1F ZINC000000151053 452523497 /nfs/dbraw/zinc/52/34/97/452523497.db2.gz JMKKAGMOJJCQLK-UHFFFAOYSA-N -1 3 346.245 3.232 10 5 EGBEHM O=C(NCc1ccccc1[N+](=O)[O-])c1cc2c(cc1[O-])CCCC2 ZINC000065618509 454605296 /nfs/dbraw/zinc/60/52/96/454605296.db2.gz WLLPUXCQABMBEB-UHFFFAOYSA-N -1 3 326.352 3.109 10 5 EGBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000480735750 459216617 /nfs/dbraw/zinc/21/66/17/459216617.db2.gz XATLKOZMOHBLTL-NSHDSACASA-N -1 3 348.371 3.068 10 5 EGBEHM O=c1[n-]ccc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000596222520 459566052 /nfs/dbraw/zinc/56/60/52/459566052.db2.gz UYVWGJAKDXJNHJ-JTQLQIEISA-N -1 3 331.294 3.254 10 5 EGBEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000592950648 459722867 /nfs/dbraw/zinc/72/28/67/459722867.db2.gz YKNCRZFMBFVZNM-VIFPVBQESA-N -1 3 334.351 3.053 10 5 EGBEHM Cc1ccc(N(CC2CC2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000863600590 1329565695 /nfs/dbraw/zinc/56/56/95/1329565695.db2.gz ASVYPNUXXAOCMM-UHFFFAOYSA-N -1 3 345.330 3.200 10 5 EGBEHM COc1ccc2cc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])ccc2c1 ZINC001184703353 1387514748 /nfs/dbraw/zinc/51/47/48/1387514748.db2.gz NAMIXYFYDJFRIC-UHFFFAOYSA-N -1 3 325.324 3.469 10 5 EGBEHM O=c1cc(CNc2nc3ccc([N+](=O)[O-])cc3s2)nc(C2CC2)[n-]1 ZINC001187615990 1388131116 /nfs/dbraw/zinc/13/11/16/1388131116.db2.gz TZBHJXRZINVKSD-UHFFFAOYSA-N -1 3 343.368 3.190 10 5 EGBEHM O=C([N-]c1nc2c(s1)CSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC001128909391 1373323547 /nfs/dbraw/zinc/32/35/47/1373323547.db2.gz HZBBUMGZDRECLO-UHFFFAOYSA-N -1 3 339.373 3.232 10 5 EGBEHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063326 1381550357 /nfs/dbraw/zinc/55/03/57/1381550357.db2.gz JYKFJJMCTZREFO-UHFFFAOYSA-N -1 3 346.730 3.011 10 5 EGBEHM COc1cccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1[O-] ZINC000129518230 533396363 /nfs/dbraw/zinc/39/63/63/533396363.db2.gz HWVJJSWGEOWPLY-UHFFFAOYSA-N -1 3 342.351 3.114 10 5 EGBEHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354613535 141314840 /nfs/dbraw/zinc/31/48/40/141314840.db2.gz JWUJKQBIHVXQSI-UHFFFAOYSA-N -1 3 346.364 3.128 10 5 EGBEHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000344056491 164092364 /nfs/dbraw/zinc/09/23/64/164092364.db2.gz ZMSDWSHLYNIYRN-UHFFFAOYSA-N -1 3 349.416 3.306 10 5 EGBEHM O=[N+]([O-])c1cccc(-c2nc(CNCc3ncccc3[O-])cs2)c1 ZINC000355287623 166154794 /nfs/dbraw/zinc/15/47/94/166154794.db2.gz HNVBAUCPQYFXDE-UHFFFAOYSA-N -1 3 342.380 3.109 10 5 EGBEHM Cc1cccc([O-])c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359564116 167195556 /nfs/dbraw/zinc/19/55/56/167195556.db2.gz OSLVWXXCGWDNNF-UHFFFAOYSA-N -1 3 338.266 3.463 10 5 EGBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c1C ZINC000360193741 167267546 /nfs/dbraw/zinc/26/75/46/167267546.db2.gz KQXFIMDTFDHYKC-CABCVRRESA-N -1 3 346.408 3.046 10 5 EGBEHM Cc1c(NC(=O)[N-]OCC(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280833391 275499544 /nfs/dbraw/zinc/49/95/44/275499544.db2.gz VIOOEXNRDFOJPT-UHFFFAOYSA-N -1 3 346.181 3.375 10 5 EGBEHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000436653163 309766907 /nfs/dbraw/zinc/76/69/07/309766907.db2.gz AJFXIYFWFRHGRR-INIZCTEOSA-N -1 3 342.351 3.384 10 5 EGBEHM Cn1c(Sc2nc3ccc([N+](=O)[O-])cc3[n-]2)nnc1C1CCC1 ZINC000450431767 310122272 /nfs/dbraw/zinc/12/22/72/310122272.db2.gz BOJIIMABPCKYMY-UHFFFAOYSA-N -1 3 330.373 3.018 10 5 EGBEHM Cn1c(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)nnc1C1CCC1 ZINC000450431767 310122273 /nfs/dbraw/zinc/12/22/73/310122273.db2.gz BOJIIMABPCKYMY-UHFFFAOYSA-N -1 3 330.373 3.018 10 5 EGBEHM CC(C)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000476605718 310832184 /nfs/dbraw/zinc/83/21/84/310832184.db2.gz YEUWPMXJADYJJZ-UHFFFAOYSA-N -1 3 340.426 3.258 10 5 EGBEHM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)s1 ZINC000098117650 454456988 /nfs/dbraw/zinc/45/69/88/454456988.db2.gz FEUODBMLRBMYAF-MRVPVSSYSA-N -1 3 346.455 3.374 10 5 EGBEHM Cc1ccccc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064242915 454469144 /nfs/dbraw/zinc/46/91/44/454469144.db2.gz UBQHOMWOPYUHPY-JTQLQIEISA-N -1 3 326.399 3.004 10 5 EGBEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000182774094 455585031 /nfs/dbraw/zinc/58/50/31/455585031.db2.gz DCKGIAXVFMMPIV-UHFFFAOYSA-N -1 3 338.363 3.382 10 5 EGBEHM O=c1[n-]ccc(N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000596216840 459563863 /nfs/dbraw/zinc/56/38/63/459563863.db2.gz TVZRJNGKCQWURN-KOLCDFICSA-N -1 3 337.282 3.265 10 5 EGBEHM O=C([N-]c1cc2c([nH]c1=O)CCCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593213987 459809044 /nfs/dbraw/zinc/80/90/44/459809044.db2.gz CNEQXKZQVMVHNN-UHFFFAOYSA-N -1 3 347.758 3.480 10 5 EGBEHM O=c1cc(CNc2nccc3c2cccc3[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001187616265 1388131089 /nfs/dbraw/zinc/13/10/89/1388131089.db2.gz WHQAXIZOSNMBTN-UHFFFAOYSA-N -1 3 337.339 3.128 10 5 EGBEHM COc1ccc([N-]C(=O)c2c(F)cc(OC)cc2F)c([N+](=O)[O-])c1 ZINC001124341019 1372693184 /nfs/dbraw/zinc/69/31/84/1372693184.db2.gz XMMHEOXAVUMXPS-UHFFFAOYSA-N -1 3 338.266 3.143 10 5 EGBEHM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000037975659 202072046 /nfs/dbraw/zinc/07/20/46/202072046.db2.gz VKBYDNMTQQIFEG-UHFFFAOYSA-N -1 3 348.167 3.097 10 5 EGBEHM CN(C)c1ncnc([N-]c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000040588621 202454577 /nfs/dbraw/zinc/45/45/77/202454577.db2.gz AODUXOCWJFFVDK-UHFFFAOYSA-N -1 3 327.266 3.213 10 5 EGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000064242814 307356783 /nfs/dbraw/zinc/35/67/83/307356783.db2.gz RZIQTCHBWYHUCB-QMMMGPOBSA-N -1 3 346.817 3.349 10 5 EGBEHM COc1cc(CNCc2ccc(C3CC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000191684531 153215670 /nfs/dbraw/zinc/21/56/70/153215670.db2.gz UNJFCZAKOFWRSU-UHFFFAOYSA-N -1 3 328.368 3.476 10 5 EGBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)cc1C ZINC000354763773 166025703 /nfs/dbraw/zinc/02/57/03/166025703.db2.gz DIXCLWPGWBTCIF-HUUCEWRRSA-N -1 3 346.408 3.046 10 5 EGBEHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000175457152 265116451 /nfs/dbraw/zinc/11/64/51/265116451.db2.gz GWMDXJBFAGJAEB-CQSZACIVSA-N -1 3 330.340 3.190 10 5 EGBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccs2)cc1C ZINC000193806106 266063336 /nfs/dbraw/zinc/06/33/36/266063336.db2.gz DVFNOQIOOBAEBS-NSHDSACASA-N -1 3 340.426 3.313 10 5 EGBEHM CC(C)=CCSC[C@H](NCc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000417620053 309214273 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459815258 /nfs/dbraw/zinc/81/52/58/459815258.db2.gz PNQHYMTVJQRARM-UHFFFAOYSA-N -1 3 335.389 3.132 10 5 EGBEHM Cc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cs1 ZINC000588334845 459947869 /nfs/dbraw/zinc/94/78/69/459947869.db2.gz FXVKZCBEYVCSFX-UHFFFAOYSA-N -1 3 328.353 3.029 10 5 EGBEHM O=c1[n-]ccc(N2CCc3c(cccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000599158070 460181261 /nfs/dbraw/zinc/18/12/61/460181261.db2.gz JOZKGVKAIRRPHC-UHFFFAOYSA-N -1 3 339.273 3.277 10 5 EGBEHM Cc1ccc(Br)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001186720945 1388000414 /nfs/dbraw/zinc/00/04/14/1388000414.db2.gz QREPEEHYHYUJQS-UHFFFAOYSA-N -1 3 338.161 3.378 10 5 EGBEHM COc1ccc([N-]C(=O)c2cc(Br)co2)c([N+](=O)[O-])c1 ZINC001352704950 1391834927 /nfs/dbraw/zinc/83/49/27/1391834927.db2.gz WNBLOGVERLDRLC-UHFFFAOYSA-N -1 3 341.117 3.211 10 5 EGBEHM COc1ccc(Oc2ncnc([N-]c3ccncc3)c2[N+](=O)[O-])cc1 ZINC000040586497 213355014 /nfs/dbraw/zinc/35/50/14/213355014.db2.gz YWHQGTLQCSNHIP-UHFFFAOYSA-N -1 3 339.311 3.324 10 5 EGBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000360259231 167284457 /nfs/dbraw/zinc/28/44/57/167284457.db2.gz UMKPWQBFBZMBMM-CABCVRRESA-N -1 3 346.408 3.046 10 5 EGBEHM CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000176289572 265167020 /nfs/dbraw/zinc/16/70/20/265167020.db2.gz OQKWPZNRRMIVFN-OAHLLOKOSA-N -1 3 347.346 3.390 10 5 EGBEHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000488793296 311080176 /nfs/dbraw/zinc/08/01/76/311080176.db2.gz IMFNXBTZEONARP-CHWSQXEVSA-N -1 3 326.418 3.088 10 5 EGBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1C ZINC000522048848 312571912 /nfs/dbraw/zinc/57/19/12/312571912.db2.gz CYVCFVHPNAIFOX-MLGOLLRUSA-N -1 3 346.408 3.115 10 5 EGBEHM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000580984797 325316476 /nfs/dbraw/zinc/31/64/76/325316476.db2.gz XMRCDPGZLHAXOG-UHFFFAOYSA-N -1 3 349.412 3.024 10 5 EGBEHM COCc1cc(C(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)no1 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CC(C)N(CCN1CCCCCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345975523 279434425 /nfs/dbraw/zinc/43/44/25/279434425.db2.gz WTGOSKJTUAVAGU-UHFFFAOYSA-N -1 3 349.431 3.027 10 5 EGBEHM CC(C)(CC(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000411751153 308951521 /nfs/dbraw/zinc/95/15/21/308951521.db2.gz ACVGXLPVHBKQFV-UHFFFAOYSA-N -1 3 338.314 3.027 10 5 EGBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000055972206 454030215 /nfs/dbraw/zinc/03/02/15/454030215.db2.gz PZLXWTNJUTUPAQ-SNVBAGLBSA-N -1 3 326.399 3.004 10 5 EGBEHM Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000090371102 454298866 /nfs/dbraw/zinc/29/88/66/454298866.db2.gz XPZMBELRYHLAME-UHFFFAOYSA-N -1 3 328.250 3.030 10 5 EGBEHM Cc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000340679601 456619581 /nfs/dbraw/zinc/61/95/81/456619581.db2.gz NRKTUXYOLXYIOE-GOSISDBHSA-N -1 3 344.342 3.058 10 5 EGBEHM O=C(c1cccc([O-])c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000357372244 457478135 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