smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000797706390 939163592 /nfs/dbraw/zinc/16/35/92/939163592.db2.gz WKGNFOXUMQSDHW-AWEZNQCLSA-N -1 0 365.292 2.498 20 5 FEBDRM CC(=O)c1c(C)[nH]c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1C ZINC000600873864 939804745 /nfs/dbraw/zinc/80/47/45/939804745.db2.gz FSCWYRGOVLAFEF-SFHVURJKSA-N -1 0 373.365 2.472 20 5 FEBDRM O=C(COc1cccc([N+](=O)[O-])c1)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000610846272 939808255 /nfs/dbraw/zinc/80/82/55/939808255.db2.gz XWZOIMQFXHMLFA-SFHVURJKSA-N -1 0 356.334 2.016 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1 ZINC000028258455 539829147 /nfs/dbraw/zinc/82/91/47/539829147.db2.gz RIOWAMRXKFKCIX-UHFFFAOYSA-N -1 0 369.786 2.456 20 5 FEBDRM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000047655232 540322881 /nfs/dbraw/zinc/32/28/81/540322881.db2.gz YGXYUZLIIQMTQG-UHFFFAOYSA-N -1 0 363.395 2.454 20 5 FEBDRM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1)C1CC1 ZINC000067004625 541406160 /nfs/dbraw/zinc/40/61/60/541406160.db2.gz NHBCYGBJKCXLQX-UHFFFAOYSA-N -1 0 368.396 2.201 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000055546054 205220252 /nfs/dbraw/zinc/22/02/52/205220252.db2.gz VUKIXMQZYRWICB-UHFFFAOYSA-N -1 0 350.352 2.475 20 5 FEBDRM Cc1nc(Cl)ccc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000802127452 674161728 /nfs/dbraw/zinc/16/17/28/674161728.db2.gz NBSSMQVECPFSOP-UHFFFAOYSA-N -1 0 373.749 2.209 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)n(C)c3c2)c([N+](=O)[O-])c1 ZINC000102320727 543064870 /nfs/dbraw/zinc/06/48/70/543064870.db2.gz GXMBABHPWWPULA-UHFFFAOYSA-N -1 0 363.351 2.149 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000105565354 543176541 /nfs/dbraw/zinc/17/65/41/543176541.db2.gz VQFPYRUTFGDNNQ-UHFFFAOYSA-N -1 0 367.774 2.400 20 5 FEBDRM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc21 ZINC000115311674 543558781 /nfs/dbraw/zinc/55/87/81/543558781.db2.gz HCYSQDMJXXASLU-UHFFFAOYSA-N -1 0 361.379 2.305 20 5 FEBDRM COCCCn1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000116160492 543601913 /nfs/dbraw/zinc/60/19/13/543601913.db2.gz COQWXFWNRVNTEM-UHFFFAOYSA-N -1 0 374.806 2.282 20 5 FEBDRM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000124930730 543851501 /nfs/dbraw/zinc/85/15/01/543851501.db2.gz VOYXZUYDOLADTJ-UHFFFAOYSA-N -1 0 366.333 2.163 20 5 FEBDRM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000125654197 543894409 /nfs/dbraw/zinc/89/44/09/543894409.db2.gz NZBAULRSUAPDNT-SECBINFHSA-N -1 0 357.215 2.197 20 5 FEBDRM COc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000130266781 544144823 /nfs/dbraw/zinc/14/48/23/544144823.db2.gz BCDIEFUTLBCPBL-UHFFFAOYSA-N -1 0 357.366 2.271 20 5 FEBDRM O=C(NCCc1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130356083 544147893 /nfs/dbraw/zinc/14/78/93/544147893.db2.gz IYQKSSAVUXWBID-UHFFFAOYSA-N -1 0 352.350 2.459 20 5 FEBDRM Cc1c([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cnn1C ZINC000146724882 544441730 /nfs/dbraw/zinc/44/17/30/544441730.db2.gz DXVIHTMBQSWPIY-QMMMGPOBSA-N -1 0 358.807 2.330 20 5 FEBDRM Cc1cc(C)n2nc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])nc2n1 ZINC000181536267 327734685 /nfs/dbraw/zinc/73/46/85/327734685.db2.gz NQTPLOAQQHPEQF-UHFFFAOYSA-N -1 0 362.733 2.261 20 5 FEBDRM O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181880932 327750568 /nfs/dbraw/zinc/75/05/68/327750568.db2.gz OCXJKPJGUPUIRI-UHFFFAOYSA-N -1 0 369.377 2.353 20 5 FEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cn(-c2ccccc2)nn1 ZINC000184872507 327886621 /nfs/dbraw/zinc/88/66/21/327886621.db2.gz KONGJWCRJOYRLS-NSHDSACASA-N -1 0 353.338 2.372 20 5 FEBDRM CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc21 ZINC000187266132 328011971 /nfs/dbraw/zinc/01/19/71/328011971.db2.gz RDMIBAPGCHWAFS-UHFFFAOYSA-N -1 0 368.349 2.253 20 5 FEBDRM COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000187964590 328056743 /nfs/dbraw/zinc/05/67/43/328056743.db2.gz QFUIPUXUOQOAAJ-LLVKDONJSA-N -1 0 354.388 2.108 20 5 FEBDRM Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000192298679 328311880 /nfs/dbraw/zinc/31/18/80/328311880.db2.gz RPLZAMDLZXVXQL-OAHLLOKOSA-N -1 0 369.377 2.140 20 5 FEBDRM CC[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000236995494 328500783 /nfs/dbraw/zinc/50/07/83/328500783.db2.gz DQXRYAKFVKLAMA-VIFPVBQESA-N -1 0 363.292 2.395 20 5 FEBDRM O=C(CCc1nc(-c2ccccn2)no1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540847 325321041 /nfs/dbraw/zinc/32/10/41/325321041.db2.gz ISKFBCYYNLSXFD-UHFFFAOYSA-N -1 0 355.310 2.317 20 5 FEBDRM O=C(NCCc1csc(N2CCCC2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000117983140 326076057 /nfs/dbraw/zinc/07/60/57/326076057.db2.gz DWDRDGDIHSFVFO-UHFFFAOYSA-N -1 0 362.411 2.330 20 5 FEBDRM O=C(Nc1cc(-c2cccs2)nn1CCO)c1cccc([N+](=O)[O-])c1[O-] ZINC000131146282 326569234 /nfs/dbraw/zinc/56/92/34/326569234.db2.gz VUXGBDFDBHMPCK-UHFFFAOYSA-N -1 0 374.378 2.470 20 5 FEBDRM Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000163408133 327050852 /nfs/dbraw/zinc/05/08/52/327050852.db2.gz JHSNJTDWGXCZIX-UHFFFAOYSA-N -1 0 365.289 2.389 20 5 FEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-n2ccnn2)cc1 ZINC000165003379 327075951 /nfs/dbraw/zinc/07/59/51/327075951.db2.gz OKSSXAPHTPYRNI-LLVKDONJSA-N -1 0 353.338 2.372 20 5 FEBDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NCCO ZINC000174671555 327342885 /nfs/dbraw/zinc/34/28/85/327342885.db2.gz XTUMXXBAUSOWSD-UHFFFAOYSA-N -1 0 369.374 2.247 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)ccc1[N+](=O)[O-] ZINC000174760818 327349106 /nfs/dbraw/zinc/34/91/06/327349106.db2.gz OKMXXBXNIPIJNL-UHFFFAOYSA-N -1 0 369.786 2.456 20 5 FEBDRM C[C@@H](CCC(=O)[O-])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262129781 328844563 /nfs/dbraw/zinc/84/45/63/328844563.db2.gz HJXILSYRTVQTTQ-LURJTMIESA-N -1 0 363.139 2.480 20 5 FEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000262671975 328880010 /nfs/dbraw/zinc/88/00/10/328880010.db2.gz PULHSHKTJMLPDI-NSHDSACASA-N -1 0 356.762 2.483 20 5 FEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262929802 328900936 /nfs/dbraw/zinc/90/09/36/328900936.db2.gz JYIPOOXEXMGIAC-GDKCJGSASA-N -1 0 357.366 2.330 20 5 FEBDRM O=C([O-])[C@H](CC(F)F)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262952876 328902901 /nfs/dbraw/zinc/90/29/01/328902901.db2.gz IPVNFZUISBRAOQ-ZETCQYMHSA-N -1 0 356.203 2.452 20 5 FEBDRM COc1ccc(CSCC(=O)N2CCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000263017921 328908735 /nfs/dbraw/zinc/90/87/35/328908735.db2.gz SWGHEEIHNVXLFE-LBPRGKRZSA-N -1 0 368.411 2.302 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CC(=O)[O-])cc1OC ZINC000263031066 328909787 /nfs/dbraw/zinc/90/97/87/328909787.db2.gz UZBYWBMALZXRHU-JTQLQIEISA-N -1 0 352.343 2.081 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c1 ZINC000263045642 328910950 /nfs/dbraw/zinc/91/09/50/328910950.db2.gz ADRLUSLFMLDIOT-CJNGLKHVSA-N -1 0 362.382 2.245 20 5 FEBDRM O=C([O-])C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000263377453 328936567 /nfs/dbraw/zinc/93/65/67/328936567.db2.gz AZAJMZBAAWGHRV-UHFFFAOYSA-N -1 0 361.123 2.091 20 5 FEBDRM CC1CCN(c2ccc(C(=O)NCC3(C(=O)[O-])CC3)cc2[N+](=O)[O-])CC1 ZINC000263414826 328938450 /nfs/dbraw/zinc/93/84/50/328938450.db2.gz HPYCVTHHMVZHPS-UHFFFAOYSA-N -1 0 361.398 2.426 20 5 FEBDRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000263450767 328940473 /nfs/dbraw/zinc/94/04/73/328940473.db2.gz OEAKARWJZMBSTR-RITPCOANSA-N -1 0 363.139 2.335 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1C ZINC000263521002 328945555 /nfs/dbraw/zinc/94/55/55/328945555.db2.gz QXLAQISBKKXRDP-ZYHUDNBSSA-N -1 0 356.400 2.085 20 5 FEBDRM COc1cccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)c1 ZINC000264021558 328985166 /nfs/dbraw/zinc/98/51/66/328985166.db2.gz OZBXMFMIQMKTIQ-CYBMUJFWSA-N -1 0 357.366 2.318 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1[N+](=O)[O-] ZINC000266543787 329234802 /nfs/dbraw/zinc/23/48/02/329234802.db2.gz HEZPXLQJUKINBL-UHFFFAOYSA-N -1 0 354.388 2.257 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]c2nc(SC(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000268205768 329396750 /nfs/dbraw/zinc/39/67/50/329396750.db2.gz SGPKWEHCIIIUCI-UHFFFAOYSA-N -1 0 373.416 2.023 20 5 FEBDRM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000268216797 329397721 /nfs/dbraw/zinc/39/77/21/329397721.db2.gz RNBCJCNBTWCWNX-UHFFFAOYSA-N -1 0 374.419 2.361 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000269189140 329494861 /nfs/dbraw/zinc/49/48/61/329494861.db2.gz WGVMUJYVMSUPGE-NVXWUHKLSA-N -1 0 372.377 2.265 20 5 FEBDRM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269297985 329505329 /nfs/dbraw/zinc/50/53/29/329505329.db2.gz SKTPWJYWZMFXOW-QWHCGFSZSA-N -1 0 363.414 2.457 20 5 FEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000269376031 329512895 /nfs/dbraw/zinc/51/28/95/329512895.db2.gz XNDBDIVMIDEPSH-AWEZNQCLSA-N -1 0 364.398 2.491 20 5 FEBDRM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000270424216 329599506 /nfs/dbraw/zinc/59/95/06/329599506.db2.gz SVZFAUWSTQRFGN-GFCCVEGCSA-N -1 0 364.402 2.317 20 5 FEBDRM CCOC(=O)c1oc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1C ZINC000271143928 329666310 /nfs/dbraw/zinc/66/63/10/329666310.db2.gz GGESBTWAXFXOFX-UHFFFAOYSA-N -1 0 369.355 2.177 20 5 FEBDRM CN(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000272094519 329751554 /nfs/dbraw/zinc/75/15/54/329751554.db2.gz LRTMRYAQSMDCSI-UHFFFAOYSA-N -1 0 370.793 2.286 20 5 FEBDRM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000274411977 329946456 /nfs/dbraw/zinc/94/64/56/329946456.db2.gz MNSWEVXFWXOGBB-NSHDSACASA-N -1 0 350.371 2.494 20 5 FEBDRM C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000275097970 330010478 /nfs/dbraw/zinc/01/04/78/330010478.db2.gz LCCPUBMJHXJGDB-NEPJUHHUSA-N -1 0 356.400 2.106 20 5 FEBDRM CC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000275184335 330019574 /nfs/dbraw/zinc/01/95/74/330019574.db2.gz XATCQQOUQIETHV-ZDUSSCGKSA-N -1 0 362.791 2.124 20 5 FEBDRM O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000275402244 330044699 /nfs/dbraw/zinc/04/46/99/330044699.db2.gz YZXBOWABFNHROC-NSHDSACASA-N -1 0 362.791 2.266 20 5 FEBDRM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000276220317 330130240 /nfs/dbraw/zinc/13/02/40/330130240.db2.gz IVNVSYLJIFEWRP-CYBMUJFWSA-N -1 0 362.791 2.266 20 5 FEBDRM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000276254759 330133923 /nfs/dbraw/zinc/13/39/23/330133923.db2.gz NXHAQWSHJXTKNP-CQSZACIVSA-N -1 0 360.363 2.060 20 5 FEBDRM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000157663427 545768155 /nfs/dbraw/zinc/76/81/55/545768155.db2.gz XQMYZOWWCDLUDQ-CHWSQXEVSA-N -1 0 363.414 2.457 20 5 FEBDRM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000159875554 545988505 /nfs/dbraw/zinc/98/85/05/545988505.db2.gz CILLWYLLCAYJHE-QMMMGPOBSA-N -1 0 357.363 2.248 20 5 FEBDRM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000159996026 545998074 /nfs/dbraw/zinc/99/80/74/545998074.db2.gz DWOVBIWXSCZWFI-ZDUSSCGKSA-N -1 0 355.394 2.477 20 5 FEBDRM COCC1(C(=O)[O-])CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000478928324 561178288 /nfs/dbraw/zinc/17/82/88/561178288.db2.gz NPKBDCNHGFVZOE-UHFFFAOYSA-N -1 0 361.354 2.030 20 5 FEBDRM COC[C@](C)([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(F)(F)F ZINC000479124192 561182087 /nfs/dbraw/zinc/18/20/87/561182087.db2.gz BCBDOTLREWPGLM-LBPRGKRZSA-N -1 0 370.349 2.457 20 5 FEBDRM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000480753279 561215989 /nfs/dbraw/zinc/21/59/89/561215989.db2.gz IEGNXYAQALVLAT-SNVBAGLBSA-N -1 0 362.379 2.133 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc([C@@H]2CCCO2)[nH]n1 ZINC000481871107 561244462 /nfs/dbraw/zinc/24/44/62/561244462.db2.gz ZEDMLPWEICKLBT-LBPRGKRZSA-N -1 0 352.372 2.279 20 5 FEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000481939505 561245832 /nfs/dbraw/zinc/24/58/32/561245832.db2.gz BOJSKQACGHMJRE-UHFFFAOYSA-N -1 0 367.321 2.434 20 5 FEBDRM O=C(NCc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179437229 546953775 /nfs/dbraw/zinc/95/37/75/546953775.db2.gz GOYBPSUQXGOTER-UHFFFAOYSA-N -1 0 371.393 2.063 20 5 FEBDRM CN1CCN([C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000182088412 547435300 /nfs/dbraw/zinc/43/53/00/547435300.db2.gz ACBSWSFSXAPJDU-SFHVURJKSA-N -1 0 370.409 2.228 20 5 FEBDRM CCCC(=O)Nc1ccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000484247878 561294521 /nfs/dbraw/zinc/29/45/21/561294521.db2.gz PTVMJIZMPWTPGH-UHFFFAOYSA-N -1 0 358.354 2.364 20 5 FEBDRM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1O ZINC000484230673 561294126 /nfs/dbraw/zinc/29/41/26/561294126.db2.gz HDGXORJDNZTMLC-UHFFFAOYSA-N -1 0 354.340 2.118 20 5 FEBDRM O=C(CCn1cnc2ccccc2c1=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183908912 547737267 /nfs/dbraw/zinc/73/72/67/547737267.db2.gz VZCDZSVFECEAIO-UHFFFAOYSA-N -1 0 354.322 2.039 20 5 FEBDRM CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000184050204 547760950 /nfs/dbraw/zinc/76/09/50/547760950.db2.gz WFRBLZUZJCEIKO-QMMMGPOBSA-N -1 0 350.306 2.376 20 5 FEBDRM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000484893880 561307925 /nfs/dbraw/zinc/30/79/25/561307925.db2.gz NKUIXMBLMMWFHK-UHFFFAOYSA-N -1 0 364.379 2.302 20 5 FEBDRM COc1ccc(S(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000485066631 561311804 /nfs/dbraw/zinc/31/18/04/561311804.db2.gz ZKYCPESGVLAFQI-LLVKDONJSA-N -1 0 374.415 2.161 20 5 FEBDRM O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000186499816 548144913 /nfs/dbraw/zinc/14/49/13/548144913.db2.gz RBKLMLORCIJMOY-UHFFFAOYSA-N -1 0 357.366 2.256 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000191043904 548339132 /nfs/dbraw/zinc/33/91/32/548339132.db2.gz VYPXZIXEOLPKHX-OAQYLSRUSA-N -1 0 364.401 2.478 20 5 FEBDRM O=C([O-])COc1cccc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000486412022 561346419 /nfs/dbraw/zinc/34/64/19/561346419.db2.gz WDLJVZQTVXSBSF-UHFFFAOYSA-N -1 0 369.333 2.470 20 5 FEBDRM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000487156060 561365100 /nfs/dbraw/zinc/36/51/00/561365100.db2.gz RXEPLBALFLGGBS-UHFFFAOYSA-N -1 0 362.379 2.134 20 5 FEBDRM CC(C)N(CC(=O)[O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000236712528 548774718 /nfs/dbraw/zinc/77/47/18/548774718.db2.gz REYJKABKUWHOBL-UHFFFAOYSA-N -1 0 352.390 2.476 20 5 FEBDRM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)CC2 ZINC000262477654 549822830 /nfs/dbraw/zinc/82/28/30/549822830.db2.gz TXBOAVORKYHFFS-CYBMUJFWSA-N -1 0 359.382 2.496 20 5 FEBDRM CC(C)C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262522485 549826479 /nfs/dbraw/zinc/82/64/79/549826479.db2.gz QXKLCOMNMPUSDX-SNVBAGLBSA-N -1 0 361.354 2.325 20 5 FEBDRM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000262837238 549854536 /nfs/dbraw/zinc/85/45/36/549854536.db2.gz GKQQHFQOUVGCKB-SFHVURJKSA-N -1 0 373.365 2.096 20 5 FEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262849785 549855409 /nfs/dbraw/zinc/85/54/09/549855409.db2.gz BIQGSIQOMDBOFV-MFKMUULPSA-N -1 0 368.411 2.409 20 5 FEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262868155 549857784 /nfs/dbraw/zinc/85/77/84/549857784.db2.gz FWRLSMBQUVOUAX-XEZPLFJOSA-N -1 0 370.365 2.106 20 5 FEBDRM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000262872157 549858406 /nfs/dbraw/zinc/85/84/06/549858406.db2.gz JTQWAYBXVTUTNT-HNNXBMFYSA-N -1 0 356.762 2.202 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000262984316 549868113 /nfs/dbraw/zinc/86/81/13/549868113.db2.gz LFFOECDEBQDISO-QGZVFWFLSA-N -1 0 358.354 2.107 20 5 FEBDRM O=C([O-])CCCOc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000263108910 549878608 /nfs/dbraw/zinc/87/86/08/549878608.db2.gz AHWQKRSSRXTPEZ-UHFFFAOYSA-N -1 0 362.342 2.064 20 5 FEBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000263247901 549889151 /nfs/dbraw/zinc/88/91/51/549889151.db2.gz UVJVTPZJANHRSS-KBPBESRZSA-N -1 0 364.401 2.476 20 5 FEBDRM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269286097 550176652 /nfs/dbraw/zinc/17/66/52/550176652.db2.gz NRIPVYZJPBGBHS-UHFFFAOYSA-N -1 0 373.365 2.291 20 5 FEBDRM CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[N-]OCC(C)C 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/nfs/dbraw/zinc/60/95/93/550609593.db2.gz MWRJFUUVGGGBQO-GFCCVEGCSA-N -1 0 356.400 2.087 20 5 FEBDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000278447804 550787533 /nfs/dbraw/zinc/78/75/33/550787533.db2.gz XJTINZOYKIWJBY-UHFFFAOYSA-N -1 0 356.360 2.130 20 5 FEBDRM Cn1nc([C@@H]2CCCOC2)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280049729 550956106 /nfs/dbraw/zinc/95/61/06/550956106.db2.gz KMOLLCOWCDJODJ-LLVKDONJSA-N -1 0 366.399 2.023 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCC(F)(F)C2)c1 ZINC000280300206 550978146 /nfs/dbraw/zinc/97/81/46/550978146.db2.gz BEPPDXLGBJSICZ-MRVPVSSYSA-N -1 0 364.326 2.007 20 5 FEBDRM CCO[C@H]1C[C@](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])C1(C)C ZINC000281731474 551136335 /nfs/dbraw/zinc/13/63/35/551136335.db2.gz SZBATJLOSDFZDZ-PMLUTSACSA-N -1 0 362.382 2.383 20 5 FEBDRM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000282116589 551182728 /nfs/dbraw/zinc/18/27/28/551182728.db2.gz AWEVUZHIRTWCNN-SSDOTTSWSA-N 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O=C([O-])[C@H]1c2ccsc2CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000324422694 553772020 /nfs/dbraw/zinc/77/20/20/553772020.db2.gz ULHAJSCTVSOBKR-CYBMUJFWSA-N -1 0 368.392 2.029 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000325593394 553777265 /nfs/dbraw/zinc/77/72/65/553777265.db2.gz QMNFZIBJPVLBJQ-ZYHUDNBSSA-N -1 0 358.416 2.461 20 5 FEBDRM O=C([O-])[C@@H]1CC[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000327296683 553787586 /nfs/dbraw/zinc/78/75/86/553787586.db2.gz ZQDMLHRWHXCLCT-DYEKYZERSA-N -1 0 368.411 2.391 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C(=O)[O-])c1C ZINC000327524772 553789598 /nfs/dbraw/zinc/78/95/98/553789598.db2.gz MPZSLTODYYLJFD-CQSZACIVSA-N -1 0 370.427 2.476 20 5 FEBDRM Cc1cc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2C)ccc1C(=O)[O-] ZINC000327641975 553790164 /nfs/dbraw/zinc/79/01/64/553790164.db2.gz SNXAHVRNZCMWLF-UHFFFAOYSA-N -1 0 364.379 2.388 20 5 FEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(c2ncccc2Cl)CC1 ZINC000506093697 561690179 /nfs/dbraw/zinc/69/01/79/561690179.db2.gz DOCWZBXOXZKRLG-UHFFFAOYSA-N -1 0 362.773 2.311 20 5 FEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000508214986 561755550 /nfs/dbraw/zinc/75/55/50/561755550.db2.gz GQMODSMFWQXZAA-HSZRJFAPSA-N -1 0 370.408 2.147 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cccc(C(=O)[O-])c21 ZINC000509166160 561787837 /nfs/dbraw/zinc/78/78/37/561787837.db2.gz SBXSLLLJECMRAK-UHFFFAOYSA-N -1 0 362.363 2.353 20 5 FEBDRM O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000331878878 554337056 /nfs/dbraw/zinc/33/70/56/554337056.db2.gz VVCIPXUVNHAOOW-CQSZACIVSA-N -1 0 361.398 2.354 20 5 FEBDRM O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000360588280 554881189 /nfs/dbraw/zinc/88/11/89/554881189.db2.gz MFJFESMCBACOFG-UHFFFAOYSA-N -1 0 370.365 2.186 20 5 FEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)N=c1cc(-c2cc3ccccc3o2)[n-][nH]1 ZINC000362469502 554973905 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CLWZBXITGAYXMT-UHFFFAOYSA-N -1 0 353.281 2.318 20 5 FEBDRM O=C([O-])N1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000833278872 600811279 /nfs/dbraw/zinc/81/12/79/600811279.db2.gz OWOLXMDXQKDDSK-UHFFFAOYSA-N -1 0 350.331 2.106 20 5 FEBDRM CC[C@@H]1CN(c2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000829160962 600826623 /nfs/dbraw/zinc/82/66/23/600826623.db2.gz KYJLCGYEUUAJND-CMPLNLGQSA-N -1 0 367.427 2.130 20 5 FEBDRM Cc1nn(CCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(C)c1[N+](=O)[O-] ZINC000738921293 600857031 /nfs/dbraw/zinc/85/70/31/600857031.db2.gz IGGSKKDORYHSMV-ZDUSSCGKSA-N -1 0 372.381 2.403 20 5 FEBDRM CC(C)C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262204082 600916295 /nfs/dbraw/zinc/91/62/95/600916295.db2.gz RDMYBWUTMADZSK-ZDUSSCGKSA-N -1 0 360.370 2.257 20 5 FEBDRM Cc1ccccc1-c1cnc(Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)o1 ZINC000738749146 600984793 /nfs/dbraw/zinc/98/47/93/600984793.db2.gz FAPARPQVZPQGMY-UHFFFAOYSA-N -1 0 355.306 2.466 20 5 FEBDRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000827825498 601189346 /nfs/dbraw/zinc/18/93/46/601189346.db2.gz FWJIPZKPXQIYQW-TUAOUCFPSA-N -1 0 364.354 2.356 20 5 FEBDRM COc1cc(C(=O)[O-])sc1S(=O)(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000831949516 601211624 /nfs/dbraw/zinc/21/16/24/601211624.db2.gz ADFMWXHFYJOSHA-UHFFFAOYSA-N -1 0 373.364 2.439 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](O)c1ccccc1F ZINC000833307032 601248807 /nfs/dbraw/zinc/24/88/07/601248807.db2.gz JJQYROHLIYCELO-CYBMUJFWSA-N -1 0 365.273 2.486 20 5 FEBDRM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261983988 601257290 /nfs/dbraw/zinc/25/72/90/601257290.db2.gz RWGNOOFZDGENDE-UHFFFAOYSA-N -1 0 350.780 2.170 20 5 FEBDRM O=C([O-])[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000833352000 601340356 /nfs/dbraw/zinc/34/03/56/601340356.db2.gz WTYXNFZUWZOUGA-HNNXBMFYSA-N -1 0 368.305 2.158 20 5 FEBDRM 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601860052 /nfs/dbraw/zinc/86/00/52/601860052.db2.gz IWNYHFIANRYOJQ-UHFFFAOYSA-N -1 0 361.358 2.171 20 5 FEBDRM CNc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000739755187 602021748 /nfs/dbraw/zinc/02/17/48/602021748.db2.gz HDGCQZSYVYRPBS-ZWNOBZJWSA-N -1 0 350.375 2.287 20 5 FEBDRM COc1ccc(CC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739892085 602098497 /nfs/dbraw/zinc/09/84/97/602098497.db2.gz CIYTWAUHNCEYIR-AAEUAGOBSA-N -1 0 365.386 2.041 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740174628 602266764 /nfs/dbraw/zinc/26/67/64/602266764.db2.gz KFVHKOAFTMBQRQ-OLZOCXBDSA-N -1 0 364.402 2.352 20 5 FEBDRM Cc1ccnc(NC(=O)CN(C)c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000832984342 602316507 /nfs/dbraw/zinc/31/65/07/602316507.db2.gz REXXAMXKDZQZDH-UHFFFAOYSA-N -1 0 358.354 2.380 20 5 FEBDRM CC1CCN(c2ccc(C(=O)NCCN(C)C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739107119 602341780 /nfs/dbraw/zinc/34/17/80/602341780.db2.gz FUIROSUKHGPGTG-UHFFFAOYSA-N -1 0 364.402 2.171 20 5 FEBDRM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738637709 602386443 /nfs/dbraw/zinc/38/64/43/602386443.db2.gz KJCIPRNCOKZJNU-GFCCVEGCSA-N -1 0 364.402 2.244 20 5 FEBDRM O=C([O-])NCc1cccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000740681964 602455754 /nfs/dbraw/zinc/45/57/54/602455754.db2.gz ZBNLCNJMEIQVTA-UHFFFAOYSA-N -1 0 370.314 2.269 20 5 FEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000740237115 602510565 /nfs/dbraw/zinc/51/05/65/602510565.db2.gz FRXRSEFQBKRKCG-QLJPJBMISA-N -1 0 350.375 2.245 20 5 FEBDRM CN(C(=O)[O-])C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000737938729 602533902 /nfs/dbraw/zinc/53/39/02/602533902.db2.gz HROLCZRJENCYDR-UHFFFAOYSA-N -1 0 370.793 2.261 20 5 FEBDRM CCC(CC)(CNC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000739254000 602565024 /nfs/dbraw/zinc/56/50/24/602565024.db2.gz KWYPNKSFCIYUOQ-UHFFFAOYSA-N -1 0 359.404 2.008 20 5 FEBDRM CCC(CC)(CNC(=O)[O-])NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000739254622 602565131 /nfs/dbraw/zinc/56/51/31/602565131.db2.gz RJGHEPBZBHDMPI-UHFFFAOYSA-N -1 0 359.404 2.008 20 5 FEBDRM O=C([O-])c1sccc1S(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000558576082 674504228 /nfs/dbraw/zinc/50/42/28/674504228.db2.gz WVIGXXLWROSRNB-UHFFFAOYSA-N -1 0 354.365 2.106 20 5 FEBDRM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1csc(CNC(=O)[O-])n1 ZINC000739193382 602697705 /nfs/dbraw/zinc/69/77/05/602697705.db2.gz ZBVZNGVDJKDFIT-MRVPVSSYSA-N -1 0 362.367 2.410 20 5 FEBDRM Cc1c(COC(=O)c2csc(CNC(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC000740051957 602722258 /nfs/dbraw/zinc/72/22/58/602722258.db2.gz GGJACTNHSDXQHA-UHFFFAOYSA-N -1 0 351.340 2.484 20 5 FEBDRM O=C([O-])N1CCC[C@@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000740359132 602748723 /nfs/dbraw/zinc/74/87/23/602748723.db2.gz OAFXZCGRKRMGER-GFCCVEGCSA-N -1 0 351.359 2.330 20 5 FEBDRM CCNc1ccc(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000739466627 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Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830531040 604215980 /nfs/dbraw/zinc/21/59/80/604215980.db2.gz AUFJVYMUCAFNKU-OLZOCXBDSA-N -1 0 364.402 2.210 20 5 FEBDRM C[C@H](OC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000825591870 604241548 /nfs/dbraw/zinc/24/15/48/604241548.db2.gz BIVPDFKLPUEWLE-SMDDNHRTSA-N -1 0 352.343 2.358 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000825209201 604260213 /nfs/dbraw/zinc/26/02/13/604260213.db2.gz BPKRNLYDCQCIEC-QWRGUYRKSA-N -1 0 369.349 2.007 20 5 FEBDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000825396637 604456689 /nfs/dbraw/zinc/45/66/89/604456689.db2.gz BYSHMXMGAQIOBW-SNVBAGLBSA-N -1 0 358.354 2.436 20 5 FEBDRM Cc1c(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832848340 604716753 /nfs/dbraw/zinc/71/67/53/604716753.db2.gz AVWQETJNDLWZLX-UHFFFAOYSA-N -1 0 351.315 2.281 20 5 FEBDRM 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C[C@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000547891710 673898676 /nfs/dbraw/zinc/89/86/76/673898676.db2.gz WMFLCHFRVLNUKW-ZBFHGGJFSA-N -1 0 370.427 2.090 20 5 FEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000547936762 673907013 /nfs/dbraw/zinc/90/70/13/673907013.db2.gz QVNXRSKPPIAFGP-GWCFXTLKSA-N -1 0 358.416 2.461 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2C(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC000747105131 673907023 /nfs/dbraw/zinc/90/70/23/673907023.db2.gz UYXRFHHDKYRAQW-UHFFFAOYSA-N -1 0 356.400 2.091 20 5 FEBDRM CC1([C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])CCCCC1 ZINC000548029289 673916425 /nfs/dbraw/zinc/91/64/25/673916425.db2.gz LRGJJMLYRWNCGB-AWEZNQCLSA-N -1 0 370.427 2.438 20 5 FEBDRM CC(C)(C)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000548202084 673933631 /nfs/dbraw/zinc/93/36/31/673933631.db2.gz DKNFYMQTPNPCIA-GFCCVEGCSA-N -1 0 358.416 2.151 20 5 FEBDRM C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000548244023 673941568 /nfs/dbraw/zinc/94/15/68/673941568.db2.gz FGBOVMINKGYUJM-LBPRGKRZSA-N -1 0 370.427 2.247 20 5 FEBDRM C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000548252199 673943037 /nfs/dbraw/zinc/94/30/37/673943037.db2.gz YXXVPOCTVSZIBI-LDYMZIIASA-N -1 0 362.791 2.122 20 5 FEBDRM CC1([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)[O-])CCCCC1 ZINC000548355824 673953063 /nfs/dbraw/zinc/95/30/63/673953063.db2.gz NKTSVSFZATVFGP-CYBMUJFWSA-N -1 0 356.400 2.297 20 5 FEBDRM CCc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])cc1 ZINC000548536167 673967402 /nfs/dbraw/zinc/96/74/02/673967402.db2.gz DFYWUYWPEKSIPU-ZDUSSCGKSA-N -1 0 370.408 2.323 20 5 FEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000548558950 673971874 /nfs/dbraw/zinc/97/18/74/673971874.db2.gz QYEIHFRRPXLKTB-AWEZNQCLSA-N -1 0 358.416 2.331 20 5 FEBDRM O=C([O-])CN(C1CCCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000548563341 673972737 /nfs/dbraw/zinc/97/27/37/673972737.db2.gz GIZSWXKHZMLVJV-UHFFFAOYSA-N -1 0 370.427 2.186 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000548567831 673973737 /nfs/dbraw/zinc/97/37/37/673973737.db2.gz PHWGMTHTIDMCPX-CYBMUJFWSA-N -1 0 368.342 2.147 20 5 FEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548592486 673977529 /nfs/dbraw/zinc/97/75/29/673977529.db2.gz MXGQRYNPEOQKNM-CMPLNLGQSA-N -1 0 358.416 2.461 20 5 FEBDRM C[C@@H](CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548618987 673980498 /nfs/dbraw/zinc/98/04/98/673980498.db2.gz CKUIOJCTLHOIJB-QMMMGPOBSA-N -1 0 364.807 2.416 20 5 FEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000566554596 675223898 /nfs/dbraw/zinc/22/38/98/675223898.db2.gz LZPFLTMIGYLZBL-UHFFFAOYSA-N -1 0 367.774 2.233 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(N2CCN(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC000566681207 675234483 /nfs/dbraw/zinc/23/44/83/675234483.db2.gz FIMJOXBQFZXXBY-UHFFFAOYSA-N -1 0 364.383 2.085 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000567609629 675306122 /nfs/dbraw/zinc/30/61/22/675306122.db2.gz USEGCNOIUXZROG-GWCFXTLKSA-N -1 0 354.384 2.246 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)/C=C\[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000819935821 675325862 /nfs/dbraw/zinc/32/58/62/675325862.db2.gz MYYXZXZKKJOJSH-LWTINBJPSA-N -1 0 374.802 2.097 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)/C=C\[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000819935825 675325898 /nfs/dbraw/zinc/32/58/98/675325898.db2.gz MYYXZXZKKJOJSH-UMCURTJPSA-N -1 0 374.802 2.097 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1 ZINC000821603071 675442829 /nfs/dbraw/zinc/44/28/29/675442829.db2.gz IPUXZWIDGOGWHE-UHFFFAOYSA-N -1 0 367.358 2.284 20 5 FEBDRM CCOCCN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000827759850 675776852 /nfs/dbraw/zinc/77/68/52/675776852.db2.gz FTEJQYUHGGRBOF-UHFFFAOYSA-N -1 0 368.777 2.248 20 5 FEBDRM Cc1cccc(OC[C@@H](C)NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000604306934 675804162 /nfs/dbraw/zinc/80/41/62/675804162.db2.gz WVKNJWILQHNQOL-GFCCVEGCSA-N -1 0 366.395 2.355 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc2onc(C)c2c1 ZINC000619467422 676378152 /nfs/dbraw/zinc/37/81/52/676378152.db2.gz GUBOCFJIEQJRMV-UHFFFAOYSA-N -1 0 364.339 2.249 20 5 FEBDRM C[C@@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000838781471 680719076 /nfs/dbraw/zinc/71/90/76/680719076.db2.gz KDDOYOXVNHETBS-QMMMGPOBSA-N -1 0 354.306 2.129 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2CC(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000838784821 680719358 /nfs/dbraw/zinc/71/93/58/680719358.db2.gz UZYVVAASXDTCPL-UHFFFAOYSA-N -1 0 370.427 2.481 20 5 FEBDRM CN(OCc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000761330908 680719997 /nfs/dbraw/zinc/71/99/97/680719997.db2.gz KMHRJLODIOBECK-UHFFFAOYSA-N -1 0 366.351 2.045 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000761418549 680722876 /nfs/dbraw/zinc/72/28/76/680722876.db2.gz OPKHUCMBGBOCIB-UHFFFAOYSA-N -1 0 370.770 2.376 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000761417394 680722884 /nfs/dbraw/zinc/72/28/84/680722884.db2.gz CCEDCHMPKYVPBL-SNVBAGLBSA-N -1 0 368.367 2.113 20 5 FEBDRM C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000762994917 680768278 /nfs/dbraw/zinc/76/82/78/680768278.db2.gz JMALKGLHBQCOFV-KWQFWETISA-N -1 0 374.802 2.058 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000763926053 680795867 /nfs/dbraw/zinc/79/58/67/680795867.db2.gz VRHKFXIZPLRPOS-LLVKDONJSA-N -1 0 364.379 2.212 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000764077866 680799653 /nfs/dbraw/zinc/79/96/53/680799653.db2.gz UTFLNMBBMMEJKI-SECBINFHSA-N -1 0 370.333 2.482 20 5 FEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000764655226 680817861 /nfs/dbraw/zinc/81/78/61/680817861.db2.gz HWCDDTFVVWTPGD-UHFFFAOYSA-N -1 0 372.346 2.329 20 5 FEBDRM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000840900443 680851516 /nfs/dbraw/zinc/85/15/16/680851516.db2.gz WUVXMGQPGTWXLQ-NSHDSACASA-N -1 0 356.400 2.350 20 5 FEBDRM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000748639218 679982863 /nfs/dbraw/zinc/98/28/63/679982863.db2.gz BMZCQHGGOKEAKC-UHFFFAOYSA-N -1 0 363.395 2.420 20 5 FEBDRM CCn1ccnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832025308 680077602 /nfs/dbraw/zinc/07/76/02/680077602.db2.gz KHQBYWAWXREBPH-UHFFFAOYSA-N -1 0 362.770 2.082 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000751822858 680202103 /nfs/dbraw/zinc/20/21/03/680202103.db2.gz HQALEHSFGROHCD-MNOVXSKESA-N -1 0 358.803 2.408 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000835029100 680287329 /nfs/dbraw/zinc/28/73/29/680287329.db2.gz QFXKOKYJQSAYRP-RNFRBKRXSA-N -1 0 372.708 2.252 20 5 FEBDRM CC(C)(C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000835034703 680288720 /nfs/dbraw/zinc/28/87/20/680288720.db2.gz YGDIODITERPLRC-UHFFFAOYSA-N -1 0 350.343 2.222 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000835035900 680289116 /nfs/dbraw/zinc/28/91/16/680289116.db2.gz MUQJRCSXHRWQBM-ZYHUDNBSSA-N -1 0 356.400 2.091 20 5 FEBDRM O=C(CC1CC(F)(F)C1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000835107384 680295852 /nfs/dbraw/zinc/29/58/52/680295852.db2.gz CRSLWSNMZOANEA-UHFFFAOYSA-N -1 0 368.745 2.489 20 5 FEBDRM CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000835227888 680308510 /nfs/dbraw/zinc/30/85/10/680308510.db2.gz RYGMZZWFVAZKMR-DZGCQCFKSA-N -1 0 354.428 2.410 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1cccc([N+](=O)[O-])c1 ZINC000835741806 680375537 /nfs/dbraw/zinc/37/55/37/680375537.db2.gz IZOMDCRNBNFVOR-ZSEWYUTFSA-N -1 0 352.412 2.333 20 5 FEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000755868249 680441089 /nfs/dbraw/zinc/44/10/89/680441089.db2.gz KFXSBUSKKTWOCO-CLFYSBASSA-N -1 0 367.408 2.268 20 5 FEBDRM CC[C@@H](CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000837290479 680582091 /nfs/dbraw/zinc/58/20/91/680582091.db2.gz AYXDHDJBFHLOQF-VIFPVBQESA-N -1 0 364.807 2.336 20 5 FEBDRM COC1CCC(CC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000759176314 680633054 /nfs/dbraw/zinc/63/30/54/680633054.db2.gz LPDIBMMUYVLLLV-UHFFFAOYSA-N -1 0 370.427 2.136 20 5 FEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1[N+](=O)[O-] ZINC000766374543 680874997 /nfs/dbraw/zinc/87/49/97/680874997.db2.gz FWLUAUPKQGUIDD-UHFFFAOYSA-N -1 0 350.278 2.435 20 5 FEBDRM COCCCCS(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000766970878 680895052 /nfs/dbraw/zinc/89/50/52/680895052.db2.gz ZSIUNPYDTCYFHR-UHFFFAOYSA-N -1 0 372.424 2.296 20 5 FEBDRM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H](C)O1 ZINC000841559660 680897740 /nfs/dbraw/zinc/89/77/40/680897740.db2.gz GKYGMMJBKBVQMV-VGMNWLOBSA-N -1 0 366.798 2.479 20 5 FEBDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842406043 680944798 /nfs/dbraw/zinc/94/47/98/680944798.db2.gz OWAVVWMTRAYXFA-GFCCVEGCSA-N -1 0 358.416 2.054 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)cs1 ZINC000768886252 680963353 /nfs/dbraw/zinc/96/33/53/680963353.db2.gz AXTBLYLDMOISOH-UHFFFAOYSA-N -1 0 351.369 2.242 20 5 FEBDRM C[C@@](O)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000769498738 680985218 /nfs/dbraw/zinc/98/52/18/680985218.db2.gz MSPBZOMDBURDHK-MRXNPFEDSA-N -1 0 352.293 2.216 20 5 FEBDRM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000769910598 681000119 /nfs/dbraw/zinc/00/01/19/681000119.db2.gz XHZVHYVVQDDIQM-SSDOTTSWSA-N -1 0 360.779 2.288 20 5 FEBDRM O=C(/C=C/c1ccsc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770774880 681027233 /nfs/dbraw/zinc/02/72/33/681027233.db2.gz INTJDIQOXUZIFA-DAFODLJHSA-N -1 0 356.356 2.314 20 5 FEBDRM CC1CCC2(CC1)OC[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])O2 ZINC000844210506 681044802 /nfs/dbraw/zinc/04/48/02/681044802.db2.gz AOTQQNQFCYEFKY-CSJGVYOVSA-N -1 0 351.359 2.422 20 5 FEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1n[n-]c(=S)o1 ZINC000773090346 681125222 /nfs/dbraw/zinc/12/52/22/681125222.db2.gz UPKHVYJHIWVCIT-MRVPVSSYSA-N -1 0 354.413 2.106 20 5 FEBDRM CSCC1(CC(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000845508572 681133809 /nfs/dbraw/zinc/13/38/09/681133809.db2.gz WEBRMLXFDUHPLZ-UHFFFAOYSA-N -1 0 362.404 2.072 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000774112710 681169329 /nfs/dbraw/zinc/16/93/29/681169329.db2.gz TWSDQWVHUCBZHC-NSHDSACASA-N -1 0 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MPIDCJGIXILFQC-KGLIPLIRSA-N -1 0 361.398 2.134 20 5 FEBDRM Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)cs1 ZINC000194742699 328438255 /nfs/dbraw/zinc/43/82/55/328438255.db2.gz IUMMPZGZYNIAEP-UHFFFAOYSA-N -1 0 362.411 2.023 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1C ZINC000013464451 324376352 /nfs/dbraw/zinc/37/63/52/324376352.db2.gz XRUHBJDVNIXCDS-UHFFFAOYSA-N -1 0 366.351 2.416 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1 ZINC000118301371 326087391 /nfs/dbraw/zinc/08/73/91/326087391.db2.gz FDTXSAIXFZWHQF-UHFFFAOYSA-N -1 0 350.278 2.154 20 5 FEBDRM Cc1ccccc1OCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123747938 326441646 /nfs/dbraw/zinc/44/16/46/326441646.db2.gz UGARYTMWMXOTSO-UHFFFAOYSA-N -1 0 354.359 2.400 20 5 FEBDRM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000125339752 326469971 /nfs/dbraw/zinc/46/99/71/326469971.db2.gz DQPQQCQFGLLJAQ-SNVBAGLBSA-N -1 0 360.388 2.116 20 5 FEBDRM COCc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128578017 326526155 /nfs/dbraw/zinc/52/61/55/326526155.db2.gz GBFYEJCDXZADOI-UHFFFAOYSA-N -1 0 354.359 2.359 20 5 FEBDRM CCc1ccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)cc1[N+](=O)[O-] ZINC000174237512 327314717 /nfs/dbraw/zinc/31/47/17/327314717.db2.gz STSPXBGCXFQBKU-UHFFFAOYSA-N -1 0 369.381 2.040 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000174741804 327347894 /nfs/dbraw/zinc/34/78/94/327347894.db2.gz LEGCVQICRBCOEV-QFIPXVFZSA-N -1 0 354.409 2.441 20 5 FEBDRM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(C)o1 ZINC000175350087 327388576 /nfs/dbraw/zinc/38/85/76/327388576.db2.gz BGCFTRSVIXUUGJ-LLVKDONJSA-N -1 0 358.347 2.301 20 5 FEBDRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000261792162 328820048 /nfs/dbraw/zinc/82/00/48/328820048.db2.gz KLVSKNWKFJAZHK-MRVPVSSYSA-N -1 0 362.260 2.083 20 5 FEBDRM COc1ccc(CSCC(=O)NC[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000262252460 328854354 /nfs/dbraw/zinc/85/43/54/328854354.db2.gz SGAOFIRGAXTBKC-SNVBAGLBSA-N -1 0 356.400 2.064 20 5 FEBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000262431565 328865439 /nfs/dbraw/zinc/86/54/39/328865439.db2.gz RRQJBBIFRVXQAB-DGFSRKRXSA-N -1 0 366.345 2.357 20 5 FEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262686677 328881122 /nfs/dbraw/zinc/88/11/22/328881122.db2.gz VDICYWJXFJKXOH-ZJUUUORDSA-N -1 0 356.762 2.339 20 5 FEBDRM O=C([O-])C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000262713217 328883432 /nfs/dbraw/zinc/88/34/32/328883432.db2.gz QJBGJQQOTIMSHL-UHFFFAOYSA-N -1 0 356.762 2.340 20 5 FEBDRM Cc1nn(CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000262742501 328885822 /nfs/dbraw/zinc/88/58/22/328885822.db2.gz ACUMFBCAMCIQRL-GFCCVEGCSA-N -1 0 354.407 2.194 20 5 FEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000262794370 328890030 /nfs/dbraw/zinc/89/00/30/328890030.db2.gz OPSMIDGBJOZWFX-OAHLLOKOSA-N -1 0 365.342 2.357 20 5 FEBDRM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000262968993 328904501 /nfs/dbraw/zinc/90/45/01/328904501.db2.gz IPHIJYJLYCSBPD-UWVGGRQHSA-N -1 0 354.384 2.021 20 5 FEBDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000263184457 328923074 /nfs/dbraw/zinc/92/30/74/328923074.db2.gz ZWFFGZZJUOPEFO-QGZVFWFLSA-N -1 0 350.371 2.083 20 5 FEBDRM Cc1nn(CCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c(C)c1[N+](=O)[O-] ZINC000263249806 328928315 /nfs/dbraw/zinc/92/83/15/328928315.db2.gz SQCRHDOWMNBOLP-UHFFFAOYSA-N -1 0 364.333 2.203 20 5 FEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000263367405 328935360 /nfs/dbraw/zinc/93/53/60/328935360.db2.gz WOZGJIXOQRMDCE-WQGACYEGSA-N -1 0 370.365 2.106 20 5 FEBDRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000263542048 328946443 /nfs/dbraw/zinc/94/64/43/328946443.db2.gz RKWZJMVXOPQDHI-DOMZBBRYSA-N -1 0 350.371 2.328 20 5 FEBDRM O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269108448 329486617 /nfs/dbraw/zinc/48/66/17/329486617.db2.gz CIKXDRSXLFOIOD-SFHVURJKSA-N -1 0 371.393 2.104 20 5 FEBDRM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271472769 329696418 /nfs/dbraw/zinc/69/64/18/329696418.db2.gz IUWCBXFCNMWQRM-JOYOIKCWSA-N -1 0 353.400 2.187 20 5 FEBDRM O=C(C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000272375218 329775434 /nfs/dbraw/zinc/77/54/34/329775434.db2.gz ICERBTUQIWFRAH-GFCCVEGCSA-N -1 0 360.322 2.007 20 5 FEBDRM C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000275166572 330017501 /nfs/dbraw/zinc/01/75/01/330017501.db2.gz UTRHXHWXAVGKLA-QWRGUYRKSA-N -1 0 374.390 2.245 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000275200977 330021450 /nfs/dbraw/zinc/02/14/50/330021450.db2.gz BECWATAUEWKRRW-NSHDSACASA-N -1 0 372.399 2.011 20 5 FEBDRM COc1ccc(S(=O)(=O)NCCCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000275218177 330023112 /nfs/dbraw/zinc/02/31/12/330023112.db2.gz IGBOVWHPWXLBIX-UHFFFAOYSA-N -1 0 374.415 2.307 20 5 FEBDRM CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000275328561 330035764 /nfs/dbraw/zinc/03/57/64/330035764.db2.gz QEBNFDCKWQWJNK-SECBINFHSA-N -1 0 364.807 2.288 20 5 FEBDRM COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000275358762 330039202 /nfs/dbraw/zinc/03/92/02/330039202.db2.gz UQEJYSNBPFCOFZ-LLVKDONJSA-N -1 0 372.399 2.011 20 5 FEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000275544527 330061755 /nfs/dbraw/zinc/06/17/55/330061755.db2.gz DGBBFFWPEJIYTK-PTRXPTGYSA-N -1 0 374.802 2.122 20 5 FEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000275544530 330061965 /nfs/dbraw/zinc/06/19/65/330061965.db2.gz DGBBFFWPEJIYTK-SBMIAAHKSA-N -1 0 374.802 2.122 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])n1 ZINC000554150435 674306031 /nfs/dbraw/zinc/30/60/31/674306031.db2.gz MKUZJWZRJCYWPX-UHFFFAOYSA-N -1 0 365.293 2.026 20 5 FEBDRM NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000554332755 674313186 /nfs/dbraw/zinc/31/31/86/674313186.db2.gz NEISLVYXDFVTOJ-UHFFFAOYSA-N -1 0 355.759 2.148 20 5 FEBDRM O=c1[nH]c2cccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c2[nH]1 ZINC000555129884 674349161 /nfs/dbraw/zinc/34/91/61/674349161.db2.gz RCZISPLNQSVBQB-UHFFFAOYSA-N -1 0 352.303 2.117 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1OC1CC1 ZINC000805881325 674358453 /nfs/dbraw/zinc/35/84/53/674358453.db2.gz ZLKXZMAYFBLUSI-UHFFFAOYSA-N -1 0 368.392 2.316 20 5 FEBDRM COC(=O)Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000477429026 561144775 /nfs/dbraw/zinc/14/47/75/561144775.db2.gz UKDPKWHLJMGPCM-UHFFFAOYSA-N -1 0 364.379 2.420 20 5 FEBDRM O=C(NCc1n[nH]c(=O)[n-]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000478545081 561169229 /nfs/dbraw/zinc/16/92/29/561169229.db2.gz VYUUYAYTWHEQJM-UHFFFAOYSA-N -1 0 355.310 2.141 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000160245855 546021311 /nfs/dbraw/zinc/02/13/11/546021311.db2.gz VYBIZYSPLQJEFD-UHFFFAOYSA-N -1 0 364.305 2.463 20 5 FEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000161207287 546109422 /nfs/dbraw/zinc/10/94/22/546109422.db2.gz KUPAOARRXYQBSD-UHFFFAOYSA-N -1 0 363.395 2.372 20 5 FEBDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000161262785 546115273 /nfs/dbraw/zinc/11/52/73/546115273.db2.gz LLVDUSWUPVUNSV-UHFFFAOYSA-N -1 0 363.395 2.372 20 5 FEBDRM COC(=O)c1cncc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000479119449 561181991 /nfs/dbraw/zinc/18/19/91/561181991.db2.gz RNPFZQZGVCUXMH-UHFFFAOYSA-N -1 0 365.367 2.194 20 5 FEBDRM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483435214 561277080 /nfs/dbraw/zinc/27/70/80/561277080.db2.gz QJGPUZMQZVCKOJ-ZDUSSCGKSA-N -1 0 352.391 2.361 20 5 FEBDRM O=C(Nc1ccccc1CN1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181906827 547402195 /nfs/dbraw/zinc/40/21/95/547402195.db2.gz RJOCKUUBDBAVCJ-UHFFFAOYSA-N -1 0 357.366 2.385 20 5 FEBDRM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181943962 547410054 /nfs/dbraw/zinc/41/00/54/547410054.db2.gz GTGFEADXFOBTMZ-CHWSQXEVSA-N -1 0 363.414 2.457 20 5 FEBDRM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000181947094 547411704 /nfs/dbraw/zinc/41/17/04/547411704.db2.gz YNYWQNCSSIALGQ-LBPRGKRZSA-N -1 0 363.414 2.313 20 5 FEBDRM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182110638 547439301 /nfs/dbraw/zinc/43/93/01/547439301.db2.gz RKBUWKVYBCJMIU-ZDUSSCGKSA-N -1 0 361.398 2.211 20 5 FEBDRM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1O ZINC000484197591 561293377 /nfs/dbraw/zinc/29/33/77/561293377.db2.gz XNWGGGXCRBPABB-UHFFFAOYSA-N -1 0 354.340 2.118 20 5 FEBDRM Cc1c([N-]S(=O)(=O)c2cn[nH]c2)cc(Br)cc1[N+](=O)[O-] ZINC000485395142 561318141 /nfs/dbraw/zinc/31/81/41/561318141.db2.gz CSFCYHYPTBXEQJ-UHFFFAOYSA-N -1 0 361.177 2.190 20 5 FEBDRM CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000185594627 548007385 /nfs/dbraw/zinc/00/73/85/548007385.db2.gz OSDPANIBARQQEB-GFCCVEGCSA-N -1 0 359.386 2.493 20 5 FEBDRM COc1ccccc1O[C@H](C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000485746614 561327243 /nfs/dbraw/zinc/32/72/43/561327243.db2.gz JGRAZGDMXGFWPJ-LLVKDONJSA-N -1 0 374.349 2.499 20 5 FEBDRM COc1ccc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 ZINC000485651126 561324915 /nfs/dbraw/zinc/32/49/15/561324915.db2.gz ALJDKVGJWFJALA-UHFFFAOYSA-N -1 0 374.349 2.283 20 5 FEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)c3c(c2)OCCO3)[nH]1 ZINC000486023337 561335570 /nfs/dbraw/zinc/33/55/70/561335570.db2.gz AVPWBBPQBGCENC-OWOJBTEDSA-N -1 0 351.702 2.391 20 5 FEBDRM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000486189831 561340538 /nfs/dbraw/zinc/34/05/38/561340538.db2.gz IXONEHAVCSTGPF-GFCCVEGCSA-N -1 0 361.358 2.164 20 5 FEBDRM O=C([O-])c1csc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000486374757 561345570 /nfs/dbraw/zinc/34/55/70/561345570.db2.gz GTYJLAQJSPMIPB-UHFFFAOYSA-N -1 0 360.351 2.021 20 5 FEBDRM Cc1ccc([C@@H](CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000486412323 561346436 /nfs/dbraw/zinc/34/64/36/561346436.db2.gz WLNREPUGTPQXKS-OAHLLOKOSA-N -1 0 371.393 2.324 20 5 FEBDRM CCC[C@@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C(=O)[O-] ZINC000236894889 548787306 /nfs/dbraw/zinc/78/73/06/548787306.db2.gz OPZKMFBZYGRMFT-OAHLLOKOSA-N -1 0 374.397 2.440 20 5 FEBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1[N+](=O)[O-] ZINC000488311765 561387796 /nfs/dbraw/zinc/38/77/96/561387796.db2.gz SRGRXBYLQWXBJF-UHFFFAOYSA-N -1 0 372.378 2.396 20 5 FEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261847767 549762612 /nfs/dbraw/zinc/76/26/12/549762612.db2.gz JCRDIOBDQPKWEU-LOWVWBTDSA-N -1 0 354.384 2.001 20 5 FEBDRM Cc1nn(CCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000262362696 549814387 /nfs/dbraw/zinc/81/43/87/549814387.db2.gz IWQFBFZPMPKSGG-MCIONIFRSA-N -1 0 364.402 2.043 20 5 FEBDRM Cc1nn(CCC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000262471760 549822204 /nfs/dbraw/zinc/82/22/04/549822204.db2.gz CEVSJQMBPDYOSQ-QGZVFWFLSA-N -1 0 372.381 2.009 20 5 FEBDRM O=C([O-])[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000262608014 549831595 /nfs/dbraw/zinc/83/15/95/549831595.db2.gz ARWKDDFGZAEBGE-GOSISDBHSA-N -1 0 350.374 2.134 20 5 FEBDRM O=C([O-])[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 ZINC000262608016 549831798 /nfs/dbraw/zinc/83/17/98/549831798.db2.gz ARWKDDFGZAEBGE-SFHVURJKSA-N -1 0 350.374 2.134 20 5 FEBDRM C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C(=O)[O-])C1 ZINC000262913967 549861932 /nfs/dbraw/zinc/86/19/32/549861932.db2.gz FOMGBLIIZWGMFK-OTYXRUKQSA-N -1 0 359.338 2.174 20 5 FEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262929816 549863949 /nfs/dbraw/zinc/86/39/49/549863949.db2.gz JYIPOOXEXMGIAC-SVKFGRERSA-N -1 0 357.366 2.330 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000263099376 549877717 /nfs/dbraw/zinc/87/77/17/549877717.db2.gz FHMRREIJMHLJGE-GFCCVEGCSA-N -1 0 358.416 2.237 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC000493032563 561454169 /nfs/dbraw/zinc/45/41/69/561454169.db2.gz KUKMPWIQCODKQP-UHFFFAOYSA-N -1 0 351.384 2.470 20 5 FEBDRM O=C([O-])c1c(NS(=O)(=O)CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000274923085 550565179 /nfs/dbraw/zinc/56/51/79/550565179.db2.gz BFPYVQRUVKYHMI-UHFFFAOYSA-N -1 0 356.278 2.377 20 5 FEBDRM CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)oc1C ZINC000278525370 550795390 /nfs/dbraw/zinc/79/53/90/550795390.db2.gz HJOJHUXSKXRSQK-UHFFFAOYSA-N -1 0 369.355 2.177 20 5 FEBDRM Cn1nc([C@H]2CCCOC2)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280049736 550955879 /nfs/dbraw/zinc/95/58/79/550955879.db2.gz KMOLLCOWCDJODJ-NSHDSACASA-N -1 0 366.399 2.023 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC[C@H]1C(=O)[O-] ZINC000282821787 551274045 /nfs/dbraw/zinc/27/40/45/551274045.db2.gz LQLUWIOVNQLWFS-LBPRGKRZSA-N -1 0 372.399 2.011 20 5 FEBDRM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285699534 551797323 /nfs/dbraw/zinc/79/73/23/551797323.db2.gz ROEGBJBWYQALOQ-GMSGAONNSA-N -1 0 352.771 2.091 20 5 FEBDRM CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000285878212 551822569 /nfs/dbraw/zinc/82/25/69/551822569.db2.gz GBYPVMNUHRCJHD-GFCCVEGCSA-N -1 0 351.359 2.041 20 5 FEBDRM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C[C@H](C)O ZINC000285967459 551832843 /nfs/dbraw/zinc/83/28/43/551832843.db2.gz LBDNIFATQMXYFK-SFYZADRCSA-N -1 0 354.787 2.073 20 5 FEBDRM COc1ccc2c(c1)CCN2S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C 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TYKOXTHQWVZOHN-UHFFFAOYSA-N -1 0 368.353 2.086 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000319934990 553764265 /nfs/dbraw/zinc/76/42/65/553764265.db2.gz DDJROGVEQQJZKI-UHFFFAOYSA-N -1 0 364.807 2.480 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000323994494 553770970 /nfs/dbraw/zinc/77/09/70/553770970.db2.gz CZYKIQBKSJXKLG-CQSZACIVSA-N -1 0 350.352 2.007 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000324035404 553771173 /nfs/dbraw/zinc/77/11/73/553771173.db2.gz PVEWPKROVHUSOV-AWEZNQCLSA-N -1 0 350.352 2.007 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@@H](C)CCC[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000325584012 553777224 /nfs/dbraw/zinc/77/72/24/553777224.db2.gz GLWYYLAVLMPNGP-NEPJUHHUSA-N -1 0 358.416 2.461 20 5 FEBDRM COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C ZINC000326449769 553780593 /nfs/dbraw/zinc/78/05/93/553780593.db2.gz NXVPBHNXSZNLKP-UHFFFAOYSA-N -1 0 371.396 2.256 20 5 FEBDRM 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O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN(CCc2cccs2)CC1 ZINC000506779940 561708526 /nfs/dbraw/zinc/70/85/26/561708526.db2.gz UPSAMQQMWWJPKE-UHFFFAOYSA-N -1 0 361.423 2.362 20 5 FEBDRM Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000506806152 561709074 /nfs/dbraw/zinc/70/90/74/561709074.db2.gz PNJAILCJNYQEED-UHFFFAOYSA-N -1 0 371.349 2.278 20 5 FEBDRM COc1cc(NCCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc(OC)c1 ZINC000507286781 561723713 /nfs/dbraw/zinc/72/37/13/561723713.db2.gz YCABCEQLAAKDSG-UHFFFAOYSA-N -1 0 361.354 2.160 20 5 FEBDRM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000507857617 561743591 /nfs/dbraw/zinc/74/35/91/561743591.db2.gz BJYUQASZOMJRKL-UHFFFAOYSA-N -1 0 365.309 2.010 20 5 FEBDRM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000330777602 554169925 /nfs/dbraw/zinc/16/99/25/554169925.db2.gz KMLAWBVIIFNAPM-LBPRGKRZSA-N -1 0 363.414 2.315 20 5 FEBDRM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000508322514 561758968 /nfs/dbraw/zinc/75/89/68/561758968.db2.gz QZPHABOYRVPGIC-UHFFFAOYSA-N -1 0 354.340 2.392 20 5 FEBDRM O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331908447 554344786 /nfs/dbraw/zinc/34/47/86/554344786.db2.gz ZSOXWMHYHNQMHE-HNNXBMFYSA-N -1 0 361.398 2.354 20 5 FEBDRM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000509487331 561801792 /nfs/dbraw/zinc/80/17/92/561801792.db2.gz HPNANDOLFLQLSL-QWHCGFSZSA-N -1 0 363.414 2.457 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332303585 554421188 /nfs/dbraw/zinc/42/11/88/554421188.db2.gz KZYHJCPXLMIBBU-MRVPVSSYSA-N -1 0 352.734 2.357 20 5 FEBDRM COC(=O)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000510673431 561843065 /nfs/dbraw/zinc/84/30/65/561843065.db2.gz BLLFHTFWYTZBHN-HNNXBMFYSA-N -1 0 358.350 2.295 20 5 FEBDRM Cc1occc1C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000363025286 555013185 /nfs/dbraw/zinc/01/31/85/555013185.db2.gz 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ZINC000548534663 673967055 /nfs/dbraw/zinc/96/70/55/673967055.db2.gz UIBWOIVHOFQSEF-GFCCVEGCSA-N -1 0 356.381 2.069 20 5 FEBDRM O=C([O-])CCC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000548570696 673974348 /nfs/dbraw/zinc/97/43/48/673974348.db2.gz UXNGZCMUOPHAFD-UHFFFAOYSA-N -1 0 356.400 2.001 20 5 FEBDRM CC1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC000548837331 674000092 /nfs/dbraw/zinc/00/00/92/674000092.db2.gz GOWCHVMIMHHUAD-UHFFFAOYSA-N -1 0 356.400 2.048 20 5 FEBDRM C[C@@H]([C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000548862614 674002048 /nfs/dbraw/zinc/00/20/48/674002048.db2.gz IDJMXNIIXRIUHM-JMCQJSRRSA-N -1 0 362.791 2.026 20 5 FEBDRM CC(C)(CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000818430177 675218943 /nfs/dbraw/zinc/21/89/43/675218943.db2.gz FAODQIMGWXPVTR-UHFFFAOYSA-N -1 0 368.770 2.167 20 5 FEBDRM Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000818505051 675222028 /nfs/dbraw/zinc/22/20/28/675222028.db2.gz IMPFHILIDBXTCI-ZDUSSCGKSA-N -1 0 351.384 2.165 20 5 FEBDRM CC(C)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nncn1C ZINC000567355176 675286858 /nfs/dbraw/zinc/28/68/58/675286858.db2.gz UUSSIDCHYTVJAN-NSHDSACASA-N -1 0 353.766 2.209 20 5 FEBDRM CC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)CCS1 ZINC000567585218 675304106 /nfs/dbraw/zinc/30/41/06/675304106.db2.gz VKARMHRCLSVSCV-SNVBAGLBSA-N -1 0 374.440 2.118 20 5 FEBDRM CCc1ccc(S(=O)(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1[N+](=O)[O-] ZINC000567799373 675324366 /nfs/dbraw/zinc/32/43/66/675324366.db2.gz MYFDWBAIUIIYIJ-UHFFFAOYSA-N -1 0 368.367 2.235 20 5 FEBDRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000819968386 675327763 /nfs/dbraw/zinc/32/77/63/675327763.db2.gz QTLTZZGIXRCJSG-KOLCDFICSA-N -1 0 371.371 2.134 20 5 FEBDRM CCC(C)(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000567885747 675332658 /nfs/dbraw/zinc/33/26/58/675332658.db2.gz BIMJYEIEKIQFDG-NSHDSACASA-N -1 0 364.807 2.416 20 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ZINC000838936443 680728292 /nfs/dbraw/zinc/72/82/92/680728292.db2.gz PUCAAXRECDBJTN-UHFFFAOYSA-N -1 0 353.400 2.332 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCCOCC ZINC000839055242 680734606 /nfs/dbraw/zinc/73/46/06/680734606.db2.gz FLXIPAAAPPDOLC-UHFFFAOYSA-N -1 0 373.431 2.038 20 5 FEBDRM C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000763003846 680768530 /nfs/dbraw/zinc/76/85/30/680768530.db2.gz DEUXELNZKRLFGA-WPRPVWTQSA-N -1 0 374.802 2.058 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000763929350 680795873 /nfs/dbraw/zinc/79/58/73/680795873.db2.gz YZUANFBVWJONBD-VIFPVBQESA-N -1 0 370.333 2.482 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000764059585 680799072 /nfs/dbraw/zinc/79/90/72/680799072.db2.gz UPIOZEQBDACIJF-VIFPVBQESA-N -1 0 368.333 2.487 20 5 FEBDRM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000840900493 680851511 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CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000756276394 680470205 /nfs/dbraw/zinc/47/02/05/680470205.db2.gz XCRPFEJMJBDWFP-JTQLQIEISA-N -1 0 364.445 2.303 20 5 FEBDRM C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000759554299 680655883 /nfs/dbraw/zinc/65/58/83/680655883.db2.gz SRYIERDMDABVGH-ZJUUUORDSA-N -1 0 371.371 2.134 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000766687438 680884807 /nfs/dbraw/zinc/88/48/07/680884807.db2.gz MFZIBIUFCGQJJT-UHFFFAOYSA-N -1 0 370.305 2.006 20 5 FEBDRM COC[C@@H](C)S(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841562403 680898472 /nfs/dbraw/zinc/89/84/72/680898472.db2.gz YWBGCLDXKYAIJU-HQJQHLMTSA-N -1 0 374.312 2.292 20 5 FEBDRM CC(C)[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000841773983 680911194 /nfs/dbraw/zinc/91/11/94/680911194.db2.gz AAMWWJUZBGXIHD-SECBINFHSA-N -1 0 371.198 2.289 20 5 FEBDRM 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ZINC000761430048 680723259 /nfs/dbraw/zinc/72/32/59/680723259.db2.gz TZNMOXCGSGXEFO-JTQLQIEISA-N -1 0 356.400 2.235 20 5 FEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NCC)CC1 ZINC000838933529 680728027 /nfs/dbraw/zinc/72/80/27/680728027.db2.gz KLCAMMUWMFGWSU-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)COC(C)(C)CC ZINC000838936012 680728229 /nfs/dbraw/zinc/72/82/29/680728229.db2.gz MCJPUZKPWMDLQJ-UHFFFAOYSA-N -1 0 373.431 2.037 20 5 FEBDRM Cc1nc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)ccc1[N+](=O)[O-] ZINC000766047961 680864227 /nfs/dbraw/zinc/86/42/27/680864227.db2.gz CRWQSBDAIDWDKX-UHFFFAOYSA-N -1 0 373.803 2.462 20 5 FEBDRM CC[C@H](C)CO[N-]C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000832732273 680170856 /nfs/dbraw/zinc/17/08/56/680170856.db2.gz CQQCXMLQPJGLEV-VIFPVBQESA-N -1 0 357.313 2.127 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000835035459 680288737 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MSIDLXHIPAEVMF-UHFFFAOYSA-N -1 0 353.375 2.287 20 5 FEBDRM O=C(COc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000835937677 680400617 /nfs/dbraw/zinc/40/06/17/680400617.db2.gz RCVWVHVEGYXVQI-UHFFFAOYSA-N -1 0 370.427 2.390 20 5 FEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)c2cnc(C)s2)cc1[N+](=O)[O-] ZINC000755898911 680443316 /nfs/dbraw/zinc/44/33/16/680443316.db2.gz OGUDKKQUARTCGZ-UHFFFAOYSA-N -1 0 373.437 2.200 20 5 FEBDRM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)O1 ZINC000757294241 680521110 /nfs/dbraw/zinc/52/11/10/680521110.db2.gz QIBLOQLRKFTXQE-QPUJVOFHSA-N -1 0 362.791 2.011 20 5 FEBDRM O=C(CSc1n[n-]c(=S)s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757640971 680529427 /nfs/dbraw/zinc/52/94/27/680529427.db2.gz BYGITYQKZQAIIF-UHFFFAOYSA-N -1 0 368.465 2.412 20 5 FEBDRM CC[C@@H](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837291898 680582602 /nfs/dbraw/zinc/58/26/02/680582602.db2.gz LUSRLWPMSSXKLC-ZETCQYMHSA-N -1 0 368.770 2.167 20 5 FEBDRM CCOC(=O)c1ncccc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000759482241 680651892 /nfs/dbraw/zinc/65/18/92/680651892.db2.gz HJRFFKJXJZWZTL-UHFFFAOYSA-N -1 0 365.367 2.108 20 5 FEBDRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000759550710 680655890 /nfs/dbraw/zinc/65/58/90/680655890.db2.gz CFAFZLGGUJLAAK-UHFFFAOYSA-N -1 0 371.371 2.278 20 5 FEBDRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000759554288 680655977 /nfs/dbraw/zinc/65/59/77/680655977.db2.gz SRYIERDMDABVGH-NXEZZACHSA-N -1 0 371.371 2.134 20 5 FEBDRM COCCN(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000766991124 680896032 /nfs/dbraw/zinc/89/60/32/680896032.db2.gz YXZPVTZBULLLPY-LLVKDONJSA-N -1 0 356.400 2.025 20 5 FEBDRM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[C@H](O)C(C)C ZINC000841562141 680898280 /nfs/dbraw/zinc/89/82/80/680898280.db2.gz TYXUZWMSPMSEDI-ZWNOBZJWSA-N -1 0 368.814 2.461 20 5 FEBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000912487972 685383059 /nfs/dbraw/zinc/38/30/59/685383059.db2.gz IURCYEUABGWQPR-NSHDSACASA-N -1 0 361.320 2.399 20 5 FEBDRM Cc1oc2ccccc2c1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000767993970 680934828 /nfs/dbraw/zinc/93/48/28/680934828.db2.gz RSWMMAUYRUCYCV-UHFFFAOYSA-N -1 0 361.335 2.163 20 5 FEBDRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc([N+](=O)[O-])c1F ZINC000768279256 680942528 /nfs/dbraw/zinc/94/25/28/680942528.db2.gz INXWXMJFXBKUDD-UHFFFAOYSA-N -1 0 370.314 2.247 20 5 FEBDRM CO[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000842404134 680944423 /nfs/dbraw/zinc/94/44/23/680944423.db2.gz OCXPPEXHMGONPL-OCCSQVGLSA-N -1 0 370.427 2.054 20 5 FEBDRM CSCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842451085 680947796 /nfs/dbraw/zinc/94/77/96/680947796.db2.gz HMUMMGCJIDVGMB-UHFFFAOYSA-N -1 0 372.346 2.172 20 5 FEBDRM Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000768506762 680948603 /nfs/dbraw/zinc/94/86/03/680948603.db2.gz BRRHXEHFZTUXJQ-UHFFFAOYSA-N -1 0 373.387 2.312 20 5 FEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000842586634 680953633 /nfs/dbraw/zinc/95/36/33/680953633.db2.gz OVFGAMNWBCYFBD-UHFFFAOYSA-N -1 0 351.388 2.044 20 5 FEBDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(O)c1 ZINC000768881108 680963163 /nfs/dbraw/zinc/96/31/63/680963163.db2.gz KJWOGBFRPHBEBL-UHFFFAOYSA-N -1 0 372.380 2.339 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000769621404 680989343 /nfs/dbraw/zinc/98/93/43/680989343.db2.gz OZLCJWBPARROGF-UHFFFAOYSA-N -1 0 371.758 2.231 20 5 FEBDRM CCC(C)(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000843296196 680996353 /nfs/dbraw/zinc/99/63/53/680996353.db2.gz LCEHWAKLVOLMQU-LLVKDONJSA-N -1 0 364.807 2.416 20 5 FEBDRM CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000770777300 681027356 /nfs/dbraw/zinc/02/73/56/681027356.db2.gz ZWYQPLQUEULSSZ-UHFFFAOYSA-N -1 0 373.387 2.180 20 5 FEBDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770775886 681027369 /nfs/dbraw/zinc/02/73/69/681027369.db2.gz OWEVOQDXMJLAQP-UHFFFAOYSA-N -1 0 368.342 2.251 20 5 FEBDRM CS/C=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000771564879 681059971 /nfs/dbraw/zinc/05/99/71/681059971.db2.gz DNFCMVVAYFPXBW-ONEGZZNKSA-N -1 0 350.805 2.238 20 5 FEBDRM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000844695337 681074815 /nfs/dbraw/zinc/07/48/15/681074815.db2.gz VYLFRTJJBUWIBJ-SSDOTTSWSA-N -1 0 371.198 2.385 20 5 FEBDRM CSCC1(CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000845528894 681135519 /nfs/dbraw/zinc/13/55/19/681135519.db2.gz HFFXFYAWAFNDSH-UHFFFAOYSA-N -1 0 358.441 2.241 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000774029044 681165446 /nfs/dbraw/zinc/16/54/46/681165446.db2.gz NJEWXQKFVNYBBI-UHFFFAOYSA-N -1 0 364.379 2.339 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1coc(C2CCC2)n1 ZINC000774256974 681175614 /nfs/dbraw/zinc/17/56/14/681175614.db2.gz JTTAFYRTYJRADY-UHFFFAOYSA-N -1 0 365.367 2.277 20 5 FEBDRM O=C([O-])[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC1CCCC1 ZINC000776554359 681404620 /nfs/dbraw/zinc/40/46/20/681404620.db2.gz DXIAMAIVKAJIOX-NSHDSACASA-N -1 0 374.390 2.293 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000776561883 681405910 /nfs/dbraw/zinc/40/59/10/681405910.db2.gz APNCYIDHRMGHNW-SECBINFHSA-N -1 0 364.807 2.192 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-])cc([N+](=O)[O-])c1F ZINC000776562171 681406097 /nfs/dbraw/zinc/40/60/97/681406097.db2.gz STPSOOIVKRJZGE-JTQLQIEISA-N -1 0 362.379 2.354 20 5 FEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000776582977 681410584 /nfs/dbraw/zinc/41/05/84/681410584.db2.gz BHHANGCAXCBMHB-ONGXEEELSA-N -1 0 362.379 2.292 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C(C)C)[C@@H](C)C(=O)[O-] ZINC000776677961 681424865 /nfs/dbraw/zinc/42/48/65/681424865.db2.gz ZBHCPNXPRLZIPP-VIFPVBQESA-N -1 0 364.807 2.429 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC000776719075 681429943 /nfs/dbraw/zinc/42/99/43/681429943.db2.gz SCNDORWSDASHSY-PELKAZGASA-N -1 0 362.791 2.040 20 5 FEBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000777590620 681507743 /nfs/dbraw/zinc/50/77/43/681507743.db2.gz FNRSQJXNRMQXBN-UHFFFAOYSA-N -1 0 371.302 2.452 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](F)Cc1ccccc1 ZINC000778295123 681593908 /nfs/dbraw/zinc/59/39/08/681593908.db2.gz QILRQFDUGPQTMZ-CQSZACIVSA-N -1 0 370.333 2.120 20 5 FEBDRM COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000778295821 681593944 /nfs/dbraw/zinc/59/39/44/681593944.db2.gz UCBQYJBTIGYRKI-JTQLQIEISA-N -1 0 358.416 2.079 20 5 FEBDRM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000778513417 681619317 /nfs/dbraw/zinc/61/93/17/681619317.db2.gz BBKHXBWFFBASSR-SNVBAGLBSA-N -1 0 353.375 2.334 20 5 FEBDRM COCc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000779189262 681686467 /nfs/dbraw/zinc/68/64/67/681686467.db2.gz MCDMYZKXLGGXAG-UHFFFAOYSA-N -1 0 370.408 2.063 20 5 FEBDRM COCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000779301827 681699923 /nfs/dbraw/zinc/69/99/23/681699923.db2.gz WITJOPYLQGQHSN-UHFFFAOYSA-N -1 0 364.379 2.168 20 5 FEBDRM CCC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000780317808 681814054 /nfs/dbraw/zinc/81/40/54/681814054.db2.gz VMQRRVWDZAHFBT-GXFFZTMASA-N -1 0 374.390 2.134 20 5 FEBDRM CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCO1 ZINC000781803334 681975319 /nfs/dbraw/zinc/97/53/19/681975319.db2.gz DPROWTZGLQQVSD-MWLCHTKSSA-N -1 0 362.429 2.057 20 5 FEBDRM CCCCSCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850889261 681975300 /nfs/dbraw/zinc/97/53/00/681975300.db2.gz WIKRTCZSWIIFCV-UHFFFAOYSA-N -1 0 364.420 2.462 20 5 FEBDRM CC(C)(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000851329454 682052953 /nfs/dbraw/zinc/05/29/53/682052953.db2.gz MBVQTRGEVMYVHV-UHFFFAOYSA-N -1 0 363.395 2.406 20 5 FEBDRM CC(=O)[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000783096142 682111643 /nfs/dbraw/zinc/11/16/43/682111643.db2.gz KCLRNOTZLNIVLP-LLVKDONJSA-N -1 0 370.427 2.494 20 5 FEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000916175162 685522311 /nfs/dbraw/zinc/52/23/11/685522311.db2.gz IYBLNGKCUNLCRB-UHFFFAOYSA-N -1 0 371.396 2.040 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000916182180 685522393 /nfs/dbraw/zinc/52/23/93/685522393.db2.gz RYLJEBZGQWJICF-KTKRTIGZSA-N -1 0 361.379 2.367 20 5 FEBDRM O=C(Nc1nc(Br)ccc1O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000783905635 682185558 /nfs/dbraw/zinc/18/55/58/682185558.db2.gz WYVHDWOZPVLUCG-UHFFFAOYSA-N -1 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Cc1cc(Cl)c(S(=O)(=O)NCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000274914647 329992117 /nfs/dbraw/zinc/99/21/17/329992117.db2.gz LJMRNAJKLIUHRZ-UHFFFAOYSA-N -1 0 350.780 2.090 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1C ZINC000275074328 330007699 /nfs/dbraw/zinc/00/76/99/330007699.db2.gz HMINPULVUWJTHB-OAHLLOKOSA-N -1 0 356.400 2.087 20 5 FEBDRM O=C([O-])CCCCCCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000275302904 330032566 /nfs/dbraw/zinc/03/25/66/330032566.db2.gz QQDPADFXVPLLQL-UHFFFAOYSA-N -1 0 372.443 2.482 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000275321116 330035056 /nfs/dbraw/zinc/03/50/56/330035056.db2.gz PGAMCBNRAGKSDY-LBPRGKRZSA-N -1 0 356.400 2.311 20 5 FEBDRM O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000275402239 330044607 /nfs/dbraw/zinc/04/46/07/330044607.db2.gz YZXBOWABFNHROC-LLVKDONJSA-N -1 0 362.791 2.266 20 5 FEBDRM Cc1csc(N2CCCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000367145979 330222499 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ZINC000186901958 548215708 /nfs/dbraw/zinc/21/57/08/548215708.db2.gz STFYSIPZCSTJKE-UHFFFAOYSA-N -1 0 350.278 2.154 20 5 FEBDRM O=C([O-])Cc1ccccc1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000486061827 561337156 /nfs/dbraw/zinc/33/71/56/561337156.db2.gz PDKRRHYVFGQZDO-UHFFFAOYSA-N -1 0 367.321 2.055 20 5 FEBDRM O=C([O-])[C@H]1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000238133352 548879455 /nfs/dbraw/zinc/87/94/55/548879455.db2.gz BIEUBOYLVZJLLB-AWEZNQCLSA-N -1 0 364.401 2.478 20 5 FEBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000488234353 561386707 /nfs/dbraw/zinc/38/67/07/561386707.db2.gz SIVGZPKPPFGBPE-UHFFFAOYSA-N -1 0 370.314 2.272 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000261690591 549743484 /nfs/dbraw/zinc/74/34/84/549743484.db2.gz NPKFKFBSWJVAKC-DYEKYZERSA-N -1 0 368.411 2.310 20 5 FEBDRM CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000262174628 549795748 /nfs/dbraw/zinc/79/57/48/549795748.db2.gz 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccn(C2CCOCC2)n1 ZINC000849311696 681683762 /nfs/dbraw/zinc/68/37/62/681683762.db2.gz PJBRKATZDUKMBK-UHFFFAOYSA-N -1 0 370.362 2.083 20 5 FEBDRM C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779675688 681740319 /nfs/dbraw/zinc/74/03/19/681740319.db2.gz ZJCJLBUKVUJFBU-SNVBAGLBSA-N -1 0 353.375 2.191 20 5 FEBDRM CC(C)OC(=O)N1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000780512773 681836095 /nfs/dbraw/zinc/83/60/95/681836095.db2.gz RKIRTZDDWPRMPK-UHFFFAOYSA-N -1 0 351.359 2.040 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC000850885233 681973875 /nfs/dbraw/zinc/97/38/75/681973875.db2.gz BGGNWVOCVBTCCJ-CBINBANVSA-N -1 0 356.375 2.365 20 5 FEBDRM CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000781798989 681974805 /nfs/dbraw/zinc/97/48/05/681974805.db2.gz PHXBDTIUUOBDAC-VIFPVBQESA-N -1 0 371.371 2.134 20 5 FEBDRM C[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 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CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164370168 327069175 /nfs/dbraw/zinc/06/91/75/327069175.db2.gz QPJUIAFVFXHNLC-JSGCOSHPSA-N -1 0 363.414 2.457 20 5 FEBDRM O=C([O-])C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000165086598 327076634 /nfs/dbraw/zinc/07/66/34/327076634.db2.gz KNTIMYRBTDQWES-UHFFFAOYSA-N -1 0 357.160 2.294 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165185521 327077259 /nfs/dbraw/zinc/07/72/59/327077259.db2.gz FLCLKUFJBXLDAN-CYBMUJFWSA-N -1 0 357.160 2.294 20 5 FEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000172316146 327195266 /nfs/dbraw/zinc/19/52/66/327195266.db2.gz BMBCTSMHHDMSFY-UHFFFAOYSA-N -1 0 359.360 2.064 20 5 FEBDRM COc1cc(OCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000262160508 328847021 /nfs/dbraw/zinc/84/70/21/328847021.db2.gz CQIVLEBBQXFJMY-GFCCVEGCSA-N -1 0 366.370 2.228 20 5 FEBDRM CCCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000262439165 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IGYXKHQIFMCVCM-UHFFFAOYSA-N -1 0 373.372 2.108 20 5 FEBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nnc2n1CCCCC2 ZINC000267948932 329370872 /nfs/dbraw/zinc/37/08/72/329370872.db2.gz SWPNAGOBXHBWMW-LBPRGKRZSA-N -1 0 359.386 2.499 20 5 FEBDRM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000269210808 329496772 /nfs/dbraw/zinc/49/67/72/329496772.db2.gz AYIBITAWTLPNBM-LLVKDONJSA-N -1 0 365.386 2.382 20 5 FEBDRM CCc1ncsc1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269474598 329523529 /nfs/dbraw/zinc/52/35/29/329523529.db2.gz MPLYCQCWAMZJCQ-UHFFFAOYSA-N -1 0 371.396 2.186 20 5 FEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000272451260 329782260 /nfs/dbraw/zinc/78/22/60/329782260.db2.gz AVYNIBKYQCJMQY-NSHDSACASA-N -1 0 357.370 2.247 20 5 FEBDRM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272556455 329791360 /nfs/dbraw/zinc/79/13/60/329791360.db2.gz QCAINXKLHVEEHG-NSHDSACASA-N -1 0 351.359 2.040 20 5 FEBDRM 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562552561 /nfs/dbraw/zinc/55/25/61/562552561.db2.gz SDDLGAWZWNJTDN-UHFFFAOYSA-N -1 0 357.351 2.191 20 5 FEBDRM O=C([O-])COc1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000540669209 562590842 /nfs/dbraw/zinc/59/08/42/562590842.db2.gz FUMSWAXATCVGAO-UHFFFAOYSA-N -1 0 374.305 2.082 20 5 FEBDRM CCCc1[nH]nc(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)c1[N+](=O)[O-] ZINC000550122203 562642973 /nfs/dbraw/zinc/64/29/73/562642973.db2.gz HTXISSQMPRUXAH-UHFFFAOYSA-N -1 0 371.357 2.322 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccsc3)o2)s1 ZINC000556045217 674386094 /nfs/dbraw/zinc/38/60/94/674386094.db2.gz HKEUYVUNHCTXEH-UHFFFAOYSA-N -1 0 372.409 2.492 20 5 FEBDRM O=C([O-])CN(Cc1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000568709438 568136695 /nfs/dbraw/zinc/13/66/95/568136695.db2.gz LFZVPQQINAGWSH-UHFFFAOYSA-N -1 0 357.366 2.434 20 5 FEBDRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)[O-])C1 ZINC000569000944 568266145 /nfs/dbraw/zinc/26/61/45/568266145.db2.gz 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ZINC000740186709 599774716 /nfs/dbraw/zinc/77/47/16/599774716.db2.gz PPSWXPTZZQTSGW-UHFFFAOYSA-N -1 0 365.319 2.091 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1C(=O)[O-] ZINC000737905557 599829686 /nfs/dbraw/zinc/82/96/86/599829686.db2.gz KWYSIMBSPKFSHF-UHFFFAOYSA-N -1 0 374.305 2.097 20 5 FEBDRM Cc1cc(N[C@@H]2CCCN(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000738452717 599842734 /nfs/dbraw/zinc/84/27/34/599842734.db2.gz RNMKIOWHGBYALA-CYBMUJFWSA-N -1 0 357.370 2.336 20 5 FEBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000738203032 599863124 /nfs/dbraw/zinc/86/31/24/599863124.db2.gz MWEYTLQGMUHMTK-LLVKDONJSA-N -1 0 364.383 2.294 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000738305258 599922826 /nfs/dbraw/zinc/92/28/26/599922826.db2.gz LIAVQWRNMMRNQH-MRVPVSSYSA-N -1 0 351.315 2.137 20 5 FEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ocnc1C1CC1 ZINC000808981736 674477141 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FOBNAZUIKRHWDI-SFHVURJKSA-N -1 0 372.333 2.443 20 5 FEBDRM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736218083 600138901 /nfs/dbraw/zinc/13/89/01/600138901.db2.gz KBAZTKTXHJXYGJ-NXEZZACHSA-N -1 0 355.778 2.372 20 5 FEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000809067429 674481937 /nfs/dbraw/zinc/48/19/37/674481937.db2.gz PHAJOSPEFPEICP-UHFFFAOYSA-N -1 0 364.379 2.172 20 5 FEBDRM Cc1cccc2c1CCN(c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000738748187 600162313 /nfs/dbraw/zinc/16/23/13/600162313.db2.gz PAKJXCXNWJZAOR-UHFFFAOYSA-N -1 0 369.377 2.280 20 5 FEBDRM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000738568044 600164852 /nfs/dbraw/zinc/16/48/52/600164852.db2.gz USPXVECBDCYQJT-OAHLLOKOSA-N -1 0 373.321 2.410 20 5 FEBDRM CN(C)C(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737352567 600186999 /nfs/dbraw/zinc/18/69/99/600186999.db2.gz RICNQXYNMYTPET-UHFFFAOYSA-N -1 0 357.322 2.247 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000740095675 600205355 /nfs/dbraw/zinc/20/53/55/600205355.db2.gz LKNQKGKNWMMPOT-UHFFFAOYSA-N -1 0 353.674 2.065 20 5 FEBDRM Cc1noc(C)c1[C@@H](C)Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000738941828 600282085 /nfs/dbraw/zinc/28/20/85/600282085.db2.gz WAEIMFRBUUKEGM-MRVPVSSYSA-N -1 0 362.342 2.187 20 5 FEBDRM O=C([O-])[C@@H]1CC12CCN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000593747148 600297917 /nfs/dbraw/zinc/29/79/17/600297917.db2.gz UCEVVEKCACSQOM-ZDUSSCGKSA-N -1 0 358.354 2.332 20 5 FEBDRM C[C@H](NC(=O)c1ccc(NC[C@@H](O)CC(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657924 600314090 /nfs/dbraw/zinc/31/40/90/600314090.db2.gz VIRWWXMEXUBSJQ-JQWIXIFHSA-N -1 0 367.402 2.007 20 5 FEBDRM COc1cccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738103677 600414636 /nfs/dbraw/zinc/41/46/36/600414636.db2.gz YFMSZTCOAPHXEP-UHFFFAOYSA-N -1 0 367.335 2.210 20 5 FEBDRM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736651583 600540565 /nfs/dbraw/zinc/54/05/65/600540565.db2.gz YIAPHHGAHCDWTR-QMMMGPOBSA-N -1 0 353.331 2.145 20 5 FEBDRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000736547888 600542079 /nfs/dbraw/zinc/54/20/79/600542079.db2.gz FWLAZERLDKTTRS-LLVKDONJSA-N -1 0 371.349 2.440 20 5 FEBDRM O=C([O-])c1cc(NC(=O)c2ccc(-n3ccnc3)nc2)cc([N+](=O)[O-])c1 ZINC000740090899 600543092 /nfs/dbraw/zinc/54/30/92/600543092.db2.gz ZCRGPADNOOXIQZ-UHFFFAOYSA-N -1 0 353.294 2.126 20 5 FEBDRM COc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1C(=O)[O-] ZINC000738069652 600579184 /nfs/dbraw/zinc/57/91/84/600579184.db2.gz PUJCRIMAZQCDRD-UHFFFAOYSA-N -1 0 371.298 2.208 20 5 FEBDRM O=C([O-])[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccc(O)cc1 ZINC000739406698 600579670 /nfs/dbraw/zinc/57/96/70/600579670.db2.gz DEARZFSGLXSHRL-SNVBAGLBSA-N -1 0 350.352 2.035 20 5 FEBDRM O=C([O-])Cc1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 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O=C([O-])c1ccc(/C=C\c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])[nH]1 ZINC000833311686 601331941 /nfs/dbraw/zinc/33/19/41/601331941.db2.gz AOCQLCBISGTXMA-XQRVVYSFSA-N -1 0 352.306 2.487 20 5 FEBDRM O=C([O-])CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000776668228 601402683 /nfs/dbraw/zinc/40/26/83/601402683.db2.gz PLBNUTMTVWFWPQ-UHFFFAOYSA-N -1 0 369.182 2.139 20 5 FEBDRM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000833235229 601514306 /nfs/dbraw/zinc/51/43/06/601514306.db2.gz XTIITZIFLCUIDA-UHFFFAOYSA-N -1 0 374.309 2.015 20 5 FEBDRM Cc1cc(NCc2cccnc2N2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572487088 601544375 /nfs/dbraw/zinc/54/43/75/601544375.db2.gz WDSRMCIRDASWGQ-UHFFFAOYSA-N -1 0 372.381 2.445 20 5 FEBDRM Cc1ccc(NCCCNC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832952354 601547637 /nfs/dbraw/zinc/54/76/37/601547637.db2.gz ZIXSIFAXSGIWBG-CHWSQXEVSA-N -1 0 364.402 2.067 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)cc(F)c1F ZINC000833305090 601573034 /nfs/dbraw/zinc/57/30/34/601573034.db2.gz XOOPKMKBDOSVRA-UHFFFAOYSA-N -1 0 372.305 2.050 20 5 FEBDRM O=C([O-])CCCc1nc(COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)no1 ZINC000833229791 601681482 /nfs/dbraw/zinc/68/14/82/601681482.db2.gz CCXQLTIHOGPYSR-UHFFFAOYSA-N -1 0 371.252 2.020 20 5 FEBDRM C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C(=O)[O-] ZINC000828340427 601691974 /nfs/dbraw/zinc/69/19/74/601691974.db2.gz HMGAIUQMBTZTFH-KWQFWETISA-N -1 0 371.187 2.079 20 5 FEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C(=O)[O-] ZINC000828401275 601699408 /nfs/dbraw/zinc/69/94/08/601699408.db2.gz FOKKSFYJIIGBGF-XVKPBYJWSA-N -1 0 357.160 2.150 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)NCC2(NC(=O)[O-])CCCCC2)c1 ZINC000739934218 601859275 /nfs/dbraw/zinc/85/92/75/601859275.db2.gz UXGZBCZMOVSECY-UHFFFAOYSA-N -1 0 351.359 2.304 20 5 FEBDRM O=C([O-])NC1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000740546439 601861178 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362.298 2.349 20 5 FEBDRM O=C([O-])NC[C@H]1CCCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740623048 602046651 /nfs/dbraw/zinc/04/66/51/602046651.db2.gz KPLSGJYVGJGQIR-CYBMUJFWSA-N -1 0 361.358 2.267 20 5 FEBDRM O=C([O-])[C@H](OC(=O)Cn1ccc([N+](=O)[O-])n1)c1cc(Cl)cc(Cl)c1 ZINC000833122541 602085277 /nfs/dbraw/zinc/08/52/77/602085277.db2.gz FMDBZQWYNSZTKC-GFCCVEGCSA-N -1 0 374.136 2.467 20 5 FEBDRM O=C([O-])NCCCOC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000740655238 602226048 /nfs/dbraw/zinc/22/60/48/602226048.db2.gz VRTKCBKNDBLYBP-UHFFFAOYSA-N -1 0 354.362 2.356 20 5 FEBDRM O=C([O-])N1CCC[C@H](OC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000740718993 602237588 /nfs/dbraw/zinc/23/75/88/602237588.db2.gz DUMNIWFRQJMDSQ-LBPRGKRZSA-N -1 0 360.326 2.080 20 5 FEBDRM O=C([O-])NCCOc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000740672183 602277025 /nfs/dbraw/zinc/27/70/25/602277025.db2.gz XJMJJZRTJINTSU-UHFFFAOYSA-N -1 0 359.338 2.422 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000832905010 602305479 /nfs/dbraw/zinc/30/54/79/602305479.db2.gz MOLUWALIWRFLLL-UHFFFAOYSA-N -1 0 371.396 2.191 20 5 FEBDRM COc1cc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000832098201 602316588 /nfs/dbraw/zinc/31/65/88/602316588.db2.gz YRVGFTXBMGCEND-UHFFFAOYSA-N -1 0 353.308 2.069 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000740630188 602374313 /nfs/dbraw/zinc/37/43/13/602374313.db2.gz HLFDLOSPAPAJBE-ZDUSSCGKSA-N -1 0 359.386 2.395 20 5 FEBDRM O=C([O-])N1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000740386332 602476177 /nfs/dbraw/zinc/47/61/77/602476177.db2.gz AJYOPDUDYAKCHE-ZDUSSCGKSA-N -1 0 365.389 2.023 20 5 FEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000740240168 602483106 /nfs/dbraw/zinc/48/31/06/602483106.db2.gz UTLCKQGOURTQDT-CQSZACIVSA-N -1 0 350.375 2.245 20 5 FEBDRM CCOc1ccc(C(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000737887245 602520628 /nfs/dbraw/zinc/52/06/28/602520628.db2.gz KRERCOZJWJYALX-UHFFFAOYSA-N -1 0 351.359 2.208 20 5 FEBDRM CN(C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739662308 602538841 /nfs/dbraw/zinc/53/88/41/602538841.db2.gz ZCIPHUSRVMOXDC-JTQLQIEISA-N -1 0 370.793 2.118 20 5 FEBDRM CN(C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739662270 602541344 /nfs/dbraw/zinc/54/13/44/602541344.db2.gz YRSFZOUAOZBHHC-SNVBAGLBSA-N -1 0 370.793 2.118 20 5 FEBDRM CCCN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000739347119 602551460 /nfs/dbraw/zinc/55/14/60/602551460.db2.gz CXIJHRTZSKIDEI-GFCCVEGCSA-N -1 0 371.415 2.056 20 5 FEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739045963 602586750 /nfs/dbraw/zinc/58/67/50/602586750.db2.gz KHWNKOWYSWBLFK-MWLCHTKSSA-N -1 0 371.777 2.274 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCCCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000558580554 674504697 /nfs/dbraw/zinc/50/46/97/674504697.db2.gz LJOJCWCXMJLCNO-LBPRGKRZSA-N -1 0 356.400 2.311 20 5 FEBDRM COc1ccc(OC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000739933650 602624972 /nfs/dbraw/zinc/62/49/72/602624972.db2.gz ZGMMBKUMIIVYMW-ZDUSSCGKSA-N -1 0 360.322 2.388 20 5 FEBDRM O=C([O-])N1CC[C@@H](OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000740386367 602686504 /nfs/dbraw/zinc/68/65/04/602686504.db2.gz BFMBFWNMHSQMQA-CYBMUJFWSA-N -1 0 366.373 2.450 20 5 FEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739050501 602714892 /nfs/dbraw/zinc/71/48/92/602714892.db2.gz DFJMKQGBURPALG-WDEREUQCSA-N -1 0 353.400 2.286 20 5 FEBDRM O=C([O-])NCc1cccc(OC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000740675537 602729490 /nfs/dbraw/zinc/72/94/90/602729490.db2.gz DUWCGWSWNBTCRH-UHFFFAOYSA-N -1 0 374.305 2.353 20 5 FEBDRM Cc1c(NC(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000740047421 602782448 /nfs/dbraw/zinc/78/24/48/602782448.db2.gz UGTCQSUMBMTWAN-WCFLWFBJSA-N -1 0 364.402 2.208 20 5 FEBDRM CC(C)NC(=O)c1ccc(N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000738858229 602817731 /nfs/dbraw/zinc/81/77/31/602817731.db2.gz CPQGBUZJPXVWCD-TXEJJXNPSA-N -1 0 364.402 2.310 20 5 FEBDRM C[C@H](NC(=O)N[C@H]1CCCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000738976094 602893546 /nfs/dbraw/zinc/89/35/46/602893546.db2.gz KTSKPSAGPVPIOQ-AAEUAGOBSA-N -1 0 350.375 2.488 20 5 FEBDRM COc1ccc(CC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000739896346 603027574 /nfs/dbraw/zinc/02/75/74/603027574.db2.gz VEQHGNJANVCOFU-CQSZACIVSA-N -1 0 373.365 2.271 20 5 FEBDRM Cc1c(CO)cc([N+](=O)[O-])c(NC2CCC(NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000740054140 603080757 /nfs/dbraw/zinc/08/07/57/603080757.db2.gz WZCLXPMHLBPNOQ-UHFFFAOYSA-N -1 0 368.346 2.294 20 5 FEBDRM Cc1c(C(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000740039651 603093051 /nfs/dbraw/zinc/09/30/51/603093051.db2.gz HHQUXIFBGCYYJC-MFKMUULPSA-N -1 0 351.359 2.136 20 5 FEBDRM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000738771359 603125918 /nfs/dbraw/zinc/12/59/18/603125918.db2.gz LFJUDGRWIDTLMS-HNNXBMFYSA-N -1 0 355.416 2.485 20 5 FEBDRM COc1ccc(S(=O)(=O)Oc2cccc(NC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000829510243 603133651 /nfs/dbraw/zinc/13/36/51/603133651.db2.gz FZKUDAJWRYYCOF-UHFFFAOYSA-N -1 0 368.323 2.461 20 5 FEBDRM O=C([O-])N1CCCC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000740717586 603145638 /nfs/dbraw/zinc/14/56/38/603145638.db2.gz ORHKVCOEUDMPKI-SNVBAGLBSA-N -1 0 366.326 2.055 20 5 FEBDRM O=C([O-])N1CC[C@H](COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000740720557 603169822 /nfs/dbraw/zinc/16/98/22/603169822.db2.gz JOFUPFHZWFCLKC-LBPRGKRZSA-N -1 0 363.370 2.352 20 5 FEBDRM COc1ccc(CNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739905313 603177214 /nfs/dbraw/zinc/17/72/14/603177214.db2.gz IPDALIABHTXWJX-NWDGAFQWSA-N -1 0 351.359 2.046 20 5 FEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CCN1C(=O)[O-] ZINC000826082972 603195800 /nfs/dbraw/zinc/19/58/00/603195800.db2.gz XHCBNDPLLRNYSX-GFCCVEGCSA-N -1 0 362.386 2.019 20 5 FEBDRM O=C([O-])N1CC[C@@H](C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000740726529 603252973 /nfs/dbraw/zinc/25/29/73/603252973.db2.gz YIAVBWVMAHLOTF-LLVKDONJSA-N -1 0 361.310 2.293 20 5 FEBDRM CCNc1ccc(C(=O)N[C@](C)(CNC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000739465764 603291846 /nfs/dbraw/zinc/29/18/46/603291846.db2.gz JNNKZAGLXLIFRQ-MRXNPFEDSA-N -1 0 352.391 2.439 20 5 FEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000740021821 603306107 /nfs/dbraw/zinc/30/61/07/603306107.db2.gz FFPAJZMZYGBGOD-SKDRFNHKSA-N -1 0 353.400 2.483 20 5 FEBDRM CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C(=O)[O-] ZINC000739626140 603332738 /nfs/dbraw/zinc/33/27/38/603332738.db2.gz DKBIKGUUAWCNCM-UHFFFAOYSA-N -1 0 357.322 2.374 20 5 FEBDRM C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739169568 603334613 /nfs/dbraw/zinc/33/46/13/603334613.db2.gz QPTMFAWEVFOHRS-GWCFXTLKSA-N -1 0 362.386 2.287 20 5 FEBDRM C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739132614 603349334 /nfs/dbraw/zinc/34/93/34/603349334.db2.gz UHOCGNQMWUPRJP-IUODEOHRSA-N -1 0 364.402 2.292 20 5 FEBDRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559031434 674524975 /nfs/dbraw/zinc/52/49/75/674524975.db2.gz CHORWGDBOZSZEU-NSHDSACASA-N -1 0 365.411 2.141 20 5 FEBDRM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000738629018 603364870 /nfs/dbraw/zinc/36/48/70/603364870.db2.gz GJNVYALHMWRPGM-UWVGGRQHSA-N -1 0 370.793 2.259 20 5 FEBDRM O=C([O-])N(CC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000831480824 603626300 /nfs/dbraw/zinc/62/63/00/603626300.db2.gz UGCNBVDCPDRQIE-GFCCVEGCSA-N -1 0 372.761 2.450 20 5 FEBDRM CC(C)(C)c1ccc(C(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1[N+](=O)[O-] ZINC000823858816 603628903 /nfs/dbraw/zinc/62/89/03/603628903.db2.gz CPONISPCMDOGGY-CQSZACIVSA-N -1 0 364.354 2.371 20 5 FEBDRM Cn1c(C(=O)OC[C@@]2(C(F)(F)F)CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830968952 603680147 /nfs/dbraw/zinc/68/01/47/603680147.db2.gz MYALJLKIGZTFFJ-GFCCVEGCSA-N -1 0 365.264 2.023 20 5 FEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@]1(C(F)(F)F)CCN(C(=O)[O-])C1 ZINC000831018736 603680228 /nfs/dbraw/zinc/68/02/28/603680228.db2.gz OZZXXTJCDSNSMV-LBPRGKRZSA-N -1 0 365.264 2.023 20 5 FEBDRM CC[C@H](NC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000826608572 603681773 /nfs/dbraw/zinc/68/17/73/603681773.db2.gz YYMSXUYRXJKKKE-KGLIPLIRSA-N -1 0 350.375 2.440 20 5 FEBDRM Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCN2C(=O)[O-])cc1[N+](=O)[O-] ZINC000830257142 603696794 /nfs/dbraw/zinc/69/67/94/603696794.db2.gz SCGZLZMCTSZWOD-DGCLKSJQSA-N -1 0 350.375 2.406 20 5 FEBDRM Cc1ccc([C@@H](C)NC(=O)N2CCN(C(=O)[O-])C[C@H]2C)cc1[N+](=O)[O-] ZINC000830256332 603701941 /nfs/dbraw/zinc/70/19/41/603701941.db2.gz IDCPOPKECSADPJ-VXGBXAGGSA-N -1 0 350.375 2.358 20 5 FEBDRM O=C([O-])N[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000832135907 603703440 /nfs/dbraw/zinc/70/34/40/603703440.db2.gz PIXPYSODMZOXFE-OAHLLOKOSA-N -1 0 358.354 2.403 20 5 FEBDRM O=C([O-])N[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000832366109 603705928 /nfs/dbraw/zinc/70/59/28/603705928.db2.gz QGWDLMKCEFDHPJ-SNVBAGLBSA-N -1 0 356.766 2.190 20 5 FEBDRM C[C@@H](OC(=O)C1(NC(=O)[O-])CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000825550764 603807281 /nfs/dbraw/zinc/80/72/81/603807281.db2.gz CIJFTAAOGNUQES-SNVBAGLBSA-N -1 0 365.342 2.045 20 5 FEBDRM CC(C)(NC(=O)NC1CCN(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000824020693 603839778 /nfs/dbraw/zinc/83/97/78/603839778.db2.gz VMWPZUATKZSIDE-UHFFFAOYSA-N -1 0 350.375 2.272 20 5 FEBDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826125932 603946017 /nfs/dbraw/zinc/94/60/17/603946017.db2.gz KVEJOXFFBQCHGW-KCJUWKMLSA-N -1 0 371.777 2.481 20 5 FEBDRM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823722578 603976058 /nfs/dbraw/zinc/97/60/58/603976058.db2.gz GPEPKBPMPGFFJH-LNSITVRQSA-N -1 0 362.386 2.139 20 5 FEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000824347177 603984883 /nfs/dbraw/zinc/98/48/83/603984883.db2.gz VUSDFAFNMRILAF-INIZCTEOSA-N -1 0 353.350 2.424 20 5 FEBDRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)CSc1ccccc1[N+](=O)[O-])CC2 ZINC000831552683 604024252 /nfs/dbraw/zinc/02/42/52/604024252.db2.gz LTECFQOLURQVNV-NEPJUHHUSA-N -1 0 365.411 2.430 20 5 FEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000825228163 604125586 /nfs/dbraw/zinc/12/55/86/604125586.db2.gz INASIDJRGDJXLB-OCCSQVGLSA-N -1 0 364.402 2.215 20 5 FEBDRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000824960952 604201645 /nfs/dbraw/zinc/20/16/45/604201645.db2.gz XBEXYZODQXITOK-QMMMGPOBSA-N -1 0 374.191 2.014 20 5 FEBDRM CCOC(=O)c1ccnc(N(C)C2CCC(NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000827349963 604218236 /nfs/dbraw/zinc/21/82/36/604218236.db2.gz OUBHGDBSHYCVMZ-UHFFFAOYSA-N -1 0 366.374 2.182 20 5 FEBDRM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000827872140 604251725 /nfs/dbraw/zinc/25/17/25/604251725.db2.gz WNUKLEDLYKGPDM-SECBINFHSA-N -1 0 372.175 2.182 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@](O)(C(F)(F)F)C2)cc1Cl ZINC000833306935 604270008 /nfs/dbraw/zinc/27/00/08/604270008.db2.gz HASHBQJETXPTHG-LLVKDONJSA-N -1 0 354.668 2.450 20 5 FEBDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000832298998 604386607 /nfs/dbraw/zinc/38/66/07/604386607.db2.gz WMUGBTBCRAGHQO-UMSGYPCISA-N -1 0 366.374 2.255 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2(C(=O)[O-])CCCC2)c1C ZINC000832958232 604417245 /nfs/dbraw/zinc/41/72/45/604417245.db2.gz QNWRSHVORBRSPU-UHFFFAOYSA-N -1 0 356.400 2.230 20 5 FEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000827007349 604438486 /nfs/dbraw/zinc/43/84/86/604438486.db2.gz YZFKLBSEKCPORS-GFCCVEGCSA-N -1 0 356.400 2.024 20 5 FEBDRM C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000165190407 604441594 /nfs/dbraw/zinc/44/15/94/604441594.db2.gz FAAGDHYWWMIOSF-WRWORJQWSA-N -1 0 357.160 2.150 20 5 FEBDRM C[C@@H](NC(=O)[O-])[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000825371700 604451516 /nfs/dbraw/zinc/45/15/16/604451516.db2.gz ICUXVSZFYPADLC-PRHODGIISA-N -1 0 374.191 2.219 20 5 FEBDRM CS[C@H]1CCCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000832748260 604464421 /nfs/dbraw/zinc/46/44/21/604464421.db2.gz ZDGHQNIUBOKYKQ-LBPRGKRZSA-N -1 0 367.427 2.131 20 5 FEBDRM C[C@H]1CN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1O ZINC000833635759 604546739 /nfs/dbraw/zinc/54/67/39/604546739.db2.gz XVGJRKDNHPVFGL-GTNSWQLSSA-N -1 0 370.361 2.341 20 5 FEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000833400669 604696439 /nfs/dbraw/zinc/69/64/39/604696439.db2.gz KLIOMUQJXICZAV-UHFFFAOYSA-N -1 0 371.348 2.325 20 5 FEBDRM COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](CNC(=O)[O-])C2)cc1Cl ZINC000828760921 604882917 /nfs/dbraw/zinc/88/29/17/604882917.db2.gz LFHCEASLWOBLME-QMMMGPOBSA-N -1 0 357.750 2.129 20 5 FEBDRM Cc1cccc(C[C@@H](CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C(=O)[O-])c1 ZINC000832969715 604892953 /nfs/dbraw/zinc/89/29/53/604892953.db2.gz OCFRFFHHPPLKQX-ZDUSSCGKSA-N -1 0 374.397 2.423 20 5 FEBDRM O=C([O-])CCc1csc(NC(=O)NCc2ccccc2[N+](=O)[O-])n1 ZINC000833240046 604976539 /nfs/dbraw/zinc/97/65/39/604976539.db2.gz BKOMRCNTVIEWKR-UHFFFAOYSA-N -1 0 350.356 2.390 20 5 FEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])[C@@H](C)CO1 ZINC000833622173 605002195 /nfs/dbraw/zinc/00/21/95/605002195.db2.gz MPMYIDCYUFISCB-WDEREUQCSA-N -1 0 368.411 2.411 20 5 FEBDRM CC(=O)c1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000833401348 605003400 /nfs/dbraw/zinc/00/34/00/605003400.db2.gz IUVPMLSXOVHMTQ-UHFFFAOYSA-N -1 0 365.319 2.263 20 5 FEBDRM C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CCCO1 ZINC000833563948 605006959 /nfs/dbraw/zinc/00/69/59/605006959.db2.gz QLXFMBXDSKBNQH-INIZCTEOSA-N -1 0 368.411 2.461 20 5 FEBDRM C[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000833523393 605018971 /nfs/dbraw/zinc/01/89/71/605018971.db2.gz NYYVHXDGEFWTQN-SNVBAGLBSA-N -1 0 350.352 2.333 20 5 FEBDRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000833528804 605035568 /nfs/dbraw/zinc/03/55/68/605035568.db2.gz KYDUGMXBZYPKPF-SECBINFHSA-N -1 0 370.333 2.495 20 5 FEBDRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000833525559 605073109 /nfs/dbraw/zinc/07/31/09/605073109.db2.gz ANRXNMCTSTUBOL-UNXYVOJBSA-N -1 0 364.354 2.356 20 5 FEBDRM COC(=O)c1cc(NC(=O)Cc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833715147 605250999 /nfs/dbraw/zinc/25/09/99/605250999.db2.gz PNQVVCVYSRFEAR-UHFFFAOYSA-N -1 0 358.306 2.261 20 5 FEBDRM O=C([O-])N1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000831599372 605271187 /nfs/dbraw/zinc/27/11/87/605271187.db2.gz SKMULWYAZHHGIM-UHFFFAOYSA-N -1 0 372.175 2.230 20 5 FEBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000833745058 605293821 /nfs/dbraw/zinc/29/38/21/605293821.db2.gz PMJSSHWLGMFYHQ-UHFFFAOYSA-N -1 0 369.326 2.437 20 5 FEBDRM COc1ccc(Cc2nc(C[C@@H](C)N(C)C(=O)[O-])no2)cc1[N+](=O)[O-] ZINC000829396242 605299326 /nfs/dbraw/zinc/29/93/26/605299326.db2.gz DXDHOEQXBSHMRU-SECBINFHSA-N -1 0 350.331 2.118 20 5 FEBDRM CC[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000833846288 605310445 /nfs/dbraw/zinc/31/04/45/605310445.db2.gz GQJBTDSNBWVRNP-YPMHNXCESA-N -1 0 350.375 2.173 20 5 FEBDRM O=C([O-])N1CCC[C@H](OCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000831523334 605343470 /nfs/dbraw/zinc/34/34/70/605343470.db2.gz JCCOYJWFHGHSHS-LBPRGKRZSA-N -1 0 372.761 2.450 20 5 FEBDRM C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccccc2C(=O)[O-])C1=O 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ZINC000436502870 559943382 /nfs/dbraw/zinc/94/33/82/559943382.db2.gz DWEIWOVIOYWTQF-UHFFFAOYSA-N -1 0 356.294 2.216 20 5 FEBDRM NC(=O)c1cc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])n2)c[nH]1 ZINC000436663963 559948266 /nfs/dbraw/zinc/94/82/66/559948266.db2.gz JRJOPDCPUUPQMO-UHFFFAOYSA-N -1 0 373.350 2.103 20 5 FEBDRM O=C(NCCc1cc(F)cc2c1OCOC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436673942 559948390 /nfs/dbraw/zinc/94/83/90/559948390.db2.gz SYSYXXAAKDOYOR-UHFFFAOYSA-N -1 0 362.313 2.279 20 5 FEBDRM COc1cccc(C(F)(F)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000436680498 559948708 /nfs/dbraw/zinc/94/87/08/559948708.db2.gz JZELKCJTBYQDFA-UHFFFAOYSA-N -1 0 353.281 2.226 20 5 FEBDRM O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436686459 559948779 /nfs/dbraw/zinc/94/87/79/559948779.db2.gz HKNCUMGAJBIEJW-AWEZNQCLSA-N -1 0 370.365 2.337 20 5 FEBDRM Cn1c2ccccc2cc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1=O ZINC000436699511 559949285 /nfs/dbraw/zinc/94/92/85/559949285.db2.gz 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CCOc1cccc(N2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)n1 ZINC000436958509 559957464 /nfs/dbraw/zinc/95/74/64/559957464.db2.gz HVNHXNNAVPSRCU-UHFFFAOYSA-N -1 0 372.381 2.057 20 5 FEBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OCC(=O)N(C)C)c1 ZINC000436962335 559957602 /nfs/dbraw/zinc/95/76/02/559957602.db2.gz DWBCRDCPJOTEBW-UHFFFAOYSA-N -1 0 373.365 2.328 20 5 FEBDRM O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436965900 559957662 /nfs/dbraw/zinc/95/76/62/559957662.db2.gz OXDSQPSOSYXAMI-UHFFFAOYSA-N -1 0 361.398 2.211 20 5 FEBDRM CC(C)(C)C(=O)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000436979896 559958209 /nfs/dbraw/zinc/95/82/09/559958209.db2.gz NOHCHEHTGQGTOG-UHFFFAOYSA-N -1 0 363.414 2.410 20 5 FEBDRM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436985332 559958609 /nfs/dbraw/zinc/95/86/09/559958609.db2.gz CLWZFQWWAZCHJU-UHFFFAOYSA-N -1 0 359.338 2.263 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)ccc1[O-] ZINC000438823624 559984131 /nfs/dbraw/zinc/98/41/31/559984131.db2.gz ZJINJTXENJNQAG-UHFFFAOYSA-N -1 0 360.351 2.491 20 5 FEBDRM Cc1nc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000439883065 560001340 /nfs/dbraw/zinc/00/13/40/560001340.db2.gz RUUYBRHEZBXDMT-UHFFFAOYSA-N -1 0 373.394 2.015 20 5 FEBDRM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000442223803 560046416 /nfs/dbraw/zinc/04/64/16/560046416.db2.gz ZSZOUWDHYSJIOJ-UHFFFAOYSA-N -1 0 370.408 2.108 20 5 FEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000442239161 560046623 /nfs/dbraw/zinc/04/66/23/560046623.db2.gz FBMUZZNXLNASPE-UHFFFAOYSA-N -1 0 366.351 2.191 20 5 FEBDRM O=C(NCc1ccncc1OCC(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000442977397 560064693 /nfs/dbraw/zinc/06/46/93/560064693.db2.gz ZXUNPWJOQXLLBB-UHFFFAOYSA-N -1 0 353.281 2.269 20 5 FEBDRM O=C(NCc1ccncc1OCC(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000442974341 560064785 /nfs/dbraw/zinc/06/47/85/560064785.db2.gz 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C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2nccn21 ZINC000451949088 560340212 /nfs/dbraw/zinc/34/02/12/560340212.db2.gz WMCQBCVCTBBSDU-SCZZXKLOSA-N -1 0 356.791 2.429 20 5 FEBDRM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccncc1[N+](=O)[O-] ZINC000461106555 560761599 /nfs/dbraw/zinc/76/15/99/560761599.db2.gz GZTCOMPFFNJSQC-UHFFFAOYSA-N -1 0 372.200 2.283 20 5 FEBDRM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000461872521 560785726 /nfs/dbraw/zinc/78/57/26/560785726.db2.gz UIGLUFCMQBXOAV-JOCHJYFZSA-N -1 0 358.372 2.272 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000463432875 560813998 /nfs/dbraw/zinc/81/39/98/560813998.db2.gz IMTRAYCNZSZNTD-UHFFFAOYSA-N -1 0 354.340 2.392 20 5 FEBDRM CN(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccn1 ZINC000464420531 560841301 /nfs/dbraw/zinc/84/13/01/560841301.db2.gz HXGXHSYHFIKWRL-UHFFFAOYSA-N -1 0 373.394 2.405 20 5 FEBDRM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1C ZINC000466963197 560900462 /nfs/dbraw/zinc/90/04/62/560900462.db2.gz BLTLDSXPRPNIOZ-UHFFFAOYSA-N -1 0 373.412 2.281 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000469052633 560945884 /nfs/dbraw/zinc/94/58/84/560945884.db2.gz SREJIPJJEQLWAZ-HSZRJFAPSA-N -1 0 370.408 2.142 20 5 FEBDRM O=C(NCCc1ccccc1[N+](=O)[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000470599360 560985523 /nfs/dbraw/zinc/98/55/23/560985523.db2.gz FBAQUYCWZFJTGQ-UHFFFAOYSA-N -1 0 352.350 2.459 20 5 FEBDRM Cc1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000471110638 560998514 /nfs/dbraw/zinc/99/85/14/560998514.db2.gz TXBMGQUOJBWHJY-UHFFFAOYSA-N -1 0 362.363 2.353 20 5 FEBDRM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)cc2o1 ZINC000475817322 561106136 /nfs/dbraw/zinc/10/61/36/561106136.db2.gz NEXYCLZSBIRZHI-UHFFFAOYSA-N -1 0 353.287 2.382 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CC2CCC2)C(=O)[O-])c1C ZINC000530473474 562412570 /nfs/dbraw/zinc/41/25/70/562412570.db2.gz FDTUJGCQOKXPPX-CYBMUJFWSA-N -1 0 356.400 2.133 20 5 FEBDRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000532003203 562463728 /nfs/dbraw/zinc/46/37/28/562463728.db2.gz MTINPJLGSNTPNY-MRXNPFEDSA-N -1 0 374.349 2.314 20 5 FEBDRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000534499535 562535154 /nfs/dbraw/zinc/53/51/54/562535154.db2.gz DCQMGIKELNRHGY-UHFFFAOYSA-N -1 0 354.388 2.319 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000535176431 562552576 /nfs/dbraw/zinc/55/25/76/562552576.db2.gz UKEPOSJEGPOLTR-UHFFFAOYSA-N -1 0 357.351 2.191 20 5 FEBDRM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000536415323 562574983 /nfs/dbraw/zinc/57/49/83/562574983.db2.gz XBAAUQTVGOUYHL-QMMMGPOBSA-N -1 0 371.198 2.132 20 5 FEBDRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1C ZINC000537195066 562587547 /nfs/dbraw/zinc/58/75/47/562587547.db2.gz YYZQEFYHABFJHE-SECBINFHSA-N -1 0 356.408 2.088 20 5 FEBDRM COc1ccccc1C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000537366344 562590023 /nfs/dbraw/zinc/59/00/23/562590023.db2.gz OLMBPHAGAKVHSV-AWEZNQCLSA-N -1 0 358.350 2.277 20 5 FEBDRM COc1ccc(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000537402880 562590468 /nfs/dbraw/zinc/59/04/68/562590468.db2.gz HYAQSYPLGLLGSC-SFHVURJKSA-N -1 0 370.361 2.357 20 5 FEBDRM COc1ccccc1C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000540666143 562590805 /nfs/dbraw/zinc/59/08/05/562590805.db2.gz GAKISCYBQPBHDL-ZDUSSCGKSA-N -1 0 358.350 2.277 20 5 FEBDRM Cn1nccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541072736 562602214 /nfs/dbraw/zinc/60/22/14/562602214.db2.gz RBTMPTOPMFVNGM-UHFFFAOYSA-N -1 0 350.278 2.148 20 5 FEBDRM CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000541928522 562623625 /nfs/dbraw/zinc/62/36/25/562623625.db2.gz WJLZPQHOMLNDQC-ZDUSSCGKSA-N -1 0 358.416 2.246 20 5 FEBDRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000568348089 568024217 /nfs/dbraw/zinc/02/42/17/568024217.db2.gz SPVOWGDRBFTBLC-UHFFFAOYSA-N -1 0 365.292 2.385 20 5 FEBDRM CS[C@H]1CCCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000568980471 568258964 /nfs/dbraw/zinc/25/89/64/568258964.db2.gz YFTQZBSEBRAXFN-NSHDSACASA-N -1 0 374.440 2.199 20 5 FEBDRM CCC(CC)N(CCOC)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569367432 568396630 /nfs/dbraw/zinc/39/66/30/568396630.db2.gz BQFSXFKCNMULIO-UHFFFAOYSA-N -1 0 374.415 2.119 20 5 FEBDRM COc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000569644632 568410194 /nfs/dbraw/zinc/41/01/94/568410194.db2.gz GINLNFGQZBWRCJ-SFHVURJKSA-N -1 0 358.350 2.376 20 5 FEBDRM CCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000569976889 568445596 /nfs/dbraw/zinc/44/55/96/568445596.db2.gz BDZRQFMMPKQHCX-JQWIXIFHSA-N -1 0 356.400 2.031 20 5 FEBDRM COc1ccc(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2occ([O-])c21 ZINC000570367096 568480861 /nfs/dbraw/zinc/48/08/61/568480861.db2.gz MKDVSRRFHULQIC-UHFFFAOYSA-N -1 0 373.317 2.449 20 5 FEBDRM CCOC(=O)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000570928136 568708413 /nfs/dbraw/zinc/70/84/13/568708413.db2.gz RUUSPKOWJVOBET-IINYFYTJSA-N -1 0 364.354 2.097 20 5 FEBDRM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736702873 599039259 /nfs/dbraw/zinc/03/92/59/599039259.db2.gz XSJKJPSWQGRRAL-UHFFFAOYSA-N -1 0 374.382 2.138 20 5 FEBDRM COc1ccc(C=Cc2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1-c1nn[nH]n1 ZINC000737082556 599153710 /nfs/dbraw/zinc/15/37/10/599153710.db2.gz XGOLQPOUUHJBHR-DUXPYHPUSA-N -1 0 368.309 2.047 20 5 FEBDRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000610891842 597090654 /nfs/dbraw/zinc/09/06/54/597090654.db2.gz DQBFPLLYGKDQSC-SNVBAGLBSA-N -1 0 359.338 2.176 20 5 FEBDRM COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C(=O)[O-])cc1 ZINC000557999826 599763479 /nfs/dbraw/zinc/76/34/79/599763479.db2.gz CCKXMGQJYVDJPV-HNNXBMFYSA-N -1 0 360.322 2.168 20 5 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ZINC000542860095 673611280 /nfs/dbraw/zinc/61/12/80/673611280.db2.gz SAAFRSAEBMSLSI-JTQLQIEISA-N -1 0 364.445 2.475 20 5 FEBDRM Cc1nn2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cnc2c1Cl ZINC000542930925 673615921 /nfs/dbraw/zinc/61/59/21/673615921.db2.gz YQRSDOLBMXUGNM-UHFFFAOYSA-N -1 0 367.774 2.400 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000599289286 673654064 /nfs/dbraw/zinc/65/40/64/673654064.db2.gz WZBPJZWIILJGKU-KBPBESRZSA-N -1 0 364.427 2.018 20 5 FEBDRM CC(C)[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000599289948 673654198 /nfs/dbraw/zinc/65/41/98/673654198.db2.gz YGHDADMXUYERDO-CQSZACIVSA-N -1 0 366.443 2.122 20 5 FEBDRM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599396646 673669479 /nfs/dbraw/zinc/66/94/79/673669479.db2.gz WFCVKUYUWVZFJV-CYBMUJFWSA-N -1 0 352.416 2.018 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000544926156 673739855 /nfs/dbraw/zinc/73/98/55/673739855.db2.gz NEZYOEADXADWAX-VXGBXAGGSA-N -1 0 368.411 2.412 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(F)c1 ZINC000744132814 673783192 /nfs/dbraw/zinc/78/31/92/673783192.db2.gz RTSHPXFLAMOLHT-QMMMGPOBSA-N -1 0 358.372 2.404 20 5 FEBDRM Cc1c([N-]S(=O)(=O)c2cc(C(F)(F)F)nn2C)cccc1[N+](=O)[O-] ZINC000600636123 673784464 /nfs/dbraw/zinc/78/44/64/673784464.db2.gz NDVWVCJAJAGCTA-UHFFFAOYSA-N -1 0 364.305 2.456 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3c(c2)CCCCC3)n1 ZINC000600655065 673786511 /nfs/dbraw/zinc/78/65/11/673786511.db2.gz GTZVVCAMGGDPLF-UHFFFAOYSA-N -1 0 350.400 2.398 20 5 FEBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cnc1OC ZINC000600659864 673787475 /nfs/dbraw/zinc/78/74/75/673787475.db2.gz NBKUXWPABOMIIL-UHFFFAOYSA-N -1 0 359.385 2.178 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600665214 673788945 /nfs/dbraw/zinc/78/89/45/673788945.db2.gz PCVUWCIQTDPVAF-MXWKQRLJSA-N -1 0 354.384 2.008 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000600665037 673788957 /nfs/dbraw/zinc/78/89/57/673788957.db2.gz GSKTWOGJHRCWMM-RDBSUJKOSA-N -1 0 368.411 2.167 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000600666276 673789223 /nfs/dbraw/zinc/78/92/23/673789223.db2.gz OYCLGPYLCLPKRL-CULMDFNYSA-N -1 0 368.411 2.316 20 5 FEBDRM CC1(C)CCC[C@@](NS(=O)(=O)c2ccccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC000600665466 673789263 /nfs/dbraw/zinc/78/92/63/673789263.db2.gz SGNKGXDORCZDLU-HNNXBMFYSA-N -1 0 356.400 2.297 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)c1 ZINC000744295380 673791523 /nfs/dbraw/zinc/79/15/23/673791523.db2.gz MORMSFFYKCBXMG-UHFFFAOYSA-N -1 0 364.379 2.042 20 5 FEBDRM O=C([N-]S(=O)(=O)CCSc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000744300262 673791768 /nfs/dbraw/zinc/79/17/68/673791768.db2.gz VVKJWOJYDHYLDI-UHFFFAOYSA-N -1 0 366.420 2.447 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2cccc(Cl)c2)c1 ZINC000546261109 673798671 /nfs/dbraw/zinc/79/86/71/673798671.db2.gz SRAJSVYFUSVOIL-UHFFFAOYSA-N -1 0 370.770 2.425 20 5 FEBDRM CO[C@@H]1CN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@](C)(C(=O)[O-])C1 ZINC000600876097 673804997 /nfs/dbraw/zinc/80/49/97/673804997.db2.gz VSZKGQZRAJIYGZ-KNHMANMVSA-N -1 0 368.411 2.166 20 5 FEBDRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880517 673805683 /nfs/dbraw/zinc/80/56/83/673805683.db2.gz JUNJGOAGPKNIMD-XNJGSVPQSA-N -1 0 350.371 2.214 20 5 FEBDRM CCCc1nc(=NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])s[n-]1 ZINC000546673195 673810751 /nfs/dbraw/zinc/81/07/51/673810751.db2.gz PSRXMBMOGRNIHC-UHFFFAOYSA-N -1 0 366.399 2.480 20 5 FEBDRM O=C([O-])[C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000547915811 673904117 /nfs/dbraw/zinc/90/41/17/673904117.db2.gz CEONHEIQYRQBOK-YMTOWFKASA-N -1 0 374.802 2.124 20 5 FEBDRM CCc1ccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000548201182 673933596 /nfs/dbraw/zinc/93/35/96/673933596.db2.gz GNVWNZZNSKSQEB-HNNXBMFYSA-N -1 0 364.379 2.261 20 5 FEBDRM Cc1ccc([C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000548207988 673934790 /nfs/dbraw/zinc/93/47/90/673934790.db2.gz RAZWHYCZZXGGTL-OAHLLOKOSA-N -1 0 364.379 2.149 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000548262577 673944424 /nfs/dbraw/zinc/94/44/24/673944424.db2.gz OFKWMVJPAHWKIT-ZWNOBZJWSA-N -1 0 358.416 2.461 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-] ZINC000548264278 673945066 /nfs/dbraw/zinc/94/50/66/673945066.db2.gz JMVWCFYACDPPDH-ZYHUDNBSSA-N -1 0 374.415 2.161 20 5 FEBDRM Cc1ccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000548526997 673965756 /nfs/dbraw/zinc/96/57/56/673965756.db2.gz WYCZIJFXWATYDM-OAHLLOKOSA-N -1 0 364.379 2.316 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000548546505 673969442 /nfs/dbraw/zinc/96/94/42/673969442.db2.gz NBYJRMFRAKQECQ-AWEZNQCLSA-N -1 0 368.342 2.147 20 5 FEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000548579347 673975700 /nfs/dbraw/zinc/97/57/00/673975700.db2.gz QPFWGNIAKFOPDX-NOZJJQNGSA-N -1 0 358.416 2.331 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000548682809 673986617 /nfs/dbraw/zinc/98/66/17/673986617.db2.gz PNTSYDFDOPZJHY-LNSITVRQSA-N -1 0 368.411 2.031 20 5 FEBDRM Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000818619063 675228753 /nfs/dbraw/zinc/22/87/53/675228753.db2.gz VTIACVSQDJRTFB-SNVBAGLBSA-N -1 0 355.347 2.463 20 5 FEBDRM O=C([O-])CCSc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000566730240 675238161 /nfs/dbraw/zinc/23/81/61/675238161.db2.gz WFAIDJNTFFLQCV-UHFFFAOYSA-N -1 0 374.440 2.336 20 5 FEBDRM CS[C@@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000567798211 675324280 /nfs/dbraw/zinc/32/42/80/675324280.db2.gz KPGIJWNVNPYHPD-GXSJLCMTSA-N -1 0 374.440 2.246 20 5 FEBDRM Cc1cc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567978617 675340400 /nfs/dbraw/zinc/34/04/00/675340400.db2.gz MJIFCBGVDOBDRV-BETUJISGSA-N -1 0 351.403 2.147 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC1CCCC1 ZINC000821603133 675442823 /nfs/dbraw/zinc/44/28/23/675442823.db2.gz LIQBQMKGVBGFEC-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)ccc1[O-] ZINC000604036716 675803327 /nfs/dbraw/zinc/80/33/27/675803327.db2.gz QAOUWQRQQWESBW-UHFFFAOYSA-N -1 0 366.370 2.450 20 5 FEBDRM CC(C)(CCC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000829468888 675880104 /nfs/dbraw/zinc/88/01/04/675880104.db2.gz SUONGPBWLLWXQL-GFCCVEGCSA-N -1 0 370.772 2.033 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(C)[nH]nc1C(F)F ZINC000619467883 676378253 /nfs/dbraw/zinc/37/82/53/676378253.db2.gz KPICOUSESOWJRA-UHFFFAOYSA-N -1 0 362.314 2.373 20 5 FEBDRM Cc1sc(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000830832386 677063824 /nfs/dbraw/zinc/06/38/24/677063824.db2.gz DYMFLGKWMVQOEE-GFCCVEGCSA-N -1 0 365.333 2.248 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc2sccc2c1 ZINC000761252871 680717007 /nfs/dbraw/zinc/71/70/07/680717007.db2.gz RHPQQUCSBWYYQM-UHFFFAOYSA-N -1 0 363.376 2.323 20 5 FEBDRM CC[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000838818456 680720982 /nfs/dbraw/zinc/72/09/82/680720982.db2.gz WTWKUGWJEPNVPK-ZETCQYMHSA-N -1 0 354.306 2.220 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C12CCC(CC1)C2 ZINC000838934880 680728117 /nfs/dbraw/zinc/72/81/17/680728117.db2.gz BGQHEJQLCDNURE-UHFFFAOYSA-N -1 0 367.427 2.412 20 5 FEBDRM CC(C)c1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000762063633 680739584 /nfs/dbraw/zinc/73/95/84/680739584.db2.gz GTYBCRFYXDHUQT-UHFFFAOYSA-N -1 0 363.395 2.373 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCC(F)F ZINC000839061532 680734939 /nfs/dbraw/zinc/73/49/39/680734939.db2.gz JBOOPVPYXVTRPZ-UHFFFAOYSA-N -1 0 365.358 2.267 20 5 FEBDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)cc12 ZINC000762438245 680750056 /nfs/dbraw/zinc/75/00/56/680750056.db2.gz KQVWMFOKLPSYRD-UHFFFAOYSA-N -1 0 363.355 2.076 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000763929347 680795847 /nfs/dbraw/zinc/79/58/47/680795847.db2.gz YZUANFBVWJONBD-SECBINFHSA-N -1 0 370.333 2.482 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c([N+](=O)[O-])c1 ZINC000749011252 680014913 /nfs/dbraw/zinc/01/49/13/680014913.db2.gz RPZJLNKXHFAFFZ-UHFFFAOYSA-N -1 0 363.311 2.180 20 5 FEBDRM O=C(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)OCc1ccc(Cl)cc1 ZINC000753350746 680288900 /nfs/dbraw/zinc/28/89/00/680288900.db2.gz OASLOSIKFNRGCY-UHFFFAOYSA-N -1 0 364.741 2.427 20 5 FEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000835115919 680297272 /nfs/dbraw/zinc/29/72/72/680297272.db2.gz DIEXFCQRDAGPGC-UHFFFAOYSA-N -1 0 371.371 2.134 20 5 FEBDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835334530 680320683 /nfs/dbraw/zinc/32/06/83/680320683.db2.gz KMGBMLIXYCHUBA-UHFFFAOYSA-N -1 0 357.432 2.018 20 5 FEBDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])c(C)c1 ZINC000835346669 680321933 /nfs/dbraw/zinc/32/19/33/680321933.db2.gz ZBVAGFCCFOYKCM-UHFFFAOYSA-N -1 0 358.416 2.034 20 5 FEBDRM Cc1c(NC(=O)C(=O)[N-]OC2CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000835631648 680361895 /nfs/dbraw/zinc/36/18/95/680361895.db2.gz GHCIFHXAADZZRB-UHFFFAOYSA-N -1 0 372.175 2.205 20 5 FEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000755706995 680430105 /nfs/dbraw/zinc/43/01/05/680430105.db2.gz JUYKYQYJLSDGPU-VURMDHGXSA-N -1 0 352.290 2.006 20 5 FEBDRM C/C(=C\C(=O)[N-]S(=O)(=O)c1cnc(C)s1)c1ccc([N+](=O)[O-])cc1 ZINC000755876261 680441996 /nfs/dbraw/zinc/44/19/96/680441996.db2.gz HCXSPVMCLNWLJD-VQHVLOKHSA-N -1 0 367.408 2.268 20 5 FEBDRM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000756134811 680462518 /nfs/dbraw/zinc/46/25/18/680462518.db2.gz QMNTZIYMKRDFSB-JTQLQIEISA-N -1 0 353.375 2.334 20 5 FEBDRM CCCC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837286120 680580299 /nfs/dbraw/zinc/58/02/99/680580299.db2.gz GMRLUGGVAISIQR-VIFPVBQESA-N -1 0 368.770 2.309 20 5 FEBDRM CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837287256 680580498 /nfs/dbraw/zinc/58/04/98/680580498.db2.gz WCGHIGJZGDKPCA-KGFZYKRKSA-N -1 0 368.770 2.165 20 5 FEBDRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837290204 680582004 /nfs/dbraw/zinc/58/20/04/680582004.db2.gz RFWLPSVIXPAAGK-ZETCQYMHSA-N -1 0 368.770 2.260 20 5 FEBDRM C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1CCC(=O)[O-] ZINC000837294558 680583230 /nfs/dbraw/zinc/58/32/30/680583230.db2.gz LSEGXZUXJLHQMP-ZJUUUORDSA-N -1 0 362.429 2.168 20 5 FEBDRM C[C@H](CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-])NC(=O)C1CCCC1 ZINC000837499112 680611584 /nfs/dbraw/zinc/61/15/84/680611584.db2.gz ZUSFPYCTILGAGI-LLVKDONJSA-N -1 0 350.371 2.429 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(OC)n1 ZINC000760343355 680683512 /nfs/dbraw/zinc/68/35/12/680683512.db2.gz RYDKLZJHLOMLSW-UHFFFAOYSA-N -1 0 371.346 2.255 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000766329386 680874072 /nfs/dbraw/zinc/87/40/72/680874072.db2.gz UNSYWTPUKVKQMK-ZDUSSCGKSA-N -1 0 374.390 2.306 20 5 FEBDRM COc1ccc(CSCC(=O)[N-]OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000766768601 680887650 /nfs/dbraw/zinc/88/76/50/680887650.db2.gz PFJFDNIZSAGQFW-UHFFFAOYSA-N -1 0 354.306 2.447 20 5 FEBDRM CC(C)N(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000841780808 680911905 /nfs/dbraw/zinc/91/19/05/680911905.db2.gz IDKOMWNTHUNTDC-UHFFFAOYSA-N -1 0 371.198 2.385 20 5 FEBDRM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000767894377 680931498 /nfs/dbraw/zinc/93/14/98/680931498.db2.gz AZDAZJALEHHBPU-SECBINFHSA-N -1 0 364.807 2.430 20 5 FEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)nc1C ZINC000842281281 680936541 /nfs/dbraw/zinc/93/65/41/680936541.db2.gz OZQAEULKQNTHBH-UHFFFAOYSA-N -1 0 363.395 2.342 20 5 FEBDRM COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768886308 680963332 /nfs/dbraw/zinc/96/33/32/680963332.db2.gz BLPZIHHECQHISS-UHFFFAOYSA-N -1 0 374.396 2.483 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2CC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000842822095 680969442 /nfs/dbraw/zinc/96/94/42/680969442.db2.gz JGSRHZRAPHPGOO-UHFFFAOYSA-N -1 0 352.412 2.430 20 5 FEBDRM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000769077807 680970248 /nfs/dbraw/zinc/97/02/48/680970248.db2.gz PBRYFYWNMUXVLN-JTQLQIEISA-N -1 0 351.359 2.040 20 5 FEBDRM CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000769110784 680971229 /nfs/dbraw/zinc/97/12/29/680971229.db2.gz WYZGBPVIMCNJNZ-UHFFFAOYSA-N -1 0 353.375 2.287 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000769278048 680976373 /nfs/dbraw/zinc/97/63/73/680976373.db2.gz BJQMIXZLAJFKDD-AWEZNQCLSA-N -1 0 368.342 2.119 20 5 FEBDRM CC[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000843035891 680984081 /nfs/dbraw/zinc/98/40/81/680984081.db2.gz DZDVFZQQGPBTDW-ZETCQYMHSA-N -1 0 356.278 2.163 20 5 FEBDRM CCS(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770130661 681006693 /nfs/dbraw/zinc/00/66/93/681006693.db2.gz WRSDQUHVJKLLCX-TXEJJXNPSA-N -1 0 369.443 2.157 20 5 FEBDRM CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843889217 681024172 /nfs/dbraw/zinc/02/41/72/681024172.db2.gz LUAYWHBTDOMYSP-SNVBAGLBSA-N -1 0 371.777 2.305 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2ccsc2[nH]1 ZINC000770776097 681027400 /nfs/dbraw/zinc/02/74/00/681027400.db2.gz SAXDLWLKJYYZBM-UHFFFAOYSA-N -1 0 369.355 2.395 20 5 FEBDRM O=C([O-])Cc1ccc(N2CCCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000844206487 681044661 /nfs/dbraw/zinc/04/46/61/681044661.db2.gz KAMHPUHDUNVRDA-UHFFFAOYSA-N -1 0 361.320 2.296 20 5 FEBDRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1NC ZINC000844666854 681073119 /nfs/dbraw/zinc/07/31/19/681073119.db2.gz LGRPTIMKHNVDFA-ZDUSSCGKSA-N -1 0 359.404 2.110 20 5 FEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000844691488 681074566 /nfs/dbraw/zinc/07/45/66/681074566.db2.gz NXAQXZGJQYLRRI-HZGVNTEJSA-N -1 0 366.754 2.014 20 5 FEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000844930946 681093863 /nfs/dbraw/zinc/09/38/63/681093863.db2.gz XRBGZNDJRXUITI-QMMMGPOBSA-N -1 0 370.305 2.188 20 5 FEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1C1CCC1 ZINC000845437727 681127618 /nfs/dbraw/zinc/12/76/18/681127618.db2.gz AYGSMAQZRKZDCK-UHFFFAOYSA-N -1 0 363.395 2.450 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)ccc1[N+](=O)[O-] ZINC000845472849 681130813 /nfs/dbraw/zinc/13/08/13/681130813.db2.gz YVSPEJDXEINKIB-MBNYWOFBSA-N -1 0 350.396 2.310 20 5 FEBDRM C[C@@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774029239 681165487 /nfs/dbraw/zinc/16/54/87/681165487.db2.gz DDDSNWBNOZLQBX-VIFPVBQESA-N -1 0 373.387 2.380 20 5 FEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)ns1 ZINC000774031698 681165704 /nfs/dbraw/zinc/16/57/04/681165704.db2.gz WKAZYKBLGSTFGZ-UHFFFAOYSA-N -1 0 355.397 2.095 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]2(C)C(C)C)ccc1[N+](=O)[O-] ZINC000774183827 681171867 /nfs/dbraw/zinc/17/18/67/681171867.db2.gz MLEKJEUDDPLCAQ-ABAIWWIYSA-N -1 0 356.400 2.091 20 5 FEBDRM O=C([N-]S(=O)(=O)C1CCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000774285305 681176972 /nfs/dbraw/zinc/17/69/72/681176972.db2.gz YCCFIHGLWGNYRC-UHFFFAOYSA-N -1 0 367.427 2.197 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000774626763 681212317 /nfs/dbraw/zinc/21/23/17/681212317.db2.gz KNZFAMJSBZDKQH-UHFFFAOYSA-N -1 0 359.367 2.285 20 5 FEBDRM O=C(OCCC[N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000774888398 681246313 /nfs/dbraw/zinc/24/63/13/681246313.db2.gz VSLXWHRCVHIPMX-UHFFFAOYSA-N -1 0 354.668 2.474 20 5 FEBDRM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000774962852 681257742 /nfs/dbraw/zinc/25/77/42/681257742.db2.gz TYVXZBBJQFPEKA-UHFFFAOYSA-N -1 0 354.668 2.474 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000846713610 681278099 /nfs/dbraw/zinc/27/80/99/681278099.db2.gz UAVFWVQIFMQIGL-LLVKDONJSA-N -1 0 351.315 2.281 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000775288173 681293070 /nfs/dbraw/zinc/29/30/70/681293070.db2.gz CSIBRSZLLCBDNF-UHFFFAOYSA-N -1 0 369.424 2.434 20 5 FEBDRM Cc1cc(S(=O)(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000776550979 681403664 /nfs/dbraw/zinc/40/36/64/681403664.db2.gz DXCAJYFNXDMOGH-CYBMUJFWSA-N -1 0 370.427 2.463 20 5 FEBDRM O=C([O-])[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000776552531 681404175 /nfs/dbraw/zinc/40/41/75/681404175.db2.gz NPPVLHKVBMIRJD-GFCCVEGCSA-N -1 0 356.400 2.154 20 5 FEBDRM C[C@@H]1CC[C@@](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)(CC(=O)[O-])C1 ZINC000776627626 681419660 /nfs/dbraw/zinc/41/96/60/681419660.db2.gz WWGUZERPVMWDAM-RNCFNFMXSA-N -1 0 362.429 2.216 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776635694 681421093 /nfs/dbraw/zinc/42/10/93/681421093.db2.gz RMUPFDCOENKHDQ-DGCLKSJQSA-N -1 0 362.791 2.170 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])c1 ZINC000776680111 681425331 /nfs/dbraw/zinc/42/53/31/681425331.db2.gz VGFMIHMBKNCWCW-SECBINFHSA-N -1 0 364.807 2.429 20 5 FEBDRM O=C([O-])CCN(C1CCCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000776682512 681425459 /nfs/dbraw/zinc/42/54/59/681425459.db2.gz DPEWSDKFNKXFDM-UHFFFAOYSA-N -1 0 370.427 2.186 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC000776717953 681429652 /nfs/dbraw/zinc/42/96/52/681429652.db2.gz LPFUTPBRGVFOMR-KRTXAFLBSA-N -1 0 362.791 2.040 20 5 FEBDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000847893362 681447899 /nfs/dbraw/zinc/44/78/99/681447899.db2.gz SMHMQANIOHWAEY-UHFFFAOYSA-N -1 0 355.416 2.401 20 5 FEBDRM O=C([N-]CCCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000778169483 681582277 /nfs/dbraw/zinc/58/22/77/681582277.db2.gz LJAGRKMHJJHVQH-UHFFFAOYSA-N -1 0 370.230 2.298 20 5 FEBDRM C[C@@H](C[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1)C(=O)[O-] ZINC000848685136 681601034 /nfs/dbraw/zinc/60/10/34/681601034.db2.gz YLXPATRCWDOUEI-WDEREUQCSA-N -1 0 374.390 2.245 20 5 FEBDRM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(F)F ZINC000848701184 681606041 /nfs/dbraw/zinc/60/60/41/681606041.db2.gz ZBMAMYJDQDYTEL-UHFFFAOYSA-N -1 0 353.303 2.215 20 5 FEBDRM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000849436722 681734074 /nfs/dbraw/zinc/73/40/74/681734074.db2.gz PZOPDIQCDYZADD-XWEPSHTISA-N -1 0 352.771 2.233 20 5 FEBDRM O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OCc1ccccc1Cl ZINC000779666050 681738329 /nfs/dbraw/zinc/73/83/29/681738329.db2.gz IYVVQALPEQVAGQ-UHFFFAOYSA-N -1 0 364.741 2.427 20 5 FEBDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1 ZINC000781464536 681937963 /nfs/dbraw/zinc/93/79/63/681937963.db2.gz ZHFKGHMXVPHVCR-UHFFFAOYSA-N -1 0 371.371 2.278 20 5 FEBDRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000850736789 681952644 /nfs/dbraw/zinc/95/26/44/681952644.db2.gz NDLJZWVZRVTYNU-CQSZACIVSA-N -1 0 362.379 2.327 20 5 FEBDRM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000781749048 681969185 /nfs/dbraw/zinc/96/91/85/681969185.db2.gz HLAUSXMAOUCSRP-JSGCOSHPSA-N -1 0 370.427 2.241 20 5 FEBDRM CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886295 681974131 /nfs/dbraw/zinc/97/41/31/681974131.db2.gz SSFHZLUXADIBBZ-SSDOTTSWSA-N -1 0 354.306 2.220 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000850891513 681975348 /nfs/dbraw/zinc/97/53/48/681975348.db2.gz HWJISCSZKRCQJC-LLVKDONJSA-N -1 0 368.411 2.379 20 5 FEBDRM CSCCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781837407 681978134 /nfs/dbraw/zinc/97/81/34/681978134.db2.gz LOZUQRMFFMUBJH-UHFFFAOYSA-N -1 0 350.393 2.072 20 5 FEBDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781839236 681978723 /nfs/dbraw/zinc/97/87/23/681978723.db2.gz FQHDMCXSXNCFPG-UHFFFAOYSA-N -1 0 364.420 2.318 20 5 FEBDRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000850927482 681982565 /nfs/dbraw/zinc/98/25/65/681982565.db2.gz DUUSPCRQFHYWFL-ZDUSSCGKSA-N -1 0 350.343 2.457 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C[C@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000851087480 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20 5 FEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289494634 552330739 /nfs/dbraw/zinc/33/07/39/552330739.db2.gz SXAHNAAMGIEFNZ-LBPRGKRZSA-N -1 0 361.402 2.173 20 5 FEBDRM O=C(NCc1cccc(N2CCOCC2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000293774123 552855278 /nfs/dbraw/zinc/85/52/78/552855278.db2.gz NAWDLNSOHFUNBE-UHFFFAOYSA-N -1 0 357.366 2.067 20 5 FEBDRM C[C@H](NC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000501865960 561607148 /nfs/dbraw/zinc/60/71/48/561607148.db2.gz GCPTVTCVMVKWGD-QWRGUYRKSA-N -1 0 358.354 2.366 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccncc2)c(Br)c1 ZINC000502134108 561612710 /nfs/dbraw/zinc/61/27/10/561612710.db2.gz XYXZKIPBGSYCHD-UHFFFAOYSA-N -1 0 372.200 2.231 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)CCCCO)c1 ZINC000295854818 553068204 /nfs/dbraw/zinc/06/82/04/553068204.db2.gz XNHLTMMXJRZTAF-JTQLQIEISA-N -1 0 350.824 2.386 20 5 FEBDRM C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000322789175 553768924 /nfs/dbraw/zinc/76/89/24/553768924.db2.gz PTGCWQJZWIGLTF-KCJUWKMLSA-N -1 0 362.791 2.122 20 5 FEBDRM O=C([O-])[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000324370853 553772006 /nfs/dbraw/zinc/77/20/06/553772006.db2.gz JNKFGJYPXSTQBM-CYBMUJFWSA-N -1 0 368.392 2.029 20 5 FEBDRM CN(Cc1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000324603714 553773146 /nfs/dbraw/zinc/77/31/46/553773146.db2.gz IIUVYDOHUUASGF-UHFFFAOYSA-N -1 0 350.352 2.114 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000325370283 553775823 /nfs/dbraw/zinc/77/58/23/553775823.db2.gz GVQUGCYFYVYLGN-OLZOCXBDSA-N -1 0 356.400 2.215 20 5 FEBDRM CCC(CC)(CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000325415425 553776378 /nfs/dbraw/zinc/77/63/78/553776378.db2.gz MDCMDHLNSPIGKK-UHFFFAOYSA-N -1 0 358.416 2.381 20 5 FEBDRM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000325550819 553776760 /nfs/dbraw/zinc/77/67/60/553776760.db2.gz BOPSFLBVCUQORA-VXGBXAGGSA-N -1 0 358.416 2.294 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000325556628 553776789 /nfs/dbraw/zinc/77/67/89/553776789.db2.gz MFKDNBLFHARRSC-RYUDHWBXSA-N -1 0 358.416 2.461 20 5 FEBDRM O=C([O-])[C@@H]1CC[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000327233399 553786905 /nfs/dbraw/zinc/78/69/05/553786905.db2.gz BNXMRUHQBLTBKU-DFBGVHRSSA-N -1 0 368.411 2.391 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc([N+](=O)[O-])c1C ZINC000327667328 553790705 /nfs/dbraw/zinc/79/07/05/553790705.db2.gz JHCPSILLTBRFAD-INIZCTEOSA-N -1 0 370.427 2.333 20 5 FEBDRM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c([N+](=O)[O-])c1 ZINC000327787431 553791360 /nfs/dbraw/zinc/79/13/60/553791360.db2.gz BRTVVKQZIFMTLH-UHFFFAOYSA-N -1 0 370.314 2.242 20 5 FEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000507002787 561713530 /nfs/dbraw/zinc/71/35/30/561713530.db2.gz RZCOTZAPHNRFCI-UHFFFAOYSA-N -1 0 350.352 2.440 20 5 FEBDRM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000330778977 554170152 /nfs/dbraw/zinc/17/01/52/554170152.db2.gz LXPSNOJQOACDHM-LBPRGKRZSA-N -1 0 363.414 2.313 20 5 FEBDRM O=C(Cn1cnc([N+](=O)[O-])n1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000509477004 561801150 /nfs/dbraw/zinc/80/11/50/561801150.db2.gz CLMICAMFUUWJIC-UHFFFAOYSA-N -1 0 366.548 2.491 20 5 FEBDRM COc1cc(CCN=c2nc([C@H](C)OC)[n-]s2)c([N+](=O)[O-])cc1OC ZINC000509727980 561811993 /nfs/dbraw/zinc/81/19/93/561811993.db2.gz GBHQDDXYPXPTTM-VIFPVBQESA-N -1 0 368.415 2.247 20 5 FEBDRM NC(=O)c1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[nH][n-]1 ZINC000610890893 554576459 /nfs/dbraw/zinc/57/64/59/554576459.db2.gz XDTDFFAKVDZHCV-UHFFFAOYSA-N -1 0 367.321 2.461 20 5 FEBDRM CO[C@H](C)c1nc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000511084085 561856247 /nfs/dbraw/zinc/85/62/47/561856247.db2.gz BAWIABBJWCMKHL-SECBINFHSA-N -1 0 350.400 2.492 20 5 FEBDRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000363258016 555065667 /nfs/dbraw/zinc/06/56/67/555065667.db2.gz CLQMZWWYESTJCH-SECBINFHSA-N -1 0 368.392 2.424 20 5 FEBDRM COc1cc(CNC(=O)CNc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000512322300 561900338 /nfs/dbraw/zinc/90/03/38/561900338.db2.gz LQJYMUIYZFDIDG-UHFFFAOYSA-N -1 0 359.338 2.030 20 5 FEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCN(c2ncccc2F)CC1 ZINC000367676523 556111567 /nfs/dbraw/zinc/11/15/67/556111567.db2.gz WYQOAFQTHBLKRZ-UHFFFAOYSA-N -1 0 360.345 2.187 20 5 FEBDRM O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000369312374 556571604 /nfs/dbraw/zinc/57/16/04/556571604.db2.gz OAZPURPWCZFIJK-UHFFFAOYSA-N -1 0 371.393 2.153 20 5 FEBDRM Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000369411994 556594905 /nfs/dbraw/zinc/59/49/05/556594905.db2.gz NZTZJKYRHDWMHY-AWEZNQCLSA-N -1 0 370.365 2.247 20 5 FEBDRM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000370467299 556881457 /nfs/dbraw/zinc/88/14/57/556881457.db2.gz FTYKTWRTQPOSBB-CQSZACIVSA-N -1 0 373.340 2.365 20 5 FEBDRM Cc1cc(N2CCC[C@H](S(C)(=O)=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517033198 562072615 /nfs/dbraw/zinc/07/26/15/562072615.db2.gz HPRKBXKUDTVAEX-LBPRGKRZSA-N -1 0 356.400 2.005 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)N2CCC(C)(C)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000517273522 562083866 /nfs/dbraw/zinc/08/38/66/562083866.db2.gz HKTPMRCHBSZRHN-LBPRGKRZSA-N -1 0 370.427 2.476 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000518783027 562118322 /nfs/dbraw/zinc/11/83/22/562118322.db2.gz WBZRJIMRJFJYMQ-UHFFFAOYSA-N -1 0 367.774 2.400 20 5 FEBDRM Cc1cn(-c2ncccc2F)nc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000372191663 557404868 /nfs/dbraw/zinc/40/48/68/557404868.db2.gz NPOHQLVRAALAIT-UHFFFAOYSA-N -1 0 357.301 2.581 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000519527957 562133607 /nfs/dbraw/zinc/13/36/07/562133607.db2.gz BRTQASQKDLDHTQ-LBPRGKRZSA-N -1 0 368.411 2.087 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000519539156 562134070 /nfs/dbraw/zinc/13/40/70/562134070.db2.gz KMAXXKRKEOQPNQ-ZJUUUORDSA-N -1 0 356.400 2.411 20 5 FEBDRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000519548593 562134434 /nfs/dbraw/zinc/13/44/34/562134434.db2.gz OMSGPYFLEMXVTM-CYBMUJFWSA-N -1 0 371.393 2.430 20 5 FEBDRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000519680503 562139551 /nfs/dbraw/zinc/13/95/51/562139551.db2.gz ABFUVQLOZPRUGQ-HNNXBMFYSA-N -1 0 359.338 2.253 20 5 FEBDRM O=C([O-])[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000372926276 557590125 /nfs/dbraw/zinc/59/01/25/557590125.db2.gz XKYYUNUVNLZHBE-KBPBESRZSA-N -1 0 355.350 2.320 20 5 FEBDRM Cc1nc(CO[C@@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)cs1 ZINC000373017227 557610502 /nfs/dbraw/zinc/61/05/02/557610502.db2.gz ZQCWLWINFJFDJQ-CYBMUJFWSA-N -1 0 363.395 2.497 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000373535970 557713111 /nfs/dbraw/zinc/71/31/11/557713111.db2.gz UFHNMBVWSBDDNJ-SFHVURJKSA-N -1 0 353.334 2.036 20 5 FEBDRM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000373696810 557740738 /nfs/dbraw/zinc/74/07/38/557740738.db2.gz PESPLQZOINNFCY-GUYCJALGSA-N -1 0 350.371 2.101 20 5 FEBDRM O=C(NCc1nc(-c2cccc(F)c2)no1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376143678 558132918 /nfs/dbraw/zinc/13/29/18/558132918.db2.gz MDJSFERMUXGIMC-UHFFFAOYSA-N -1 0 358.285 2.420 20 5 FEBDRM CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000377733991 558408148 /nfs/dbraw/zinc/40/81/48/558408148.db2.gz DTCJOUUSKSIAKG-KBPBESRZSA-N -1 0 361.398 2.306 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000378530993 558576446 /nfs/dbraw/zinc/57/64/46/558576446.db2.gz HNZUOYNMVFQXLW-NSHDSACASA-N -1 0 357.370 2.247 20 5 FEBDRM Cc1cc(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)cc([N+](=O)[O-])c1C 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561682810 /nfs/dbraw/zinc/68/28/10/561682810.db2.gz HZRPAYAKYKEIEL-UHFFFAOYSA-N -1 0 370.408 2.218 20 5 FEBDRM O=C(Nc1cc(Br)c[nH]c1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505919136 561684985 /nfs/dbraw/zinc/68/49/85/561684985.db2.gz OCBFGCXJIFMZHJ-UHFFFAOYSA-N -1 0 354.116 2.416 20 5 FEBDRM O=C(N[C@@H](Cc1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000506401652 561698100 /nfs/dbraw/zinc/69/81/00/561698100.db2.gz ZSENBHGXDOKEGO-ZDUSSCGKSA-N -1 0 353.338 2.132 20 5 FEBDRM CC(C)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000506502136 561700158 /nfs/dbraw/zinc/70/01/58/561700158.db2.gz IYBNTBYLPCBRIJ-HNNXBMFYSA-N -1 0 355.354 2.470 20 5 FEBDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000507024055 561714586 /nfs/dbraw/zinc/71/45/86/561714586.db2.gz YTEQKRSKDUYSPT-UHFFFAOYSA-N -1 0 365.367 2.050 20 5 FEBDRM COC(=O)c1cccc2[nH]c(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)nc21 ZINC000507298661 561724104 /nfs/dbraw/zinc/72/41/04/561724104.db2.gz 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CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cn1 ZINC000537602056 673396754 /nfs/dbraw/zinc/39/67/54/673396754.db2.gz WFFBDMCVVNEFSB-UHFFFAOYSA-N -1 0 366.399 2.041 20 5 FEBDRM CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733676085 673430855 /nfs/dbraw/zinc/43/08/55/673430855.db2.gz NSOVEVNZELLCFW-HNNXBMFYSA-N -1 0 370.427 2.279 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000539856823 673510213 /nfs/dbraw/zinc/51/02/13/673510213.db2.gz ZIKLGUBFGXFQBV-UHFFFAOYSA-N -1 0 363.395 2.397 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](CN2CCCC2=O)C1 ZINC000598400419 673566767 /nfs/dbraw/zinc/56/67/67/673566767.db2.gz UYFUQCJLTGXUAL-JTQLQIEISA-N -1 0 367.789 2.038 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2c3c(nn2C)CCC3)c(C)c1[N+](=O)[O-] ZINC000598735596 673604968 /nfs/dbraw/zinc/60/49/68/673604968.db2.gz WRFOMESQEGRUAV-UHFFFAOYSA-N -1 0 350.400 2.235 20 5 FEBDRM COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000542931428 673615923 /nfs/dbraw/zinc/61/59/23/673615923.db2.gz GCQUBYOWYZAPGT-UHFFFAOYSA-N -1 0 372.380 2.252 20 5 FEBDRM COC(=O)CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000739668625 673634217 /nfs/dbraw/zinc/63/42/17/673634217.db2.gz GXAUIUHCCBCCGQ-UHFFFAOYSA-N -1 0 368.346 2.333 20 5 FEBDRM CSCCCCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000740531276 673648504 /nfs/dbraw/zinc/64/85/04/673648504.db2.gz QKTUPLJIYSRKDY-UHFFFAOYSA-N -1 0 350.393 2.072 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000599295562 673655233 /nfs/dbraw/zinc/65/52/33/673655233.db2.gz LJIAGLJWUMAHKG-KGLIPLIRSA-N -1 0 364.427 2.333 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000599319734 673658155 /nfs/dbraw/zinc/65/81/55/673658155.db2.gz JFDMZNODGLOIGD-KBPBESRZSA-N -1 0 364.427 2.191 20 5 FEBDRM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000742030014 673704390 /nfs/dbraw/zinc/70/43/90/673704390.db2.gz RBXAKTSRRGQDTO-UHFFFAOYSA-N -1 0 371.346 2.266 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000744012955 673779466 /nfs/dbraw/zinc/77/94/66/673779466.db2.gz URQMNELIUVDITN-JTQLQIEISA-N -1 0 368.367 2.113 20 5 FEBDRM Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000744150486 673784290 /nfs/dbraw/zinc/78/42/90/673784290.db2.gz CAQFJJUOLXUZQE-UHFFFAOYSA-N -1 0 352.343 2.469 20 5 FEBDRM COc1ccccc1S(=O)(=O)[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000744208676 673786982 /nfs/dbraw/zinc/78/69/82/673786982.db2.gz LIGJEYRJAYEYGS-DHZHZOJOSA-N -1 0 362.363 2.122 20 5 FEBDRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000600871643 673804583 /nfs/dbraw/zinc/80/45/83/673804583.db2.gz AZWLMCIKRFKEIP-HYSWKAIVSA-N -1 0 350.371 2.216 20 5 FEBDRM CSc1ccc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000600873840 673805003 /nfs/dbraw/zinc/80/50/03/673805003.db2.gz FJSCYDSONRVHCE-JQWIXIFHSA-N -1 0 368.411 2.316 20 5 FEBDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600877396 673805194 /nfs/dbraw/zinc/80/51/94/673805194.db2.gz SFYVUZBMBAKGAJ-BXKDBHETSA-N -1 0 356.762 2.248 20 5 FEBDRM CN(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000547873240 673895716 /nfs/dbraw/zinc/89/57/16/673895716.db2.gz YSRYKLAFWNKHOQ-UHFFFAOYSA-N -1 0 365.367 2.160 20 5 FEBDRM COc1ccc(CSCC(=O)[N-]OCc2cccnc2)cc1[N+](=O)[O-] ZINC000746937981 673897660 /nfs/dbraw/zinc/89/76/60/673897660.db2.gz SBMTXHCJISEGBA-UHFFFAOYSA-N -1 0 363.395 2.480 20 5 FEBDRM C[C@@H]1CC[C@](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)(CC(=O)[O-])C1 ZINC000547890662 673898151 /nfs/dbraw/zinc/89/81/51/673898151.db2.gz ZJRUMRJQZVMWNM-NOZJJQNGSA-N -1 0 362.429 2.216 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000547922372 673905072 /nfs/dbraw/zinc/90/50/72/673905072.db2.gz ZUERKJIKDWBKEX-AWEZNQCLSA-N -1 0 368.342 2.147 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000547937928 673907383 /nfs/dbraw/zinc/90/73/83/673907383.db2.gz RRGRTNDYVKZXKG-LBPRGKRZSA-N -1 0 370.408 2.377 20 5 FEBDRM Cc1ccc(S(=O)(=O)NCCc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547940016 673907649 /nfs/dbraw/zinc/90/76/49/673907649.db2.gz CLHUOGQMQIIVCK-UHFFFAOYSA-N -1 0 364.379 2.122 20 5 FEBDRM O=C([O-])CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548242223 673941396 /nfs/dbraw/zinc/94/13/96/673941396.db2.gz KZOTVQUREXCSKI-UHFFFAOYSA-N -1 0 368.342 2.009 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000548264296 673945082 /nfs/dbraw/zinc/94/50/82/673945082.db2.gz KQXGPBMDEREVHS-CYBMUJFWSA-N -1 0 358.416 2.325 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1C ZINC000548355423 673952943 /nfs/dbraw/zinc/95/29/43/673952943.db2.gz WPBXJKJFDMYGOR-OUCADQQQSA-N -1 0 368.411 2.085 20 5 FEBDRM O=C([O-])c1ccc(F)cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548525825 673965391 /nfs/dbraw/zinc/96/53/91/673965391.db2.gz OGNPNJKUFOTATE-UHFFFAOYSA-N -1 0 354.315 2.374 20 5 FEBDRM C[C@@H]1CCC[C@@](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC000548770852 673994407 /nfs/dbraw/zinc/99/44/07/673994407.db2.gz HVBYNLNHXYKQSJ-WBMJQRKESA-N -1 0 370.427 2.090 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000819937067 675325873 /nfs/dbraw/zinc/32/58/73/675325873.db2.gz VONZXOPZPQVQPS-PWSUYJOCSA-N -1 0 356.400 2.235 20 5 FEBDRM Cn1ccc([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000821135561 675417486 /nfs/dbraw/zinc/41/74/86/675417486.db2.gz SFZSFIJWYQLGQQ-UHFFFAOYSA-N -1 0 351.171 2.436 20 5 FEBDRM CO[C@@H]1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC000826647057 675697743 /nfs/dbraw/zinc/69/77/43/675697743.db2.gz JOMMKVOKPLGTRE-SNVBAGLBSA-N -1 0 366.761 2.000 20 5 FEBDRM CO[C@H]1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC000826652757 675698126 /nfs/dbraw/zinc/69/81/26/675698126.db2.gz 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COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000619589190 676386529 /nfs/dbraw/zinc/38/65/29/676386529.db2.gz XUSNCFILEJTJCY-NSHDSACASA-N -1 0 374.415 2.113 20 5 FEBDRM CCCCC[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000829929034 677018155 /nfs/dbraw/zinc/01/81/55/677018155.db2.gz PUALWJXPLYPCON-ZDUSSCGKSA-N -1 0 358.416 2.090 20 5 FEBDRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000838798107 680720018 /nfs/dbraw/zinc/72/00/18/680720018.db2.gz UGKMVFNSLIMIJI-UHFFFAOYSA-N -1 0 363.395 2.372 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C2/CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000761427080 680723090 /nfs/dbraw/zinc/72/30/90/680723090.db2.gz FGPKMGXMCGSVAB-DFYQSJSGSA-N -1 0 354.384 2.155 20 5 FEBDRM C[C@H](CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)n1cccc1 ZINC000762734284 680760106 /nfs/dbraw/zinc/76/01/06/680760106.db2.gz PQVMUEAKIDAFSZ-CYBMUJFWSA-N -1 0 365.411 2.036 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000763922841 680795728 /nfs/dbraw/zinc/79/57/28/680795728.db2.gz CSSDQURIDCUCHG-LLVKDONJSA-N -1 0 366.370 2.484 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000764077869 680799658 /nfs/dbraw/zinc/79/96/58/680799658.db2.gz UTFLNMBBMMEJKI-VIFPVBQESA-N -1 0 370.333 2.482 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccsc2C(N)=O)cc1C ZINC000764532549 680813297 /nfs/dbraw/zinc/81/32/97/680813297.db2.gz CDYBNVCWNAAYKV-UHFFFAOYSA-N -1 0 355.397 2.173 20 5 FEBDRM COc1ccc(CSCC(=O)[N-]O[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000749620382 680062390 /nfs/dbraw/zinc/06/23/90/680062390.db2.gz RTPZLPOGRDJYKW-OAHLLOKOSA-N -1 0 356.400 2.411 20 5 FEBDRM C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000750538413 680121342 /nfs/dbraw/zinc/12/13/42/680121342.db2.gz IHLYFHFAUYHAPJ-JTQLQIEISA-N -1 0 353.375 2.191 20 5 FEBDRM O=C([O-])NC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000832427026 680133354 /nfs/dbraw/zinc/13/33/54/680133354.db2.gz FINXHNXADYTDNM-JTQLQIEISA-N -1 0 361.276 2.390 20 5 FEBDRM CC[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000833709789 680198595 /nfs/dbraw/zinc/19/85/95/680198595.db2.gz YYLGAJPNPNXZLQ-SNVBAGLBSA-N -1 0 353.375 2.334 20 5 FEBDRM O=C(CC1CC(F)(F)C1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835028658 680287315 /nfs/dbraw/zinc/28/73/15/680287315.db2.gz OKFLUJJVFBDNSS-UHFFFAOYSA-N -1 0 368.745 2.489 20 5 FEBDRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000835156628 680302023 /nfs/dbraw/zinc/30/20/23/680302023.db2.gz WVQNSGSMJORYOV-UHFFFAOYSA-N -1 0 362.379 2.238 20 5 FEBDRM Cc1cnc(CCCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000835166038 680302879 /nfs/dbraw/zinc/30/28/79/680302879.db2.gz HTBSLZAKETWAKR-UHFFFAOYSA-N -1 0 367.383 2.027 20 5 FEBDRM O=C([N-]S(=O)(=O)CCCF)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835194333 680305785 /nfs/dbraw/zinc/30/57/85/680305785.db2.gz CXHAWKZLKLGEOH-UHFFFAOYSA-N -1 0 358.269 2.033 20 5 FEBDRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000754673107 680370208 /nfs/dbraw/zinc/37/02/08/680370208.db2.gz LXELMHFQOGVSGW-VMPITWQZSA-N -1 0 361.807 2.382 20 5 FEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000754676987 680370346 /nfs/dbraw/zinc/37/03/46/680370346.db2.gz ZSMMMMVDJZVQFZ-BWPRHRIFSA-N -1 0 373.818 2.072 20 5 FEBDRM Nc1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)cc1[N+](=O)[O-] ZINC000835937023 680400345 /nfs/dbraw/zinc/40/03/45/680400345.db2.gz ILPIXLMBQGMYPV-UHFFFAOYSA-N -1 0 355.416 2.207 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)cc1[N+](=O)[O-] ZINC000835945315 680402023 /nfs/dbraw/zinc/40/20/23/680402023.db2.gz KSUBSFSFSGFVQP-UHFFFAOYSA-N -1 0 355.416 2.276 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000755741079 680432484 /nfs/dbraw/zinc/43/24/84/680432484.db2.gz RXUKGNWQIACMSW-KTKRTIGZSA-N -1 0 362.363 2.334 20 5 FEBDRM CC(=O)CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C 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O=C([N-]S(=O)(=O)C1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842297455 680937302 /nfs/dbraw/zinc/93/73/02/680937302.db2.gz WEIJYPYNXBXZSF-LSDHHAIUSA-N -1 0 352.412 2.477 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)c2coc(C3CC3)n2)cccc1[N+](=O)[O-] ZINC000842404202 680944419 /nfs/dbraw/zinc/94/44/19/680944419.db2.gz PJBOEAWCJJFCTJ-UHFFFAOYSA-N -1 0 365.367 2.028 20 5 FEBDRM COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000768848000 680961430 /nfs/dbraw/zinc/96/14/30/680961430.db2.gz KMGYDSDTFBMXSN-UHFFFAOYSA-N -1 0 371.758 2.231 20 5 FEBDRM COc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000768864886 680962331 /nfs/dbraw/zinc/96/23/31/680962331.db2.gz WJTXWWCPYFQQSM-UHFFFAOYSA-N -1 0 374.396 2.483 20 5 FEBDRM COc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1NC(C)=O ZINC000768868461 680962627 /nfs/dbraw/zinc/96/26/27/680962627.db2.gz NNRWECWUTUWPMB-UHFFFAOYSA-N -1 0 371.396 2.424 20 5 FEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 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CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795858512 683099520 /nfs/dbraw/zinc/09/95/20/683099520.db2.gz ZPQLHOSKTDFEKZ-VIFPVBQESA-N -1 0 354.787 2.073 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CC2(O)CCCCC2)c1 ZINC000795858514 683099556 /nfs/dbraw/zinc/09/95/56/683099556.db2.gz ZTTBYMCAWHKROY-UHFFFAOYSA-N -1 0 366.798 2.361 20 5 FEBDRM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795914090 683107954 /nfs/dbraw/zinc/10/79/54/683107954.db2.gz YOYIBVKFPSVZQK-KWQFWETISA-N -1 0 366.798 2.481 20 5 FEBDRM CC(C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)(C)O ZINC000795945896 683111545 /nfs/dbraw/zinc/11/15/45/683111545.db2.gz UXQDFDONRSNPOC-LBPRGKRZSA-N -1 0 368.814 2.461 20 5 FEBDRM Cc1ccc([C@@H](O)[C@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000796102140 683128078 /nfs/dbraw/zinc/12/80/78/683128078.db2.gz DPXWEBNNOYPLHN-NHYWBVRUSA-N -1 0 368.386 2.443 20 5 FEBDRM COc1c(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)cccc1[N+](=O)[O-] 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-1 0 367.365 2.363 20 5 FEBDRM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160176551 326956087 /nfs/dbraw/zinc/95/60/87/326956087.db2.gz VBJCPZAJELPCHD-TZMCWYRMSA-N -1 0 363.414 2.457 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000161741615 327008091 /nfs/dbraw/zinc/00/80/91/327008091.db2.gz NNLYRBXVLRLGEJ-UHFFFAOYSA-N -1 0 359.367 2.489 20 5 FEBDRM O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164044140 327063455 /nfs/dbraw/zinc/06/34/55/327063455.db2.gz WGMJYIMPBKTNIZ-MRXNPFEDSA-N -1 0 371.393 2.104 20 5 FEBDRM Cc1nccn1-c1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000164303001 327068167 /nfs/dbraw/zinc/06/81/67/327068167.db2.gz NRCDOZZERYHNTM-UHFFFAOYSA-N -1 0 353.338 2.120 20 5 FEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165185408 327077174 /nfs/dbraw/zinc/07/71/74/327077174.db2.gz FLCLKUFJBXLDAN-ZDUSSCGKSA-N -1 0 357.160 2.294 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)COCC3)ccc1[N+](=O)[O-] ZINC000172316215 327195132 /nfs/dbraw/zinc/19/51/32/327195132.db2.gz UILDXRPTHIYGBQ-UHFFFAOYSA-N -1 0 355.397 2.233 20 5 FEBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1SC ZINC000261914229 328828990 /nfs/dbraw/zinc/82/89/90/328828990.db2.gz YOEDWVFRCHCGMT-SECBINFHSA-N -1 0 354.384 2.262 20 5 FEBDRM CSc1ccc(C(=O)N2CCSC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000261988999 328833686 /nfs/dbraw/zinc/83/36/86/328833686.db2.gz BEQKAHXMJHPEBH-SNVBAGLBSA-N -1 0 356.425 2.349 20 5 FEBDRM CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000262418394 328864518 /nfs/dbraw/zinc/86/45/18/328864518.db2.gz MQCUCOJXBVRHNE-UFBFGSQYSA-N -1 0 364.807 2.334 20 5 FEBDRM CCOc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000262439143 328865846 /nfs/dbraw/zinc/86/58/46/328865846.db2.gz FYJNQILZYQACKG-LLVKDONJSA-N -1 0 368.386 2.479 20 5 FEBDRM Cc1nc([C@H](C)NC(=O)CNc2ccccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000262569621 328873759 /nfs/dbraw/zinc/87/37/59/328873759.db2.gz MODIYNYIGGDIIF-VIFPVBQESA-N -1 0 364.383 2.347 20 5 FEBDRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262732977 328884983 /nfs/dbraw/zinc/88/49/83/328884983.db2.gz CHTJJMVXZPYLRK-SSDOTTSWSA-N -1 0 350.249 2.081 20 5 FEBDRM CCO[C@H]1C[C@@](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000262767670 328887879 /nfs/dbraw/zinc/88/78/79/328887879.db2.gz GSXXEUZZNHAJOA-SUMWQHHRSA-N -1 0 350.371 2.291 20 5 FEBDRM O=C([O-])c1cc(C(=O)N2CCSC3(CCOCC3)C2)cc([N+](=O)[O-])c1 ZINC000262788953 328889461 /nfs/dbraw/zinc/88/94/61/328889461.db2.gz KJVIVGDXMYZISO-UHFFFAOYSA-N -1 0 366.395 2.031 20 5 FEBDRM C[C@@H](Cc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1)C(=O)[O-] ZINC000262832605 328892998 /nfs/dbraw/zinc/89/29/98/328892998.db2.gz RDAAQTKVDNZOJJ-NSHDSACASA-N -1 0 360.370 2.428 20 5 FEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262868153 328896158 /nfs/dbraw/zinc/89/61/58/328896158.db2.gz FWRLSMBQUVOUAX-IOASZLSFSA-N -1 0 370.365 2.106 20 5 FEBDRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000262991605 328906505 /nfs/dbraw/zinc/90/65/05/328906505.db2.gz VHHVQWTYJPISAZ-SFHVURJKSA-N -1 0 372.381 2.353 20 5 FEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000263008124 328908154 /nfs/dbraw/zinc/90/81/54/328908154.db2.gz RWKYDQFPDURGLV-SECBINFHSA-N -1 0 357.160 2.437 20 5 FEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000263096898 328915338 /nfs/dbraw/zinc/91/53/38/328915338.db2.gz CMNCRYOQCNRINE-STQMWFEESA-N -1 0 361.398 2.378 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1OC ZINC000263147914 328919864 /nfs/dbraw/zinc/91/98/64/328919864.db2.gz FDSFQVSSWCGQGL-WDEREUQCSA-N -1 0 366.370 2.185 20 5 FEBDRM COC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000266983028 329279735 /nfs/dbraw/zinc/27/97/35/329279735.db2.gz ABYKJOLXUFRHNN-LBPRGKRZSA-N -1 0 370.383 2.171 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000267416405 329325073 /nfs/dbraw/zinc/32/50/73/329325073.db2.gz SEZRGRJWAMGNRT-UHFFFAOYSA-N -1 0 372.428 2.454 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000270413256 329598706 /nfs/dbraw/zinc/59/87/06/329598706.db2.gz CMMRDAGVWSPMKF-GFCCVEGCSA-N -1 0 356.400 2.087 20 5 FEBDRM CCC(CC)C(=O)N1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272619736 329797996 /nfs/dbraw/zinc/79/79/96/329797996.db2.gz UPJCFJYPSYXNKP-UHFFFAOYSA-N -1 0 363.414 2.457 20 5 FEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000273369529 329859205 /nfs/dbraw/zinc/85/92/05/329859205.db2.gz PNBFABWDOANMQD-UHFFFAOYSA-N -1 0 362.386 2.167 20 5 FEBDRM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000274411975 329946438 /nfs/dbraw/zinc/94/64/38/329946438.db2.gz MNSWEVXFWXOGBB-LLVKDONJSA-N -1 0 350.371 2.494 20 5 FEBDRM CC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000274964139 329997472 /nfs/dbraw/zinc/99/74/72/329997472.db2.gz BQSLHTUPTVXCGK-OAHLLOKOSA-N -1 0 356.400 2.087 20 5 FEBDRM CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000275082333 330008659 /nfs/dbraw/zinc/00/86/59/330008659.db2.gz IWBRWBFXJQMIDE-UHFFFAOYSA-N -1 0 362.791 2.124 20 5 FEBDRM C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000275097975 330010391 /nfs/dbraw/zinc/01/03/91/330010391.db2.gz LCCPUBMJHXJGDB-VXGBXAGGSA-N -1 0 356.400 2.106 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000275099224 330010438 /nfs/dbraw/zinc/01/04/38/330010438.db2.gz LJJPYKMQWYAFBX-CYBMUJFWSA-N -1 0 362.791 2.124 20 5 FEBDRM C[C@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000275156665 330016604 /nfs/dbraw/zinc/01/66/04/330016604.db2.gz SMIBWTPARNCQOR-MNOVXSKESA-N -1 0 374.390 2.245 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000275166853 330017489 /nfs/dbraw/zinc/01/74/89/330017489.db2.gz VSTFQUSABQBXRH-UHFFFAOYSA-N -1 0 356.400 2.169 20 5 FEBDRM C[C@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000275190834 330020337 /nfs/dbraw/zinc/02/03/37/330020337.db2.gz XVVWPELLBGSBFB-LLVKDONJSA-N -1 0 356.400 2.106 20 5 FEBDRM C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000275207914 330022223 /nfs/dbraw/zinc/02/22/23/330022223.db2.gz ZNULHNFMDOFCSH-LBPRGKRZSA-N -1 0 370.427 2.247 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC(=O)[O-])C1CCCC1 ZINC000275330925 330035990 /nfs/dbraw/zinc/03/59/90/330035990.db2.gz QKXNWKMPQZVOCU-UHFFFAOYSA-N -1 0 372.399 2.011 20 5 FEBDRM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000276346621 330143320 /nfs/dbraw/zinc/14/33/20/330143320.db2.gz KCCDKBDVRIKWNF-GFCCVEGCSA-N -1 0 365.386 2.430 20 5 FEBDRM Cc1[nH]nc(C(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000500937136 538581780 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368.349 2.425 20 5 FEBDRM O=C([O-])[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000178259380 546765598 /nfs/dbraw/zinc/76/55/98/546765598.db2.gz YPXZHGDTBLMBNI-ZDUSSCGKSA-N -1 0 350.374 2.088 20 5 FEBDRM Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)n1 ZINC000179505202 546967211 /nfs/dbraw/zinc/96/72/11/546967211.db2.gz DLZGNJMDFPUVNS-UHFFFAOYSA-N -1 0 356.382 2.403 20 5 FEBDRM O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000181876426 547396475 /nfs/dbraw/zinc/39/64/75/547396475.db2.gz UUJHFLVADGTBQY-UHFFFAOYSA-N -1 0 357.366 2.385 20 5 FEBDRM CNC(=O)Cn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc21 ZINC000182052395 547429366 /nfs/dbraw/zinc/42/93/66/547429366.db2.gz ALKDSZNMLLIMJR-UHFFFAOYSA-N -1 0 368.349 2.253 20 5 FEBDRM CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182183562 547448948 /nfs/dbraw/zinc/44/89/48/547448948.db2.gz HFGIBNSUJPGVSG-UHFFFAOYSA-N -1 0 361.320 2.399 20 5 FEBDRM Cc1sc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000484819210 561306468 /nfs/dbraw/zinc/30/64/68/561306468.db2.gz GWABCQUBZWRBCQ-FOGDFJRCSA-N -1 0 374.440 2.371 20 5 FEBDRM Cc1sc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000484819212 561306557 /nfs/dbraw/zinc/30/65/57/561306557.db2.gz GWABCQUBZWRBCQ-NHCYSSNCSA-N -1 0 374.440 2.371 20 5 FEBDRM CCn1nnnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184802569 547880615 /nfs/dbraw/zinc/88/06/15/547880615.db2.gz LFYVRLQGQBZZHR-UHFFFAOYSA-N -1 0 354.326 2.226 20 5 FEBDRM COc1cc(OCC(=O)NCCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000485450420 561319453 /nfs/dbraw/zinc/31/94/53/561319453.db2.gz MUMYFDUTDOEWMY-UHFFFAOYSA-N -1 0 374.349 2.039 20 5 FEBDRM O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185921439 548059178 /nfs/dbraw/zinc/05/91/78/548059178.db2.gz AQMNWHRHQWQGGC-UHFFFAOYSA-N -1 0 356.382 2.090 20 5 FEBDRM O=C(CNC(=O)Cc1ccccc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186050195 548077935 /nfs/dbraw/zinc/07/79/35/548077935.db2.gz VNJHIDMYOHKSPY-UHFFFAOYSA-N -1 0 363.757 2.251 20 5 FEBDRM O=C([O-])[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000485820718 561329152 /nfs/dbraw/zinc/32/91/52/561329152.db2.gz UJPALLYPFBZOBH-CQSZACIVSA-N -1 0 360.341 2.336 20 5 FEBDRM Cc1c([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000186492635 548143576 /nfs/dbraw/zinc/14/35/76/548143576.db2.gz UTQHLFPKVQKGCI-UHFFFAOYSA-N -1 0 364.305 2.463 20 5 FEBDRM O=C(Cn1c2ccccc2c(=O)c2ccccc21)[N-]OC[C@@H]1CCOC1 ZINC000188324633 548276113 /nfs/dbraw/zinc/27/61/13/548276113.db2.gz SJQPVFHIEKNTLB-CQSZACIVSA-N -1 0 352.390 2.239 20 5 FEBDRM CN(CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000486283272 561343201 /nfs/dbraw/zinc/34/32/01/561343201.db2.gz LKVVYMZPNSACPH-CQSZACIVSA-N -1 0 357.366 2.016 20 5 FEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261948259 549772877 /nfs/dbraw/zinc/77/28/77/549772877.db2.gz VWUQUGSSECCAHV-GDLCADMTSA-N -1 0 354.384 2.001 20 5 FEBDRM Cc1c(C(=O)NC2(C(=O)[O-])CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262311363 549809510 /nfs/dbraw/zinc/80/95/10/549809510.db2.gz OAFCFPBRQCCPTQ-UHFFFAOYSA-N -1 0 373.369 2.001 20 5 FEBDRM O=C([O-])C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCOCC1 ZINC000262887746 549859612 /nfs/dbraw/zinc/85/96/12/549859612.db2.gz YNTORMZGGQGATN-UHFFFAOYSA-N -1 0 364.379 2.421 20 5 FEBDRM C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000262890223 549860026 /nfs/dbraw/zinc/86/00/26/549860026.db2.gz HJRQEWNMTPDGNT-JSGCOSHPSA-N -1 0 361.398 2.378 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000263118693 549879320 /nfs/dbraw/zinc/87/93/20/549879320.db2.gz GOYPVESZPFSAEB-UHFFFAOYSA-N -1 0 358.354 2.275 20 5 FEBDRM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000263214474 549885989 /nfs/dbraw/zinc/88/59/89/549885989.db2.gz PITNOTOHJLIWTM-UHFFFAOYSA-N -1 0 358.354 2.275 20 5 FEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000263341843 549895972 /nfs/dbraw/zinc/89/59/72/549895972.db2.gz NQFSDSNHTORLFL-UWVGGRQHSA-N -1 0 359.338 2.031 20 5 FEBDRM CCOc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC ZINC000263502935 549905829 /nfs/dbraw/zinc/90/58/29/549905829.db2.gz ULLZMJZKTXZQOM-SNVBAGLBSA-N -1 0 367.358 2.331 20 5 FEBDRM CCCc1[nH]nc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1[N+](=O)[O-] ZINC000269025180 550145755 /nfs/dbraw/zinc/14/57/55/550145755.db2.gz VTAZUAULXPFUNW-UHFFFAOYSA-N -1 0 364.309 2.479 20 5 FEBDRM CCn1nc(C)c(S(=O)(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)c1C ZINC000270349375 550264041 /nfs/dbraw/zinc/26/40/41/550264041.db2.gz UIPZSGIGZUEJCF-UHFFFAOYSA-N -1 0 364.387 2.105 20 5 FEBDRM C[C@H](Sc1nncn1C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272242522 550430905 /nfs/dbraw/zinc/43/09/05/550430905.db2.gz NTFNOPQNKTWOSJ-LURJTMIESA-N -1 0 357.779 2.202 20 5 FEBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nnc2n1CCCCC2 ZINC000274876796 550561772 /nfs/dbraw/zinc/56/17/72/550561772.db2.gz NPIIACNDQVDSHJ-ZDUSSCGKSA-N -1 0 359.386 2.499 20 5 FEBDRM CC(C)(C)[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000274929790 550565755 /nfs/dbraw/zinc/56/57/55/550565755.db2.gz CTEXYGFYJCIMBM-ZDUSSCGKSA-N -1 0 372.443 2.194 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc([C@@H]2CCCO2)nn1C ZINC000278881642 550832247 /nfs/dbraw/zinc/83/22/47/550832247.db2.gz OQMKMNJIZPKSNE-ZDUSSCGKSA-N -1 0 366.399 2.289 20 5 FEBDRM CN(C(=O)[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281473486 551102050 /nfs/dbraw/zinc/10/20/50/551102050.db2.gz CRBCMQXHMICIOP-CQSZACIVSA-N -1 0 369.377 2.426 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000282061751 551175642 /nfs/dbraw/zinc/17/56/42/551175642.db2.gz ZYSINTULPIJUSK-NSHDSACASA-N -1 0 374.415 2.113 20 5 FEBDRM CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000285914119 551826641 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COc1ccccc1[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1 ZINC000505459810 561671545 /nfs/dbraw/zinc/67/15/45/561671545.db2.gz ISPBUQJVPHVDJV-MRXNPFEDSA-N -1 0 357.366 2.096 20 5 FEBDRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000325647261 553777286 /nfs/dbraw/zinc/77/72/86/553777286.db2.gz XSJVXCGWGOXJQL-NWDGAFQWSA-N -1 0 358.416 2.294 20 5 FEBDRM O=C([O-])c1ccc(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000325979440 553778657 /nfs/dbraw/zinc/77/86/57/553778657.db2.gz AXWRFPATUDEVLD-UHFFFAOYSA-N -1 0 354.315 2.374 20 5 FEBDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000325997564 553778779 /nfs/dbraw/zinc/77/87/79/553778779.db2.gz FIXRBGCTAJZAJZ-UHFFFAOYSA-N -1 0 350.352 2.491 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000326306796 553780057 /nfs/dbraw/zinc/78/00/57/553780057.db2.gz QZVJHDGMGTVQPX-CYBMUJFWSA-N -1 0 356.400 2.167 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326812842 553783535 /nfs/dbraw/zinc/78/35/35/553783535.db2.gz FYEHKABFWGHULG-UHFFFAOYSA-N -1 0 362.363 2.306 20 5 FEBDRM CC(C)C[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000327113053 553786295 /nfs/dbraw/zinc/78/62/95/553786295.db2.gz GAXFTOOBKQEJPO-LLVKDONJSA-N -1 0 373.431 2.004 20 5 FEBDRM COc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000327258775 553787185 /nfs/dbraw/zinc/78/71/85/553787185.db2.gz BIACVZGIXCMWOK-UHFFFAOYSA-N -1 0 366.351 2.411 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000327474827 553789214 /nfs/dbraw/zinc/78/92/14/553789214.db2.gz GYEUICOXEARBPC-QWRGUYRKSA-N -1 0 374.415 2.161 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000327708190 553791132 /nfs/dbraw/zinc/79/11/32/553791132.db2.gz PYZXZIYOZJKCCR-UHFFFAOYSA-N -1 0 372.399 2.011 20 5 FEBDRM NC(=O)c1ccc(CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000505741876 561679116 /nfs/dbraw/zinc/67/91/16/561679116.db2.gz LJSMGYSPNHFIDH-UHFFFAOYSA-N -1 0 355.350 2.204 20 5 FEBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000506488376 561699946 /nfs/dbraw/zinc/69/99/46/561699946.db2.gz RJOOLACDTVLTTC-MRXNPFEDSA-N -1 0 373.340 2.317 20 5 FEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000507085019 561716866 /nfs/dbraw/zinc/71/68/66/561716866.db2.gz CJPJRBKDHDSFSI-UHFFFAOYSA-N -1 0 359.357 2.398 20 5 FEBDRM CCc1nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)sc1C(=O)OC ZINC000507300048 561724290 /nfs/dbraw/zinc/72/42/90/561724290.db2.gz HXNJDZWYZOGJNP-UHFFFAOYSA-N -1 0 351.340 2.358 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cn2ccnc2)cn1 ZINC000508072824 561750402 /nfs/dbraw/zinc/75/04/02/561750402.db2.gz ICDYZYNAIPGPKI-UHFFFAOYSA-N -1 0 373.394 2.344 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3ccnc3)cn2)ccc1[N+](=O)[O-] ZINC000508087801 561751145 /nfs/dbraw/zinc/75/11/45/561751145.db2.gz XWROWGTWOMNJNT-UHFFFAOYSA-N -1 0 373.394 2.344 20 5 FEBDRM O=[N+]([O-])c1ccc2[nH]nc([N-]S(=O)(=O)c3cccc4c3OCO4)c2c1 ZINC000509209395 561790208 /nfs/dbraw/zinc/79/02/08/561790208.db2.gz HQUDQWYCEZDGLF-UHFFFAOYSA-N -1 0 362.323 2.001 20 5 FEBDRM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509629899 561808006 /nfs/dbraw/zinc/80/80/06/561808006.db2.gz YPYXREBUSGNBRM-UHFFFAOYSA-N -1 0 350.352 2.491 20 5 FEBDRM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc(C(=O)OC)c1 ZINC000509741612 561812238 /nfs/dbraw/zinc/81/22/38/561812238.db2.gz DZIAEMGTUKIUBC-UHFFFAOYSA-N -1 0 374.305 2.126 20 5 FEBDRM Cc1noc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000364431442 555312757 /nfs/dbraw/zinc/31/27/57/555312757.db2.gz FJHYKRUCKCHDCU-OAHLLOKOSA-N -1 0 374.378 2.354 20 5 FEBDRM CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000513815573 561950941 /nfs/dbraw/zinc/95/09/41/561950941.db2.gz WZHAGYMQBUHJSH-UHFFFAOYSA-N -1 0 354.315 2.257 20 5 FEBDRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O ZINC000513816092 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CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773364 673137819 /nfs/dbraw/zinc/13/78/19/673137819.db2.gz QCJFMKKETSQDHB-YGRLFVJLSA-N -1 0 369.374 2.183 20 5 FEBDRM O=C([O-])C12CC(C1)CN2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595245307 673213190 /nfs/dbraw/zinc/21/31/90/673213190.db2.gz SNYGGQODSFWRES-UHFFFAOYSA-N -1 0 359.363 2.408 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000731409160 673329530 /nfs/dbraw/zinc/32/95/30/673329530.db2.gz HLCOLASTQVURAD-SNVBAGLBSA-N -1 0 352.343 2.343 20 5 FEBDRM O=C([O-])[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000596027667 673350428 /nfs/dbraw/zinc/35/04/28/673350428.db2.gz VCONBHCEQQIIIT-JTQLQIEISA-N -1 0 362.791 2.027 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CCC(C)C)cc1OC ZINC000732512279 673370106 /nfs/dbraw/zinc/37/01/06/673370106.db2.gz NDVGNHMBQOZLPP-UHFFFAOYSA-N -1 0 374.415 2.108 20 5 FEBDRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000732619901 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KDEDKZOZYDREMP-UHFFFAOYSA-N -1 0 366.330 2.479 20 5 FEBDRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000739008439 602704066 /nfs/dbraw/zinc/70/40/66/602704066.db2.gz HMOIOVMEMNWHCS-LLVKDONJSA-N -1 0 350.375 2.173 20 5 FEBDRM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000739009072 602708421 /nfs/dbraw/zinc/70/84/21/602708421.db2.gz JOZDAHIXUOCCPN-NSHDSACASA-N -1 0 350.375 2.173 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)[O-])C[C@@H]1C ZINC000739048899 602714201 /nfs/dbraw/zinc/71/42/01/602714201.db2.gz WRYNERJSPJIZNN-UWVGGRQHSA-N -1 0 371.777 2.226 20 5 FEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739715076 602720090 /nfs/dbraw/zinc/72/00/90/602720090.db2.gz OQGQFGNBBAMKDH-GFCCVEGCSA-N -1 0 350.375 2.126 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000740048947 602754855 /nfs/dbraw/zinc/75/48/55/602754855.db2.gz JYDNZJZJHRQGOW-RKDXNWHRSA-N -1 0 366.330 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OHFIMZJZGMQAND-WCQYABFASA-N -1 0 356.400 2.228 20 5 FEBDRM Cc1cc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978741 672860629 /nfs/dbraw/zinc/86/06/29/672860629.db2.gz XDQRFHACXGASBA-NVGCLXPQSA-N -1 0 350.371 2.374 20 5 FEBDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1C ZINC000262428798 672915644 /nfs/dbraw/zinc/91/56/44/672915644.db2.gz RMQKZGKQALPSAX-LBPRGKRZSA-N -1 0 352.387 2.493 20 5 FEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263143322 672928801 /nfs/dbraw/zinc/92/88/01/672928801.db2.gz MXYAPXIAIFWPGN-ZDUSSCGKSA-N -1 0 350.371 2.467 20 5 FEBDRM COC[C@@H](CC(C)(C)C)NS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593942590 673013629 /nfs/dbraw/zinc/01/36/29/673013629.db2.gz UNOQEHWDPXCSEV-SNVBAGLBSA-N -1 0 374.415 2.023 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945218 673014295 /nfs/dbraw/zinc/01/42/95/673014295.db2.gz ORWWKSGUVAXHAL-WCFLWFBJSA-N -1 0 370.427 2.317 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000594464771 673077413 /nfs/dbraw/zinc/07/74/13/673077413.db2.gz YJUSUTXMGXCDGC-TVYUQYBPSA-N -1 0 350.371 2.469 20 5 FEBDRM CC(C)[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594465491 673077420 /nfs/dbraw/zinc/07/74/20/673077420.db2.gz BKTRREOMFFKJAZ-KOLCDFICSA-N -1 0 358.778 2.489 20 5 FEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594487912 673090666 /nfs/dbraw/zinc/09/06/66/673090666.db2.gz OFGQDEGRWMXGIT-SKDRFNHKSA-N -1 0 368.333 2.373 20 5 FEBDRM C[C@H](CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000594573021 673099250 /nfs/dbraw/zinc/09/92/50/673099250.db2.gz HFNBXIQWISRTBH-LLVKDONJSA-N -1 0 356.400 2.106 20 5 FEBDRM C[C@H](C[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000594572684 673099274 /nfs/dbraw/zinc/09/92/74/673099274.db2.gz ARSTZIUFRZUGLA-OLZOCXBDSA-N -1 0 370.427 2.247 20 5 FEBDRM C[C@H](C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000594574247 673100208 /nfs/dbraw/zinc/10/02/08/673100208.db2.gz JLJDUMXNMLGQLR-NXEZZACHSA-N -1 0 362.429 2.310 20 5 FEBDRM C[C@@H](C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1)C(=O)[O-] ZINC000594574332 673100228 /nfs/dbraw/zinc/10/02/28/673100228.db2.gz XTBWPRBGBVCXFR-WDEREUQCSA-N -1 0 374.390 2.245 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cncc(OC(C)C)n1 ZINC000594581857 673102583 /nfs/dbraw/zinc/10/25/83/673102583.db2.gz GUGOMJSLYOVIEB-UHFFFAOYSA-N -1 0 366.399 2.590 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C)[C@@H](CC(=O)[O-])C1 ZINC000594672447 673111468 /nfs/dbraw/zinc/11/14/68/673111468.db2.gz LSPLMBWPEWUOFX-GWCFXTLKSA-N -1 0 370.427 2.333 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C)[C@@H](CC(=O)[O-])C1 ZINC000594673323 673111877 /nfs/dbraw/zinc/11/18/77/673111877.db2.gz OPCVJZGKAWSJJA-JQWIXIFHSA-N -1 0 356.400 2.025 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CC3(CCCC3)[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000594673203 673111960 /nfs/dbraw/zinc/11/19/60/673111960.db2.gz FHWBLTILHIYSSN-AWEZNQCLSA-N -1 0 368.411 2.230 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C)[C@H](CC(=O)[O-])C2)cc1C ZINC000594674663 673112541 /nfs/dbraw/zinc/11/25/41/673112541.db2.gz ZVKAIMJBOWUJPN-GXFFZTMASA-N -1 0 370.427 2.333 20 5 FEBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000726314997 673115649 /nfs/dbraw/zinc/11/56/49/673115649.db2.gz YAPLZPCYQDJFIB-UHFFFAOYSA-N -1 0 350.352 2.031 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(n2)OCCO3)c1[N+](=O)[O-] ZINC000594727225 673124388 /nfs/dbraw/zinc/12/43/88/673124388.db2.gz MIZUYDMMJUXWIC-UHFFFAOYSA-N -1 0 365.367 2.179 20 5 FEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000594774470 673138272 /nfs/dbraw/zinc/13/82/72/673138272.db2.gz ZXXORWRGBJFRDR-LBPRGKRZSA-N -1 0 367.358 2.321 20 5 FEBDRM C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000594776138 673138623 /nfs/dbraw/zinc/13/86/23/673138623.db2.gz RYJNETPPDCPCHA-NOZJJQNGSA-N -1 0 369.424 2.032 20 5 FEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cccc21 ZINC000594776487 673138673 /nfs/dbraw/zinc/13/86/73/673138673.db2.gz DRLQGAXMVPCVJP-CYBMUJFWSA-N -1 0 351.359 2.485 20 5 FEBDRM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594780006 673139765 /nfs/dbraw/zinc/13/97/65/673139765.db2.gz VTTLOUPRQOJWST-ZDUSSCGKSA-N -1 0 365.411 2.264 20 5 FEBDRM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)c1 ZINC000594780445 673139774 /nfs/dbraw/zinc/13/97/74/673139774.db2.gz LEMPRMKHHHVGLR-JOCQHMNTSA-N -1 0 363.395 2.223 20 5 FEBDRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729903793 673253235 /nfs/dbraw/zinc/25/32/35/673253235.db2.gz KZSRUPZKFAKKOE-UHFFFAOYSA-N -1 0 371.459 2.401 20 5 FEBDRM O=C([O-])CC1(Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CCC1 ZINC000595969328 673344905 /nfs/dbraw/zinc/34/49/05/673344905.db2.gz ONNOSHUQDUGZES-UHFFFAOYSA-N -1 0 353.350 2.380 20 5 FEBDRM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000731903058 673347012 /nfs/dbraw/zinc/34/70/12/673347012.db2.gz ZQAHGGTZNRLTEX-UHFFFAOYSA-N -1 0 373.774 2.472 20 5 FEBDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000536197709 673363810 /nfs/dbraw/zinc/36/38/10/673363810.db2.gz NPWFNJPMPQNHNI-UHFFFAOYSA-N -1 0 370.408 2.108 20 5 FEBDRM C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000732619412 673375049 /nfs/dbraw/zinc/37/50/49/673375049.db2.gz WRIYUYCZPCAXBS-JTQLQIEISA-N -1 0 370.408 2.067 20 5 FEBDRM C[C@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000732621848 673375283 /nfs/dbraw/zinc/37/52/83/673375283.db2.gz CPSHPOHGAWBIHY-QMMMGPOBSA-N -1 0 374.371 2.068 20 5 FEBDRM CCOc1cccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000732621140 673375394 /nfs/dbraw/zinc/37/53/94/673375394.db2.gz GVIFUGLVISEXNY-UHFFFAOYSA-N -1 0 356.381 2.174 20 5 FEBDRM COC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000536704508 673377506 /nfs/dbraw/zinc/37/75/06/673377506.db2.gz AJQAGLXDYRCNQU-CYBMUJFWSA-N -1 0 354.359 2.400 20 5 FEBDRM C[C@](NC(=O)c1cccc([O-])c1[N+](=O)[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000537286788 673385320 /nfs/dbraw/zinc/38/53/20/673385320.db2.gz YYUNSABZMXOZTL-MRXNPFEDSA-N -1 0 363.757 2.084 20 5 FEBDRM COC(=O)c1ccsc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000537394706 673387724 /nfs/dbraw/zinc/38/77/24/673387724.db2.gz OTXJFJIZVVLKIX-UHFFFAOYSA-N -1 0 372.380 2.252 20 5 FEBDRM CC(C)OC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000733001476 673392979 /nfs/dbraw/zinc/39/29/79/673392979.db2.gz OOVMMADFPHMJPM-UHFFFAOYSA-N -1 0 351.359 2.040 20 5 FEBDRM Cc1ccnc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000733866305 673441073 /nfs/dbraw/zinc/44/10/73/673441073.db2.gz FELANEYRJKLZAE-UHFFFAOYSA-N -1 0 355.759 2.070 20 5 FEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000538700284 673452816 /nfs/dbraw/zinc/45/28/16/673452816.db2.gz AEMKZLTUSNMULQ-UHFFFAOYSA-N -1 0 372.380 2.252 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2scnc2Cl)ccc1[N+](=O)[O-] ZINC000734735239 673471055 /nfs/dbraw/zinc/47/10/55/673471055.db2.gz ADAHFKVJLFOEBQ-UHFFFAOYSA-N -1 0 361.788 2.132 20 5 FEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000597491617 673482198 /nfs/dbraw/zinc/48/21/98/673482198.db2.gz PCMCWBGQGFFYQY-NXEZZACHSA-N -1 0 364.276 2.223 20 5 FEBDRM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000539853390 673509725 /nfs/dbraw/zinc/50/97/25/673509725.db2.gz CMSRGBGBYYQWSM-UHFFFAOYSA-N -1 0 365.367 2.276 20 5 FEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC000539922688 673513321 /nfs/dbraw/zinc/51/33/21/673513321.db2.gz AOEUROWHTWGEQB-UHFFFAOYSA-N -1 0 363.399 2.160 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000598584842 673586905 /nfs/dbraw/zinc/58/69/05/673586905.db2.gz XRVZIXKSCPNUKF-UHFFFAOYSA-N -1 0 356.400 2.087 20 5 FEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000598660022 673594959 /nfs/dbraw/zinc/59/49/59/673594959.db2.gz LFUQDKBMXASZJD-NSHDSACASA-N -1 0 365.411 2.059 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)CCc2ccccc2)n1 ZINC000599229264 673644864 /nfs/dbraw/zinc/64/48/64/673644864.db2.gz AJPPLRLORISPEV-UHFFFAOYSA-N -1 0 352.416 2.018 20 5 FEBDRM COCCCn1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000543658415 673658814 /nfs/dbraw/zinc/65/88/14/673658814.db2.gz ZHHVYBTWZHBAPW-UHFFFAOYSA-N -1 0 368.415 2.245 20 5 FEBDRM CO[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000599518993 673687650 /nfs/dbraw/zinc/68/76/50/673687650.db2.gz VJNQZMGLYHNVFU-WAAGHKOSSA-N -1 0 368.333 2.317 20 5 FEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c[nH]1 ZINC000743252177 673753734 /nfs/dbraw/zinc/75/37/34/673753734.db2.gz OMMDLMGOSUVIAY-UHFFFAOYSA-N -1 0 359.747 2.164 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@H](C)O2)ccc1[N+](=O)[O-] ZINC000744151262 673784340 /nfs/dbraw/zinc/78/43/40/673784340.db2.gz IMXKCMMUBMALGV-NWDGAFQWSA-N -1 0 356.400 2.056 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000600665217 673788932 /nfs/dbraw/zinc/78/89/32/673788932.db2.gz PFKITUXLCBMOPW-GRYCIOLGSA-N -1 0 368.411 2.316 20 5 FEBDRM C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000600700670 673792893 /nfs/dbraw/zinc/79/28/93/673792893.db2.gz JMJYJUQUOLHJKE-ONGXEEELSA-N -1 0 355.778 2.229 20 5 FEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000600878524 673805313 /nfs/dbraw/zinc/80/53/13/673805313.db2.gz WZZVFGJMZWHSNY-GXTWGEPZSA-N -1 0 350.371 2.211 20 5 FEBDRM CC(C)C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000547898487 673900123 /nfs/dbraw/zinc/90/01/23/673900123.db2.gz HKZJXQPSBVFMRQ-ZDUSSCGKSA-N -1 0 372.443 2.194 20 5 FEBDRM Cc1sc(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000547908163 673902832 /nfs/dbraw/zinc/90/28/32/673902832.db2.gz SYVPTSDOMHPSON-UHFFFAOYSA-N -1 0 362.429 2.230 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(C)(C)C ZINC000548202835 673933823 /nfs/dbraw/zinc/93/38/23/673933823.db2.gz ANVHBWPFOPBOQI-LLVKDONJSA-N -1 0 358.416 2.319 20 5 FEBDRM CC(C)(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(=O)[O-] ZINC000548204822 673934112 /nfs/dbraw/zinc/93/41/12/673934112.db2.gz RFWXAOICJHJRIB-VIFPVBQESA-N -1 0 362.379 2.149 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000548223163 673937320 /nfs/dbraw/zinc/93/73/20/673937320.db2.gz DATZPXZIFLMRQI-ZBEGNZNMSA-N -1 0 370.427 2.463 20 5 FEBDRM O=C([O-])[C@@H]1CC[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548244065 673941624 /nfs/dbraw/zinc/94/16/24/673941624.db2.gz GQFWKFCLJVVADE-AXFHLTTASA-N -1 0 374.440 2.453 20 5 FEBDRM O=C([O-])CN(Cc1cccc(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000548561400 673972397 /nfs/dbraw/zinc/97/23/97/673972397.db2.gz PXZPSVXBZUREJF-UHFFFAOYSA-N -1 0 368.342 2.009 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)c1C ZINC000548574063 673974989 /nfs/dbraw/zinc/97/49/89/673974989.db2.gz KZMWUGHOPSUVOE-WBMJQRKESA-N -1 0 368.411 2.087 20 5 FEBDRM O=C([O-])[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548683443 673986528 /nfs/dbraw/zinc/98/65/28/673986528.db2.gz UZQFFZUASBVDSD-NSHDSACASA-N -1 0 370.408 2.021 20 5 FEBDRM O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566280951 675200415 /nfs/dbraw/zinc/20/04/15/675200415.db2.gz LHFXKMWWRDKTPC-GZMMTYOYSA-N -1 0 350.705 2.232 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C(=O)[O-])c1C ZINC000566775308 675241473 /nfs/dbraw/zinc/24/14/73/675241473.db2.gz FPYUIJBQDVVEJZ-AWEZNQCLSA-N -1 0 370.427 2.476 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](C)[C@H](C(=O)[O-])C(C)C)cc([N+](=O)[O-])c1F ZINC000819090423 675259906 /nfs/dbraw/zinc/25/99/06/675259906.db2.gz WMMIKZVXYKHKRQ-JOYOIKCWSA-N -1 0 362.379 2.066 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H](C(=O)[O-])C(C)C)cc([N+](=O)[O-])c1F ZINC000819090422 675259968 /nfs/dbraw/zinc/25/99/68/675259968.db2.gz WMMIKZVXYKHKRQ-CABZTGNLSA-N -1 0 362.379 2.066 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819970485 675328134 /nfs/dbraw/zinc/32/81/34/675328134.db2.gz LRMYJDINCGQAEM-SECBINFHSA-N -1 0 352.734 2.357 20 5 FEBDRM CCc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC000567885557 675332604 /nfs/dbraw/zinc/33/26/04/675332604.db2.gz YXHZWANONPLRPN-ZYHUDNBSSA-N -1 0 356.400 2.031 20 5 FEBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000567960096 675339308 /nfs/dbraw/zinc/33/93/08/675339308.db2.gz TZJDNONSZOABHA-MRXNPFEDSA-N -1 0 370.789 2.364 20 5 FEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cnn3c2OCCC3)ccc1Cl ZINC000821124317 675416192 /nfs/dbraw/zinc/41/61/92/675416192.db2.gz SFKRDZXFAVZQGF-UHFFFAOYSA-N -1 0 358.763 2.028 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccc(C)o1 ZINC000821603394 675442859 /nfs/dbraw/zinc/44/28/59/675442859.db2.gz WKDDNPRUKKVITE-UHFFFAOYSA-N -1 0 353.356 2.047 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000603555916 675799755 /nfs/dbraw/zinc/79/97/55/675799755.db2.gz OYPXPDVYQVCADW-SNVBAGLBSA-N -1 0 370.408 2.459 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c(OC)c1 ZINC000619466341 676377968 /nfs/dbraw/zinc/37/79/68/676377968.db2.gz RCIDRPAMAOLKHA-UHFFFAOYSA-N -1 0 368.367 2.421 20 5 FEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619467827 676378243 /nfs/dbraw/zinc/37/82/43/676378243.db2.gz HTNPUYIUNBNGGW-UHFFFAOYSA-N -1 0 354.340 2.118 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000619471204 676378762 /nfs/dbraw/zinc/37/87/62/676378762.db2.gz JRVQPWXLSVAJAE-NSHDSACASA-N -1 0 372.399 2.011 20 5 FEBDRM COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000761006706 680707357 /nfs/dbraw/zinc/70/73/57/680707357.db2.gz YMJUQKATAXJOGW-UHFFFAOYSA-N -1 0 370.427 2.138 20 5 FEBDRM CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000838866898 680723137 /nfs/dbraw/zinc/72/31/37/680723137.db2.gz HKZRRCADMCMCBG-SECBINFHSA-N -1 0 350.343 2.390 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C)cc2C)ccc1[N+](=O)[O-] ZINC000761433466 680723179 /nfs/dbraw/zinc/72/31/79/680723179.db2.gz XJNHNMRAOIYXQY-UHFFFAOYSA-N -1 0 364.379 2.339 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000761429522 680723261 /nfs/dbraw/zinc/72/32/61/680723261.db2.gz SJSIWVABSMFCLB-MNOVXSKESA-N -1 0 356.400 2.235 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCC1CCC1 ZINC000838932838 680727859 /nfs/dbraw/zinc/72/78/59/680727859.db2.gz CMBXQCLIOWYAFV-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(F)F ZINC000838935783 680728225 /nfs/dbraw/zinc/72/82/25/680728225.db2.gz JUUYPDQQWAZSQM-MRVPVSSYSA-N -1 0 365.358 2.123 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C(C)(Cl)Cl ZINC000838936890 680728380 /nfs/dbraw/zinc/72/83/80/680728380.db2.gz UGGQFBOUZVSCQO-UHFFFAOYSA-N -1 0 370.214 2.025 20 5 FEBDRM CCOCCC1(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000763458755 680783361 /nfs/dbraw/zinc/78/33/61/680783361.db2.gz CEEJVVYYGFDOTR-UHFFFAOYSA-N -1 0 370.427 2.387 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccsc2C(N)=O)c1C ZINC000764536716 680813442 /nfs/dbraw/zinc/81/34/42/680813442.db2.gz WLTYHCFXGAHSAR-UHFFFAOYSA-N -1 0 355.397 2.173 20 5 FEBDRM CC(C)(C)OCCNC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000749107065 680020617 /nfs/dbraw/zinc/02/06/17/680020617.db2.gz SHLRUSXWDPTWSM-INIZCTEOSA-N -1 0 353.375 2.009 20 5 FEBDRM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834270989 680207816 /nfs/dbraw/zinc/20/78/16/680207816.db2.gz JIDJXIRSNHEXKH-NXEZZACHSA-N -1 0 353.375 2.332 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)[N+](=O)[O-] ZINC000835035832 680289151 /nfs/dbraw/zinc/28/91/51/680289151.db2.gz FRKLWQHKISHTBD-UHFFFAOYSA-N -1 0 368.333 2.346 20 5 FEBDRM O=C(C[C@@H]1CC[C@H]2C[C@H]21)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000835109909 680296324 /nfs/dbraw/zinc/29/63/24/680296324.db2.gz SNLVOJHVTOIFJU-LPEHRKFASA-N -1 0 358.803 2.489 20 5 FEBDRM CC(C)(C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000835228395 680308566 /nfs/dbraw/zinc/30/85/66/680308566.db2.gz UJRQERKPEGNOQC-UHFFFAOYSA-N -1 0 364.370 2.265 20 5 FEBDRM CCC1(S(=O)(=O)[N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000835530346 680343784 /nfs/dbraw/zinc/34/37/84/680343784.db2.gz KNEQEULKQHSFOP-UHFFFAOYSA-N -1 0 374.440 2.328 20 5 FEBDRM Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000835593430 680357404 /nfs/dbraw/zinc/35/74/04/680357404.db2.gz YQGJWMQVMMWYFD-OAHLLOKOSA-N -1 0 363.395 2.071 20 5 FEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000835747967 680377620 /nfs/dbraw/zinc/37/76/20/680377620.db2.gz IZYAGZRLBYTCFS-GNCCPOQMSA-N -1 0 350.396 2.243 20 5 FEBDRM Cc1ncc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000755878599 680442306 /nfs/dbraw/zinc/44/23/06/680442306.db2.gz YUZXENPVXJCTRF-SSDOTTSWSA-N -1 0 373.387 2.107 20 5 FEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cnc(C)s2)cc1[N+](=O)[O-] ZINC000755899424 680443717 /nfs/dbraw/zinc/44/37/17/680443717.db2.gz LZOWOVIZWRRKFR-UHFFFAOYSA-N -1 0 355.397 2.041 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000759495492 680652792 /nfs/dbraw/zinc/65/27/92/680652792.db2.gz XZMDYRYSBFZBED-UHFFFAOYSA-N -1 0 367.339 2.454 20 5 FEBDRM COc1ccccc1CS(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000760347776 680683702 /nfs/dbraw/zinc/68/37/02/680683702.db2.gz DHCJYIXZDMVJME-UHFFFAOYSA-N -1 0 364.379 2.172 20 5 FEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912491940 685384796 /nfs/dbraw/zinc/38/47/96/685384796.db2.gz OXXXQUWCWBKRCY-NSHDSACASA-N -1 0 361.320 2.399 20 5 FEBDRM Cc1ccncc1S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000842395666 680943404 /nfs/dbraw/zinc/94/34/04/680943404.db2.gz KDLXGBSSWJVZFL-UHFFFAOYSA-N -1 0 363.395 2.081 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)COCC2CCCC2)cccc1[N+](=O)[O-] ZINC000842403158 680944038 /nfs/dbraw/zinc/94/40/38/680944038.db2.gz HSHJXDHGNVEWIT-UHFFFAOYSA-N -1 0 370.427 2.056 20 5 FEBDRM CC(=O)CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842403675 680944262 /nfs/dbraw/zinc/94/42/62/680944262.db2.gz HUFMSUAQMAGMHG-UHFFFAOYSA-N -1 0 370.427 2.245 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000842404184 680944420 /nfs/dbraw/zinc/94/44/20/680944420.db2.gz OYONUWJYIHWBML-YWVIFJGQSA-N -1 0 352.412 2.285 20 5 FEBDRM CO[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000842404133 680944428 /nfs/dbraw/zinc/94/44/28/680944428.db2.gz OCXPPEXHMGONPL-JSGCOSHPSA-N -1 0 370.427 2.054 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000842404921 680944626 /nfs/dbraw/zinc/94/46/26/680944626.db2.gz BVTLFXRKFGIXPQ-VIFPVBQESA-N -1 0 367.210 2.043 20 5 FEBDRM Cc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000842404731 680944631 /nfs/dbraw/zinc/94/46/31/680944631.db2.gz YGNVSFWVMPEJAJ-UHFFFAOYSA-N -1 0 352.368 2.373 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CC23CCCC3)cccc1[N+](=O)[O-] ZINC000842404957 680944655 /nfs/dbraw/zinc/94/46/55/680944655.db2.gz CWKJDWDINAVXAC-ZDUSSCGKSA-N -1 0 352.412 2.430 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@H]2CC23CCCC3)cccc1[N+](=O)[O-] ZINC000842404956 680944663 /nfs/dbraw/zinc/94/46/63/680944663.db2.gz CWKJDWDINAVXAC-CYBMUJFWSA-N -1 0 352.412 2.430 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H](C)OCCC(C)C)cccc1[N+](=O)[O-] ZINC000842405661 680944792 /nfs/dbraw/zinc/94/47/92/680944792.db2.gz MJNGEULNZKEZOI-CYBMUJFWSA-N -1 0 372.443 2.300 20 5 FEBDRM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842451864 680947787 /nfs/dbraw/zinc/94/77/87/680947787.db2.gz MIBUJOHAPUNVQI-XPUUQOCRSA-N -1 0 352.290 2.075 20 5 FEBDRM CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768866452 680962556 /nfs/dbraw/zinc/96/25/56/680962556.db2.gz RUNDPRRAUOQHEG-UHFFFAOYSA-N -1 0 355.397 2.159 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)n1 ZINC000768985173 680966956 /nfs/dbraw/zinc/96/69/56/680966956.db2.gz QVWHLXBENSSVQS-UHFFFAOYSA-N -1 0 359.367 2.285 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000769310693 680977566 /nfs/dbraw/zinc/97/75/66/680977566.db2.gz BCSRIUYVMXSTGL-WDEREUQCSA-N -1 0 356.400 2.235 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC000843331966 680998610 /nfs/dbraw/zinc/99/86/10/680998610.db2.gz GGEUWXZUNOWZPF-PSASIEDQSA-N -1 0 351.315 2.137 20 5 FEBDRM CC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770776107 681027352 /nfs/dbraw/zinc/02/73/52/681027352.db2.gz SOBHVNXEWGHSBF-UHFFFAOYSA-N -1 0 372.355 2.117 20 5 FEBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000843968385 681029120 /nfs/dbraw/zinc/02/91/20/681029120.db2.gz SADNIWDWMRGELY-NSHDSACASA-N -1 0 362.308 2.278 20 5 FEBDRM O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000771296238 681049666 /nfs/dbraw/zinc/04/96/66/681049666.db2.gz JVDQRSJJTANGNK-UHFFFAOYSA-N -1 0 358.269 2.271 20 5 FEBDRM CS/C=C\C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000771564878 681059878 /nfs/dbraw/zinc/05/98/78/681059878.db2.gz DNFCMVVAYFPXBW-ARJAWSKDSA-N -1 0 350.805 2.238 20 5 FEBDRM O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OCc1ccccc1Cl 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C[S@@](=O)Cc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000485729781 561326803 /nfs/dbraw/zinc/32/68/03/561326803.db2.gz HQOMLAUONJFQNN-RUZDIDTESA-N -1 0 362.363 2.424 20 5 FEBDRM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000186162173 548093078 /nfs/dbraw/zinc/09/30/78/548093078.db2.gz UDFILELGZWYBJQ-GFCCVEGCSA-N -1 0 363.414 2.315 20 5 FEBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000485752002 561327188 /nfs/dbraw/zinc/32/71/88/561327188.db2.gz VBAWYXUIRUMSCE-JTQLQIEISA-N -1 0 357.322 2.050 20 5 FEBDRM O=C([O-])[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000485932515 561332737 /nfs/dbraw/zinc/33/27/37/561332737.db2.gz MVDBMFDKADVDIR-AWEZNQCLSA-N -1 0 357.366 2.066 20 5 FEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)o2)c(C)c([N+](=O)[O-])c1 ZINC000485996965 561334648 /nfs/dbraw/zinc/33/46/48/561334648.db2.gz UXJRCSMYWMHUEN-UHFFFAOYSA-N -1 0 354.340 2.392 20 5 FEBDRM COC(=O)c1ccc(Cl)c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2cccc(C(=O)[O-])c21 ZINC000509167209 561787797 /nfs/dbraw/zinc/78/77/97/561787797.db2.gz TZUSGEFXTFDMOF-UHFFFAOYSA-N -1 0 362.363 2.353 20 5 FEBDRM COC(=O)CCOc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000509799798 561814488 /nfs/dbraw/zinc/81/44/88/561814488.db2.gz RBAUNGCYAZVGSC-UHFFFAOYSA-N -1 0 360.322 2.495 20 5 FEBDRM Cc1noc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000364431441 555312702 /nfs/dbraw/zinc/31/27/02/555312702.db2.gz FJHYKRUCKCHDCU-HNNXBMFYSA-N -1 0 374.378 2.354 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000365064655 555477350 /nfs/dbraw/zinc/47/73/50/555477350.db2.gz IVWXOBWGNSAQCK-UHFFFAOYSA-N -1 0 373.394 2.500 20 5 FEBDRM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000512958265 561920858 /nfs/dbraw/zinc/92/08/58/561920858.db2.gz DVYDYWBWCVPVNK-UHFFFAOYSA-N -1 0 365.367 2.363 20 5 FEBDRM COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000513813925 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Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC(C)(C)[C@H]2C(=O)[O-])c1 ZINC000568361286 568033562 /nfs/dbraw/zinc/03/35/62/568033562.db2.gz CKOOBYWNVWCGKW-CQSZACIVSA-N -1 0 370.427 2.476 20 5 FEBDRM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000568632296 568101015 /nfs/dbraw/zinc/10/10/15/568101015.db2.gz NOWIIOFKPGTJRV-UHFFFAOYSA-N -1 0 362.411 2.430 20 5 FEBDRM O=C([O-])c1ccnc(NCC2(N3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000568986399 568262864 /nfs/dbraw/zinc/26/28/64/568262864.db2.gz MIIBHSNTFZASID-UHFFFAOYSA-N -1 0 364.402 2.135 20 5 FEBDRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000569002600 568263069 /nfs/dbraw/zinc/26/30/69/568263069.db2.gz FDCQGRHVPYRNJI-CABCVRRESA-N -1 0 362.382 2.321 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000569107786 568277730 /nfs/dbraw/zinc/27/77/30/568277730.db2.gz FINGZBCYQIXUBK-MFKMUULPSA-N -1 0 354.384 2.246 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000569107787 568277763 /nfs/dbraw/zinc/27/77/63/568277763.db2.gz FINGZBCYQIXUBK-ZWNOBZJWSA-N -1 0 354.384 2.246 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(CC(F)F)C2CC2)cc1[N+](=O)[O-] ZINC000569217541 568313367 /nfs/dbraw/zinc/31/33/67/568313367.db2.gz HTRYHAYRDNRFNX-UHFFFAOYSA-N -1 0 364.326 2.020 20 5 FEBDRM Cc1noc(C)c1CO[C@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000569608958 568409755 /nfs/dbraw/zinc/40/97/55/568409755.db2.gz QWFGMVHKMRRCSE-NSHDSACASA-N -1 0 362.342 2.088 20 5 FEBDRM CC[C@@H](C)C[C@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000570568403 568487587 /nfs/dbraw/zinc/48/75/87/568487587.db2.gz HZDGJWSLAIIEHY-RNCFNFMXSA-N -1 0 358.416 2.379 20 5 FEBDRM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570804171 568529689 /nfs/dbraw/zinc/52/96/89/568529689.db2.gz MVXLFWQDNZUCDB-ZETCQYMHSA-N -1 0 370.667 2.178 20 5 FEBDRM CCOC(=O)c1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc([N+](=O)[O-])c1 ZINC000573801784 597089998 /nfs/dbraw/zinc/08/99/98/597089998.db2.gz NBRYZBFZGJSAKU-NSHDSACASA-N -1 0 364.354 2.098 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000818778433 597274011 /nfs/dbraw/zinc/27/40/11/597274011.db2.gz HEFASVSGOOSTTJ-AWEZNQCLSA-N -1 0 359.294 2.367 20 5 FEBDRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000094188829 597390691 /nfs/dbraw/zinc/39/06/91/597390691.db2.gz CPZWRQVSWBKUIO-SSDOTTSWSA-N -1 0 358.148 2.296 20 5 FEBDRM COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000578968747 597723705 /nfs/dbraw/zinc/72/37/05/597723705.db2.gz FOWCVSJPBODGFT-ZDUSSCGKSA-N -1 0 359.338 2.421 20 5 FEBDRM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000808128272 674443354 /nfs/dbraw/zinc/44/33/54/674443354.db2.gz MWUMSTBXWTUCNO-UHFFFAOYSA-N -1 0 352.299 2.205 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000808581974 674464080 /nfs/dbraw/zinc/46/40/80/674464080.db2.gz NSQLLTSIEVCXRW-SNVBAGLBSA-N -1 0 369.277 2.122 20 5 FEBDRM COc1ccc(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000538474958 599733009 /nfs/dbraw/zinc/73/30/09/599733009.db2.gz RNDCQPOAPNPEOC-YDHLFZDLSA-N -1 0 362.382 2.390 20 5 FEBDRM C[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736606934 599783504 /nfs/dbraw/zinc/78/35/04/599783504.db2.gz NPODDZPXDKBWOY-ZCFIWIBFSA-N -1 0 356.278 2.021 20 5 FEBDRM O=C([O-])c1sccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000739325591 600020260 /nfs/dbraw/zinc/02/02/60/600020260.db2.gz UQHUOIJEONWHFL-UHFFFAOYSA-N -1 0 368.298 2.289 20 5 FEBDRM CCCc1n[nH]c(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1[N+](=O)[O-] ZINC000737039351 600077564 /nfs/dbraw/zinc/07/75/64/600077564.db2.gz ZIQRWYIDUZGRKP-UHFFFAOYSA-N -1 0 350.331 2.142 20 5 FEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000738963023 600089754 /nfs/dbraw/zinc/08/97/54/600089754.db2.gz FGMKLFKHTRXBNQ-UHFFFAOYSA-N -1 0 363.278 2.129 20 5 FEBDRM CC[C@](NC(=O)COc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000736911402 600132423 /nfs/dbraw/zinc/13/24/23/600132423.db2.gz VUGLOYHOMKPCCT-GOSISDBHSA-N -1 0 358.350 2.480 20 5 FEBDRM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736882928 600174678 /nfs/dbraw/zinc/17/46/78/600174678.db2.gz ISRHTMAWELFSMH-ISVAXAHUSA-N -1 0 372.761 2.021 20 5 FEBDRM O=C([O-])c1cc(NC(=O)CCNC(=O)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000739248572 600191276 /nfs/dbraw/zinc/19/12/76/600191276.db2.gz JGTHXMLZHHEREH-UHFFFAOYSA-N -1 0 363.370 2.318 20 5 FEBDRM C[C@H](OC(=O)CCCNC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000736686364 600198106 /nfs/dbraw/zinc/19/81/06/600198106.db2.gz GHZOJJZFUQVXEX-QMMMGPOBSA-N -1 0 373.749 2.166 20 5 FEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 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O=C([O-])c1cc(OS(=O)(=O)C2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000833300941 601257485 /nfs/dbraw/zinc/25/74/85/601257485.db2.gz QPXUQIHAMQGJFL-UHFFFAOYSA-N -1 0 363.347 2.169 20 5 FEBDRM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000261646266 601257782 /nfs/dbraw/zinc/25/77/82/601257782.db2.gz GZJGOMZVKIFKTP-UHFFFAOYSA-N -1 0 350.780 2.170 20 5 FEBDRM CCC(CC)(CC(=O)OC)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828809979 601308932 /nfs/dbraw/zinc/30/89/32/601308932.db2.gz BXYJNGJSJXDXSO-UHFFFAOYSA-N -1 0 352.343 2.145 20 5 FEBDRM O=C([O-])C[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CCO1 ZINC000833220551 601374494 /nfs/dbraw/zinc/37/44/94/601374494.db2.gz ZXNMYWDTKILGSX-SNVBAGLBSA-N -1 0 353.356 2.005 20 5 FEBDRM C[C@H](NC(=O)c1ccc(N2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827695755 601410217 /nfs/dbraw/zinc/41/02/17/601410217.db2.gz WKUJMVIKRDUOLF-IACUBPJLSA-N -1 0 361.398 2.424 20 5 FEBDRM 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O=C([O-])N1CC[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000740403338 602477774 /nfs/dbraw/zinc/47/77/74/602477774.db2.gz RHKWMCWKFJGLOZ-JTQLQIEISA-N -1 0 362.367 2.200 20 5 FEBDRM CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739345514 602515181 /nfs/dbraw/zinc/51/51/81/602515181.db2.gz MPONFQQYLNOPSG-NSHDSACASA-N -1 0 361.358 2.076 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739933201 602579663 /nfs/dbraw/zinc/57/96/63/602579663.db2.gz MMAYZJHXQWTEFH-NSHDSACASA-N -1 0 352.347 2.210 20 5 FEBDRM O=C([O-])N1CCC[C@@H](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000740447016 602651474 /nfs/dbraw/zinc/65/14/74/602651474.db2.gz ICCQOQBLOHHIQN-AWEZNQCLSA-N -1 0 364.402 2.217 20 5 FEBDRM C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000739010647 602696049 /nfs/dbraw/zinc/69/60/49/602696049.db2.gz PSWYQJAADSYZJX-NSHDSACASA-N -1 0 350.375 2.173 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 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Cc1cccc(OS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000833753489 604529844 /nfs/dbraw/zinc/52/98/44/604529844.db2.gz PGGGLVUSTHLIII-UHFFFAOYSA-N -1 0 367.335 2.134 20 5 FEBDRM Cc1cccc(OS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000833753577 604530255 /nfs/dbraw/zinc/53/02/55/604530255.db2.gz RRPAUBMWOIDQMM-UHFFFAOYSA-N -1 0 351.336 2.298 20 5 FEBDRM CCc1n[nH]c(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000827552441 604583520 /nfs/dbraw/zinc/58/35/20/604583520.db2.gz VOYBOPUHENOWDL-SECBINFHSA-N -1 0 361.358 2.139 20 5 FEBDRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000833211961 604606500 /nfs/dbraw/zinc/60/65/00/604606500.db2.gz PRPPCCFQHPQAFA-MRVPVSSYSA-N -1 0 357.160 2.437 20 5 FEBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])o2)c(OC)c1 ZINC000833732638 604611675 /nfs/dbraw/zinc/61/16/75/604611675.db2.gz XEEPDKYFISINQQ-LLVKDONJSA-N -1 0 364.310 2.151 20 5 FEBDRM Cc1nn(C)c(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1[N+](=O)[O-] ZINC000575320035 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QELGPCTUBIDGMD-UHFFFAOYSA-N -1 0 367.383 2.355 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)Cc1cccs1 ZINC000821603193 675442895 /nfs/dbraw/zinc/44/28/95/675442895.db2.gz NOGBRYGCPNNKRU-UHFFFAOYSA-N -1 0 369.424 2.136 20 5 FEBDRM C[C@]1(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CCOC1 ZINC000827384706 675752305 /nfs/dbraw/zinc/75/23/05/675752305.db2.gz VJYKLWNDHKIVHM-HNNXBMFYSA-N -1 0 366.761 2.048 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000603555915 675799772 /nfs/dbraw/zinc/79/97/72/675799772.db2.gz OYPXPDVYQVCADW-JTQLQIEISA-N -1 0 370.408 2.459 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)ccc1[O-] ZINC000603492978 675799786 /nfs/dbraw/zinc/79/97/86/675799786.db2.gz WEJKWBOWAJHYON-MRXNPFEDSA-N -1 0 364.379 2.063 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)ccc1[O-] ZINC000603911714 675802013 /nfs/dbraw/zinc/80/20/13/675802013.db2.gz XMWFTPGMJZSXFI-UHFFFAOYSA-N -1 0 374.321 2.380 20 5 FEBDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000604408168 675804462 /nfs/dbraw/zinc/80/44/62/675804462.db2.gz MINSYGGWNXPRAT-LLVKDONJSA-N -1 0 370.408 2.459 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000619471256 676378770 /nfs/dbraw/zinc/37/87/70/676378770.db2.gz SEVYWIHBQPHDJI-UHFFFAOYSA-N -1 0 372.399 2.011 20 5 FEBDRM CCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)nc(C)n1 ZINC000619507567 676382771 /nfs/dbraw/zinc/38/27/71/676382771.db2.gz NJQKTVOBDBCKOJ-UHFFFAOYSA-N -1 0 352.372 2.065 20 5 FEBDRM CCOC(=O)c1cnc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[n-]1 ZINC000619865461 676397897 /nfs/dbraw/zinc/39/78/97/676397897.db2.gz XXQNZGZDLWJYBM-UHFFFAOYSA-N -1 0 350.356 2.469 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCc1ccoc1 ZINC000838934697 680728048 /nfs/dbraw/zinc/72/80/48/680728048.db2.gz YOSPMUGMCVNNOS-UHFFFAOYSA-N -1 0 367.383 2.057 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](CC)OCC ZINC000839059592 680734790 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CC(C)(C)C(=O)CCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835157699 680302172 /nfs/dbraw/zinc/30/21/72/680302172.db2.gz ZOWCWIIZKPZWSQ-UHFFFAOYSA-N -1 0 362.429 2.247 20 5 FEBDRM CC(C)(C)C(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000835277846 680313601 /nfs/dbraw/zinc/31/36/01/680313601.db2.gz WQUXTACZESDUIU-UHFFFAOYSA-N -1 0 374.390 2.324 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)c1cccc2ccccc21)[N+](=O)[O-] ZINC000835334423 680320719 /nfs/dbraw/zinc/32/07/19/680320719.db2.gz QKEKKOBJDWPHFI-UHFFFAOYSA-N -1 0 350.396 2.480 20 5 FEBDRM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)C1 ZINC000754675357 680370460 /nfs/dbraw/zinc/37/04/60/680370460.db2.gz RXJJWWNPDSFVBD-MOIHINDBSA-N -1 0 373.818 2.382 20 5 FEBDRM O=C(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OCc1ccc(Cl)cc1 ZINC000756212272 680466748 /nfs/dbraw/zinc/46/67/48/680466748.db2.gz NDRFNWOVTLCTOV-UHFFFAOYSA-N -1 0 364.741 2.427 20 5 FEBDRM COc1cccc(S(=O)(=O)[N-]C(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000756257887 680469553 /nfs/dbraw/zinc/46/95/53/680469553.db2.gz PMOSCFABXPMBIS-UHFFFAOYSA-N -1 0 364.379 2.041 20 5 FEBDRM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000757303899 680521347 /nfs/dbraw/zinc/52/13/47/680521347.db2.gz ITBMKIYAXFSCRO-GZMMTYOYSA-N -1 0 362.791 2.011 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1[N+](=O)[O-] ZINC000758037209 680551474 /nfs/dbraw/zinc/55/14/74/680551474.db2.gz GZIWFLOASKUPTH-UHFFFAOYSA-N -1 0 367.358 2.203 20 5 FEBDRM CC[C@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC000837291105 680582243 /nfs/dbraw/zinc/58/22/43/680582243.db2.gz HBOQVTRSCNPVRT-SECBINFHSA-N -1 0 364.807 2.336 20 5 FEBDRM COc1cc(COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000759112523 680627779 /nfs/dbraw/zinc/62/77/79/680627779.db2.gz WOFLWTHAJHLEPU-UHFFFAOYSA-N -1 0 364.276 2.104 20 5 FEBDRM COc1c(Br)c([N+](=O)[O-])c(N[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000841490734 680886869 /nfs/dbraw/zinc/88/68/69/680886869.db2.gz 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COCCOc1ccc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000409961403 558730281 /nfs/dbraw/zinc/73/02/81/558730281.db2.gz ZTVULDLBNFHAJK-UHFFFAOYSA-N -1 0 374.349 2.248 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(CC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1F ZINC000411970761 558997363 /nfs/dbraw/zinc/99/73/63/558997363.db2.gz HBHJJTHRRSGZLB-UHFFFAOYSA-N -1 0 368.390 2.495 20 5 FEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000412322836 559027696 /nfs/dbraw/zinc/02/76/96/559027696.db2.gz GGWGXHXHQSLGAQ-KBPBESRZSA-N -1 0 373.413 2.393 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC2=CCCCC2)c1 ZINC000414316524 559155872 /nfs/dbraw/zinc/15/58/72/559155872.db2.gz IDUGFTZZNZPPKA-UHFFFAOYSA-N -1 0 354.384 2.462 20 5 FEBDRM CC(C)[C@@H](C(=O)[O-])N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000414670527 559178711 /nfs/dbraw/zinc/17/87/11/559178711.db2.gz ZJTDIOJCJIMZRD-KBPBESRZSA-N -1 0 369.805 2.048 20 5 FEBDRM CC(C)C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000416396286 559309988 /nfs/dbraw/zinc/30/99/88/559309988.db2.gz AZXPLLJDWKAMMI-ZDUSSCGKSA-N -1 0 360.370 2.471 20 5 FEBDRM Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000416446040 559313314 /nfs/dbraw/zinc/31/33/14/559313314.db2.gz NYPPAYHVCKPNOE-HUUCEWRRSA-N -1 0 370.365 2.137 20 5 FEBDRM CCOC[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000417652755 559370436 /nfs/dbraw/zinc/37/04/36/559370436.db2.gz GMGZQJOBXOHYHZ-CQSZACIVSA-N -1 0 364.354 2.443 20 5 FEBDRM Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424367209 559662062 /nfs/dbraw/zinc/66/20/62/559662062.db2.gz KUTALKAMOWGTFG-OTYXRUKQSA-N -1 0 356.400 2.085 20 5 FEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cn2n1 ZINC000430365008 559818641 /nfs/dbraw/zinc/81/86/41/559818641.db2.gz KKNRGUZQHNMRLD-UHFFFAOYSA-N -1 0 361.383 2.364 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)ccc1[N+](=O)[O-] ZINC000431170620 559835464 /nfs/dbraw/zinc/83/54/64/559835464.db2.gz CNIBYNVCEULNPK-UHFFFAOYSA-N -1 0 368.346 2.334 20 5 FEBDRM Cn1ncc([N+](=O)[O-])c1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000431504716 559840411 /nfs/dbraw/zinc/84/04/11/559840411.db2.gz GVWHAPKAESOZCB-UHFFFAOYSA-N -1 0 366.380 2.233 20 5 FEBDRM Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000433382723 559879313 /nfs/dbraw/zinc/87/93/13/559879313.db2.gz PQWBSOAEIZETTH-UHFFFAOYSA-N -1 0 356.342 2.089 20 5 FEBDRM N=c1[n-]nc(CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])o1 ZINC000436425156 559941374 /nfs/dbraw/zinc/94/13/74/559941374.db2.gz NJAICUQGPNOVFK-UHFFFAOYSA-N -1 0 353.338 2.446 20 5 FEBDRM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436674221 559948687 /nfs/dbraw/zinc/94/86/87/559948687.db2.gz UMUGYGOVXQPMRM-UHFFFAOYSA-N -1 0 369.333 2.202 20 5 FEBDRM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436696203 559949107 /nfs/dbraw/zinc/94/91/07/559949107.db2.gz HVTNFFPXEVVFPN-CYBMUJFWSA-N -1 0 373.340 2.365 20 5 FEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ncc(Br)cn1 ZINC000436710550 559949701 /nfs/dbraw/zinc/94/97/01/559949701.db2.gz VWJSHEHUZUKLPP-SSDOTTSWSA-N -1 0 367.159 2.344 20 5 FEBDRM O=C(Nc1nnc(C2CCOCC2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436720986 559950007 /nfs/dbraw/zinc/95/00/07/559950007.db2.gz KQLSQSWARJGNRA-UHFFFAOYSA-N -1 0 350.356 2.298 20 5 FEBDRM CC(C)(C)OC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436779611 559951704 /nfs/dbraw/zinc/95/17/04/559951704.db2.gz XGNIDGMNFUUNPI-UHFFFAOYSA-N -1 0 350.371 2.494 20 5 FEBDRM NC(=O)N1CCCc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc21 ZINC000436814918 559952947 /nfs/dbraw/zinc/95/29/47/559952947.db2.gz IVRWQIOWQBJZLM-UHFFFAOYSA-N -1 0 356.338 2.384 20 5 FEBDRM COC(=O)COc1ccc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436817738 559952960 /nfs/dbraw/zinc/95/29/60/559952960.db2.gz SSTDOSRBHZDGMW-NSHDSACASA-N -1 0 374.349 2.343 20 5 FEBDRM COC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1O ZINC000436816592 559953062 /nfs/dbraw/zinc/95/30/62/559953062.db2.gz SPLLVKHEEDGLRX-UHFFFAOYSA-N -1 0 366.351 2.196 20 5 FEBDRM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1N1CCNC1=O ZINC000436822257 559953270 /nfs/dbraw/zinc/95/32/70/559953270.db2.gz OBGOQOMXFCZOGU-UHFFFAOYSA-N -1 0 356.338 2.391 20 5 FEBDRM CCC(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCOCC1 ZINC000436847127 559954116 /nfs/dbraw/zinc/95/41/16/559954116.db2.gz ZHAABNGDICYYIU-INIZCTEOSA-N -1 0 365.430 2.167 20 5 FEBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1S(C)(=O)=O ZINC000436901727 559956029 /nfs/dbraw/zinc/95/60/29/559956029.db2.gz RRTMXQAZJQYMCE-UHFFFAOYSA-N -1 0 350.352 2.265 20 5 FEBDRM CN(C)C(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436929543 559956763 /nfs/dbraw/zinc/95/67/63/559956763.db2.gz UVWMQDTVQIUPFL-UHFFFAOYSA-N -1 0 358.354 2.324 20 5 FEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cn1 ZINC000439712304 559999141 /nfs/dbraw/zinc/99/91/41/559999141.db2.gz YHOIENZWPKFWAD-UHFFFAOYSA-N -1 0 369.337 2.412 20 5 FEBDRM Cc1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccccc2)n1 ZINC000439870888 560001163 /nfs/dbraw/zinc/00/11/63/560001163.db2.gz HFQJZXOPVCDDNN-UHFFFAOYSA-N -1 0 373.394 2.015 20 5 FEBDRM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1O ZINC000443153856 560072918 /nfs/dbraw/zinc/07/29/18/560072918.db2.gz DYKJKKNDHINLBT-UHFFFAOYSA-N -1 0 372.786 2.441 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)o2)ccc1[N+](=O)[O-] ZINC000444062591 560100422 /nfs/dbraw/zinc/10/04/22/560100422.db2.gz AVWOXKPBRKZMOV-UHFFFAOYSA-N -1 0 366.311 2.047 20 5 FEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c[nH]nc1-c1nccs1 ZINC000446956182 560154149 /nfs/dbraw/zinc/15/41/49/560154149.db2.gz GTCJURCNKGOOPZ-UHFFFAOYSA-N -1 0 351.369 2.242 20 5 FEBDRM Cc1nn(Cc2ccc(C(=O)NCC3(C(=O)[O-])CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000448987115 560210327 /nfs/dbraw/zinc/21/03/27/560210327.db2.gz AJODHGFVLCMFQU-UHFFFAOYSA-N -1 0 372.381 2.051 20 5 FEBDRM Cc1nn(Cc2ccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000449004954 560211475 /nfs/dbraw/zinc/21/14/75/560211475.db2.gz SMHPKLWZMJCNRW-WDEREUQCSA-N -1 0 374.397 2.295 20 5 FEBDRM N=c1[n-]nc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])o1 ZINC000450516609 560264876 /nfs/dbraw/zinc/26/48/76/560264876.db2.gz BNONCDXTGFYTIX-UHFFFAOYSA-N -1 0 354.195 2.221 20 5 FEBDRM CC(C)c1[nH]nc(C(=O)N=c2[n-]c(Cc3ccc(F)cc3)no2)c1[N+](=O)[O-] ZINC000452153596 560354003 /nfs/dbraw/zinc/35/40/03/560354003.db2.gz TZPNJXDPUJEGLH-UHFFFAOYSA-N -1 0 374.332 2.228 20 5 FEBDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccncc3[N+](=O)[O-])cc(Cl)c2O1 ZINC000461109364 560761662 /nfs/dbraw/zinc/76/16/62/560761662.db2.gz BTUFPZMRQBFYQQ-MRVPVSSYSA-N -1 0 369.786 2.189 20 5 FEBDRM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1 ZINC000461108699 560761682 /nfs/dbraw/zinc/76/16/82/560761682.db2.gz RHZQFEWCOQWLHR-UHFFFAOYSA-N -1 0 372.200 2.283 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2cccnc2n1C ZINC000467017465 560901604 /nfs/dbraw/zinc/90/16/04/560901604.db2.gz TWWFVBHEQPPHJJ-UHFFFAOYSA-N -1 0 361.383 2.240 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])cc1C ZINC000530423957 562410580 /nfs/dbraw/zinc/41/05/80/562410580.db2.gz LNGUVDRBXHGTAO-LBPRGKRZSA-N -1 0 356.400 2.133 20 5 FEBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000531787281 562456544 /nfs/dbraw/zinc/45/65/44/562456544.db2.gz IKFLTIORYFXFSZ-CYBMUJFWSA-N -1 0 374.390 2.134 20 5 FEBDRM CN(CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000532005556 562463831 /nfs/dbraw/zinc/46/38/31/562463831.db2.gz LSKFMJTZOFDHHB-UHFFFAOYSA-N -1 0 357.366 2.144 20 5 FEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000532256836 562471821 /nfs/dbraw/zinc/47/18/21/562471821.db2.gz DMNFFBNMTWLLFQ-NSHDSACASA-N -1 0 356.762 2.344 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000533407171 562507581 /nfs/dbraw/zinc/50/75/81/562507581.db2.gz YMFJZZJDAKSUJP-UHFFFAOYSA-N -1 0 350.278 2.446 20 5 FEBDRM O=C(NCc1ccc(Cn2cccn2)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000536893134 562582038 /nfs/dbraw/zinc/58/20/38/562582038.db2.gz LGYHYIYWVCUARL-UHFFFAOYSA-N -1 0 352.350 2.475 20 5 FEBDRM CNc1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000537367826 562589977 /nfs/dbraw/zinc/58/99/77/562589977.db2.gz GGZKODFVFDQIBH-AWEZNQCLSA-N -1 0 357.366 2.310 20 5 FEBDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000541074570 562602163 /nfs/dbraw/zinc/60/21/63/562602163.db2.gz QDUAPTFEOFSHBQ-UHFFFAOYSA-N -1 0 372.380 2.252 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncn(C(C)(C)C)n2)c1C ZINC000541289786 562608101 /nfs/dbraw/zinc/60/81/01/562608101.db2.gz AFSGAQVSRAXQCE-UHFFFAOYSA-N -1 0 353.404 2.359 20 5 FEBDRM Cc1oc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C(=O)[O-] ZINC000541934503 562623718 /nfs/dbraw/zinc/62/37/18/562623718.db2.gz RAXNMDUTLZMYCR-UHFFFAOYSA-N -1 0 368.367 2.290 20 5 FEBDRM C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000568628346 568100885 /nfs/dbraw/zinc/10/08/85/568100885.db2.gz PYVDBQXOTXPVCE-RISCZKNCSA-N -1 0 372.381 2.178 20 5 FEBDRM CC(C)(C(=O)[O-])C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000568869309 568238602 /nfs/dbraw/zinc/23/86/02/568238602.db2.gz WCVZBOOAKIBBDM-UHFFFAOYSA-N -1 0 370.427 2.326 20 5 FEBDRM O=C([O-])c1csc(C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)n1 ZINC000569581641 568408335 /nfs/dbraw/zinc/40/83/35/568408335.db2.gz MHLJKNIPWSAUEB-UHFFFAOYSA-N -1 0 374.382 2.176 20 5 FEBDRM O=C([O-])C1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000562268991 597032431 /nfs/dbraw/zinc/03/24/31/597032431.db2.gz QPXPQVACDSJBEO-UHFFFAOYSA-N -1 0 361.398 2.325 20 5 FEBDRM C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000738964263 597181079 /nfs/dbraw/zinc/18/10/79/597181079.db2.gz AQZDCTPPPXZDKU-ZCFIWIBFSA-N -1 0 352.290 2.295 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000818778443 597218443 /nfs/dbraw/zinc/21/84/43/597218443.db2.gz HYXKCIBTCGEIEE-CYBMUJFWSA-N -1 0 373.321 2.237 20 5 FEBDRM CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)[C@H](C)C(=O)[O-])c1=S ZINC000818357459 597226663 /nfs/dbraw/zinc/22/66/63/597226663.db2.gz OTKYWCNGGTXXOC-SNVBAGLBSA-N -1 0 365.415 2.372 20 5 FEBDRM C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000817772285 597471069 /nfs/dbraw/zinc/47/10/69/597471069.db2.gz RGXLUBCPGDJERP-VIFPVBQESA-N -1 0 364.383 2.062 20 5 FEBDRM COc1cc(C(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000818556023 597484386 /nfs/dbraw/zinc/48/43/86/597484386.db2.gz IIXBRMQUJWZWQB-UHFFFAOYSA-N -1 0 374.305 2.064 20 5 FEBDRM CCC[C@](C)(NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000736959658 599725382 /nfs/dbraw/zinc/72/53/82/599725382.db2.gz SBMHAPWLZRVFCO-LBPRGKRZSA-N -1 0 350.780 2.170 20 5 FEBDRM COc1ccc([C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737973815 599863222 /nfs/dbraw/zinc/86/32/22/599863222.db2.gz SJCMKBUTIXHMNB-KRWDZBQOSA-N -1 0 373.365 2.266 20 5 FEBDRM Cc1c(NC(=O)[C@@H](C)OC(=O)CCCN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738298420 599874599 /nfs/dbraw/zinc/87/45/99/599874599.db2.gz CQFHDKFIBHWRKO-LLVKDONJSA-N -1 0 367.358 2.163 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000539686378 599900364 /nfs/dbraw/zinc/90/03/64/599900364.db2.gz QZIDOSHFTZWFDX-UHFFFAOYSA-N -1 0 360.322 2.110 20 5 FEBDRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000808985070 674477086 /nfs/dbraw/zinc/47/70/86/674477086.db2.gz VDJOYXRLHODQQA-UHFFFAOYSA-N -1 0 371.371 2.278 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C1(C(F)F)CCCC1 ZINC000808985704 674477222 /nfs/dbraw/zinc/47/72/22/674477222.db2.gz MRYASSQLRVSQTD-UHFFFAOYSA-N -1 0 354.356 2.287 20 5 FEBDRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000737849021 599970936 /nfs/dbraw/zinc/97/09/36/599970936.db2.gz JCBOLXGEEVMMEI-AWEZNQCLSA-N -1 0 366.276 2.437 20 5 FEBDRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000737689363 599995126 /nfs/dbraw/zinc/99/51/26/599995126.db2.gz WVKLEXZCOFNXKD-UHFFFAOYSA-N -1 0 362.269 2.471 20 5 FEBDRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000738965413 600020316 /nfs/dbraw/zinc/02/03/16/600020316.db2.gz CTLIXHFKLCVGTR-UHFFFAOYSA-N -1 0 372.293 2.132 20 5 FEBDRM O=C([O-])Cc1cccc(OC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000739890014 600025335 /nfs/dbraw/zinc/02/53/35/600025335.db2.gz WGUUSERMASDMNY-UHFFFAOYSA-N -1 0 368.305 2.022 20 5 FEBDRM O=C([O-])COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000543710793 600072250 /nfs/dbraw/zinc/07/22/50/600072250.db2.gz BUVBCWXKMIVGBK-UHFFFAOYSA-N -1 0 374.305 2.082 20 5 FEBDRM Cc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C(=O)[O-])cc1 ZINC000738558607 600174051 /nfs/dbraw/zinc/17/40/51/600174051.db2.gz DVYVZZSAAAAGRT-AWEZNQCLSA-N -1 0 357.366 2.392 20 5 FEBDRM O=C([O-])CCc1nc(COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC000739769519 600185152 /nfs/dbraw/zinc/18/51/52/600185152.db2.gz RIQUVROFQHIQQG-UHFFFAOYSA-N -1 0 355.690 2.005 20 5 FEBDRM NC(=O)N[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000739166190 600188228 /nfs/dbraw/zinc/18/82/28/600188228.db2.gz FWIKGOKKVMUPTA-CQSZACIVSA-N -1 0 372.337 2.031 20 5 FEBDRM CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736143282 600190900 /nfs/dbraw/zinc/19/09/00/600190900.db2.gz WKNCKFIDOYJQIH-FRKPEAEDSA-N -1 0 369.333 2.409 20 5 FEBDRM CC(C)NC(=O)c1ccc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000736476058 600284092 /nfs/dbraw/zinc/28/40/92/600284092.db2.gz ABUWICHUNWJGPD-CYBMUJFWSA-N -1 0 361.398 2.424 20 5 FEBDRM O=C([O-])c1cc(C(=O)Nc2nncn2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000738672998 600391751 /nfs/dbraw/zinc/39/17/51/600391751.db2.gz OTCXABSKSGYJCO-UHFFFAOYSA-N -1 0 367.321 2.185 20 5 FEBDRM O=C([O-])c1cc(OCCCN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC000327746730 600444425 /nfs/dbraw/zinc/44/44/25/600444425.db2.gz KDCFSBMBZUJNDR-UHFFFAOYSA-N -1 0 370.317 2.358 20 5 FEBDRM O=C([O-])c1cc(OCC(=O)N[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000739328577 600445496 /nfs/dbraw/zinc/44/54/96/600445496.db2.gz LAYSZWPMVDDCOU-CQSZACIVSA-N -1 0 372.333 2.312 20 5 FEBDRM O=C([O-])c1cc(OS(=O)(=O)c2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000740088149 600465261 /nfs/dbraw/zinc/46/52/61/600465261.db2.gz RTAZVJOIIGGDGU-UHFFFAOYSA-N -1 0 359.262 2.339 20 5 FEBDRM O=C([O-])c1cc(OS(=O)(=O)c2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000740088133 600465396 /nfs/dbraw/zinc/46/53/96/600465396.db2.gz RDVLGRUYFVMQPI-UHFFFAOYSA-N -1 0 358.715 2.109 20 5 FEBDRM CC(C)(C)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000736240498 600531059 /nfs/dbraw/zinc/53/10/59/600531059.db2.gz CJTSMJXCDYKVCM-OAHLLOKOSA-N -1 0 363.414 2.427 20 5 FEBDRM COC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000737677005 600542718 /nfs/dbraw/zinc/54/27/18/600542718.db2.gz GXPMXNRFTPPQIQ-UHFFFAOYSA-N -1 0 350.308 2.393 20 5 FEBDRM O=C([O-])c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000739337240 600544847 /nfs/dbraw/zinc/54/48/47/600544847.db2.gz PGOSYQFVNIYMSV-UHFFFAOYSA-N -1 0 361.266 2.219 20 5 FEBDRM O=C([O-])CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000739776167 600628867 /nfs/dbraw/zinc/62/88/67/600628867.db2.gz DKJWSYHLPXQFML-UHFFFAOYSA-N -1 0 356.747 2.369 20 5 FEBDRM Cc1cc(S(=O)(=O)Oc2cc(C=O)ccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000832904540 600731165 /nfs/dbraw/zinc/73/11/65/600731165.db2.gz RAVRMZIVYWRWFW-UHFFFAOYSA-N -1 0 365.319 2.182 20 5 FEBDRM O=C([O-])COc1cccc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000833259016 600772823 /nfs/dbraw/zinc/77/28/23/600772823.db2.gz FJRFGVKSVBCBLG-UHFFFAOYSA-N -1 0 373.365 2.100 20 5 FEBDRM CS[C@H]1CC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000832742026 600823116 /nfs/dbraw/zinc/82/31/16/600823116.db2.gz GNVILSMSQLJCDZ-QWRGUYRKSA-N -1 0 353.400 2.105 20 5 FEBDRM C[C@@H](NC(=O)C(=O)Nc1sccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000827616368 600877185 /nfs/dbraw/zinc/87/71/85/600877185.db2.gz QSLOYTKPMJKIOV-MRVPVSSYSA-N -1 0 363.351 2.170 20 5 FEBDRM COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1C(=O)[O-] ZINC000831428558 600949188 /nfs/dbraw/zinc/94/91/88/600949188.db2.gz PSGOEHVFJMJXBE-UHFFFAOYSA-N -1 0 359.294 2.035 20 5 FEBDRM O=C([O-])CCCNC(=S)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000833227189 600972752 /nfs/dbraw/zinc/97/27/52/600972752.db2.gz BLVWJWSIOKQLJH-UHFFFAOYSA-N -1 0 367.427 2.177 20 5 FEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000826951435 601057825 /nfs/dbraw/zinc/05/78/25/601057825.db2.gz ICFZOGPLRQACEQ-UHFFFAOYSA-N -1 0 361.358 2.318 20 5 FEBDRM O=C([O-])[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1F ZINC000833352729 601068395 /nfs/dbraw/zinc/06/83/95/601068395.db2.gz YVXIGJKFEYPGLV-CQSZACIVSA-N -1 0 363.253 2.445 20 5 FEBDRM Cc1nn(C)c(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC000833012741 601079951 /nfs/dbraw/zinc/07/99/51/601079951.db2.gz FHOLGETWHVPJSE-UHFFFAOYSA-N -1 0 367.387 2.341 20 5 FEBDRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000827828055 601179360 /nfs/dbraw/zinc/17/93/60/601179360.db2.gz UZEMHXDKUHFHJW-QJPTWQEYSA-N -1 0 364.354 2.356 20 5 FEBDRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000827828257 601184889 /nfs/dbraw/zinc/18/48/89/601184889.db2.gz YADQWJQDMQBRMP-SRVKXCTJSA-N -1 0 364.354 2.356 20 5 FEBDRM Cn1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833051848 601314422 /nfs/dbraw/zinc/31/44/22/601314422.db2.gz LFULOYOAMNCFQA-UHFFFAOYSA-N -1 0 358.354 2.484 20 5 FEBDRM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000597158344 601427480 /nfs/dbraw/zinc/42/74/80/601427480.db2.gz CCCXCCMEMNVTMJ-NHYWBVRUSA-N -1 0 350.371 2.474 20 5 FEBDRM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000830145035 601430045 /nfs/dbraw/zinc/43/00/45/601430045.db2.gz LFWNLVACOPFFER-CAVMCXFUSA-N -1 0 368.411 2.103 20 5 FEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000830145041 601430103 /nfs/dbraw/zinc/43/01/03/601430103.db2.gz LFWNLVACOPFFER-GLAPUPDPSA-N -1 0 368.411 2.103 20 5 FEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000833232693 601448205 /nfs/dbraw/zinc/44/82/05/601448205.db2.gz HEGPZOIQVHCPTG-SNVBAGLBSA-N -1 0 356.762 2.344 20 5 FEBDRM O=C([O-])[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592468438 601628110 /nfs/dbraw/zinc/62/81/10/601628110.db2.gz GDFTUWNUWUCEIJ-MRXNPFEDSA-N -1 0 361.398 2.277 20 5 FEBDRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])c(F)c1)n1cc([N+](=O)[O-])cn1 ZINC000826126431 601726419 /nfs/dbraw/zinc/72/64/19/601726419.db2.gz BOXSEJXRIRMGRF-UHFFFAOYSA-N -1 0 351.290 2.107 20 5 FEBDRM O=C([O-])CCC1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000833225226 601798329 /nfs/dbraw/zinc/79/83/29/601798329.db2.gz DOZLAGHFOROWHT-UHFFFAOYSA-N -1 0 361.196 2.088 20 5 FEBDRM NC(=O)c1ccc(CNc2cc(F)c(F)cc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000833084983 601831551 /nfs/dbraw/zinc/83/15/51/601831551.db2.gz CTGFYBJBFDZHDH-UHFFFAOYSA-N -1 0 351.265 2.282 20 5 FEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(NC(=O)[O-])CCCCC1 ZINC000739744173 601916626 /nfs/dbraw/zinc/91/66/26/601916626.db2.gz IIJSPULDLBTVMC-UHFFFAOYSA-N -1 0 350.375 2.337 20 5 FEBDRM O=C([O-])c1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000833315966 601999134 /nfs/dbraw/zinc/99/91/34/601999134.db2.gz MWGUCMMOZQKVRI-UHFFFAOYSA-N -1 0 351.292 2.440 20 5 FEBDRM O=C([O-])c1ccc(COC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000833352271 602008979 /nfs/dbraw/zinc/00/89/79/602008979.db2.gz ALWOXOFUFVCYQM-UHFFFAOYSA-N -1 0 374.334 2.292 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000738997356 602014766 /nfs/dbraw/zinc/01/47/66/602014766.db2.gz BQECHIURKZUVKP-JSGCOSHPSA-N -1 0 364.402 2.434 20 5 FEBDRM O=C([O-])c1ccc(NC(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000833112356 602016001 /nfs/dbraw/zinc/01/60/01/602016001.db2.gz VBENVOTYTVMNTI-UHFFFAOYSA-N -1 0 362.269 2.228 20 5 FEBDRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000739288051 602105306 /nfs/dbraw/zinc/10/53/06/602105306.db2.gz WWWZAWJMABWPFB-KRWDZBQOSA-N -1 0 364.402 2.070 20 5 FEBDRM C[C@@]1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCCS1 ZINC000828107150 602142418 /nfs/dbraw/zinc/14/24/18/602142418.db2.gz RHYFSBDFLZHTSU-HNNXBMFYSA-N -1 0 353.400 2.107 20 5 FEBDRM COc1ccc(C(=O)NCCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000832174734 602313759 /nfs/dbraw/zinc/31/37/59/602313759.db2.gz MLIFTGVDSATNRF-UHFFFAOYSA-N -1 0 373.365 2.452 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740097812 602446305 /nfs/dbraw/zinc/44/63/05/602446305.db2.gz HQQKHQHYRAHNOD-LBPRGKRZSA-N -1 0 364.402 2.210 20 5 FEBDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000738807775 602454921 /nfs/dbraw/zinc/45/49/21/602454921.db2.gz SYZWYJNGPFIPQL-ZDUSSCGKSA-N -1 0 362.386 2.348 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCCCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000558580542 674504645 /nfs/dbraw/zinc/50/46/45/674504645.db2.gz LJOJCWCXMJLCNO-GFCCVEGCSA-N -1 0 356.400 2.311 20 5 FEBDRM O=C([O-])N1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000740413912 602590847 /nfs/dbraw/zinc/59/08/47/602590847.db2.gz FHNTYAKEONYKRO-CYBMUJFWSA-N -1 0 362.386 2.067 20 5 FEBDRM O=C(CCOc1ccccc1[N+](=O)[O-])OCC1CCN(C(=O)[O-])CC1 ZINC000740358579 602671456 /nfs/dbraw/zinc/67/14/56/602671456.db2.gz JKRDEKNTVRIZHD-UHFFFAOYSA-N -1 0 352.343 2.297 20 5 FEBDRM C[C@H](NC(=O)[O-])C1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000739016796 602686593 /nfs/dbraw/zinc/68/65/93/602686593.db2.gz LSJXLMDXJQDKRB-VIFPVBQESA-N -1 0 361.358 2.116 20 5 FEBDRM C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739178185 602832373 /nfs/dbraw/zinc/83/23/73/602832373.db2.gz IVMXMOMRWHVUFG-AOOOYVTPSA-N -1 0 370.793 2.259 20 5 FEBDRM C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)N1C(=O)[O-] ZINC000739191691 602837635 /nfs/dbraw/zinc/83/76/35/602837635.db2.gz QFIXSWNCLGYLLZ-GHMZBOCLSA-N -1 0 361.358 2.217 20 5 FEBDRM CN(C[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1)C(=O)[O-] ZINC000739634848 602860789 /nfs/dbraw/zinc/86/07/89/602860789.db2.gz BGZNQSXSTDAILT-ZDUSSCGKSA-N -1 0 374.401 2.133 20 5 FEBDRM O=C([O-])N[C@@H](C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000740688825 602893593 /nfs/dbraw/zinc/89/35/93/602893593.db2.gz GKFUBTFYHSDVJX-OAHLLOKOSA-N -1 0 373.321 2.085 20 5 FEBDRM C[C@](CNC(=O)[O-])(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000738925252 602983106 /nfs/dbraw/zinc/98/31/06/602983106.db2.gz OJXDWXLOHCZRRO-QGZVFWFLSA-N -1 0 374.353 2.015 20 5 FEBDRM 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2.132 20 5 FEBDRM COc1ccc(CSCC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263061440 328912012 /nfs/dbraw/zinc/91/20/12/328912012.db2.gz YEZSNMPYGFNBOU-SNVBAGLBSA-N -1 0 356.400 2.016 20 5 FEBDRM O=C([O-])[C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000263115991 328916744 /nfs/dbraw/zinc/91/67/44/328916744.db2.gz CEONHEIQYRQBOK-LKFCYVNXSA-N -1 0 374.802 2.124 20 5 FEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C(=O)[O-] ZINC000263126170 328918064 /nfs/dbraw/zinc/91/80/64/328918064.db2.gz FOKKSFYJIIGBGF-GMSGAONNSA-N -1 0 357.160 2.150 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1OC ZINC000263147912 328919874 /nfs/dbraw/zinc/91/98/74/328919874.db2.gz FDSFQVSSWCGQGL-MNOVXSKESA-N -1 0 366.370 2.185 20 5 FEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000263157915 328920670 /nfs/dbraw/zinc/92/06/70/328920670.db2.gz FYAWEJWCILPBQK-SCZZXKLOSA-N -1 0 358.753 2.499 20 5 FEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000263267938 328929404 /nfs/dbraw/zinc/92/94/04/328929404.db2.gz VPFPWWYWUICQKC-VXGBXAGGSA-N -1 0 358.354 2.106 20 5 FEBDRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000263433040 328939277 /nfs/dbraw/zinc/93/92/77/328939277.db2.gz UGYRQIAKGWRTIH-ZDUSSCGKSA-N -1 0 352.391 2.111 20 5 FEBDRM C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](C)C(=O)[O-] ZINC000263450765 328940497 /nfs/dbraw/zinc/94/04/97/328940497.db2.gz OEAKARWJZMBSTR-NTSWFWBYSA-N -1 0 363.139 2.335 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263477969 328942829 /nfs/dbraw/zinc/94/28/29/328942829.db2.gz JXMLCTOVABORMB-BLLLJJGKSA-N -1 0 368.411 2.087 20 5 FEBDRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000264941710 329076581 /nfs/dbraw/zinc/07/65/81/329076581.db2.gz QYGAAKAGSDCHTJ-LLVKDONJSA-N -1 0 351.359 2.040 20 5 FEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1(N2CCOCC2)CCCC1 ZINC000269288741 329504199 /nfs/dbraw/zinc/50/41/99/329504199.db2.gz OVJYSLZRGVSUAT-CYBMUJFWSA-N -1 0 363.414 2.064 20 5 FEBDRM Cn1nc2c(c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCC2 ZINC000270447316 329601645 /nfs/dbraw/zinc/60/16/45/329601645.db2.gz CNDWFCGKYMSBAN-UHFFFAOYSA-N -1 0 356.791 2.271 20 5 FEBDRM CCOC(=O)c1oc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1C ZINC000271144072 329666370 /nfs/dbraw/zinc/66/63/70/329666370.db2.gz GOOPJOCVCAGRRV-UHFFFAOYSA-N -1 0 369.355 2.177 20 5 FEBDRM Cc1cc(=O)c(C(=O)[N-]OC2CCCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000271659801 329712694 /nfs/dbraw/zinc/71/26/94/329712694.db2.gz GOVUSCUTUWOPHQ-UHFFFAOYSA-N -1 0 358.354 2.053 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(c2nncn2C2CC2)CC1 ZINC000272344718 329772408 /nfs/dbraw/zinc/77/24/08/329772408.db2.gz BGEXHUMSLLKNKN-UHFFFAOYSA-N -1 0 357.370 2.247 20 5 FEBDRM CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272392929 329776994 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O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367266550 330238192 /nfs/dbraw/zinc/23/81/92/330238192.db2.gz HOTNHDMOSUNLIZ-LJQANCHMSA-N -1 0 356.378 2.467 20 5 FEBDRM CO[C@@H](C)CN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804839930 674303087 /nfs/dbraw/zinc/30/30/87/674303087.db2.gz AYBUHMLAASDXPI-VIFPVBQESA-N -1 0 368.777 2.246 20 5 FEBDRM Cc1nn(CCC(=O)N=c2ccc(C(F)(F)F)n[n-]2)c(C)c1[N+](=O)[O-] ZINC000484143578 538755257 /nfs/dbraw/zinc/75/52/57/538755257.db2.gz UNCMSEIKYSCTDW-UHFFFAOYSA-N -1 0 358.280 2.246 20 5 FEBDRM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000156020834 545592826 /nfs/dbraw/zinc/59/28/26/545592826.db2.gz OVTGRIJRJYITOA-UHFFFAOYSA-N -1 0 357.363 2.325 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000479120568 561181894 /nfs/dbraw/zinc/18/18/94/561181894.db2.gz MMOLWKDSWAUFJI-UHFFFAOYSA-N -1 0 374.382 2.193 20 5 FEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000481530037 561235320 /nfs/dbraw/zinc/23/53/20/561235320.db2.gz BIPMWUCPPVYESA-KRWDZBQOSA-N -1 0 358.350 2.220 20 5 FEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc([C@@H]2CCCO2)[nH]n1 ZINC000481844723 561243840 /nfs/dbraw/zinc/24/38/40/561243840.db2.gz GQXBBIDRJIIBED-ZDUSSCGKSA-N -1 0 352.372 2.111 20 5 FEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc([C@H]2CCCO2)[nH]n1 ZINC000481844722 561243858 /nfs/dbraw/zinc/24/38/58/561243858.db2.gz GQXBBIDRJIIBED-CYBMUJFWSA-N -1 0 352.372 2.111 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3)o2)s1 ZINC000481874763 561244460 /nfs/dbraw/zinc/24/44/60/561244460.db2.gz MRVYPOXGLXYMQC-UHFFFAOYSA-N -1 0 366.380 2.431 20 5 FEBDRM C[C@](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000180128313 547056884 /nfs/dbraw/zinc/05/68/84/547056884.db2.gz KGVBYZODHVGNOU-MRXNPFEDSA-N -1 0 363.757 2.084 20 5 FEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(-c2ccncc2)[nH]n1 ZINC000183385784 547648278 /nfs/dbraw/zinc/64/82/78/547648278.db2.gz 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CO[C@@H]1C[C@@H](Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000831531905 601830285 /nfs/dbraw/zinc/83/02/85/601830285.db2.gz DPDICAMGFFENSJ-OWYVNGRQSA-N -1 0 365.386 2.023 20 5 FEBDRM COc1ccc(CNC(=O)[C@@H](NC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000739904925 601883871 /nfs/dbraw/zinc/88/38/71/601883871.db2.gz YMHBONABWSSLIC-HNNXBMFYSA-N -1 0 359.338 2.229 20 5 FEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826014213 601927461 /nfs/dbraw/zinc/92/74/61/601927461.db2.gz POTDBSATOUCZIL-BJOHPYRUSA-N -1 0 355.778 2.372 20 5 FEBDRM O=C([O-])c1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000612428881 601994228 /nfs/dbraw/zinc/99/42/28/601994228.db2.gz RPWRGLKSUWVDBH-UHFFFAOYSA-N -1 0 370.770 2.425 20 5 FEBDRM C[C@@H](NC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000738974083 602014816 /nfs/dbraw/zinc/01/48/16/602014816.db2.gz BSBMDULRQPNCGF-VXGBXAGGSA-N -1 0 350.375 2.345 20 5 FEBDRM COc1ccc(CC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739892086 602098536 /nfs/dbraw/zinc/09/85/36/602098536.db2.gz CIYTWAUHNCEYIR-DGCLKSJQSA-N -1 0 365.386 2.041 20 5 FEBDRM O=C([O-])NC1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000740545745 602133182 /nfs/dbraw/zinc/13/31/82/602133182.db2.gz NYABJPLTJWLCFG-UHFFFAOYSA-N -1 0 364.402 2.407 20 5 FEBDRM O=C([O-])N1CCC[C@H](OC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000740719274 602231333 /nfs/dbraw/zinc/23/13/33/602231333.db2.gz GFSHBGRRTFZDDP-ZDUSSCGKSA-N -1 0 360.326 2.080 20 5 FEBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000832887177 602301406 /nfs/dbraw/zinc/30/14/06/602301406.db2.gz DYIMNTJKXXSSLS-UHFFFAOYSA-N -1 0 369.326 2.437 20 5 FEBDRM O=C([O-])c1ccc(NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000833319782 602302884 /nfs/dbraw/zinc/30/28/84/602302884.db2.gz BYQDWPCTXQGBGT-UHFFFAOYSA-N -1 0 359.313 2.433 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC(=O)[O-])C1CCCC1 ZINC000548224648 602326662 /nfs/dbraw/zinc/32/66/62/602326662.db2.gz DKTUVFBHHGXABO-UHFFFAOYSA-N -1 0 356.400 2.230 20 5 FEBDRM CSc1ccc(C(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000740015607 602420229 /nfs/dbraw/zinc/42/02/29/602420229.db2.gz FRYNDHAOUNUJAV-JTQLQIEISA-N -1 0 353.400 2.437 20 5 FEBDRM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000739092199 602429062 /nfs/dbraw/zinc/42/90/62/602429062.db2.gz CAROYJVBQXOQNZ-SJKOYZFVSA-N -1 0 365.386 2.306 20 5 FEBDRM CCCN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCN(C(=O)[O-])C1 ZINC000739364140 602434603 /nfs/dbraw/zinc/43/46/03/602434603.db2.gz QLAFLSOEGPMUOG-LBPRGKRZSA-N -1 0 362.386 2.448 20 5 FEBDRM C[C@@H](NC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000737686346 602542474 /nfs/dbraw/zinc/54/24/74/602542474.db2.gz WFSLPZUFWLWMRW-LLVKDONJSA-N -1 0 350.375 2.440 20 5 FEBDRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000739582695 602590637 /nfs/dbraw/zinc/59/06/37/602590637.db2.gz JYMRRVFCELDWJM-NSHDSACASA-N -1 0 374.353 2.063 20 5 FEBDRM CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344548 602644531 /nfs/dbraw/zinc/64/45/31/602644531.db2.gz SPURDADDHMJUMK-LLVKDONJSA-N -1 0 351.359 2.208 20 5 FEBDRM CN(CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000737999266 602658016 /nfs/dbraw/zinc/65/80/16/602658016.db2.gz ORHJMEKIEKUREM-UHFFFAOYSA-N -1 0 351.340 2.485 20 5 FEBDRM CN(C[C@@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739645061 602670424 /nfs/dbraw/zinc/67/04/24/602670424.db2.gz OBVCVYHGLHKXEE-JTQLQIEISA-N -1 0 361.358 2.070 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000739933297 602718734 /nfs/dbraw/zinc/71/87/34/602718734.db2.gz OXGUQILHPUXEAR-SNVBAGLBSA-N -1 0 352.347 2.115 20 5 FEBDRM COC(=O)c1cc(C(=O)Oc2cccc(CNC(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000739776781 602729681 /nfs/dbraw/zinc/72/96/81/602729681.db2.gz FGBGOOOLRFDEHC-UHFFFAOYSA-N -1 0 374.305 2.368 20 5 FEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000740623337 602790493 /nfs/dbraw/zinc/79/04/93/602790493.db2.gz FGGYBEXGQNGMPV-MFKMUULPSA-N -1 0 369.349 2.055 20 5 FEBDRM C[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000738981568 602821875 /nfs/dbraw/zinc/82/18/75/602821875.db2.gz UYHSYNBRPAOMSY-COPLHBTASA-N -1 0 350.375 2.343 20 5 FEBDRM O=C([O-])N1CCC[C@H]1COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000740721501 602913480 /nfs/dbraw/zinc/91/34/80/602913480.db2.gz OEUYYDCRFPAZHA-ZDUSSCGKSA-N -1 0 363.370 2.494 20 5 FEBDRM Cc1ccc(NCCCNC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000740138801 603009904 /nfs/dbraw/zinc/00/99/04/603009904.db2.gz CFKJZYRNUZUTMD-QWHCGFSZSA-N -1 0 364.402 2.258 20 5 FEBDRM C[C@@](CNC(=O)[O-])(NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000738923748 603011415 /nfs/dbraw/zinc/01/14/15/603011415.db2.gz FXRIJUGSWVDCSN-HNNXBMFYSA-N -1 0 355.778 2.343 20 5 FEBDRM CN(C(=O)[O-])C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000737931095 603011496 /nfs/dbraw/zinc/01/14/96/603011496.db2.gz VMXHVGGFHUHWDL-UHFFFAOYSA-N -1 0 355.778 2.392 20 5 FEBDRM COc1ccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000739884064 603030223 /nfs/dbraw/zinc/03/02/23/603030223.db2.gz HDFSEZOCZQPTBZ-CYBMUJFWSA-N -1 0 359.338 2.342 20 5 FEBDRM COc1ccc(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000739884067 603030534 /nfs/dbraw/zinc/03/05/34/603030534.db2.gz HDFSEZOCZQPTBZ-ZDUSSCGKSA-N -1 0 359.338 2.342 20 5 FEBDRM Cc1c(C(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000740039647 603092755 /nfs/dbraw/zinc/09/27/55/603092755.db2.gz HHQUXIFBGCYYJC-GWCFXTLKSA-N -1 0 351.359 2.136 20 5 FEBDRM Cc1sc(C(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])cc1[N+](=O)[O-] ZINC000740282604 603095450 /nfs/dbraw/zinc/09/54/50/603095450.db2.gz XIGSXHKIZJCIBZ-GMSGAONNSA-N -1 0 357.388 2.198 20 5 FEBDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739200981 603104140 /nfs/dbraw/zinc/10/41/40/603104140.db2.gz BUFHIKJTDIAZTK-SKDRFNHKSA-N -1 0 352.347 2.220 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000825609609 603108059 /nfs/dbraw/zinc/10/80/59/603108059.db2.gz BIWGQWMXWGXUIB-ONGXEEELSA-N -1 0 371.777 2.274 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000830432935 603138908 /nfs/dbraw/zinc/13/89/08/603138908.db2.gz NQCPSUJFXIIPJS-DGCLKSJQSA-N -1 0 371.415 2.008 20 5 FEBDRM O=C([O-])NCCCC(=O)OCc1ccc([N+](=O)[O-])cc1Br ZINC000739974937 603175317 /nfs/dbraw/zinc/17/53/17/603175317.db2.gz LAMVADBODKRNJJ-UHFFFAOYSA-N -1 0 361.148 2.448 20 5 FEBDRM O=C([O-])N1CC[C@@H](CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000831874003 603188543 /nfs/dbraw/zinc/18/85/43/603188543.db2.gz CWSLIYJFGFYOEK-LLVKDONJSA-N -1 0 364.358 2.353 20 5 FEBDRM CN(CCCNC(=O)[O-])C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000739677468 603190127 /nfs/dbraw/zinc/19/01/27/603190127.db2.gz XRRKEAHJRXNUNN-UHFFFAOYSA-N -1 0 364.383 2.448 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000740151351 603217025 /nfs/dbraw/zinc/21/70/25/603217025.db2.gz AQCPPIBIAWCFJA-GXFFZTMASA-N -1 0 351.359 2.136 20 5 FEBDRM CNc1ccc(C(=O)N[C@@](C)(CNC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000739755231 603223953 /nfs/dbraw/zinc/22/39/53/603223953.db2.gz IPVIMTOCPGAEMA-MRXNPFEDSA-N -1 0 352.391 2.439 20 5 FEBDRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000739233835 603231857 /nfs/dbraw/zinc/23/18/57/603231857.db2.gz ODOFMLCVLLPMHA-PELKAZGASA-N -1 0 353.331 2.002 20 5 FEBDRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000739233836 603231868 /nfs/dbraw/zinc/23/18/68/603231868.db2.gz ODOFMLCVLLPMHA-PRHODGIISA-N -1 0 353.331 2.002 20 5 FEBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000740620266 603305793 /nfs/dbraw/zinc/30/57/93/603305793.db2.gz HLHFUEYVTYAZRK-GWCFXTLKSA-N -1 0 353.400 2.239 20 5 FEBDRM C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1NC(=O)[O-] ZINC000739192439 603412456 /nfs/dbraw/zinc/41/24/56/603412456.db2.gz QYVJAZUOYBVFBF-MFKMUULPSA-N -1 0 361.358 2.123 20 5 FEBDRM O=C([O-])N[C@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000832103861 603527161 /nfs/dbraw/zinc/52/71/61/603527161.db2.gz AXJLBFOBQKPESF-HNNXBMFYSA-N -1 0 357.366 2.480 20 5 FEBDRM Cc1cc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000830095105 603556539 /nfs/dbraw/zinc/55/65/39/603556539.db2.gz CDAIVNYEOWXUIC-NWDGAFQWSA-N -1 0 373.369 2.464 20 5 FEBDRM CC(C)[C@@H](CCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)NC(=O)[O-] ZINC000824098417 603557487 /nfs/dbraw/zinc/55/74/87/603557487.db2.gz HLXKNEQQMCRXPO-GFCCVEGCSA-N -1 0 363.374 2.225 20 5 FEBDRM CC[C@H](NC(=O)NCCN(C(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000826613923 603644972 /nfs/dbraw/zinc/64/49/72/603644972.db2.gz UZCSICDRJUDBPV-AWEZNQCLSA-N -1 0 350.375 2.488 20 5 FEBDRM Cc1ccc([C@H](C)NC(=O)N[C@H](CNC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000830256928 603698466 /nfs/dbraw/zinc/69/84/66/603698466.db2.gz NXHPMCSEUWMGTH-GXFFZTMASA-N -1 0 350.375 2.310 20 5 FEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827931327 603714420 /nfs/dbraw/zinc/71/44/20/603714420.db2.gz ARDOUUJNRFACPK-ZDUSSCGKSA-N -1 0 362.386 2.019 20 5 FEBDRM CSCC[C@H](NC(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000829729653 603716506 /nfs/dbraw/zinc/71/65/06/603716506.db2.gz HRBCKICIKOYEEX-NSHDSACASA-N -1 0 361.807 2.254 20 5 FEBDRM O=C([O-])Nc1ccc(C(=O)OCCn2ccc([N+](=O)[O-])n2)c(Cl)c1 ZINC000832838744 603772346 /nfs/dbraw/zinc/77/23/46/603772346.db2.gz LYCNXAYTADPAKQ-UHFFFAOYSA-N -1 0 354.706 2.392 20 5 FEBDRM O=C([O-])N[C@H]1CCC[C@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000832332821 603870025 /nfs/dbraw/zinc/87/00/25/603870025.db2.gz OKZLYNVBPLQZHE-RYUDHWBXSA-N -1 0 352.343 2.343 20 5 FEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828407049 603883397 /nfs/dbraw/zinc/88/33/97/603883397.db2.gz NOGGTZBILPVXLW-AGUYFDCRSA-N -1 0 362.386 2.410 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)[O-])CC2(C)C)cc1[N+](=O)[O-] ZINC000829889355 603953389 /nfs/dbraw/zinc/95/33/89/603953389.db2.gz QJLLXXNPHYNHFO-UHFFFAOYSA-N -1 0 366.330 2.026 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2CN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829889168 604000099 /nfs/dbraw/zinc/00/00/99/604000099.db2.gz OJVBHCSAIQFTPQ-NSHDSACASA-N -1 0 366.330 2.026 20 5 FEBDRM O=C([O-])NCCCOC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000832625219 604122258 /nfs/dbraw/zinc/12/22/58/604122258.db2.gz LREGJAYBZGUKFX-UHFFFAOYSA-N -1 0 366.374 2.265 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830138354 604196909 /nfs/dbraw/zinc/19/69/09/604196909.db2.gz SQURNODPYFRITQ-CHWSQXEVSA-N -1 0 364.402 2.210 20 5 FEBDRM 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ZINC000780292207 681811713 /nfs/dbraw/zinc/81/17/13/681811713.db2.gz ALOHPMCNOCMPLC-HIFRSBDPSA-N -1 0 370.427 2.136 20 5 FEBDRM CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000780618723 681852966 /nfs/dbraw/zinc/85/29/66/681852966.db2.gz DLAVQWOWNBMGOJ-LBPRGKRZSA-N -1 0 370.427 2.131 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2OC(C)(C)C)cc([N+](=O)[O-])c1C ZINC000850732600 681951177 /nfs/dbraw/zinc/95/11/77/681951177.db2.gz BVOBOUIVFBTBJZ-TZMCWYRMSA-N -1 0 370.427 2.220 20 5 FEBDRM CO[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000850886029 681974154 /nfs/dbraw/zinc/97/41/54/681974154.db2.gz NVARNXYJNDWHRG-ZYHUDNBSSA-N -1 0 374.390 2.134 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCC(F)(F)C1 ZINC000850886479 681974959 /nfs/dbraw/zinc/97/49/59/681974959.db2.gz WUSMNNYWEFPJQR-QMMMGPOBSA-N -1 0 366.317 2.364 20 5 FEBDRM O=C(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000781836012 681978241 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0 366.326 2.055 20 5 FEBDRM CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000783386592 682139833 /nfs/dbraw/zinc/13/98/33/682139833.db2.gz XAMDTZPUKVCMSZ-UHFFFAOYSA-N -1 0 362.363 2.225 20 5 FEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1C ZINC000916754415 685527460 /nfs/dbraw/zinc/52/74/60/685527460.db2.gz JLTKMDFLGJFHHN-UHFFFAOYSA-N -1 0 371.802 2.322 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccnc1C1CC1 ZINC000784835777 682255399 /nfs/dbraw/zinc/25/53/99/682255399.db2.gz WIXLIMFKVHYDFD-UHFFFAOYSA-N -1 0 365.342 2.125 20 5 FEBDRM Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000784873841 682257582 /nfs/dbraw/zinc/25/75/82/682257582.db2.gz RITWPMGUQVZLGR-UHFFFAOYSA-N -1 0 365.367 2.196 20 5 FEBDRM COc1cccc(CS(=O)(=O)[N-]C(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000785128233 682275577 /nfs/dbraw/zinc/27/55/77/682275577.db2.gz FKXAHSUIONPIMX-UHFFFAOYSA-N -1 0 364.379 2.172 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1F ZINC000789474047 682607818 /nfs/dbraw/zinc/60/78/18/682607818.db2.gz AJYUJWTWBYMNIQ-UHFFFAOYSA-N -1 0 356.306 2.300 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000789478775 682608591 /nfs/dbraw/zinc/60/85/91/682608591.db2.gz JAARSLDROKSBJX-DGCLKSJQSA-N -1 0 370.427 2.303 20 5 FEBDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000789486042 682609316 /nfs/dbraw/zinc/60/93/16/682609316.db2.gz NANHQNUSJSYFQV-CYBMUJFWSA-N -1 0 360.457 2.486 20 5 FEBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2F)cc([N+](=O)[O-])c1C ZINC000791766052 682764874 /nfs/dbraw/zinc/76/48/74/682764874.db2.gz DGQNBJACFZHDOP-UHFFFAOYSA-N -1 0 368.342 2.170 20 5 FEBDRM Cc1csc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1Cl ZINC000791828119 682769131 /nfs/dbraw/zinc/76/91/31/682769131.db2.gz QLRGWYSODCDFKK-UHFFFAOYSA-N -1 0 361.788 2.132 20 5 FEBDRM C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000856376074 682772271 /nfs/dbraw/zinc/77/22/71/682772271.db2.gz ITBFJAIUOGNLBY-JTQLQIEISA-N -1 0 353.375 2.286 20 5 FEBDRM CCOC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000793121647 682865446 /nfs/dbraw/zinc/86/54/46/682865446.db2.gz HMFDCFXBPAOOGB-UHFFFAOYSA-N -1 0 356.400 2.057 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000794861236 683000188 /nfs/dbraw/zinc/00/01/88/683000188.db2.gz RFCMKFHDRICRSG-UHFFFAOYSA-N -1 0 354.388 2.356 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CC2 ZINC000795628376 683074647 /nfs/dbraw/zinc/07/46/47/683074647.db2.gz QFCJAGBIKIGQJK-UHFFFAOYSA-N -1 0 363.395 2.397 20 5 FEBDRM C[C@]1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCOC1 ZINC000795832356 683096368 /nfs/dbraw/zinc/09/63/68/683096368.db2.gz FZDOMGDKJSYPIR-GFCCVEGCSA-N -1 0 352.771 2.092 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)c1 ZINC000795850017 683097785 /nfs/dbraw/zinc/09/77/85/683097785.db2.gz DNLHKQDBAMWOHX-LBPRGKRZSA-N -1 0 374.777 2.399 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CC2(CCO)CCC2)c1 ZINC000795889486 683104423 /nfs/dbraw/zinc/10/44/23/683104423.db2.gz OLQMKIDKFWOQTD-UHFFFAOYSA-N -1 0 366.798 2.218 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC(=O)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000796608811 683177414 /nfs/dbraw/zinc/17/74/14/683177414.db2.gz QCAYZZLIRLLDKU-VXGBXAGGSA-N -1 0 368.411 2.022 20 5 FEBDRM CC[C@H](C)[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796609774 683177589 /nfs/dbraw/zinc/17/75/89/683177589.db2.gz BFRNMTIVSUOTHT-UFBFGSQYSA-N -1 0 364.807 2.114 20 5 FEBDRM C[C@H]1C(=O)CC[C@H]1CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000796662698 683182600 /nfs/dbraw/zinc/18/26/00/683182600.db2.gz DLFVCYOLKDBYIJ-BDAKNGLRSA-N -1 0 374.802 2.058 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000796719246 683189621 /nfs/dbraw/zinc/18/96/21/683189621.db2.gz DAUMLJJAOZYOMC-DTWKUNHWSA-N -1 0 366.317 2.378 20 5 FEBDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)o1 ZINC000796879754 683203382 /nfs/dbraw/zinc/20/33/82/683203382.db2.gz ZLWPTXZYVZTUHB-UHFFFAOYSA-N -1 0 359.385 2.024 20 5 FEBDRM CN([C@@H](CC(C)(C)C)C(=O)[O-])S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000798410177 683343660 /nfs/dbraw/zinc/34/36/60/683343660.db2.gz OJOHYIPWYVRAMZ-VIFPVBQESA-N -1 0 350.418 2.166 20 5 FEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000861139159 683350023 /nfs/dbraw/zinc/35/00/23/683350023.db2.gz CPUIVSQEUDLQQO-MSKHEQNASA-N -1 0 368.411 2.012 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000861161599 683360120 /nfs/dbraw/zinc/36/01/20/683360120.db2.gz KWLIZXZKCWAWFB-ZETCQYMHSA-N -1 0 366.317 2.081 20 5 FEBDRM O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000861551424 683434131 /nfs/dbraw/zinc/43/41/31/683434131.db2.gz BOYBQZRPDVVDTC-MRVPVSSYSA-N -1 0 351.750 2.092 20 5 FEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000864209071 683815340 /nfs/dbraw/zinc/81/53/40/683815340.db2.gz UBRLTJHVCIFTFF-ZAQLIGFBSA-N -1 0 350.396 2.445 20 5 FEBDRM O=C([O-])CS[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000864220327 683818560 /nfs/dbraw/zinc/81/85/60/683818560.db2.gz DOEFUQZKWAZGJT-SECBINFHSA-N -1 0 352.290 2.073 20 5 FEBDRM Cc1cccc(C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)c1[N+](=O)[O-] ZINC000864220719 683818669 /nfs/dbraw/zinc/81/86/69/683818669.db2.gz GUQUGFJTMUKSSR-SECBINFHSA-N -1 0 366.317 2.382 20 5 FEBDRM COc1cc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000866284192 684088380 /nfs/dbraw/zinc/08/83/80/684088380.db2.gz LZBLXPQNXPMKTI-ZDUSSCGKSA-N -1 0 365.283 2.390 20 5 FEBDRM C[C@@H]1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C(=O)[O-])O1 ZINC000901910883 690713001 /nfs/dbraw/zinc/71/30/01/690713001.db2.gz RLJXFWFNTCAQNV-HZGVNTEJSA-N -1 0 365.205 2.093 20 5 FEBDRM CC(C)(CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCOCC1 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CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000058388139 212008151 /nfs/dbraw/zinc/00/81/51/212008151.db2.gz YCYNLUXHDUAEOZ-UHFFFAOYSA-N -1 0 367.358 2.035 20 5 FEBDRM O=C(OCCC1(O)CC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000801386678 674125153 /nfs/dbraw/zinc/12/51/53/674125153.db2.gz IWJOUMAYYSQWTC-UHFFFAOYSA-N -1 0 367.745 2.211 20 5 FEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000021028119 211302567 /nfs/dbraw/zinc/30/25/67/211302567.db2.gz PLLPPFHHSWSYOB-UHFFFAOYSA-N -1 0 355.306 2.206 20 5 FEBDRM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000115313504 543559515 /nfs/dbraw/zinc/55/95/15/543559515.db2.gz MSFZCYJDHPGXBP-QFIPXVFZSA-N -1 0 354.409 2.274 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c([N+](=O)[O-])c1 ZINC000117739177 543639172 /nfs/dbraw/zinc/63/91/72/543639172.db2.gz ZNJVKGQFTODRBL-QFIPXVFZSA-N -1 0 354.409 2.441 20 5 FEBDRM CCC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000127592282 544001965 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Cc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000519681323 562139733 /nfs/dbraw/zinc/13/97/33/562139733.db2.gz IFNJWTQBKKCITO-CORIIIEPSA-N -1 0 365.386 2.143 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCC(C)(C)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000520323853 562153500 /nfs/dbraw/zinc/15/35/00/562153500.db2.gz MKZPLQNNUSKUDQ-CYBMUJFWSA-N -1 0 356.400 2.167 20 5 FEBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@]2(CCCOC2)O1 ZINC000373697245 557740474 /nfs/dbraw/zinc/74/04/74/557740474.db2.gz QHJFHIJABIIZHA-DYVFJYSZSA-N -1 0 350.371 2.101 20 5 FEBDRM C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C[C@H](C)O2 ZINC000373742903 557749668 /nfs/dbraw/zinc/74/96/68/557749668.db2.gz GDGFHZVQYUUMDH-BWACUDIHSA-N -1 0 350.371 2.099 20 5 FEBDRM Cc1cccc(N2CCC(NC(=O)c3cccc([O-])c3[N+](=O)[O-])CC2)n1 ZINC000373839692 557770703 /nfs/dbraw/zinc/77/07/03/557770703.db2.gz RQNVSWUZGUCXAB-UHFFFAOYSA-N -1 0 356.382 2.403 20 5 FEBDRM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375866159 558091133 /nfs/dbraw/zinc/09/11/33/558091133.db2.gz LFGCATULCUTAOV-OLZOCXBDSA-N -1 0 361.398 2.211 20 5 FEBDRM COc1ccccc1N1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000376063314 558121429 /nfs/dbraw/zinc/12/14/29/558121429.db2.gz ZRBDNBRDBSZQRL-GFCCVEGCSA-N -1 0 357.366 2.318 20 5 FEBDRM CCc1cc(N2CCC(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)ncn1 ZINC000377822377 558426817 /nfs/dbraw/zinc/42/68/17/558426817.db2.gz BALWBFKHKRGCPS-UHFFFAOYSA-N -1 0 371.397 2.052 20 5 FEBDRM COc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000378473688 558565607 /nfs/dbraw/zinc/56/56/07/558565607.db2.gz JHDHMRMPAVJZBU-CQSZACIVSA-N -1 0 356.334 2.428 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000387606960 558608156 /nfs/dbraw/zinc/60/81/56/558608156.db2.gz XMVKXSCBEQMXDE-LBPRGKRZSA-N -1 0 358.416 2.413 20 5 FEBDRM O=C(NCc1ccn(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000390367233 558611175 /nfs/dbraw/zinc/61/11/75/558611175.db2.gz AOOIJWHAHCQUJQ-UHFFFAOYSA-N -1 0 352.350 2.475 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000392468136 558617801 /nfs/dbraw/zinc/61/78/01/558617801.db2.gz BYIWWEOTNBIROK-JQWIXIFHSA-N -1 0 356.400 2.085 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)c([N+](=O)[O-])c1 ZINC000410332328 558751577 /nfs/dbraw/zinc/75/15/77/558751577.db2.gz IWRBGTNBRFHLHL-UHFFFAOYSA-N -1 0 373.394 2.344 20 5 FEBDRM Cc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000526997704 562272516 /nfs/dbraw/zinc/27/25/16/562272516.db2.gz AXCYXEYKUKHYSD-UHFFFAOYSA-N -1 0 362.363 2.353 20 5 FEBDRM CC(C)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000414350375 559157939 /nfs/dbraw/zinc/15/79/39/559157939.db2.gz UNBPSKLYVIOIFY-LBPRGKRZSA-N -1 0 356.400 2.350 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2nnc([C@@H]3CCCO3)o2)c(C)cc1[N+](=O)[O-] ZINC000414454544 559164844 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IIEGVBIVKFNENO-LKFCYVNXSA-N -1 0 355.778 2.372 20 5 FEBDRM CCC(CC)(CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000424437951 559664932 /nfs/dbraw/zinc/66/49/32/559664932.db2.gz JWEUQWALPQBQEJ-UHFFFAOYSA-N -1 0 365.386 2.157 20 5 FEBDRM COC(=O)c1cc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1OC ZINC000427920497 559765357 /nfs/dbraw/zinc/76/53/57/559765357.db2.gz CPQYLRBVFIXPDH-UHFFFAOYSA-N -1 0 360.322 2.026 20 5 FEBDRM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428040019 559768163 /nfs/dbraw/zinc/76/81/63/559768163.db2.gz UNKQWOYNTAIUPN-UHFFFAOYSA-N -1 0 364.379 2.406 20 5 FEBDRM CN(c1c(F)cccc1F)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432182444 559853552 /nfs/dbraw/zinc/85/35/52/559853552.db2.gz NIOIZFCVFXHHQN-UHFFFAOYSA-N -1 0 372.305 2.396 20 5 FEBDRM C[C@@H](O)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000433360076 559878487 /nfs/dbraw/zinc/87/84/87/559878487.db2.gz DZLXWEYLFDJNKD-SSDOTTSWSA-N -1 0 357.215 2.341 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c([N+](=O)[O-])n1 ZINC000435730702 559928925 /nfs/dbraw/zinc/92/89/25/559928925.db2.gz ZJDYIGOZBADNOO-UHFFFAOYSA-N -1 0 360.779 2.274 20 5 FEBDRM NC(=O)c1cc(-c2csc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)c[nH]1 ZINC000436636038 559947375 /nfs/dbraw/zinc/94/73/75/559947375.db2.gz WTJUYFUMECLVDO-UHFFFAOYSA-N -1 0 373.350 2.103 20 5 FEBDRM CN(C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436668760 559948388 /nfs/dbraw/zinc/94/83/88/559948388.db2.gz FLSZGAOVSNLXMX-UHFFFAOYSA-N -1 0 358.354 2.324 20 5 FEBDRM COc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc(Cl)cc1C(N)=O ZINC000436731820 559950373 /nfs/dbraw/zinc/95/03/73/559950373.db2.gz QVMUWPBPMWCSPP-UHFFFAOYSA-N -1 0 365.729 2.314 20 5 FEBDRM COC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000436775270 559951586 /nfs/dbraw/zinc/95/15/86/559951586.db2.gz PMUYUIBPICLYHU-ZDUSSCGKSA-N -1 0 362.313 2.474 20 5 FEBDRM O=C(Nc1cccnc1N1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436783541 559951947 /nfs/dbraw/zinc/95/19/47/559951947.db2.gz MONXEVGICPVCFV-UHFFFAOYSA-N -1 0 372.381 2.156 20 5 FEBDRM Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)n2)c1 ZINC000436827730 559953356 /nfs/dbraw/zinc/95/33/56/559953356.db2.gz ODSJDSAVOQYOSV-SNVBAGLBSA-N -1 0 368.353 2.280 20 5 FEBDRM CCC(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCOCC1 ZINC000436847128 559954103 /nfs/dbraw/zinc/95/41/03/559954103.db2.gz ZHAABNGDICYYIU-MRXNPFEDSA-N -1 0 365.430 2.167 20 5 FEBDRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436867915 559954958 /nfs/dbraw/zinc/95/49/58/559954958.db2.gz FYJKRCBQCMCNNE-HNNXBMFYSA-N -1 0 356.334 2.041 20 5 FEBDRM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436894310 559955463 /nfs/dbraw/zinc/95/54/63/559955463.db2.gz QMVIGSLEUGWNDK-ZDUSSCGKSA-N -1 0 368.386 2.167 20 5 FEBDRM CC(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1C(N)=O ZINC000436932991 559956831 /nfs/dbraw/zinc/95/68/31/559956831.db2.gz RSMKYRSOEBHKFE-UHFFFAOYSA-N -1 0 359.338 2.439 20 5 FEBDRM CN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436949579 559957301 /nfs/dbraw/zinc/95/73/01/559957301.db2.gz LEABNALMFMBFKI-AWEZNQCLSA-N -1 0 357.366 2.250 20 5 FEBDRM CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nnc2ccccn21 ZINC000436960668 559957564 /nfs/dbraw/zinc/95/75/64/559957564.db2.gz HSKCGBPPFZYQOG-OAHLLOKOSA-N -1 0 355.354 2.470 20 5 FEBDRM COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Cc1cccc(C)c1 ZINC000436968759 559957968 /nfs/dbraw/zinc/95/79/68/559957968.db2.gz VHBGDZRPEOGMTH-AWEZNQCLSA-N -1 0 372.377 2.371 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c([N+](=O)[O-])n1 ZINC000438811974 559984066 /nfs/dbraw/zinc/98/40/66/559984066.db2.gz QWHFLBAWLWVPSD-UHFFFAOYSA-N -1 0 362.371 2.002 20 5 FEBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 ZINC000439884240 560001269 /nfs/dbraw/zinc/00/12/69/560001269.db2.gz WQEFXMILMWZFEQ-UHFFFAOYSA-N -1 0 373.394 2.015 20 5 FEBDRM 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COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000013305573 601481332 /nfs/dbraw/zinc/48/13/32/601481332.db2.gz UWFAWQOZOJJYHL-UHFFFAOYSA-N -1 0 353.308 2.069 20 5 FEBDRM COc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000831871300 601535756 /nfs/dbraw/zinc/53/57/56/601535756.db2.gz LZQWNTZNLLJEOI-SECBINFHSA-N -1 0 374.296 2.188 20 5 FEBDRM Cc1cc(CN2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)on1 ZINC000580957159 601544144 /nfs/dbraw/zinc/54/41/44/601544144.db2.gz MORPGZQBPGMKOW-UHFFFAOYSA-N -1 0 360.370 2.220 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc(F)c1F ZINC000833307218 601566692 /nfs/dbraw/zinc/56/66/92/601566692.db2.gz KPSAOVTVDVJTEX-UHFFFAOYSA-N -1 0 359.262 2.339 20 5 FEBDRM C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000828393686 601693251 /nfs/dbraw/zinc/69/32/51/601693251.db2.gz JVTZETKBIJPWKC-XVKPBYJWSA-N -1 0 357.160 2.150 20 5 FEBDRM O=C([O-])[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000833124063 601753543 /nfs/dbraw/zinc/75/35/43/601753543.db2.gz HIEDSQVGRCEIMF-CQSZACIVSA-N -1 0 350.327 2.087 20 5 FEBDRM C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@@H]1C(=O)[O-] ZINC000828369113 601782027 /nfs/dbraw/zinc/78/20/27/601782027.db2.gz JGSBPLRRGAFYQT-APPZFPTMSA-N -1 0 359.285 2.381 20 5 FEBDRM O=C([O-])c1cccc(N2CC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000833329973 601867620 /nfs/dbraw/zinc/86/76/20/601867620.db2.gz KMZHRVSITHCGBB-UHFFFAOYSA-N -1 0 355.306 2.262 20 5 FEBDRM COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000739904498 601883915 /nfs/dbraw/zinc/88/39/15/601883915.db2.gz VJVAKBHCHDENPV-AWEZNQCLSA-N -1 0 373.365 2.099 20 5 FEBDRM Cc1c(C(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000740036502 601892430 /nfs/dbraw/zinc/89/24/30/601892430.db2.gz LVAIJCQPKDRBBU-SNVBAGLBSA-N -1 0 366.330 2.026 20 5 FEBDRM Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047860 601973106 /nfs/dbraw/zinc/97/31/06/601973106.db2.gz WVTLLJLNILBOIC-OLZOCXBDSA-N -1 0 364.402 2.304 20 5 FEBDRM Cc1nn(CCC(=O)OCc2ccc(C(=O)[O-])s2)c(C)c1[N+](=O)[O-] ZINC000833015575 602007240 /nfs/dbraw/zinc/00/72/40/602007240.db2.gz IVCQEQVKJHOXSX-UHFFFAOYSA-N -1 0 353.356 2.301 20 5 FEBDRM CN(C[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739639028 602132695 /nfs/dbraw/zinc/13/26/95/602132695.db2.gz CILBGIMMQQLYAK-CQSZACIVSA-N -1 0 364.402 2.169 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000740148402 602270106 /nfs/dbraw/zinc/27/01/06/602270106.db2.gz SANQYCBOKIWZCN-WCQYABFASA-N -1 0 371.415 2.103 20 5 FEBDRM CCOc1ncnc2c1CN(c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CC2 ZINC000830125262 602315968 /nfs/dbraw/zinc/31/59/68/602315968.db2.gz ABQHSVRXBAELJL-UHFFFAOYSA-N -1 0 358.354 2.353 20 5 FEBDRM Cc1cc(N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578631079 602318519 /nfs/dbraw/zinc/31/85/19/602318519.db2.gz 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C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000739050464 602579901 /nfs/dbraw/zinc/57/99/01/602579901.db2.gz CUFLBVYWEHFHHO-ZYHUDNBSSA-N -1 0 353.400 2.334 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739933625 602723005 /nfs/dbraw/zinc/72/30/05/602723005.db2.gz PKQWMLNSYJFEQY-UHFFFAOYSA-N -1 0 367.339 2.185 20 5 FEBDRM CCCCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825268390 607583594 /nfs/dbraw/zinc/58/35/94/607583594.db2.gz ULYUWOFMSRJOOU-JTQLQIEISA-N -1 0 368.419 2.022 20 5 FEBDRM Cc1c(NC(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000740047419 602782442 /nfs/dbraw/zinc/78/24/42/602782442.db2.gz UGTCQSUMBMTWAN-DRZSPHRISA-N -1 0 364.402 2.208 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000739931097 602812323 /nfs/dbraw/zinc/81/23/23/602812323.db2.gz COBSKPPYIDXCPM-ZWNOBZJWSA-N -1 0 351.359 2.254 20 5 FEBDRM O=C([O-])N1CCCC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000740392240 602813977 /nfs/dbraw/zinc/81/39/77/602813977.db2.gz HCWMXRPQERIUSZ-ZDUSSCGKSA-N -1 0 362.386 2.431 20 5 FEBDRM CCCN(C(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000826863240 602861572 /nfs/dbraw/zinc/86/15/72/602861572.db2.gz ZCZKKMPMFBNTMI-CYBMUJFWSA-N -1 0 364.402 2.022 20 5 FEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000738867000 602889890 /nfs/dbraw/zinc/88/98/90/602889890.db2.gz UMENFWONATYPGA-NSHDSACASA-N -1 0 352.343 2.425 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1 ZINC000740152854 602911648 /nfs/dbraw/zinc/91/16/48/602911648.db2.gz OFWBLMNSTOKJBY-GXFFZTMASA-N -1 0 351.359 2.136 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000739934207 602939682 /nfs/dbraw/zinc/93/96/82/602939682.db2.gz UPUWAVIDKPKKCZ-JTQLQIEISA-N -1 0 352.347 2.257 20 5 FEBDRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740630631 602973277 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CCNc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000739466234 603435800 /nfs/dbraw/zinc/43/58/00/603435800.db2.gz NHQROIPZPMMPRH-VXGBXAGGSA-N -1 0 350.375 2.193 20 5 FEBDRM Cc1nn(CCC(=O)O[C@H]2CCCC[C@@H]2CNC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000830870354 603456789 /nfs/dbraw/zinc/45/67/89/603456789.db2.gz HSLYHNUISSMUFC-OLZOCXBDSA-N -1 0 368.390 2.168 20 5 FEBDRM CCC(CC)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)NC(=O)[O-] ZINC000826561410 603478354 /nfs/dbraw/zinc/47/83/54/603478354.db2.gz YLGQLHBGJQSLLN-UHFFFAOYSA-N -1 0 359.404 2.008 20 5 FEBDRM C[C@@H](COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)NC(=O)[O-] ZINC000824996414 603609757 /nfs/dbraw/zinc/60/97/57/603609757.db2.gz VIHLWGWSGZZGNY-NSHDSACASA-N -1 0 351.359 2.398 20 5 FEBDRM C[C@H]1CCCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)[O-] ZINC000825904397 603675179 /nfs/dbraw/zinc/67/51/79/603675179.db2.gz FUIZJIWFDURTNL-JSGCOSHPSA-N -1 0 365.386 2.258 20 5 FEBDRM O=C([O-])N[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000832366104 603705954 /nfs/dbraw/zinc/70/59/54/603705954.db2.gz QGWDLMKCEFDHPJ-JTQLQIEISA-N -1 0 356.766 2.190 20 5 FEBDRM C[C@@H](NC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000825140115 603714503 /nfs/dbraw/zinc/71/45/03/603714503.db2.gz DJSNPCPCPWKYRV-BXUZGUMPSA-N -1 0 350.375 2.440 20 5 FEBDRM C[C@@H](NC(=O)N1CCC[C@H]1CN(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000825140118 603714737 /nfs/dbraw/zinc/71/47/37/603714737.db2.gz DJSNPCPCPWKYRV-RISCZKNCSA-N -1 0 350.375 2.440 20 5 FEBDRM CSCC[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000829731912 603825923 /nfs/dbraw/zinc/82/59/23/603825923.db2.gz SMRJHGCOHPDPDZ-PWSUYJOCSA-N -1 0 355.416 2.470 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000832551368 603827920 /nfs/dbraw/zinc/82/79/20/603827920.db2.gz LXGYRYSZRPHHOK-HNNXBMFYSA-N -1 0 364.402 2.359 20 5 FEBDRM C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)NC(=O)[O-] ZINC000824721499 603971014 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(NC(=O)[O-])CC2)c1C ZINC000830428091 604766781 /nfs/dbraw/zinc/76/67/81/604766781.db2.gz RLTVJDRHNLVDEB-UHFFFAOYSA-N -1 0 371.415 2.069 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000833539173 604846461 /nfs/dbraw/zinc/84/64/61/604846461.db2.gz LHTZMOHQDIYRPO-RTHLEPHNSA-N -1 0 374.802 2.092 20 5 FEBDRM CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])CC1 ZINC000833570740 605021799 /nfs/dbraw/zinc/02/17/99/605021799.db2.gz CVUIFFDUXPVQOH-UHFFFAOYSA-N -1 0 368.411 2.149 20 5 FEBDRM CC[C@H](C)[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000833637147 605061283 /nfs/dbraw/zinc/06/12/83/605061283.db2.gz CKEFRJHRQFHFGY-LKFCYVNXSA-N -1 0 353.331 2.051 20 5 FEBDRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC000833775812 605071182 /nfs/dbraw/zinc/07/11/82/605071182.db2.gz RPXCZWBDNMZHHP-INIZCTEOSA-N -1 0 369.333 2.354 20 5 FEBDRM 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CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000833681733 605444907 /nfs/dbraw/zinc/44/49/07/605444907.db2.gz HQQNEKMLYJEXID-VIFPVBQESA-N -1 0 368.367 2.488 20 5 FEBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000834186589 605491892 /nfs/dbraw/zinc/49/18/92/605491892.db2.gz ZSGWORFQFWLDPZ-IYYTYJHQSA-N -1 0 369.324 2.381 20 5 FEBDRM O=C([O-])N[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000834179453 605493961 /nfs/dbraw/zinc/49/39/61/605493961.db2.gz LHAIQEQGCLNYRX-OASPWFOLSA-N -1 0 351.334 2.242 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000833815772 605494429 /nfs/dbraw/zinc/49/44/29/605494429.db2.gz HPXXIMFHJFSJTD-JGVFFNPUSA-N -1 0 359.180 2.235 20 5 FEBDRM O=C([O-])N1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000834024919 605526182 /nfs/dbraw/zinc/52/61/82/605526182.db2.gz BPKHGWZRPWVTCQ-SECBINFHSA-N -1 0 373.312 2.316 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833907091 605537968 /nfs/dbraw/zinc/53/79/68/605537968.db2.gz AQDXYQGCDFCZOZ-QWHCGFSZSA-N -1 0 365.386 2.177 20 5 FEBDRM O=C([O-])N1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000834030316 605548189 /nfs/dbraw/zinc/54/81/89/605548189.db2.gz OMQAGHNZATVECM-MRVPVSSYSA-N -1 0 372.175 2.087 20 5 FEBDRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000834149284 605605840 /nfs/dbraw/zinc/60/58/40/605605840.db2.gz CUYNFUQAMUKVCA-MRXNPFEDSA-N -1 0 357.366 2.132 20 5 FEBDRM CCOc1ccc(-c2nc([C@H]3COCCN3C(=O)[O-])no2)cc1[N+](=O)[O-] ZINC000833862230 605706631 /nfs/dbraw/zinc/70/66/31/605706631.db2.gz GJQUZZCNASPAEK-LLVKDONJSA-N -1 0 364.314 2.095 20 5 FEBDRM O=C([O-])N1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000739386825 605709971 /nfs/dbraw/zinc/70/99/71/605709971.db2.gz FWTDJCVBDWZELJ-ZDUSSCGKSA-N -1 0 362.386 2.067 20 5 FEBDRM Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H]2CCCCCN2C(=O)[O-])no1 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SQXMFYKXCGNLSW-ZDUSSCGKSA-N -1 0 370.365 2.296 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000559595468 674549133 /nfs/dbraw/zinc/54/91/33/674549133.db2.gz QZXJEPDXETUTPR-AWEZNQCLSA-N -1 0 370.427 2.476 20 5 FEBDRM O=c1[nH]c2cccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])c2[nH]1 ZINC000811718180 674623087 /nfs/dbraw/zinc/62/30/87/674623087.db2.gz LTGSFIXBRUIJHZ-UHFFFAOYSA-N -1 0 352.303 2.117 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000562321087 674741180 /nfs/dbraw/zinc/74/11/80/674741180.db2.gz FROLQYWIGOUVJW-NSHDSACASA-N -1 0 358.416 2.461 20 5 FEBDRM O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563196661 674857153 /nfs/dbraw/zinc/85/71/53/674857153.db2.gz YTQHEILRVJCJJA-LLVKDONJSA-N -1 0 370.789 2.412 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2csc(N3CCCC3)n2)n1 ZINC000563208115 674858170 /nfs/dbraw/zinc/85/81/70/674858170.db2.gz PLXMFBLFBOYZCW-UHFFFAOYSA-N -1 0 363.399 2.399 20 5 FEBDRM 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Cc1ccc(S(=O)(=O)N2CCCC[C@]2(C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598584406 673586497 /nfs/dbraw/zinc/58/64/97/673586497.db2.gz LPJNSXHFQXETGT-OAHLLOKOSA-N -1 0 356.400 2.230 20 5 FEBDRM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598584739 673586608 /nfs/dbraw/zinc/58/66/08/673586608.db2.gz UHFXJUZOWVDMJB-VXGBXAGGSA-N -1 0 356.400 2.085 20 5 FEBDRM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599265233 673650695 /nfs/dbraw/zinc/65/06/95/673650695.db2.gz JTUSRJPULTXTQU-LLVKDONJSA-N -1 0 370.456 2.178 20 5 FEBDRM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CO2 ZINC000599374568 673665943 /nfs/dbraw/zinc/66/59/43/673665943.db2.gz IIZSJYZKOWDGOQ-NSHDSACASA-N -1 0 366.370 2.324 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000543857720 673674957 /nfs/dbraw/zinc/67/49/57/673674957.db2.gz JLMWLRZZDJKQPR-UHFFFAOYSA-N -1 0 366.351 2.191 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1C ZINC000614376910 676171979 /nfs/dbraw/zinc/17/19/79/676171979.db2.gz HTLPGVBYBZHIEJ-CYBMUJFWSA-N -1 0 370.427 2.477 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])c1C ZINC000614381779 676172445 /nfs/dbraw/zinc/17/24/45/676172445.db2.gz LPOBVMQDICHRKS-CYBMUJFWSA-N -1 0 356.400 2.230 20 5 FEBDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000744083955 673781591 /nfs/dbraw/zinc/78/15/91/673781591.db2.gz FLNOASAAFCVOAH-ZJUUUORDSA-N -1 0 371.371 2.134 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)n1 ZINC000600638884 673784686 /nfs/dbraw/zinc/78/46/86/673784686.db2.gz JSFLLEJDNYGGPH-UHFFFAOYSA-N -1 0 366.399 2.451 20 5 FEBDRM Cc1c([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cccc1C(F)(F)F ZINC000600654367 673786189 /nfs/dbraw/zinc/78/61/89/673786189.db2.gz YULLUUUONSQXJT-UHFFFAOYSA-N -1 0 364.305 2.456 20 5 FEBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CCCC1 ZINC000600657367 673786926 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ZINC000819089979 675259632 /nfs/dbraw/zinc/25/96/32/675259632.db2.gz XQLSWRHENMRVHH-QPUJVOFHSA-N -1 0 364.807 2.272 20 5 FEBDRM O=C(NC[C@@H](CO)c1ccccc1Cl)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000567138359 675270125 /nfs/dbraw/zinc/27/01/25/675270125.db2.gz MMYJOFQIQIUHMI-NSHDSACASA-N -1 0 350.758 2.460 20 5 FEBDRM CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000567356745 675286710 /nfs/dbraw/zinc/28/67/10/675286710.db2.gz UVIMZTRNEULILC-QWHCGFSZSA-N -1 0 356.400 2.079 20 5 FEBDRM O=C(NCCCN1CCCCC1=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567615278 675306807 /nfs/dbraw/zinc/30/68/07/675306807.db2.gz SAYDRCRMMMVMHF-UHFFFAOYSA-N -1 0 355.778 2.086 20 5 FEBDRM CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000567885776 675332629 /nfs/dbraw/zinc/33/26/29/675332629.db2.gz BXUCXLCVOIOCRH-YGRLFVJLSA-N -1 0 356.400 2.031 20 5 FEBDRM CC(=O)N[C@@H](C)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000567950363 675338342 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CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](CCC)OC ZINC000839063351 680735119 /nfs/dbraw/zinc/73/51/19/680735119.db2.gz LHBOQVWHQCNWCX-ZDUSSCGKSA-N -1 0 373.431 2.037 20 5 FEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C ZINC000839076142 680736159 /nfs/dbraw/zinc/73/61/59/680736159.db2.gz AXVZYYDPRGUYHL-ZYHUDNBSSA-N -1 0 355.416 2.268 20 5 FEBDRM NC(=O)c1sccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000764535262 680813425 /nfs/dbraw/zinc/81/34/25/680813425.db2.gz LZYGBUYKXBAINU-UHFFFAOYSA-N -1 0 361.788 2.209 20 5 FEBDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000764604519 680816489 /nfs/dbraw/zinc/81/64/89/680816489.db2.gz HBOLFQFVXLLRHS-LLVKDONJSA-N -1 0 373.387 2.380 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]N=c1nc[nH]c2ccsc21 ZINC000765134164 680832076 /nfs/dbraw/zinc/83/20/76/680832076.db2.gz BEKZIDCEBGAQQC-UHFFFAOYSA-N -1 0 369.359 2.044 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc2c(n1)CCCC2 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1COc2ccc(F)cc21 ZINC000466540719 560889167 /nfs/dbraw/zinc/88/91/67/560889167.db2.gz PFUPOPCKZUBIPZ-LBPRGKRZSA-N -1 0 352.343 2.454 20 5 FEBDRM CC(C)(C)n1cnc(=NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000466883005 560898437 /nfs/dbraw/zinc/89/84/37/560898437.db2.gz YZQIKRLFWZQTIH-UHFFFAOYSA-N -1 0 352.782 2.916 20 5 FEBDRM Cc1sc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1[N+](=O)[O-] ZINC000466957769 560900498 /nfs/dbraw/zinc/90/04/98/560900498.db2.gz MLLOETVYCMNYGM-UHFFFAOYSA-N -1 0 359.360 2.004 20 5 FEBDRM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000468513718 560931986 /nfs/dbraw/zinc/93/19/86/560931986.db2.gz DOWFNRKDZKHAMS-UHFFFAOYSA-N -1 0 350.352 2.491 20 5 FEBDRM COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(C)c1 ZINC000469132266 560948053 /nfs/dbraw/zinc/94/80/53/560948053.db2.gz WSCPCNHZJZDNAD-HNNXBMFYSA-N -1 0 362.313 2.392 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000472434280 561026434 /nfs/dbraw/zinc/02/64/34/561026434.db2.gz VIVDZZKOYJEMAE-UHFFFAOYSA-N -1 0 354.388 2.326 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000474414814 561073559 /nfs/dbraw/zinc/07/35/59/561073559.db2.gz VSYXVNMNIIEELE-UHFFFAOYSA-N -1 0 353.747 2.320 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)cnc1OC ZINC000476435262 561119330 /nfs/dbraw/zinc/11/93/30/561119330.db2.gz XFPSFDICQJVMTF-UHFFFAOYSA-N -1 0 353.356 2.116 20 5 FEBDRM COc1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1F ZINC000476906808 561131760 /nfs/dbraw/zinc/13/17/60/561131760.db2.gz RLTYTRVKXAPAOZ-UHFFFAOYSA-N -1 0 372.349 2.403 20 5 FEBDRM Cc1nn(Cc2ccc(C(=O)N[C@H](C(=O)[O-])C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000532259978 562471831 /nfs/dbraw/zinc/47/18/31/562471831.db2.gz QMLKAZIPPKVVEN-HNNXBMFYSA-N -1 0 372.381 2.049 20 5 FEBDRM O=C([O-])Cc1cccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000532689995 562485695 /nfs/dbraw/zinc/48/56/95/562485695.db2.gz LLUMBRSNWDPPAU-UHFFFAOYSA-N 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568414396 /nfs/dbraw/zinc/41/43/96/568414396.db2.gz WSCUSJSHAMOKKX-ZDUSSCGKSA-N -1 0 365.386 2.243 20 5 FEBDRM Cc1cc(N2CCN(Cc3ccncc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569977092 568445585 /nfs/dbraw/zinc/44/55/85/568445585.db2.gz GOAFDIWCJDIOSI-UHFFFAOYSA-N -1 0 356.382 2.319 20 5 FEBDRM COc1ncccc1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000570130769 568453091 /nfs/dbraw/zinc/45/30/91/568453091.db2.gz XKYYGGNTOUDVSL-UHFFFAOYSA-N -1 0 371.802 2.173 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(=O)[O-])c1ccccc1 ZINC000818566582 597366653 /nfs/dbraw/zinc/36/66/53/597366653.db2.gz LYGNSQFLNAIYRW-UHFFFAOYSA-N -1 0 359.338 2.133 20 5 FEBDRM Cc1cc(C(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000818787796 597484309 /nfs/dbraw/zinc/48/43/09/597484309.db2.gz AMXXQGGQNFDGJB-UHFFFAOYSA-N -1 0 358.306 2.363 20 5 FEBDRM C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000820114111 598173652 /nfs/dbraw/zinc/17/36/52/598173652.db2.gz KENYHHGHIWUGAG-JTQLQIEISA-N -1 0 357.322 2.109 20 5 FEBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1[N+](=O)[O-] ZINC000808126125 674443053 /nfs/dbraw/zinc/44/30/53/674443053.db2.gz UDBRHDVKZDTFQG-UHFFFAOYSA-N -1 0 354.365 2.436 20 5 FEBDRM COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C(=O)[O-])cc1 ZINC000557999827 599763350 /nfs/dbraw/zinc/76/33/50/599763350.db2.gz CCKXMGQJYVDJPV-OAHLLOKOSA-N -1 0 360.322 2.168 20 5 FEBDRM CNC(=O)c1cc([N+](=O)[O-])ccc1NCCOc1ccc(C(=O)[O-])cc1 ZINC000737544438 599922672 /nfs/dbraw/zinc/92/26/72/599922672.db2.gz JDZCKNBHWSDUBN-UHFFFAOYSA-N -1 0 359.338 2.144 20 5 FEBDRM CCOC(=O)c1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc([N+](=O)[O-])c1 ZINC000737148336 599924642 /nfs/dbraw/zinc/92/46/42/599924642.db2.gz KTLOEIAJQLQSGK-JTQLQIEISA-N -1 0 364.354 2.097 20 5 FEBDRM O=C([O-])c1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1O ZINC000739484701 599947256 /nfs/dbraw/zinc/94/72/56/599947256.db2.gz ZIMCXSZBIYIBOH-UHFFFAOYSA-N -1 0 368.305 2.437 20 5 FEBDRM O=C([O-])Cc1cccc(OS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000739891071 600016106 /nfs/dbraw/zinc/01/61/06/600016106.db2.gz BIDAOGVEBDKJMQ-UHFFFAOYSA-N -1 0 355.299 2.129 20 5 FEBDRM O=C([O-])c1cccc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000740217193 600020696 /nfs/dbraw/zinc/02/06/96/600020696.db2.gz SJQHFSMQYKOMPB-HNNXBMFYSA-N -1 0 370.317 2.255 20 5 FEBDRM Cc1cccc(C[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC000738704922 600064725 /nfs/dbraw/zinc/06/47/25/600064725.db2.gz XEXVGIOYVBCPRE-HNNXBMFYSA-N -1 0 372.377 2.342 20 5 FEBDRM CCCc1n[nH]c(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000737039356 600118802 /nfs/dbraw/zinc/11/88/02/600118802.db2.gz ZPDFWXWWVKGVGQ-GFCCVEGCSA-N -1 0 360.370 2.177 20 5 FEBDRM O=C([O-])/C=C\c1ccc(NCc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000739624488 600167848 /nfs/dbraw/zinc/16/78/48/600167848.db2.gz LCGVSRUVNRHTLZ-CLFYSBASSA-N -1 0 366.337 2.280 20 5 FEBDRM O=C([O-])CCCc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 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ZINC000594756959 673131397 /nfs/dbraw/zinc/13/13/97/673131397.db2.gz FOUDIRWEKAYSLL-NSHDSACASA-N -1 0 354.413 2.184 20 5 FEBDRM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773357 673137655 /nfs/dbraw/zinc/13/76/55/673137655.db2.gz QCJFMKKETSQDHB-IINYFYTJSA-N -1 0 369.374 2.183 20 5 FEBDRM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000594776140 673138537 /nfs/dbraw/zinc/13/85/37/673138537.db2.gz RYJNETPPDCPCHA-TVQRCGJNSA-N -1 0 369.424 2.032 20 5 FEBDRM COC(=O)[C@@]1([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H](C)CC1 ZINC000594837121 673157383 /nfs/dbraw/zinc/15/73/83/673157383.db2.gz MNEYBHUARPZYLX-LGZQZNNBSA-N -1 0 374.390 2.134 20 5 FEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]Cc1cccc(OC2CC2)c1F ZINC000594839587 673158357 /nfs/dbraw/zinc/15/83/57/673158357.db2.gz LAMGGDSSCUMOBB-UHFFFAOYSA-N -1 0 367.358 2.149 20 5 FEBDRM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C12CCC2 ZINC000594864899 673170731 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Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000598662009 673595379 /nfs/dbraw/zinc/59/53/79/673595379.db2.gz MALMPHADYUFUJE-LBPRGKRZSA-N -1 0 352.412 2.410 20 5 FEBDRM Cc1c(Br)cc(C(=O)N(C)Cc2n[n-]c(=O)o2)cc1[N+](=O)[O-] ZINC000598746316 673606138 /nfs/dbraw/zinc/60/61/38/673606138.db2.gz RSMYIZUTHMORSI-UHFFFAOYSA-N -1 0 371.147 2.027 20 5 FEBDRM CC(C)C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccs1 ZINC000599217470 673642529 /nfs/dbraw/zinc/64/25/29/673642529.db2.gz GGSZSPKWQLDCER-JTQLQIEISA-N -1 0 358.445 2.456 20 5 FEBDRM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599243051 673647223 /nfs/dbraw/zinc/64/72/23/673647223.db2.gz RZDKWUHRXZWBFY-AWEZNQCLSA-N -1 0 366.443 2.408 20 5 FEBDRM CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000599244634 673647833 /nfs/dbraw/zinc/64/78/33/673647833.db2.gz OOYBHFJMHUKARA-NSHDSACASA-N -1 0 360.342 2.036 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)n1 ZINC000599262416 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CCCc1nc(=NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)s[n-]1 ZINC000547379513 673846862 /nfs/dbraw/zinc/84/68/62/673846862.db2.gz JUCZOVMKLNZYQQ-UHFFFAOYSA-N -1 0 364.383 2.250 20 5 FEBDRM Cc1ccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000547878633 673896178 /nfs/dbraw/zinc/89/61/78/673896178.db2.gz WBWNXECXZKLAJL-AWEZNQCLSA-N -1 0 350.352 2.007 20 5 FEBDRM O=C([O-])CN(C1CCCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000547914192 673903647 /nfs/dbraw/zinc/90/36/47/673903647.db2.gz IBCQCHZYPCBSNH-UHFFFAOYSA-N -1 0 356.400 2.144 20 5 FEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000547923383 673905350 /nfs/dbraw/zinc/90/53/50/673905350.db2.gz ABIMUGYHOVAOFM-UFBFGSQYSA-N -1 0 364.807 2.368 20 5 FEBDRM O=C([N-]S(=O)(=O)CCCF)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000747139327 673909099 /nfs/dbraw/zinc/90/90/99/673909099.db2.gz PVBYCMREKXTLLS-UHFFFAOYSA-N -1 0 373.406 2.004 20 5 FEBDRM COC(=O)c1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c[n-]1 ZINC000747280933 673918876 /nfs/dbraw/zinc/91/88/76/673918876.db2.gz YMZMZTOXUPJNSF-UHFFFAOYSA-N -1 0 360.731 2.131 20 5 FEBDRM Cc1cccc([C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000548202555 673933789 /nfs/dbraw/zinc/93/37/89/673933789.db2.gz DXHPSVDHFBGWTG-OAHLLOKOSA-N -1 0 364.379 2.149 20 5 FEBDRM O=C([O-])[C@@H]1CC[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548244066 673941577 /nfs/dbraw/zinc/94/15/77/673941577.db2.gz GQFWKFCLJVVADE-DCAQKATOSA-N -1 0 374.440 2.453 20 5 FEBDRM O=C([O-])[C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000548249038 673942396 /nfs/dbraw/zinc/94/23/96/673942396.db2.gz JPUXJFXBDWDAOY-YMTOWFKASA-N -1 0 374.802 2.124 20 5 FEBDRM Cc1cc(S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000548292483 673947861 /nfs/dbraw/zinc/94/78/61/673947861.db2.gz MIJSZXYAMWJLEV-SNVBAGLBSA-N -1 0 358.416 2.379 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1C ZINC000548355424 673952890 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ZINC000367139398 330221409 /nfs/dbraw/zinc/22/14/09/330221409.db2.gz XESVZRBROOSXHT-AWEZNQCLSA-N -1 0 350.352 2.212 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2O ZINC000367151072 330222912 /nfs/dbraw/zinc/22/29/12/330222912.db2.gz LVDPYQAKCUZNTO-CYBMUJFWSA-N -1 0 368.342 2.351 20 5 FEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000371447695 330242508 /nfs/dbraw/zinc/24/25/08/330242508.db2.gz NGONVJFPZVSXPD-AWEZNQCLSA-N -1 0 373.409 2.165 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc3c2CNC3=O)c1C ZINC000554687596 674330301 /nfs/dbraw/zinc/33/03/01/674330301.db2.gz YQEBSNCOKXJTKQ-UHFFFAOYSA-N -1 0 361.379 2.256 20 5 FEBDRM Cn1ccnc1-c1cc(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH][n-]1 ZINC000477178174 538609185 /nfs/dbraw/zinc/60/91/85/538609185.db2.gz PACLUTMVAJPHSV-UHFFFAOYSA-N -1 0 351.326 2.452 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nncs2)c(C(F)(F)F)c1 ZINC000160581886 546053278 /nfs/dbraw/zinc/05/32/78/546053278.db2.gz YHGJJCSYKKSDLT-UHFFFAOYSA-N -1 0 354.291 2.266 20 5 FEBDRM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n(-c2ccccn2)n1 ZINC000171147713 546192945 /nfs/dbraw/zinc/19/29/45/546192945.db2.gz VSDLRURUEXKIJG-UHFFFAOYSA-N -1 0 359.367 2.285 20 5 FEBDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1C ZINC000480230584 561205442 /nfs/dbraw/zinc/20/54/42/561205442.db2.gz WIQFBPBETQOGNS-SECBINFHSA-N -1 0 356.408 2.088 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2C(N)=O)c1C ZINC000481578165 561236514 /nfs/dbraw/zinc/23/65/14/561236514.db2.gz CJZWTASCFXTGGV-UHFFFAOYSA-N -1 0 367.358 2.250 20 5 FEBDRM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181865521 547394414 /nfs/dbraw/zinc/39/44/14/547394414.db2.gz UDCNTWMIGMDRTL-QGZVFWFLSA-N -1 0 371.393 2.104 20 5 FEBDRM O=C([O-])c1ccc(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000485516021 561320934 /nfs/dbraw/zinc/32/09/34/561320934.db2.gz KRERPZZTDOWKHY-UHFFFAOYSA-N -1 0 367.317 2.477 20 5 FEBDRM C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000185863888 548046780 /nfs/dbraw/zinc/04/67/80/548046780.db2.gz FNSFQIBUNLYXBD-VIFPVBQESA-N -1 0 354.388 2.315 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000485953163 561333278 /nfs/dbraw/zinc/33/32/78/561333278.db2.gz FXGOMEVSFCQFRO-ZDUSSCGKSA-N -1 0 358.350 2.277 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1C ZINC000486888110 561358985 /nfs/dbraw/zinc/35/89/85/561358985.db2.gz QVSJIGHKMFSQOM-UHFFFAOYSA-N -1 0 374.382 2.193 20 5 FEBDRM CC(=O)Nc1ccc(C([O-])=CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000219035283 548691502 /nfs/dbraw/zinc/69/15/02/548691502.db2.gz IZRRBBVKVVJJIM-UHFFFAOYSA-N -1 0 362.363 2.210 20 5 FEBDRM Cc1nn(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000237027946 548796276 /nfs/dbraw/zinc/79/62/76/548796276.db2.gz GMGVRCYXRFMJQR-UHFFFAOYSA-N -1 0 360.370 2.155 20 5 FEBDRM CC(=O)Nc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000488442901 561389925 /nfs/dbraw/zinc/38/99/25/561389925.db2.gz UZBBYYTYVSSTDP-UHFFFAOYSA-N -1 0 370.774 2.402 20 5 FEBDRM CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246737413 549200436 /nfs/dbraw/zinc/20/04/36/549200436.db2.gz WGBRCMPGIOPKJX-QDXVKYEASA-N -1 0 366.486 2.014 20 5 FEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262116476 549790193 /nfs/dbraw/zinc/79/01/93/549790193.db2.gz BNRXLRZDMUGVJB-WCQGTBRESA-N -1 0 372.374 2.140 20 5 FEBDRM O=C([O-])C1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000262279329 549805646 /nfs/dbraw/zinc/80/56/46/549805646.db2.gz ZDGJMWREHSQRQG-UHFFFAOYSA-N -1 0 358.354 2.154 20 5 FEBDRM CCO[C@H]1C[C@@](NC(=O)c2ccc([N+](=O)[O-])cc2C)(C(=O)[O-])C1(C)C ZINC000262768649 549847906 /nfs/dbraw/zinc/84/79/06/549847906.db2.gz GUKQJVTYKTYMKW-SUMWQHHRSA-N -1 0 350.371 2.291 20 5 FEBDRM O=C([O-])C[C@]1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000262804439 549851497 /nfs/dbraw/zinc/85/14/97/549851497.db2.gz AOVLAJVZLQUMIG-CQSZACIVSA-N -1 0 374.802 2.090 20 5 FEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000262929812 549863601 /nfs/dbraw/zinc/86/36/01/549863601.db2.gz JYIPOOXEXMGIAC-PGQWDYDZSA-N -1 0 357.366 2.330 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)c1C ZINC000263196327 549885058 /nfs/dbraw/zinc/88/50/58/549885058.db2.gz LWMDIYHEMVFZBK-DGCLKSJQSA-N -1 0 356.400 2.085 20 5 FEBDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000263247904 549889090 /nfs/dbraw/zinc/88/90/90/549889090.db2.gz UVJVTPZJANHRSS-KGLIPLIRSA-N -1 0 364.401 2.476 20 5 FEBDRM C/C=C/C[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263285727 549891917 /nfs/dbraw/zinc/89/19/17/549891917.db2.gz PORFYMQRNDZPFD-AAOUONPWSA-N -1 0 368.411 2.372 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000263335898 549895759 /nfs/dbraw/zinc/89/57/59/549895759.db2.gz NJEUCKVONYZHPT-QGZVFWFLSA-N -1 0 358.354 2.107 20 5 FEBDRM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000269150856 550161176 /nfs/dbraw/zinc/16/11/76/550161176.db2.gz QHBTUYJKRSFOOT-JTQLQIEISA-N -1 0 351.359 2.040 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1[N+](=O)[O-] ZINC000272400089 550444284 /nfs/dbraw/zinc/44/42/84/550444284.db2.gz JBKGEQPJWLKRFJ-UHFFFAOYSA-N -1 0 362.314 2.373 20 5 FEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(CCc2cccs2)CC1 ZINC000272611976 550460726 /nfs/dbraw/zinc/46/07/26/550460726.db2.gz SLDDPKJZOZMTPJ-UHFFFAOYSA-N -1 0 361.423 2.362 20 5 FEBDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)cc1OC ZINC000494441400 561469854 /nfs/dbraw/zinc/46/98/54/561469854.db2.gz XVHKHMHUUXWNFF-UHFFFAOYSA-N -1 0 367.383 2.425 20 5 FEBDRM CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)oc1C ZINC000274876241 550561768 /nfs/dbraw/zinc/56/17/68/550561768.db2.gz GSUUBEUHJLPGJC-UHFFFAOYSA-N -1 0 369.355 2.177 20 5 FEBDRM O=C(C[C@@H]1COCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccco1 ZINC000274898302 550563307 /nfs/dbraw/zinc/56/33/07/550563307.db2.gz DGCISLATOGCHRE-CYBMUJFWSA-N -1 0 360.322 2.007 20 5 FEBDRM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000280766842 551030087 /nfs/dbraw/zinc/03/00/87/551030087.db2.gz BLAIBJXGBSCISW-GFCCVEGCSA-N -1 0 365.386 2.334 20 5 FEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000281999230 551167517 /nfs/dbraw/zinc/16/75/17/551167517.db2.gz NKADZYZMQMNMIM-UHFFFAOYSA-N -1 0 360.779 2.181 20 5 FEBDRM O=C([O-])[C@H]1CCCCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000282913533 551284828 /nfs/dbraw/zinc/28/48/28/551284828.db2.gz SEVXHNFALFMZRQ-LLVKDONJSA-N -1 0 360.363 2.142 20 5 FEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285237330 551724930 /nfs/dbraw/zinc/72/49/30/551724930.db2.gz YQFCJRRMDBFUJA-UHFFFAOYSA-N -1 0 350.400 2.112 20 5 FEBDRM CS(=O)(=O)c1ccc(N[C@@H](Cc2ccccc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000501209178 561592544 /nfs/dbraw/zinc/59/25/44/561592544.db2.gz NLLKQGIBHVZDLQ-AWEZNQCLSA-N -1 0 364.379 2.106 20 5 FEBDRM Nc1c(C(=O)Nc2nnc(C3CCOCC3)s2)cc(F)cc1[N+](=O)[O-] ZINC000294181541 552888409 /nfs/dbraw/zinc/88/84/09/552888409.db2.gz NGSXLQTZVZIKTA-UHFFFAOYSA-N -1 0 367.362 2.314 20 5 FEBDRM CC(C)(CO)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000295386802 552998211 /nfs/dbraw/zinc/99/82/11/552998211.db2.gz UJPRYYXKMYRFHV-UHFFFAOYSA-N -1 0 354.787 2.074 20 5 FEBDRM COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)[O-])c1 ZINC000504665840 561660996 /nfs/dbraw/zinc/66/09/96/561660996.db2.gz MISGZTKNTYQLTD-UHFFFAOYSA-N -1 0 366.351 2.411 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000320957176 553765805 /nfs/dbraw/zinc/76/58/05/553765805.db2.gz NFHRPLLUZZUWKE-SECBINFHSA-N -1 0 362.791 2.042 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000322949260 553768956 /nfs/dbraw/zinc/76/89/56/553768956.db2.gz KEJJJACHGHIEEP-KRTXAFLBSA-N -1 0 362.791 2.040 20 5 FEBDRM C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C(=O)[O-] ZINC000324308727 553772202 /nfs/dbraw/zinc/77/22/02/553772202.db2.gz QZWLTVPPJODHCY-QPUJVOFHSA-N -1 0 362.791 2.122 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000325490823 553776915 /nfs/dbraw/zinc/77/69/15/553776915.db2.gz YIRPAYREECHZMN-DZGCQCFKSA-N -1 0 356.400 2.215 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(O)c1 ZINC000326147175 553779387 /nfs/dbraw/zinc/77/93/87/553779387.db2.gz VOAUUEGLFAMNGA-UHFFFAOYSA-N -1 0 354.340 2.118 20 5 FEBDRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326691978 553782694 /nfs/dbraw/zinc/78/26/94/553782694.db2.gz UEOVHCNNSDYSTK-UHFFFAOYSA-N -1 0 354.315 2.321 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000326920419 553784484 /nfs/dbraw/zinc/78/44/84/553784484.db2.gz PQHKVUUTXMIGAA-GFCCVEGCSA-N -1 0 370.427 2.415 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1C ZINC000327130600 553786310 /nfs/dbraw/zinc/78/63/10/553786310.db2.gz SWDNMUCXGJLXLX-LKFCYVNXSA-N -1 0 356.400 2.085 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000327316873 553787995 /nfs/dbraw/zinc/78/79/95/553787995.db2.gz PYYPGGZHBFOHSG-UHFFFAOYSA-N -1 0 364.379 2.122 20 5 FEBDRM NC(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000506806542 561709090 /nfs/dbraw/zinc/70/90/90/561709090.db2.gz RBIRFOBZCPQOGK-UHFFFAOYSA-N -1 0 363.713 2.298 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000330451120 554123571 /nfs/dbraw/zinc/12/35/71/554123571.db2.gz JNGGYGCPUGUBGR-RKDXNWHRSA-N -1 0 370.353 2.211 20 5 FEBDRM O=C([O-])CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000507990887 561748288 /nfs/dbraw/zinc/74/82/88/561748288.db2.gz HXTBTBTWAJMSGM-UHFFFAOYSA-N -1 0 372.333 2.026 20 5 FEBDRM O=C(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000508703010 561770066 /nfs/dbraw/zinc/77/00/66/561770066.db2.gz 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CCNc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000739466940 602800258 /nfs/dbraw/zinc/80/02/58/602800258.db2.gz SULQDZSGXKUHRZ-GFCCVEGCSA-N -1 0 350.375 2.289 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739931876 602939841 /nfs/dbraw/zinc/93/98/41/602939841.db2.gz FTWDSCMHPQXRQC-UWVGGRQHSA-N -1 0 352.347 2.208 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739045231 602944804 /nfs/dbraw/zinc/94/48/04/602944804.db2.gz GUJHHFHZSXSVEA-ZJUUUORDSA-N -1 0 371.777 2.226 20 5 FEBDRM O=C(CCNc1ccccc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740358159 603000818 /nfs/dbraw/zinc/00/08/18/603000818.db2.gz DSXXSJCSHVGTRM-YHWZYXNKSA-N -1 0 362.386 2.186 20 5 FEBDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC000740394355 603013741 /nfs/dbraw/zinc/01/37/41/603013741.db2.gz KVNYKHGJHUPJMS-YOGCLGLASA-N -1 0 358.354 2.479 20 5 FEBDRM 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CC(C)[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)NC(=O)[O-] ZINC000739052955 603418805 /nfs/dbraw/zinc/41/88/05/603418805.db2.gz OPJOAJJUJWVSNS-GXFFZTMASA-N -1 0 355.416 2.484 20 5 FEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000828146549 603462862 /nfs/dbraw/zinc/46/28/62/603462862.db2.gz NIDBNJLOWYKCRD-UHFFFAOYSA-N -1 0 352.391 2.027 20 5 FEBDRM CCC(CC)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)NC(=O)[O-] ZINC000826561399 603478329 /nfs/dbraw/zinc/47/83/29/603478329.db2.gz XWGIYKSYBNZGJJ-UHFFFAOYSA-N -1 0 359.404 2.008 20 5 FEBDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000832279974 603537459 /nfs/dbraw/zinc/53/74/59/603537459.db2.gz UDPVDQRHMKBOAX-GHMZBOCLSA-N -1 0 359.342 2.360 20 5 FEBDRM CNc1ccc(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000828594055 603565202 /nfs/dbraw/zinc/56/52/02/603565202.db2.gz QCDVETBGENONPV-GFCCVEGCSA-N -1 0 352.391 2.391 20 5 FEBDRM CC(C)[C@H](CCN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000824091176 603580126 /nfs/dbraw/zinc/58/01/26/603580126.db2.gz AAFPYOVYGZLKFZ-ZDUSSCGKSA-N -1 0 368.346 2.257 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)(C)CNC(=O)[O-] ZINC000830138515 603631436 /nfs/dbraw/zinc/63/14/36/603631436.db2.gz WAPKJSOIJXWOMI-UHFFFAOYSA-N -1 0 352.391 2.067 20 5 FEBDRM CC[C@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000826607417 603657039 /nfs/dbraw/zinc/65/70/39/603657039.db2.gz KLDPBXTYTXFYKX-JSGCOSHPSA-N -1 0 350.375 2.488 20 5 FEBDRM O=C([O-])NC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000832427864 603683510 /nfs/dbraw/zinc/68/35/10/603683510.db2.gz LYDGPDCGQZQVMO-LBPRGKRZSA-N -1 0 356.766 2.094 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000829515916 603865637 /nfs/dbraw/zinc/86/56/37/603865637.db2.gz NJNNVNVTIAZFGH-CMPLNLGQSA-N -1 0 352.343 2.473 20 5 FEBDRM 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370.427 2.494 20 5 FEBDRM Cc1cccc(OCCCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000784112826 682200646 /nfs/dbraw/zinc/20/06/46/682200646.db2.gz OGCWXOJUPNRYTI-UHFFFAOYSA-N -1 0 366.395 2.356 20 5 FEBDRM COC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000786274205 682364967 /nfs/dbraw/zinc/36/49/67/682364967.db2.gz YSSWBWLZBJYYJO-UHFFFAOYSA-N -1 0 364.807 2.177 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccccc2[N+](=O)[O-])cc(C)c1F ZINC000786500540 682381619 /nfs/dbraw/zinc/38/16/19/682381619.db2.gz JXSDFDWOBLWLKI-UHFFFAOYSA-N -1 0 366.370 2.398 20 5 FEBDRM CCCC(=O)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000788058848 682499893 /nfs/dbraw/zinc/49/98/93/682499893.db2.gz XMPPKTIRCCAZIW-UHFFFAOYSA-N -1 0 369.168 2.101 20 5 FEBDRM CC(=O)[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000789474795 682607857 /nfs/dbraw/zinc/60/78/57/682607857.db2.gz HKOVJOHZLNYCMW-LLVKDONJSA-N -1 0 370.427 2.494 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C=C(C1CC1)C1CC1 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Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000796715706 683189167 /nfs/dbraw/zinc/18/91/67/683189167.db2.gz GNGOWPJQPXSXJB-UHFFFAOYSA-N -1 0 370.427 2.161 20 5 FEBDRM CC1CCC(OCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000796770719 683194481 /nfs/dbraw/zinc/19/44/81/683194481.db2.gz VMEIUDVXKPVCAQ-UHFFFAOYSA-N -1 0 374.390 2.134 20 5 FEBDRM CO[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000796894226 683204891 /nfs/dbraw/zinc/20/48/91/683204891.db2.gz IRPGPNMTHIKEPE-CHWSQXEVSA-N -1 0 370.427 2.303 20 5 FEBDRM Cc1c(CC(=O)[N-]S(=O)(=O)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000796916378 683206423 /nfs/dbraw/zinc/20/64/23/683206423.db2.gz GPFDAVRSNLKQJX-UHFFFAOYSA-N -1 0 354.428 2.472 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000860551391 683259400 /nfs/dbraw/zinc/25/94/00/683259400.db2.gz HYTHBWJPKPKOKN-MRVPVSSYSA-N -1 0 354.306 2.297 20 5 FEBDRM O=C(C[C@@H]1CCC(F)(F)C1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 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COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007708265 539463671 /nfs/dbraw/zinc/46/36/71/539463671.db2.gz PGBNVLCBPDYXGZ-UHFFFAOYSA-N -1 0 366.351 2.191 20 5 FEBDRM COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccs1 ZINC000025086736 539748302 /nfs/dbraw/zinc/74/83/02/539748302.db2.gz VVYQYQGXIJZJIQ-SNVBAGLBSA-N -1 0 350.352 2.396 20 5 FEBDRM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000026238176 539780982 /nfs/dbraw/zinc/78/09/82/539780982.db2.gz WEXCQBUTRSVOBC-UHFFFAOYSA-N -1 0 354.315 2.321 20 5 FEBDRM O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000029433720 539853034 /nfs/dbraw/zinc/85/30/34/539853034.db2.gz XXKLTGCIFRKIEQ-UHFFFAOYSA-N -1 0 373.337 2.078 20 5 FEBDRM NC(=O)c1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)n2)c[nH]1 ZINC000030983848 539895722 /nfs/dbraw/zinc/89/57/22/539895722.db2.gz ZQELPMUHYSAPER-UHFFFAOYSA-N -1 0 373.350 2.103 20 5 FEBDRM CC(C)c1[nH]nc(C(=O)N=c2ncn(Cc3ccccc3)[n-]2)c1[N+](=O)[O-] ZINC000532460530 540163950 /nfs/dbraw/zinc/16/39/50/540163950.db2.gz RPCZDLWJFRLLKY-UHFFFAOYSA-N -1 0 355.358 2.333 20 5 FEBDRM Cc1cc(C)n2[n-]c(=NC(=O)NCCc3cccc([N+](=O)[O-])c3)nc2n1 ZINC000533922637 540303931 /nfs/dbraw/zinc/30/39/31/540303931.db2.gz QPUZIDOMJPVMTO-UHFFFAOYSA-N -1 0 355.358 2.014 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)cc1[N+](=O)[O-] ZINC000063182837 541158354 /nfs/dbraw/zinc/15/83/54/541158354.db2.gz RUXYRLDZIGKODV-UHFFFAOYSA-N -1 0 369.786 2.456 20 5 FEBDRM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000065319851 541234638 /nfs/dbraw/zinc/23/46/38/541234638.db2.gz JUHXYPAKXRIWGR-GXTWGEPZSA-N -1 0 363.414 2.457 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000802085309 674160636 /nfs/dbraw/zinc/16/06/36/674160636.db2.gz IGGNKXQICQRCRW-UHFFFAOYSA-N -1 0 355.759 2.070 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000110095472 543348964 /nfs/dbraw/zinc/34/89/64/543348964.db2.gz 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O=C(NCc1cccc(CN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130419884 544150163 /nfs/dbraw/zinc/15/01/63/544150163.db2.gz PEDDIZXUKHORBD-UHFFFAOYSA-N -1 0 371.393 2.063 20 5 FEBDRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000802835741 674201310 /nfs/dbraw/zinc/20/13/10/674201310.db2.gz JAWLQENQZMUOEO-UHFFFAOYSA-N -1 0 362.407 2.400 20 5 FEBDRM Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)cs1 ZINC000553295378 674251012 /nfs/dbraw/zinc/25/10/12/674251012.db2.gz XYTNOBCNBSCJSW-UHFFFAOYSA-N -1 0 362.411 2.380 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(CCOc2ccccc2)CC1 ZINC000179391854 327640425 /nfs/dbraw/zinc/64/04/25/327640425.db2.gz CGKZVBHDIIOVDN-UHFFFAOYSA-N -1 0 371.393 2.137 20 5 FEBDRM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181943979 327753994 /nfs/dbraw/zinc/75/39/94/327753994.db2.gz GTGFEADXFOBTMZ-QWHCGFSZSA-N -1 0 363.414 2.457 20 5 FEBDRM COc1ccc2c(c1)nc(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)n2C ZINC000187296864 328014223 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361.379 2.305 20 5 FEBDRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237945046 328535325 /nfs/dbraw/zinc/53/53/25/328535325.db2.gz DGMHYQVDQGWWMQ-MRVPVSSYSA-N -1 0 357.160 2.294 20 5 FEBDRM CCCNC(=O)c1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000120542004 326266878 /nfs/dbraw/zinc/26/68/78/326266878.db2.gz YNADKJWNBVDUQV-UHFFFAOYSA-N -1 0 357.366 2.370 20 5 FEBDRM CC[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000120941985 326300507 /nfs/dbraw/zinc/30/05/07/326300507.db2.gz XNIPZAZHDWFDTK-QMMMGPOBSA-N -1 0 357.215 2.341 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)ccc1[N+](=O)[O-] ZINC000121393215 326335470 /nfs/dbraw/zinc/33/54/70/326335470.db2.gz AOLYAXZIDGNFEF-UHFFFAOYSA-N -1 0 366.330 2.420 20 5 FEBDRM O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000137835903 326661842 /nfs/dbraw/zinc/66/18/42/326661842.db2.gz GZKQZUODJANJBJ-LLVKDONJSA-N -1 0 362.773 2.358 20 5 FEBDRM O=C(CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1Cc2ccccc2C1 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IUOZJAMSHYNKCO-ZETCQYMHSA-N -1 0 354.306 2.220 20 5 FEBDRM CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000838804769 680720240 /nfs/dbraw/zinc/72/02/40/680720240.db2.gz AVNWWTFRJQWNTA-SECBINFHSA-N -1 0 350.343 2.390 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCC(F)(F)F ZINC000838933504 680728109 /nfs/dbraw/zinc/72/81/09/680728109.db2.gz IWSDZFKSUNLUIC-UHFFFAOYSA-N -1 0 369.321 2.174 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1F ZINC000762044601 680738786 /nfs/dbraw/zinc/73/87/86/680738786.db2.gz MYBRXEMABUWOSP-UHFFFAOYSA-N -1 0 372.305 2.000 20 5 FEBDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000762732221 680760070 /nfs/dbraw/zinc/76/00/70/680760070.db2.gz PWLPHXYHBDUZRQ-CQSZACIVSA-N -1 0 374.484 2.361 20 5 FEBDRM O=C([N-]C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1)C(F)(F)F ZINC000840306185 680813849 /nfs/dbraw/zinc/81/38/49/680813849.db2.gz QYHPGZHDDTZXLK-MRVPVSSYSA-N -1 0 350.272 2.024 20 5 FEBDRM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000840900442 680851521 /nfs/dbraw/zinc/85/15/21/680851521.db2.gz WUVXMGQPGTWXLQ-LLVKDONJSA-N -1 0 356.400 2.350 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C2(CF)CCOCC2)c1 ZINC000831997406 680072666 /nfs/dbraw/zinc/07/26/66/680072666.db2.gz DXZNQGJURSLHDL-UHFFFAOYSA-N -1 0 370.761 2.184 20 5 FEBDRM C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000750538414 680121359 /nfs/dbraw/zinc/12/13/59/680121359.db2.gz IHLYFHFAUYHAPJ-SNVBAGLBSA-N -1 0 353.375 2.191 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(OC)n1 ZINC000751272472 680164713 /nfs/dbraw/zinc/16/47/13/680164713.db2.gz RLVJTWVMHQOEDR-UHFFFAOYSA-N -1 0 373.774 2.461 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CC=CCC2)ccc1[N+](=O)[O-] ZINC000835223662 680307909 /nfs/dbraw/zinc/30/79/09/680307909.db2.gz JWUDVMMLSOMJHA-HNNXBMFYSA-N -1 0 354.384 2.155 20 5 FEBDRM Cc1nc(S(=O)(=O)[N-]C(=O)CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000835585500 680355372 /nfs/dbraw/zinc/35/53/72/680355372.db2.gz ZMIVEVZZLLCCPI-UHFFFAOYSA-N -1 0 369.424 2.106 20 5 FEBDRM CCOc1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000754744335 680374425 /nfs/dbraw/zinc/37/44/25/680374425.db2.gz ZJOTVXKUXPOLCP-UHFFFAOYSA-N -1 0 372.399 2.004 20 5 FEBDRM COc1cc(C(=O)[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)cc([N+](=O)[O-])c1C ZINC000835741131 680375247 /nfs/dbraw/zinc/37/52/47/680375247.db2.gz CPFCDXFCVKCRRL-JRPNMDOOSA-N -1 0 368.411 2.160 20 5 FEBDRM O=C(COc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)CCC1CCCCC1 ZINC000835937322 680400608 /nfs/dbraw/zinc/40/06/08/680400608.db2.gz LZOMDHHNWYHUEA-UHFFFAOYSA-N -1 0 370.427 2.390 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000755760762 680433927 /nfs/dbraw/zinc/43/39/27/680433927.db2.gz NYRUHQVDDFFSEW-UHFFFAOYSA-N -1 0 370.408 2.400 20 5 FEBDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000755910052 680444506 /nfs/dbraw/zinc/44/45/06/680444506.db2.gz KIZNQBUREBOPHW-UHFFFAOYSA-N -1 0 358.372 2.477 20 5 FEBDRM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000756224011 680467333 /nfs/dbraw/zinc/46/73/33/680467333.db2.gz IIULTUICIKNRAK-UHFFFAOYSA-N -1 0 370.333 2.311 20 5 FEBDRM C[C@H](CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837288656 680580864 /nfs/dbraw/zinc/58/08/64/680580864.db2.gz CVQFNAJVJDEITQ-SSDOTTSWSA-N -1 0 368.770 2.167 20 5 FEBDRM CCC[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000837295095 680583651 /nfs/dbraw/zinc/58/36/51/680583651.db2.gz HTUWHTRHVKYUGX-YGRLFVJLSA-N -1 0 374.390 2.306 20 5 FEBDRM CC(C)C(=O)N1CCCC[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837455102 680605848 /nfs/dbraw/zinc/60/58/48/680605848.db2.gz MVDLKKAFDNVFRR-HNNXBMFYSA-N -1 0 350.371 2.381 20 5 FEBDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000759554292 680656005 /nfs/dbraw/zinc/65/60/05/680656005.db2.gz SRYIERDMDABVGH-UWVGGRQHSA-N -1 0 371.371 2.134 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C)cc1[N+](=O)[O-] ZINC000760321843 680682939 /nfs/dbraw/zinc/68/29/39/680682939.db2.gz JMQSTDIUDNCUAO-UHFFFAOYSA-N -1 0 352.372 2.313 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c([N+](=O)[O-])c1 ZINC000766048051 680864481 /nfs/dbraw/zinc/86/44/81/680864481.db2.gz DPENWBCRGLQEIW-UHFFFAOYSA-N -1 0 368.327 2.016 20 5 FEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1n[n-]c(=S)o1 ZINC000841427414 680880667 /nfs/dbraw/zinc/88/06/67/680880667.db2.gz WDXOEEKXQDXSOV-UHFFFAOYSA-N -1 0 354.413 2.351 20 5 FEBDRM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)O1 ZINC000841536216 680893866 /nfs/dbraw/zinc/89/38/66/680893866.db2.gz ZIBNXPHOENBEDN-IONNQARKSA-N -1 0 352.771 2.233 20 5 FEBDRM CC(C)(CC(F)F)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000842320568 680938500 /nfs/dbraw/zinc/93/85/00/680938500.db2.gz JBAZPZRLUGBVKR-UHFFFAOYSA-N -1 0 364.370 2.265 20 5 FEBDRM CC(C)[C@H](F)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842452795 680947892 /nfs/dbraw/zinc/94/78/92/680947892.db2.gz XMPNXONGZJOZRV-JTQLQIEISA-N -1 0 372.296 2.413 20 5 FEBDRM O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768880480 680962999 /nfs/dbraw/zinc/96/29/99/680962999.db2.gz COEJGOZMFHGOLE-UHFFFAOYSA-N -1 0 368.392 2.496 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000769299938 680977161 /nfs/dbraw/zinc/97/71/61/680977161.db2.gz TZNBYGSEQHTZLH-AWEZNQCLSA-N -1 0 352.343 2.419 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000769672779 680991116 /nfs/dbraw/zinc/99/11/16/680991116.db2.gz UAYFWWRNUPORAC-UHFFFAOYSA-N -1 0 371.302 2.452 20 5 FEBDRM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1F ZINC000769891217 680998991 /nfs/dbraw/zinc/99/89/91/680998991.db2.gz SNBCIYJRJLOHJJ-UHFFFAOYSA-N -1 0 370.314 2.242 20 5 FEBDRM O=C(N[C@@H]1CCCCC12OCCO2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843834492 681021198 /nfs/dbraw/zinc/02/11/98/681021198.db2.gz SKDAFRPANHRQCA-GFCCVEGCSA-N -1 0 356.762 2.369 20 5 FEBDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770774789 681027181 /nfs/dbraw/zinc/02/71/81/681027181.db2.gz GGVOHVQYRGZBOG-SECBINFHSA-N -1 0 364.420 2.461 20 5 FEBDRM O=C(/C=C\c1ccccc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770774322 681027213 /nfs/dbraw/zinc/02/72/13/681027213.db2.gz ZYQPAIWUCMYXED-YVMONPNESA-N -1 0 368.317 2.391 20 5 FEBDRM O=C([O-])Cc1ccc(N2CCSC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000844213570 681045073 /nfs/dbraw/zinc/04/50/73/681045073.db2.gz JQOOKJKXNIGFAW-UHFFFAOYSA-N -1 0 352.412 2.324 20 5 FEBDRM O=C([O-])[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000844824429 681085903 /nfs/dbraw/zinc/08/59/03/681085903.db2.gz FYYKHZBZVUFEAO-VIFPVBQESA-N -1 0 362.791 2.027 20 5 FEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C1CCCC1 ZINC000845497114 681132924 /nfs/dbraw/zinc/13/29/24/681132924.db2.gz YMWXUCISLZFPLR-HOTGVXAUSA-N -1 0 366.439 2.410 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc[nH]c1C1CCC1 ZINC000845505440 681133504 /nfs/dbraw/zinc/13/35/04/681133504.db2.gz BZTLEIASZJHGEL-UHFFFAOYSA-N -1 0 367.358 2.448 20 5 FEBDRM COc1c(C)cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1C ZINC000773798974 681155775 /nfs/dbraw/zinc/15/57/75/681155775.db2.gz UWEKOSOXCGVDIN-UHFFFAOYSA-N -1 0 370.408 2.400 20 5 FEBDRM CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000773801910 681156020 /nfs/dbraw/zinc/15/60/20/681156020.db2.gz JQSQENGKKHMIKN-MRVPVSSYSA-N -1 0 350.393 2.071 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774182572 681171943 /nfs/dbraw/zinc/17/19/43/681171943.db2.gz HLVLKHDORZLLQU-JTQLQIEISA-N -1 0 358.416 2.481 20 5 FEBDRM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000774967103 681257937 /nfs/dbraw/zinc/25/79/37/681257937.db2.gz KNSIGDWMTKLCSR-UHFFFAOYSA-N -1 0 354.668 2.474 20 5 FEBDRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000775301861 681295556 /nfs/dbraw/zinc/29/55/56/681295556.db2.gz AJYCPBRFSRRMLN-UHFFFAOYSA-N -1 0 364.379 2.041 20 5 FEBDRM Cc1cc(F)cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000847078478 681329874 /nfs/dbraw/zinc/32/98/74/681329874.db2.gz JBGWDAMWABTYIO-SECBINFHSA-N -1 0 350.306 2.151 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccs2)cc([N+](=O)[O-])c1F ZINC000776450535 681393206 /nfs/dbraw/zinc/39/32/06/681393206.db2.gz HGEUJGTXHKMBJP-GFCCVEGCSA-N -1 0 374.371 2.208 20 5 FEBDRM CC(C)(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000776551699 681403560 /nfs/dbraw/zinc/40/35/60/681403560.db2.gz JGRDBVHGJJJOJX-VIFPVBQESA-N -1 0 364.807 2.416 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC000776570962 681408521 /nfs/dbraw/zinc/40/85/21/681408521.db2.gz IXGIYZOAYQLPHQ-UHFFFAOYSA-N -1 0 364.807 2.336 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000776680292 681425299 /nfs/dbraw/zinc/42/52/99/681425299.db2.gz ZIYOIHSRSGMDHG-SECBINFHSA-N -1 0 364.807 2.429 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000776718914 681429969 /nfs/dbraw/zinc/42/99/69/681429969.db2.gz REDWLILPYZGDFN-JVXZTZIISA-N -1 0 362.791 2.040 20 5 FEBDRM CSc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000777281918 681478484 /nfs/dbraw/zinc/47/84/84/681478484.db2.gz LCYFQFFHPKSKBD-UHFFFAOYSA-N -1 0 352.393 2.435 20 5 FEBDRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cn2C)c1Cl ZINC000777348769 681485778 /nfs/dbraw/zinc/48/57/78/681485778.db2.gz GFGKJSDPQKBQKE-UHFFFAOYSA-N -1 0 357.775 2.014 20 5 FEBDRM COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778289475 681592716 /nfs/dbraw/zinc/59/27/16/681592716.db2.gz LTQFKUGOLUVLQB-SECBINFHSA-N -1 0 364.807 2.116 20 5 FEBDRM CC[C@@H](C)n1nc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000778289272 681593049 /nfs/dbraw/zinc/59/30/49/681593049.db2.gz LDILUPOFPYLURX-SNVBAGLBSA-N -1 0 366.399 2.189 20 5 FEBDRM C[C@@H](C[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000848685058 681600940 /nfs/dbraw/zinc/60/09/40/681600940.db2.gz YRZWCFBOLPUYJJ-WDEREUQCSA-N -1 0 374.390 2.388 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000778824111 681652656 /nfs/dbraw/zinc/65/26/56/681652656.db2.gz CCIJTKIDLPWWAT-UHFFFAOYSA-N -1 0 363.395 2.205 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](CC(=O)[O-])C2)cc([N+](=O)[O-])c1F ZINC000849220618 681666996 /nfs/dbraw/zinc/66/69/96/681666996.db2.gz NRUXPOMYBMTOSD-MWLCHTKSSA-N -1 0 374.390 2.164 20 5 FEBDRM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CO1 ZINC000849412627 681720787 /nfs/dbraw/zinc/72/07/87/681720787.db2.gz UDQBTRWTPQYWFU-ZETCQYMHSA-N -1 0 352.771 2.233 20 5 FEBDRM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779677470 681740682 /nfs/dbraw/zinc/74/06/82/681740682.db2.gz YZLKBYRTWHNHCV-SNVBAGLBSA-N -1 0 353.375 2.334 20 5 FEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000780324042 681814572 /nfs/dbraw/zinc/81/45/72/681814572.db2.gz ITSKFFLQQBQYTF-UHFFFAOYSA-N -1 0 373.456 2.167 20 5 FEBDRM CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C1CCCCC1 ZINC000850781912 681958813 /nfs/dbraw/zinc/95/88/13/681958813.db2.gz CWDBRMMDIRHSER-HNNXBMFYSA-N -1 0 370.427 2.303 20 5 FEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850793961 681960546 /nfs/dbraw/zinc/96/05/46/681960546.db2.gz HILJBUGQUKFCBA-IVZWLZJFSA-N -1 0 358.803 2.489 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000850891514 681976103 /nfs/dbraw/zinc/97/61/03/681976103.db2.gz HWJISCSZKRCQJC-NSHDSACASA-N -1 0 368.411 2.379 20 5 FEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC000782262102 682022182 /nfs/dbraw/zinc/02/21/82/682022182.db2.gz XNWCSGWVCFTUCC-UHFFFAOYSA-N -1 0 372.305 2.460 20 5 FEBDRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000851328848 682052984 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CC(C)(C)OCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795813210 683094654 /nfs/dbraw/zinc/09/46/54/683094654.db2.gz SOLDQKKFSWTGAR-UHFFFAOYSA-N -1 0 354.787 2.481 20 5 FEBDRM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795870334 683101133 /nfs/dbraw/zinc/10/11/33/683101133.db2.gz ZBANCOFXVILNJP-SECBINFHSA-N -1 0 368.814 2.464 20 5 FEBDRM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCO1 ZINC000795908315 683107067 /nfs/dbraw/zinc/10/70/67/683107067.db2.gz IROXPNZLLFQFHP-BDAKNGLRSA-N -1 0 366.798 2.481 20 5 FEBDRM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796138712 683132133 /nfs/dbraw/zinc/13/21/33/683132133.db2.gz CRFSEYKXXPQBEK-BDAKNGLRSA-N -1 0 366.798 2.338 20 5 FEBDRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796603015 683176300 /nfs/dbraw/zinc/17/63/00/683176300.db2.gz BTXRJEDQVDKNSY-DTWKUNHWSA-N -1 0 374.802 2.058 20 5 FEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)F 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0 351.359 2.248 20 5 FEBDRM CO[C@@H]1C[C@@H](Nc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000831531904 601830269 /nfs/dbraw/zinc/83/02/69/601830269.db2.gz DPDICAMGFFENSJ-CUOATXAZSA-N -1 0 365.386 2.023 20 5 FEBDRM O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740380292 601868501 /nfs/dbraw/zinc/86/85/01/601868501.db2.gz IIMOQTZCFBSLQA-LLVKDONJSA-N -1 0 353.400 2.193 20 5 FEBDRM CS(=O)(=O)c1ccc(Nc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000738141407 602011391 /nfs/dbraw/zinc/01/13/91/602011391.db2.gz XMJJDKHXALYEEO-UHFFFAOYSA-N -1 0 350.352 2.369 20 5 FEBDRM O=C([O-])c1cccn2cc(COC(=O)c3ccc(F)cc3[N+](=O)[O-])nc12 ZINC000833353911 602016771 /nfs/dbraw/zinc/01/67/71/602016771.db2.gz YIGLWROSYOYAQY-UHFFFAOYSA-N -1 0 359.269 2.437 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000738999606 602020122 /nfs/dbraw/zinc/02/01/22/602020122.db2.gz FWGCCFDKGMNABX-NWDGAFQWSA-N -1 0 351.359 2.011 20 5 FEBDRM Cc1c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000823842294 602029660 /nfs/dbraw/zinc/02/96/60/602029660.db2.gz LBQGPKQNAYCVFA-OAHLLOKOSA-N -1 0 351.315 2.057 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H]2CCCN(C(=O)[O-])C2)cc1OC ZINC000739499197 602231996 /nfs/dbraw/zinc/23/19/96/602231996.db2.gz WXBLHAVBHDBLSR-SNVBAGLBSA-N -1 0 368.342 2.301 20 5 FEBDRM CCN(CCC(=O)[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000829704438 602238605 /nfs/dbraw/zinc/23/86/05/602238605.db2.gz AKMVLLPZGJLHFX-UHFFFAOYSA-N -1 0 370.305 2.189 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740175896 602268843 /nfs/dbraw/zinc/26/88/43/602268843.db2.gz UVWFSXFGUYDOLY-NEPJUHHUSA-N -1 0 371.415 2.103 20 5 FEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(C)(C)CNC(=O)[O-] ZINC000739047347 602303738 /nfs/dbraw/zinc/30/37/38/602303738.db2.gz QFBPTVVKONKUDE-MRVPVSSYSA-N -1 0 359.766 2.178 20 5 FEBDRM Cc1cc(N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891313 602321294 /nfs/dbraw/zinc/32/12/94/602321294.db2.gz QCCPIZBECCUJFH-CYBMUJFWSA-N -1 0 366.370 2.148 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CN(C)C(=O)[O-])CC1 ZINC000740175923 602388338 /nfs/dbraw/zinc/38/83/38/602388338.db2.gz VKXWMNDNZALVRZ-UHFFFAOYSA-N -1 0 364.402 2.164 20 5 FEBDRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000575858499 602390080 /nfs/dbraw/zinc/39/00/80/602390080.db2.gz IBRWACSGYOHGQO-UHFFFAOYSA-N -1 0 365.292 2.385 20 5 FEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830529038 602396623 /nfs/dbraw/zinc/39/66/23/602396623.db2.gz XRQKQPYWTZAIDU-ZDUSSCGKSA-N -1 0 369.255 2.305 20 5 FEBDRM Cc1nn(CCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c(C)c1[N+](=O)[O-] ZINC000740250939 602407423 /nfs/dbraw/zinc/40/74/23/602407423.db2.gz BVFDICZEUPIXML-LLVKDONJSA-N -1 0 366.378 2.389 20 5 FEBDRM CN(CC1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000739651060 602418051 /nfs/dbraw/zinc/41/80/51/602418051.db2.gz QZHMZZPAMCBLCK-UHFFFAOYSA-N -1 0 364.402 2.169 20 5 FEBDRM CCOc1ccc(C(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000739493624 602427963 /nfs/dbraw/zinc/42/79/63/602427963.db2.gz FQIQYVJZLUWEPR-INIZCTEOSA-N -1 0 351.359 2.160 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000740098926 602455340 /nfs/dbraw/zinc/45/53/40/602455340.db2.gz LYCNNLHWYBKJMU-UHFFFAOYSA-N -1 0 366.351 2.439 20 5 FEBDRM CCC(CC)(CNC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000739252474 602522179 /nfs/dbraw/zinc/52/21/79/602522179.db2.gz NAWDYHNFNATRKE-UHFFFAOYSA-N -1 0 354.319 2.059 20 5 FEBDRM CCCN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000739351956 602551059 /nfs/dbraw/zinc/55/10/59/602551059.db2.gz RMZGTULXHWTMFY-LBPRGKRZSA-N -1 0 371.415 2.056 20 5 FEBDRM C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1NC(=O)[O-] ZINC000739188023 602773700 /nfs/dbraw/zinc/77/37/00/602773700.db2.gz LJBNOAQDULIKEH-ZWNOBZJWSA-N -1 0 361.358 2.123 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000740092083 602784600 /nfs/dbraw/zinc/78/46/00/602784600.db2.gz WBXMVZQGVJZZGI-BXUZGUMPSA-N -1 0 371.415 2.103 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c1 ZINC000739931921 602784954 /nfs/dbraw/zinc/78/49/54/602784954.db2.gz GSUCORXVYVWHPA-MFKMUULPSA-N -1 0 351.359 2.160 20 5 FEBDRM O=C([O-])N1CCCC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000740392239 602814026 /nfs/dbraw/zinc/81/40/26/602814026.db2.gz HCWMXRPQERIUSZ-CYBMUJFWSA-N -1 0 362.386 2.431 20 5 FEBDRM CN(C[C@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1)C(=O)[O-] ZINC000739635735 602860838 /nfs/dbraw/zinc/86/08/38/602860838.db2.gz GVTIMRFGFFNIFF-CYBMUJFWSA-N -1 0 374.401 2.133 20 5 FEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739045223 602944879 /nfs/dbraw/zinc/94/48/79/602944879.db2.gz GUJHHFHZSXSVEA-NXEZZACHSA-N -1 0 371.777 2.226 20 5 FEBDRM C[C@@H](CNC(=O)[O-])N(C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000738927604 602951027 /nfs/dbraw/zinc/95/10/27/602951027.db2.gz STJLLVDIFVGHSU-VIFPVBQESA-N -1 0 359.766 2.132 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000740632571 602993655 /nfs/dbraw/zinc/99/36/55/602993655.db2.gz MVVNRXQVIHYRDJ-JOYOIKCWSA-N -1 0 361.358 2.027 20 5 FEBDRM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C(=O)[O-] ZINC000826034222 602997295 /nfs/dbraw/zinc/99/72/95/602997295.db2.gz GXTGWQGQSMUWFQ-MRVPVSSYSA-N -1 0 361.276 2.438 20 5 FEBDRM O=C([O-])N1CCC[C@@H]1COC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740721612 602998730 /nfs/dbraw/zinc/99/87/30/602998730.db2.gz PLKRPDYTTYKFQR-SNVBAGLBSA-N -1 0 361.310 2.148 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739934746 603177343 /nfs/dbraw/zinc/17/73/43/603177343.db2.gz ZOMOHAHIPXCTGK-JQWIXIFHSA-N -1 0 351.359 2.046 20 5 FEBDRM CCOC(=O)c1ccnc(N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1[N+](=O)[O-] ZINC000827349552 603196000 /nfs/dbraw/zinc/19/60/00/603196000.db2.gz LBJHCMLSVLNSTC-GXSJLCMTSA-N -1 0 352.347 2.015 20 5 FEBDRM CC(C)C[C@](C)(CNC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000738803956 603242611 /nfs/dbraw/zinc/24/26/11/603242611.db2.gz DSRVCYNJEDCNAK-GFCCVEGCSA-N -1 0 365.433 2.007 20 5 FEBDRM C[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C(=O)[O-] ZINC000826008560 603287285 /nfs/dbraw/zinc/28/72/85/603287285.db2.gz WEYAECQFILLROA-MRVPVSSYSA-N -1 0 374.300 2.412 20 5 FEBDRM O=C([O-])N1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000740516213 603298991 /nfs/dbraw/zinc/29/89/91/603298991.db2.gz NLAWJSRPMAPDGW-UHFFFAOYSA-N -1 0 359.342 2.103 20 5 FEBDRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000740620268 603305809 /nfs/dbraw/zinc/30/58/09/603305809.db2.gz HLHFUEYVTYAZRK-MFKMUULPSA-N -1 0 353.400 2.239 20 5 FEBDRM CC(C)[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000739047461 603399914 /nfs/dbraw/zinc/39/99/14/603399914.db2.gz QSVHWZYFCUECFU-KOLCDFICSA-N -1 0 373.793 2.424 20 5 FEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCCN(C(=O)[O-])CC1 ZINC000739481043 603400915 /nfs/dbraw/zinc/40/09/15/603400915.db2.gz QBQATZPOZYVTIY-UHFFFAOYSA-N -1 0 355.322 2.101 20 5 FEBDRM O=C([O-])NC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000740598465 603401592 /nfs/dbraw/zinc/40/15/92/603401592.db2.gz MABZGNJCFIKAMB-UHFFFAOYSA-N -1 0 362.386 2.067 20 5 FEBDRM CC(C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738787678 603416156 /nfs/dbraw/zinc/41/61/56/603416156.db2.gz AXYPYDJIVGSXIC-CYBMUJFWSA-N -1 0 364.402 2.217 20 5 FEBDRM O=C([O-])N(CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCO1 ZINC000740491056 603420006 /nfs/dbraw/zinc/42/00/06/603420006.db2.gz IXASZFDOJZWIGH-CQSZACIVSA-N -1 0 363.370 2.033 20 5 FEBDRM Nc1c(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cccc1[N+](=O)[O-] ZINC000831258812 603446786 /nfs/dbraw/zinc/44/67/86/603446786.db2.gz AMKWFVGECGYTKY-UHFFFAOYSA-N -1 0 356.338 2.465 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825612692 603511382 /nfs/dbraw/zinc/51/13/82/603511382.db2.gz VBWLDDWTSKBNCI-ONGXEEELSA-N -1 0 371.777 2.226 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000830138081 603554713 /nfs/dbraw/zinc/55/47/13/603554713.db2.gz KJJYQGKMFSDAAK-DOMZBBRYSA-N -1 0 364.402 2.352 20 5 FEBDRM COc1cc(OCC(=O)O[C@@H](C)[C@H]2CCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000829217344 603597687 /nfs/dbraw/zinc/59/76/87/603597687.db2.gz OBKRNSJNWMOLGU-CMPLNLGQSA-N -1 0 368.342 2.056 20 5 FEBDRM COc1cc(OCC(=O)O[C@@H](C)[C@@H]2CCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000829217345 603597782 /nfs/dbraw/zinc/59/77/82/603597782.db2.gz OBKRNSJNWMOLGU-JQWIXIFHSA-N -1 0 368.342 2.056 20 5 FEBDRM COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000829080327 603658350 /nfs/dbraw/zinc/65/83/50/603658350.db2.gz ISVKEPYURVNACD-GWCFXTLKSA-N -1 0 351.359 2.112 20 5 FEBDRM C[C@H](NC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000825083347 603669996 /nfs/dbraw/zinc/66/99/96/603669996.db2.gz POLFMOOCOQCDSP-OPQQBVKSSA-N -1 0 351.359 2.275 20 5 FEBDRM CC[C@@H](NC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000826608005 603681556 /nfs/dbraw/zinc/68/15/56/603681556.db2.gz RGVBRVCKMOLPCG-SMDDNHRTSA-N -1 0 350.375 2.440 20 5 FEBDRM CC(C)(CNC(=O)[O-])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000823947675 603692105 /nfs/dbraw/zinc/69/21/05/603692105.db2.gz ZVUPHFUKRHMUEA-UHFFFAOYSA-N -1 0 365.386 2.258 20 5 FEBDRM C[C@H](OC(=O)C1(NC(=O)[O-])CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000825550631 603807451 /nfs/dbraw/zinc/80/74/51/603807451.db2.gz AGOFGUJKVNOVLE-JTQLQIEISA-N -1 0 365.342 2.045 20 5 FEBDRM O=C([O-])N1CC[C@](F)(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000831901889 603905853 /nfs/dbraw/zinc/90/58/53/603905853.db2.gz KZNMTADHWDOORQ-MRXNPFEDSA-N -1 0 353.350 2.126 20 5 FEBDRM 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COc1ccc(NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833889174 605973404 /nfs/dbraw/zinc/97/34/04/605973404.db2.gz MZFKESJRKXMRHK-SNVBAGLBSA-N -1 0 352.347 2.115 20 5 FEBDRM Cc1cc([N-]c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000826271392 609587807 /nfs/dbraw/zinc/58/78/07/609587807.db2.gz PGYCNZDVNOYGQE-VIFPVBQESA-N -1 0 355.362 2.389 20 5 FEBDRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000813071504 674716069 /nfs/dbraw/zinc/71/60/69/674716069.db2.gz WBUJLOPAQSAMNM-HTQZYQBOSA-N -1 0 361.807 2.072 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N(CC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000563076418 674845834 /nfs/dbraw/zinc/84/58/34/674845834.db2.gz YOBUIVLDJCHZOP-UHFFFAOYSA-N -1 0 356.400 2.411 20 5 FEBDRM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000815095738 674917332 /nfs/dbraw/zinc/91/73/32/674917332.db2.gz YJRVYVSDEIUIAQ-AMIZOPFISA-N -1 0 366.798 2.217 20 5 FEBDRM C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1CCC(=O)[O-] ZINC000563940371 674956235 /nfs/dbraw/zinc/95/62/35/674956235.db2.gz OLAJEFUJBVZYOB-GXTWGEPZSA-N -1 0 370.427 2.247 20 5 FEBDRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cn1C ZINC000816110760 675015989 /nfs/dbraw/zinc/01/59/89/675015989.db2.gz ICYCKTWRXSDROB-HNNXBMFYSA-N -1 0 365.411 2.390 20 5 FEBDRM O=C1Cc2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2N1 ZINC000071081733 670493925 /nfs/dbraw/zinc/49/39/25/670493925.db2.gz NBANWTYJGGFSMG-UHFFFAOYSA-N -1 0 351.315 2.029 20 5 FEBDRM CC[C@@H](C)C[C@@H](NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000570568402 670733447 /nfs/dbraw/zinc/73/34/47/670733447.db2.gz HZDGJWSLAIIEHY-NOZJJQNGSA-N -1 0 358.416 2.379 20 5 FEBDRM CCC[C@H]1CCN(S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000570687568 670754103 /nfs/dbraw/zinc/75/41/03/670754103.db2.gz MQRALXSCTCTVIZ-WFASDCNBSA-N -1 0 370.427 2.421 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccn3n2)c(F)c1 ZINC000571219506 670837160 /nfs/dbraw/zinc/83/71/60/670837160.db2.gz IKYYIGGOFKWJLK-UHFFFAOYSA-N -1 0 371.737 2.231 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(F)(F)[C@@H](CO)C1 ZINC000571286487 670850206 /nfs/dbraw/zinc/85/02/06/670850206.db2.gz QCHFWMCRTRFBTE-SSDOTTSWSA-N -1 0 350.705 2.044 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCc2occc21 ZINC000572119280 670963696 /nfs/dbraw/zinc/96/36/96/670963696.db2.gz ZVXXNTSJMZBSKC-LBPRGKRZSA-N -1 0 366.351 2.242 20 5 FEBDRM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000572141217 670966216 /nfs/dbraw/zinc/96/62/16/670966216.db2.gz VJYUSTMIQUBDPR-UHFFFAOYSA-N -1 0 369.424 2.402 20 5 FEBDRM O=C([O-])CC[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000572720665 671036536 /nfs/dbraw/zinc/03/65/36/671036536.db2.gz GFBRHWQKABITDZ-DZGCQCFKSA-N -1 0 370.427 2.438 20 5 FEBDRM CCCc1[nH]ccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000817713828 675164291 /nfs/dbraw/zinc/16/42/91/675164291.db2.gz WQEDNJVDIZBKFC-UHFFFAOYSA-N -1 0 351.384 2.303 20 5 FEBDRM Cc1nc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])c(C)cc2C)sc1C ZINC000817740392 675166351 /nfs/dbraw/zinc/16/63/51/675166351.db2.gz JNSGDVVHQXQBQV-UHFFFAOYSA-N -1 0 369.424 2.404 20 5 FEBDRM CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000573840467 671171573 /nfs/dbraw/zinc/17/15/73/671171573.db2.gz YKWYKJONWXRMTQ-MWLCHTKSSA-N -1 0 374.440 2.246 20 5 FEBDRM CCO[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@]12CCCO2 ZINC000574207743 671214990 /nfs/dbraw/zinc/21/49/90/671214990.db2.gz FWCKUVAVOAKZQB-WOSRLPQWSA-N -1 0 370.789 2.410 20 5 FEBDRM C[C@H]([C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000574824930 671279800 /nfs/dbraw/zinc/27/98/00/671279800.db2.gz YPUGMGTWKWDYAE-WRWORJQWSA-N -1 0 362.791 2.026 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2C[C@@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000566176849 675190370 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Cc1cc(S(=O)(=O)N2CCC(C)(C)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000581109645 671864233 /nfs/dbraw/zinc/86/42/33/671864233.db2.gz QFPWKJBJPPBXBR-AWEZNQCLSA-N -1 0 370.427 2.476 20 5 FEBDRM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120132632 671917714 /nfs/dbraw/zinc/91/77/14/671917714.db2.gz LBQRFKBBRYDCOI-UHFFFAOYSA-N -1 0 367.408 2.349 20 5 FEBDRM Cn1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)nc1Cl ZINC000120181668 671918648 /nfs/dbraw/zinc/91/86/48/671918648.db2.gz BDRLPXDWOGYYDN-UHFFFAOYSA-N -1 0 351.171 2.436 20 5 FEBDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000120617725 671930604 /nfs/dbraw/zinc/93/06/04/671930604.db2.gz JHIVLOYCQCRMAI-UHFFFAOYSA-N -1 0 366.370 2.480 20 5 FEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000582244933 671982081 /nfs/dbraw/zinc/98/20/81/671982081.db2.gz SCXOTISAMXOGCR-PWSUYJOCSA-N -1 0 354.384 2.246 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000582299227 671987491 /nfs/dbraw/zinc/98/74/91/671987491.db2.gz BAQHGQPNVLJWIX-IUODEOHRSA-N -1 0 356.400 2.215 20 5 FEBDRM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])CC(F)(F)F ZINC000582908343 672045728 /nfs/dbraw/zinc/04/57/28/672045728.db2.gz QYKGMFPHYPTDCA-SSDOTTSWSA-N -1 0 370.305 2.160 20 5 FEBDRM CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000130504140 672076526 /nfs/dbraw/zinc/07/65/26/672076526.db2.gz FGTHBFFFKFBKHD-UHFFFAOYSA-N -1 0 367.358 2.203 20 5 FEBDRM CSC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000584057139 672151928 /nfs/dbraw/zinc/15/19/28/672151928.db2.gz SFAYXEBFQMXYQS-SNVBAGLBSA-N -1 0 374.440 2.057 20 5 FEBDRM Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000158392575 672268957 /nfs/dbraw/zinc/26/89/57/672268957.db2.gz ANZHKZZPGLSNKN-UHFFFAOYSA-N -1 0 356.306 2.300 20 5 FEBDRM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174041866 672357331 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685527490 /nfs/dbraw/zinc/52/74/90/685527490.db2.gz YIISYRHXWAIUGQ-UHFFFAOYSA-N -1 0 352.821 2.195 20 5 FEBDRM CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000917446337 685532259 /nfs/dbraw/zinc/53/22/59/685532259.db2.gz MVNWBFXWVOULPG-UHFFFAOYSA-N -1 0 350.393 2.071 20 5 FEBDRM CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000852957601 682359943 /nfs/dbraw/zinc/35/99/43/682359943.db2.gz YBOCFLOHKPJGLR-JTQLQIEISA-N -1 0 353.331 2.370 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccccc2[N+](=O)[O-])cc(C)c1F ZINC000786502504 682382111 /nfs/dbraw/zinc/38/21/11/682382111.db2.gz QVEIXOXNLGHHST-UHFFFAOYSA-N -1 0 352.343 2.469 20 5 FEBDRM Cn1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)nc1Cl ZINC000788215849 682511997 /nfs/dbraw/zinc/51/19/97/682511997.db2.gz BGMPRDKBBOXTCX-UHFFFAOYSA-N -1 0 351.171 2.436 20 5 FEBDRM CC1(C)COCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000854326988 682537357 /nfs/dbraw/zinc/53/73/57/682537357.db2.gz GPGFCXWUDKURLZ-UHFFFAOYSA-N 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550563223 /nfs/dbraw/zinc/56/32/23/550563223.db2.gz DGCISLATOGCHRE-ZDUSSCGKSA-N -1 0 360.322 2.007 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000274920683 550565107 /nfs/dbraw/zinc/56/51/07/550565107.db2.gz JFLLVMCHJMGLCW-WBVHZDCISA-N -1 0 372.377 2.265 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[C@@H](C)C(=O)[O-])c1 ZINC000274943634 550566638 /nfs/dbraw/zinc/56/66/38/550566638.db2.gz GTFMIYWFNHGSJK-SECBINFHSA-N -1 0 364.807 2.336 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)cc(C2CC2)n1 ZINC000276690842 550585683 /nfs/dbraw/zinc/58/56/83/550585683.db2.gz VHNYHTUISDJPMJ-UHFFFAOYSA-N -1 0 364.383 2.380 20 5 FEBDRM O=C1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CN1CC1CCC1 ZINC000277912485 550728063 /nfs/dbraw/zinc/72/80/63/550728063.db2.gz MKNYLQOGUBEDFU-LBPRGKRZSA-N -1 0 358.354 2.466 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)[nH]n2)ccc1[N+](=O)[O-] ZINC000280388056 550988288 /nfs/dbraw/zinc/98/82/88/550988288.db2.gz 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DMTRCTUEZAAFJP-UHFFFAOYSA-N -1 0 356.400 2.144 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548261831 673944127 /nfs/dbraw/zinc/94/41/27/673944127.db2.gz FKRRBTJQHDIKFU-ZYHUDNBSSA-N -1 0 358.416 2.461 20 5 FEBDRM O=C([O-])[C@H]1CCCCCC[C@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548265344 673945278 /nfs/dbraw/zinc/94/52/78/673945278.db2.gz ALYAGBNDHIRWOD-LSDHHAIUSA-N -1 0 370.427 2.438 20 5 FEBDRM Cc1cc(C)cc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])c1 ZINC000548269411 673945778 /nfs/dbraw/zinc/94/57/78/673945778.db2.gz ZUIZTTCLGWWBOL-ZDUSSCGKSA-N -1 0 370.408 2.377 20 5 FEBDRM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000548526415 673965808 /nfs/dbraw/zinc/96/58/08/673965808.db2.gz XMEJKXBDTYQASK-MRVPVSSYSA-N -1 0 362.410 2.212 20 5 FEBDRM CC(C)C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000548554332 673970792 /nfs/dbraw/zinc/97/07/92/673970792.db2.gz HBRBWYFWNMRXLG-ZDUSSCGKSA-N -1 0 358.416 2.151 20 5 FEBDRM C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548588346 673976764 /nfs/dbraw/zinc/97/67/64/673976764.db2.gz LZEBDRXGLDFGDX-IUCAKERBSA-N -1 0 350.418 2.214 20 5 FEBDRM O=C([O-])c1c(NS(=O)(=O)c2ccc3c(c2)CCO3)cccc1[N+](=O)[O-] ZINC000548591018 673977553 /nfs/dbraw/zinc/97/75/53/673977553.db2.gz AMVKJGASADTHST-UHFFFAOYSA-N -1 0 364.335 2.029 20 5 FEBDRM CC(C)c1nnc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1C ZINC000566277390 675200220 /nfs/dbraw/zinc/20/02/20/675200220.db2.gz GRQFJTOJVZNLTP-UHFFFAOYSA-N -1 0 353.766 2.136 20 5 FEBDRM C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000818430296 675218892 /nfs/dbraw/zinc/21/88/92/675218892.db2.gz HKJGHKXBFKYMHU-PRHODGIISA-N -1 0 362.791 2.122 20 5 FEBDRM CCC(CC)(CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000818431650 675219276 /nfs/dbraw/zinc/21/92/76/675219276.db2.gz WXRPADKJEHKORR-UHFFFAOYSA-N -1 0 364.807 2.418 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000566596381 675227308 /nfs/dbraw/zinc/22/73/08/675227308.db2.gz VCARHNNKKHIRHM-DZGCQCFKSA-N -1 0 356.400 2.079 20 5 FEBDRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000819968388 675327718 /nfs/dbraw/zinc/32/77/18/675327718.db2.gz QTLTZZGIXRCJSG-MWLCHTKSSA-N -1 0 371.371 2.134 20 5 FEBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CC(C(F)F)C1 ZINC000827005960 675722832 /nfs/dbraw/zinc/72/28/32/675722832.db2.gz VNOHJJLBWOJUPU-UHFFFAOYSA-N -1 0 372.715 2.477 20 5 FEBDRM CC(C)(O)CCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000828896635 675850995 /nfs/dbraw/zinc/85/09/95/675850995.db2.gz MSGMRKYYMHMEIF-UHFFFAOYSA-N -1 0 368.777 2.030 20 5 FEBDRM CCn1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1C1CC1 ZINC000619467959 676378158 /nfs/dbraw/zinc/37/81/58/676378158.db2.gz PAGJULIBXOLSTE-UHFFFAOYSA-N -1 0 366.399 2.498 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000619466969 676378160 /nfs/dbraw/zinc/37/81/60/676378160.db2.gz GTJQXDXVCQGPJP-UHFFFAOYSA-N -1 0 366.399 2.492 20 5 FEBDRM CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000838817442 680720957 /nfs/dbraw/zinc/72/09/57/680720957.db2.gz OSVBCXGXJCPXJV-LLVKDONJSA-N -1 0 364.370 2.265 20 5 FEBDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000761425625 680723076 /nfs/dbraw/zinc/72/30/76/680723076.db2.gz CTYQPYPKACNLNE-LLVKDONJSA-N -1 0 358.416 2.481 20 5 FEBDRM CC[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000838866901 680723190 /nfs/dbraw/zinc/72/31/90/680723190.db2.gz HKZRRCADMCMCBG-VIFPVBQESA-N -1 0 350.343 2.390 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C(/C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000761430196 680723273 /nfs/dbraw/zinc/72/32/73/680723273.db2.gz WQNMRCNYVKWVIO-NTMALXAHSA-N -1 0 356.400 2.401 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C)C1 ZINC000838936380 680728157 /nfs/dbraw/zinc/72/81/57/680728157.db2.gz OWZSLELYOCVXAG-WDEREUQCSA-N -1 0 355.416 2.268 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)Cc1ccoc1 ZINC000839062484 680734933 /nfs/dbraw/zinc/73/49/33/680734933.db2.gz REWBPRPGPLYLBQ-UHFFFAOYSA-N -1 0 367.383 2.057 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000763927429 680795901 /nfs/dbraw/zinc/79/59/01/680795901.db2.gz IRGVVLMIYFNBOG-JTQLQIEISA-N -1 0 352.343 2.343 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)c1C ZINC000765047380 680828833 /nfs/dbraw/zinc/82/88/33/680828833.db2.gz MNUAETDGJKRGGR-UHFFFAOYSA-N -1 0 363.395 2.420 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)nc1N(C)C ZINC000749754577 680072543 /nfs/dbraw/zinc/07/25/43/680072543.db2.gz QDVYFCIWKHKLFY-UHFFFAOYSA-N -1 0 366.399 2.174 20 5 FEBDRM NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(F)c1 ZINC000749866160 680082125 /nfs/dbraw/zinc/08/21/25/680082125.db2.gz IDCQDOBTYPKDRC-UHFFFAOYSA-N -1 0 373.749 2.287 20 5 FEBDRM C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000750537992 680121263 /nfs/dbraw/zinc/12/12/63/680121263.db2.gz AQWBLBDNEGZQNX-SNVBAGLBSA-N -1 0 353.375 2.191 20 5 FEBDRM C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000750537989 680121379 /nfs/dbraw/zinc/12/13/79/680121379.db2.gz AQWBLBDNEGZQNX-JTQLQIEISA-N -1 0 353.375 2.191 20 5 FEBDRM CSc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1 ZINC000750755720 680131573 /nfs/dbraw/zinc/13/15/73/680131573.db2.gz MUWONPWBVITWJY-UHFFFAOYSA-N -1 0 367.408 2.139 20 5 FEBDRM CCCCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000750759144 680131617 /nfs/dbraw/zinc/13/16/17/680131617.db2.gz QUWLMRCPMGHQII-UHFFFAOYSA-N -1 0 363.395 2.451 20 5 FEBDRM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000834265101 680207704 /nfs/dbraw/zinc/20/77/04/680207704.db2.gz SRQHPJSTTIMAMO-NXEZZACHSA-N -1 0 353.375 2.332 20 5 FEBDRM C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000835116562 680297558 /nfs/dbraw/zinc/29/75/58/680297558.db2.gz JKANMDSINBMWMU-LKFCYVNXSA-N -1 0 371.371 2.134 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(F)F)ccc1[N+](=O)[O-] ZINC000835165966 680302948 /nfs/dbraw/zinc/30/29/48/680302948.db2.gz FMZBSSPEVSKXGW-UHFFFAOYSA-N -1 0 350.343 2.390 20 5 FEBDRM CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000835222249 680307950 /nfs/dbraw/zinc/30/79/50/680307950.db2.gz BHAIYBRDCKBLNT-CMPLNLGQSA-N -1 0 356.400 2.235 20 5 FEBDRM COC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000753881747 680321742 /nfs/dbraw/zinc/32/17/42/680321742.db2.gz TXYTYPNNWJKJCL-UHFFFAOYSA-N -1 0 362.791 2.012 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1F ZINC000835742892 680376093 /nfs/dbraw/zinc/37/60/93/680376093.db2.gz UFVSBBADIIGGTD-YYHMBLRTSA-N -1 0 370.402 2.472 20 5 FEBDRM 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CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000731409902 673329581 /nfs/dbraw/zinc/32/95/81/673329581.db2.gz DLUIYYDETBEDJI-SSDOTTSWSA-N -1 0 366.848 2.361 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ncoc1C(C)C ZINC000732497557 673369092 /nfs/dbraw/zinc/36/90/92/673369092.db2.gz OLXFTOLNAXBXLT-UHFFFAOYSA-N -1 0 353.356 2.133 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1Cc2ccccc2S1 ZINC000732618784 673375070 /nfs/dbraw/zinc/37/50/70/673375070.db2.gz JPKCUQLIYQYQPG-NSHDSACASA-N -1 0 370.433 2.178 20 5 FEBDRM CCSc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cn1 ZINC000732623316 673375251 /nfs/dbraw/zinc/37/52/51/673375251.db2.gz QVUHSLQOKFFGBM-UHFFFAOYSA-N -1 0 373.437 2.282 20 5 FEBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000597156008 673452077 /nfs/dbraw/zinc/45/20/77/673452077.db2.gz DXXZUYKMQFIHNN-AYVTZFPOSA-N -1 0 358.297 2.178 20 5 FEBDRM CCS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000538873339 673463988 /nfs/dbraw/zinc/46/39/88/673463988.db2.gz OIHDNHIOEJGAGX-UHFFFAOYSA-N -1 0 350.352 2.346 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000734737348 673471394 /nfs/dbraw/zinc/47/13/94/673471394.db2.gz PWYZBTCBUJRWBQ-GFCCVEGCSA-N -1 0 364.379 2.176 20 5 FEBDRM O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597698459 673500241 /nfs/dbraw/zinc/50/02/41/673500241.db2.gz RCYIIUGTEAXVCC-SNVBAGLBSA-N -1 0 361.320 2.305 20 5 FEBDRM C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000540464391 673540809 /nfs/dbraw/zinc/54/08/09/673540809.db2.gz SJHZUYWRLFHSRQ-NSHDSACASA-N -1 0 363.395 2.457 20 5 FEBDRM Cc1ccc(S(=O)(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598583567 673586329 /nfs/dbraw/zinc/58/63/29/673586329.db2.gz ASEVFBITEHTQEU-LBPRGKRZSA-N -1 0 358.416 2.237 20 5 FEBDRM CCC[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[C@@H]1C(=O)[O-] ZINC000598584719 673586593 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358.445 2.456 20 5 FEBDRM CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000599237065 673646264 /nfs/dbraw/zinc/64/62/64/673646264.db2.gz KBZGRAKFLUDHIV-ZETCQYMHSA-N -1 0 364.836 2.473 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000599289287 673654172 /nfs/dbraw/zinc/65/41/72/673654172.db2.gz WZBPJZWIILJGKU-KGLIPLIRSA-N -1 0 364.427 2.018 20 5 FEBDRM O=C([O-])C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000614314527 676169141 /nfs/dbraw/zinc/16/91/41/676169141.db2.gz KFENGIUZFMJPFX-LBPRGKRZSA-N -1 0 370.408 2.292 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(OC)n1 ZINC000742028480 673704316 /nfs/dbraw/zinc/70/43/16/673704316.db2.gz NSXDIWKGWOVJRG-UHFFFAOYSA-N -1 0 371.346 2.255 20 5 FEBDRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000544535531 673716817 /nfs/dbraw/zinc/71/68/17/673716817.db2.gz LTWUTZIYQBOIAI-UHFFFAOYSA-N -1 0 353.256 2.311 20 5 FEBDRM 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ZINC000600651559 673785946 /nfs/dbraw/zinc/78/59/46/673785946.db2.gz YXSGHNKRSXNMMS-UHFFFAOYSA-N -1 0 363.355 2.148 20 5 FEBDRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000744207055 673786878 /nfs/dbraw/zinc/78/68/78/673786878.db2.gz MEFTZRQDUNLHKE-UHFFFAOYSA-N -1 0 350.352 2.031 20 5 FEBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000600664657 673788941 /nfs/dbraw/zinc/78/89/41/673788941.db2.gz DXRUVZLKSCOWTR-UHFFFAOYSA-N -1 0 364.326 2.103 20 5 FEBDRM O=C([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000600666401 673789188 /nfs/dbraw/zinc/78/91/88/673789188.db2.gz RXTKSCPMOIQTQC-LLVKDONJSA-N -1 0 354.384 2.318 20 5 FEBDRM CC(C)c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)cc1[N+](=O)[O-] ZINC000600876467 673804945 /nfs/dbraw/zinc/80/49/45/673804945.db2.gz FCKQFZHWASEWNU-KRWDZBQOSA-N -1 0 350.371 2.329 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1scnc1Cl ZINC000744938856 673817871 /nfs/dbraw/zinc/81/78/71/673817871.db2.gz QEIDLZLRFISKRQ-UHFFFAOYSA-N -1 0 361.788 2.132 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000546968211 673829400 /nfs/dbraw/zinc/82/94/00/673829400.db2.gz JWZLPXALQOYTDK-AOOOYVTPSA-N -1 0 356.400 2.268 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1C(=O)[O-] ZINC000546964273 673829419 /nfs/dbraw/zinc/82/94/19/673829419.db2.gz YRVFHIANZDCFLC-UHFFFAOYSA-N -1 0 362.363 2.353 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547888468 673897970 /nfs/dbraw/zinc/89/79/70/673897970.db2.gz JWESOALFZSTJKY-ZFWWWQNUSA-N -1 0 356.400 2.215 20 5 FEBDRM CC[C@H](C)[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000547905291 673901787 /nfs/dbraw/zinc/90/17/87/673901787.db2.gz KLBHKUNFJUTXFF-XDTLVQLUSA-N -1 0 374.440 2.158 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)c1C ZINC000547908961 673902663 /nfs/dbraw/zinc/90/26/63/673902663.db2.gz YDSNGQMMWBZPBW-UHFFFAOYSA-N -1 0 358.416 2.333 20 5 FEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000547936374 673907008 /nfs/dbraw/zinc/90/70/08/673907008.db2.gz ZOZQELPTXHMPDO-WCQYABFASA-N -1 0 358.416 2.294 20 5 FEBDRM Cc1sc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000548214298 673935852 /nfs/dbraw/zinc/93/58/52/673935852.db2.gz KVPZGCAWCRTQTH-SECBINFHSA-N -1 0 364.445 2.380 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1C ZINC000548261172 673944169 /nfs/dbraw/zinc/94/41/69/673944169.db2.gz HMRPJHUIODMDGC-ZDUSSCGKSA-N -1 0 370.408 2.377 20 5 FEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000548262575 673944385 /nfs/dbraw/zinc/94/43/85/673944385.db2.gz OFKWMVJPAHWKIT-GXFFZTMASA-N -1 0 358.416 2.461 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)N(C(C)C)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548547899 673969282 /nfs/dbraw/zinc/96/92/82/673969282.db2.gz IVRFROAYKOEHIT-SECBINFHSA-N -1 0 364.807 2.429 20 5 FEBDRM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000548546226 673969390 /nfs/dbraw/zinc/96/93/90/673969390.db2.gz ZVTXCUMEXDXSRB-MFKMUULPSA-N -1 0 362.791 2.170 20 5 FEBDRM CSCC[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566316292 675203919 /nfs/dbraw/zinc/20/39/19/675203919.db2.gz NYGPDWWTEQFEAB-VIFPVBQESA-N -1 0 362.429 2.055 20 5 FEBDRM CC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000566843185 675246783 /nfs/dbraw/zinc/24/67/83/675246783.db2.gz DZLDWOXUUUAMRV-HNNXBMFYSA-N -1 0 356.400 2.230 20 5 FEBDRM O=C([O-])c1cccc(S(=O)(=O)NC[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000566975799 675257710 /nfs/dbraw/zinc/25/77/10/675257710.db2.gz HEGQIRDNOVLNKY-QMMMGPOBSA-N -1 0 364.326 2.007 20 5 FEBDRM CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567435165 675292734 /nfs/dbraw/zinc/29/27/34/675292734.db2.gz FGBXYBIIPSXVKB-UHFFFAOYSA-N -1 0 354.315 2.257 20 5 FEBDRM O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819970477 675328248 /nfs/dbraw/zinc/32/82/48/675328248.db2.gz LNNTVZJFYFQNHF-QMMMGPOBSA-N -1 0 352.734 2.357 20 5 FEBDRM Cc1cc(Cl)c(C(=O)NC2(c3nnn[n-]3)CCCC2)cc1[N+](=O)[O-] ZINC000828083046 675796917 /nfs/dbraw/zinc/79/69/17/675796917.db2.gz JSRYNHMQCUNLSC-UHFFFAOYSA-N -1 0 350.766 2.269 20 5 FEBDRM Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)on1 ZINC000604033299 675802945 /nfs/dbraw/zinc/80/29/45/675802945.db2.gz DATSFYAZYHZSKQ-LLVKDONJSA-N -1 0 353.356 2.123 20 5 FEBDRM CC(C)COC1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000604041258 675803333 /nfs/dbraw/zinc/80/33/33/675803333.db2.gz MYZCPLLSLPNBRO-UHFFFAOYSA-N -1 0 358.416 2.126 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(OC)n1 ZINC000604471209 675805374 /nfs/dbraw/zinc/80/53/74/675805374.db2.gz HGSXNRYXIFTGRO-UHFFFAOYSA-N -1 0 353.356 2.116 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-] ZINC000619470607 676378586 /nfs/dbraw/zinc/37/85/86/676378586.db2.gz 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CC[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000838791019 680719606 /nfs/dbraw/zinc/71/96/06/680719606.db2.gz NWWHCIGBYVNPOC-VIFPVBQESA-N -1 0 350.343 2.390 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000761421533 680722928 /nfs/dbraw/zinc/72/29/28/680722928.db2.gz VTFDLNIJCXCOAM-UHFFFAOYSA-N -1 0 372.305 2.000 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000761430660 680723165 /nfs/dbraw/zinc/72/31/65/680723165.db2.gz GWPUCSHPMSXOLL-UHFFFAOYSA-N -1 0 368.342 2.170 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000761429519 680723264 /nfs/dbraw/zinc/72/32/64/680723264.db2.gz SJEWILBBYUCNEK-UHFFFAOYSA-N -1 0 370.770 2.376 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)COC(C)(C)C ZINC000839062991 680735120 /nfs/dbraw/zinc/73/51/20/680735120.db2.gz WADFCEGANCGDCD-UHFFFAOYSA-N -1 0 373.431 2.037 20 5 FEBDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccn2C)cc1[N+](=O)[O-] ZINC000839067065 680735482 /nfs/dbraw/zinc/73/54/82/680735482.db2.gz OIQKOEGCXDFJMD-UHFFFAOYSA-N -1 0 351.384 2.175 20 5 FEBDRM CC(F)(F)CCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762739673 680760300 /nfs/dbraw/zinc/76/03/00/680760300.db2.gz QIBDHAGNPWJOSJ-UHFFFAOYSA-N -1 0 350.343 2.019 20 5 FEBDRM CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000750756984 680131492 /nfs/dbraw/zinc/13/14/92/680131492.db2.gz YLSQCEOZJFTHES-CYBMUJFWSA-N -1 0 363.395 2.064 20 5 FEBDRM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)co1 ZINC000832478517 680138071 /nfs/dbraw/zinc/13/80/71/680138071.db2.gz MSFARLRIINPESP-UHFFFAOYSA-N -1 0 363.754 2.416 20 5 FEBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000833880964 680200900 /nfs/dbraw/zinc/20/09/00/680200900.db2.gz PNAJDFVCUCFKSP-UHFFFAOYSA-N -1 0 351.359 2.208 20 5 FEBDRM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000752247350 680231886 /nfs/dbraw/zinc/23/18/86/680231886.db2.gz MGRLUIOAKCQIAN-ZETCQYMHSA-N -1 0 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O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436923421 559956686 /nfs/dbraw/zinc/95/66/86/559956686.db2.gz CMRYTOPQNSQQAX-CQSZACIVSA-N -1 0 355.350 2.226 20 5 FEBDRM NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436944812 559957136 /nfs/dbraw/zinc/95/71/36/559957136.db2.gz CPLGHDRLBKKLKV-UHFFFAOYSA-N -1 0 370.365 2.252 20 5 FEBDRM O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436950732 559957295 /nfs/dbraw/zinc/95/72/95/559957295.db2.gz CIFDMRNLGXLMMM-CQSZACIVSA-N -1 0 373.390 2.454 20 5 FEBDRM CCOc1ccc(NC(=O)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436946633 559957360 /nfs/dbraw/zinc/95/73/60/559957360.db2.gz DJWBMSWNQJCUEZ-UHFFFAOYSA-N -1 0 359.338 2.068 20 5 FEBDRM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961083 559957496 /nfs/dbraw/zinc/95/74/96/559957496.db2.gz ADRAWZAHCFGFMD-HNNXBMFYSA-N -1 0 356.334 2.041 20 5 FEBDRM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436961826 559957608 /nfs/dbraw/zinc/95/76/08/559957608.db2.gz VARXTBNFHMYNIV-UHFFFAOYSA-N -1 0 365.367 2.314 20 5 FEBDRM O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436974211 559958119 /nfs/dbraw/zinc/95/81/19/559958119.db2.gz XBZJHGRYRYGNCN-UKRRQHHQSA-N -1 0 366.320 2.268 20 5 FEBDRM CCOC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(O)c1 ZINC000436972837 559958127 /nfs/dbraw/zinc/95/81/27/559958127.db2.gz QGVFNJSQRKPAHN-HNNXBMFYSA-N -1 0 360.322 2.040 20 5 FEBDRM CS(=O)(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436994754 559959001 /nfs/dbraw/zinc/95/90/01/559959001.db2.gz FOYWFCOSYKJDNO-UHFFFAOYSA-N -1 0 364.379 2.140 20 5 FEBDRM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)ccn1)OCCO2 ZINC000446710613 560150222 /nfs/dbraw/zinc/15/02/22/560150222.db2.gz GJJHSHCIBCDRQF-UHFFFAOYSA-N -1 0 371.758 2.215 20 5 FEBDRM COCc1nc(=NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)s[n-]1 ZINC000448342266 560185090 /nfs/dbraw/zinc/18/50/90/560185090.db2.gz PNUJEUCAWQRAPG-UHFFFAOYSA-N -1 0 362.289 2.286 20 5 FEBDRM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000448515277 560188782 /nfs/dbraw/zinc/18/87/82/560188782.db2.gz PSSXFADIMCNUBT-UHFFFAOYSA-N -1 0 353.260 2.930 20 5 FEBDRM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H](C)O ZINC000451892639 560335174 /nfs/dbraw/zinc/33/51/74/560335174.db2.gz OBGWZRVIOLJHMZ-HZGVNTEJSA-N -1 0 357.215 2.339 20 5 FEBDRM C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455942544 560501261 /nfs/dbraw/zinc/50/12/61/560501261.db2.gz KVMIVXBUEXRDOH-CXAGYDPISA-N -1 0 372.377 2.422 20 5 FEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000456658460 560527626 /nfs/dbraw/zinc/52/76/26/560527626.db2.gz RLJYRGXCTOGZIU-NEPJUHHUSA-N -1 0 369.377 2.397 20 5 FEBDRM Cc1cccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1Br ZINC000461106683 560761505 /nfs/dbraw/zinc/76/15/05/560761505.db2.gz IWIQCDJXAZPUPS-UHFFFAOYSA-N -1 0 372.200 2.283 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000461790084 560783803 /nfs/dbraw/zinc/78/38/03/560783803.db2.gz GZEAEHKWNJJHPQ-GFCCVEGCSA-N -1 0 360.407 2.201 20 5 FEBDRM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000463471031 560816248 /nfs/dbraw/zinc/81/62/48/560816248.db2.gz QAVAYCUWPXJRFU-UHFFFAOYSA-N -1 0 353.356 2.116 20 5 FEBDRM CC(=O)Nc1ncccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000466962340 560900509 /nfs/dbraw/zinc/90/05/09/560900509.db2.gz USAWJHVUSSUVMZ-UHFFFAOYSA-N -1 0 350.356 2.057 20 5 FEBDRM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000467770473 560917001 /nfs/dbraw/zinc/91/70/01/560917001.db2.gz MSJGCDISBVHFGE-UHFFFAOYSA-N -1 0 365.367 2.084 20 5 FEBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccsc1 ZINC000468864791 560940881 /nfs/dbraw/zinc/94/08/81/560940881.db2.gz HBEJCQDVZYRTDA-GFCCVEGCSA-N -1 0 370.408 2.157 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 ZINC000468974426 560943807 /nfs/dbraw/zinc/94/38/07/560943807.db2.gz NQYURAKZNSVHET-UHFFFAOYSA-N -1 0 368.367 2.421 20 5 FEBDRM COC(=O)c1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000469060214 560946156 /nfs/dbraw/zinc/94/61/56/560946156.db2.gz WSLWXBJACOMXMD-UHFFFAOYSA-N -1 0 374.305 2.126 20 5 FEBDRM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471127002 560998936 /nfs/dbraw/zinc/99/89/36/560998936.db2.gz HCSUGWPHDMXXBC-JTQLQIEISA-N -1 0 362.363 2.433 20 5 FEBDRM COC(=O)c1csc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475831186 561106459 /nfs/dbraw/zinc/10/64/59/561106459.db2.gz LALUVTDXCRKLRM-UHFFFAOYSA-N -1 0 360.344 2.383 20 5 FEBDRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000476931578 561132296 /nfs/dbraw/zinc/13/22/96/561132296.db2.gz YAGUPPWHZJVFAO-UHFFFAOYSA-N -1 0 353.356 2.116 20 5 FEBDRM Cc1cc(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000531744912 562455260 /nfs/dbraw/zinc/45/52/60/562455260.db2.gz WBYQAAXEXAGWRL-UHFFFAOYSA-N -1 0 371.349 2.360 20 5 FEBDRM COc1cccc([C@H](CC(=O)[O-])NC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000532003202 562463706 /nfs/dbraw/zinc/46/37/06/562463706.db2.gz MTINPJLGSNTPNY-INIZCTEOSA-N -1 0 374.349 2.314 20 5 FEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000532676094 562485290 /nfs/dbraw/zinc/48/52/90/562485290.db2.gz DRQRCOCVWFJSHS-LBPRGKRZSA-N -1 0 358.354 2.107 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c([N+](=O)[O-])n1 ZINC000533785632 562517895 /nfs/dbraw/zinc/51/78/95/562517895.db2.gz WZXSGPSNIPTLHG-UHFFFAOYSA-N -1 0 366.399 2.326 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c([N+](=O)[O-])n1 ZINC000535233743 562553516 /nfs/dbraw/zinc/55/35/16/562553516.db2.gz LRPRKWSNRFOZME-UHFFFAOYSA-N -1 0 374.382 2.069 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)ccc1[N+](=O)[O-] ZINC000535508935 562560139 /nfs/dbraw/zinc/56/01/39/562560139.db2.gz XSXXBTNTWQUCKX-UHFFFAOYSA-N -1 0 366.277 2.146 20 5 FEBDRM COc1cc(CCNC(=O)c2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000537368668 562590168 /nfs/dbraw/zinc/59/01/68/562590168.db2.gz MUUOYGJSMITYLG-UHFFFAOYSA-N -1 0 374.349 2.283 20 5 FEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000541083535 562602644 /nfs/dbraw/zinc/60/26/44/562602644.db2.gz TUSHAZXEMKTIND-UHFFFAOYSA-N -1 0 365.367 2.194 20 5 FEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cn(Cc2ccccn2)nn1 ZINC000541821075 562620488 /nfs/dbraw/zinc/62/04/88/562620488.db2.gz KRSAXGIPVFOWHA-UHFFFAOYSA-N -1 0 374.744 2.241 20 5 FEBDRM CC(C)(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C(C)(C)C1 ZINC000541824557 562620599 /nfs/dbraw/zinc/62/05/99/562620599.db2.gz AARQOECLSYIGHP-UHFFFAOYSA-N -1 0 363.414 2.410 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000541826220 562620819 /nfs/dbraw/zinc/62/08/19/562620819.db2.gz UZSWIWJZEGOYLD-SECBINFHSA-N -1 0 358.342 2.067 20 5 FEBDRM CCCN(CC1CC1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000545554402 562628782 /nfs/dbraw/zinc/62/87/82/562628782.db2.gz URKJEUMECRUTBL-UHFFFAOYSA-N -1 0 356.400 2.412 20 5 FEBDRM O=C([O-])COc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000541853263 567977688 /nfs/dbraw/zinc/97/76/88/567977688.db2.gz ZQDFENBHORLMHI-UHFFFAOYSA-N -1 0 360.278 2.039 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C(=O)[O-])c1 ZINC000568361285 568033531 /nfs/dbraw/zinc/03/35/31/568033531.db2.gz CKOOBYWNVWCGKW-AWEZNQCLSA-N -1 0 370.427 2.476 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000604023609 568200307 /nfs/dbraw/zinc/20/03/07/568200307.db2.gz KQSFPOMUESGCGQ-SNVBAGLBSA-N -1 0 370.408 2.459 20 5 FEBDRM Cc1ccc([C@@H](C)NC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1[N+](=O)[O-] ZINC000569064884 568291397 /nfs/dbraw/zinc/29/13/97/568291397.db2.gz FGDRLAWHEDVPGO-MEBBXXQBSA-N -1 0 353.400 2.224 20 5 FEBDRM CN(C[C@@H]1CCCN1c1cccnn1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000570046949 568443241 /nfs/dbraw/zinc/44/32/41/568443241.db2.gz NLLFMBPTOZDGPZ-ZDUSSCGKSA-N -1 0 357.370 2.188 20 5 FEBDRM C[C@H](CCc1ccco1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000570088809 568458410 /nfs/dbraw/zinc/45/84/10/568458410.db2.gz PPFFZJDTGDYHMS-SNVBAGLBSA-N -1 0 368.367 2.186 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC(C)(C)[C@H]1C(=O)[O-] ZINC000570508145 568489653 /nfs/dbraw/zinc/48/96/53/568489653.db2.gz PFYAXBSVPMEUGW-CQSZACIVSA-N -1 0 370.427 2.421 20 5 FEBDRM C[C@@]1(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC[C@H]1C(=O)[O-] ZINC000570926244 568719208 /nfs/dbraw/zinc/71/92/08/568719208.db2.gz RXASQFQRXBBNQV-DZGCQCFKSA-N -1 0 356.400 2.048 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000556702015 674413781 /nfs/dbraw/zinc/41/37/81/674413781.db2.gz AUEAYXWVGPSWRM-ZOWXZIJZSA-N -1 0 368.411 2.085 20 5 FEBDRM CC(C)C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000578868295 597066846 /nfs/dbraw/zinc/06/68/46/597066846.db2.gz YPWDJPLDWJZVRT-AWEZNQCLSA-N -1 0 363.414 2.427 20 5 FEBDRM CCOc1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000610892094 597095620 /nfs/dbraw/zinc/09/56/20/597095620.db2.gz RXKCEIIHOYYZBS-NSHDSACASA-N -1 0 366.370 2.329 20 5 FEBDRM CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)[C@@H](C)C(=O)[O-])c1=S ZINC000818357458 597226490 /nfs/dbraw/zinc/22/64/90/597226490.db2.gz OTKYWCNGGTXXOC-JTQLQIEISA-N -1 0 365.415 2.372 20 5 FEBDRM Cc1c(Br)cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000820934234 597385833 /nfs/dbraw/zinc/38/58/33/597385833.db2.gz MTSCDRDKHNWBDE-SNVBAGLBSA-N -1 0 357.160 2.355 20 5 FEBDRM O=C1OCc2c1cccc2[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000808127587 674443231 /nfs/dbraw/zinc/44/32/31/674443231.db2.gz KWZLRGHSPIDKJK-UHFFFAOYSA-N -1 0 352.299 2.205 20 5 FEBDRM COc1ccc([C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737958841 599762670 /nfs/dbraw/zinc/76/26/70/599762670.db2.gz KANUDEFUUWYMRY-KRWDZBQOSA-N -1 0 374.349 2.314 20 5 FEBDRM COc1cc(C(=O)N(C)C(C)(C)C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000737844039 599826114 /nfs/dbraw/zinc/82/61/14/599826114.db2.gz GKXBCBBALOFDEY-UHFFFAOYSA-N -1 0 362.285 2.140 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(F)c1C(=O)[O-] ZINC000737905178 599856722 /nfs/dbraw/zinc/85/67/22/599856722.db2.gz GJYOYUVEVSROSK-UHFFFAOYSA-N -1 0 363.301 2.491 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000737190809 599921601 /nfs/dbraw/zinc/92/16/01/599921601.db2.gz DASPXWGHXGDGBI-JTQLQIEISA-N -1 0 366.370 2.327 20 5 FEBDRM Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2C=O)cc1[N+](=O)[O-] ZINC000738660889 599941634 /nfs/dbraw/zinc/94/16/34/599941634.db2.gz XRQDMBFDNXMEQN-UHFFFAOYSA-N -1 0 365.319 2.182 20 5 FEBDRM O=C([O-])c1cc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cc([N+](=O)[O-])c1 ZINC000738673524 599973469 /nfs/dbraw/zinc/97/34/69/599973469.db2.gz QMLYQJFYXFWRTD-UHFFFAOYSA-N -1 0 370.321 2.289 20 5 FEBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000738475684 599986272 /nfs/dbraw/zinc/98/62/72/599986272.db2.gz BSZBQAVMZDCXPY-UHFFFAOYSA-N -1 0 363.301 2.340 20 5 FEBDRM O=C([O-])c1cccn2cc(COC(=O)c3cc(F)ccc3[N+](=O)[O-])nc12 ZINC000740297007 599990489 /nfs/dbraw/zinc/99/04/89/599990489.db2.gz LPUSXENQOMSYQW-UHFFFAOYSA-N -1 0 359.269 2.437 20 5 FEBDRM Cc1cc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000738406367 600046931 /nfs/dbraw/zinc/04/69/31/600046931.db2.gz ODJULHUHSGJZGS-UHFFFAOYSA-N -1 0 371.349 2.199 20 5 FEBDRM O=C([O-])c1coc(C(=O)COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)c1 ZINC000740257243 600140506 /nfs/dbraw/zinc/14/05/06/600140506.db2.gz NCUAWRHCRDAHRX-UHFFFAOYSA-N -1 0 358.262 2.407 20 5 FEBDRM Cc1ccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000738568911 600171264 /nfs/dbraw/zinc/17/12/64/600171264.db2.gz NUYIBZIXZTXGLA-ZDUSSCGKSA-N -1 0 364.379 2.050 20 5 FEBDRM CC(C)C[C@@H](NC(=O)COC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736417645 600174657 /nfs/dbraw/zinc/17/46/57/600174657.db2.gz YRJFYJYLFQRPTB-SNVBAGLBSA-N -1 0 372.761 2.021 20 5 FEBDRM CCOC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737146014 600188822 /nfs/dbraw/zinc/18/88/22/600188822.db2.gz KNLYDTFXPQULRF-SNVBAGLBSA-N -1 0 365.342 2.100 20 5 FEBDRM Cc1nn(C)c2ncc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc12 ZINC000738917887 600189078 /nfs/dbraw/zinc/18/90/78/600189078.db2.gz HIZIPUHHAKFZJL-UHFFFAOYSA-N -1 0 355.310 2.135 20 5 FEBDRM O=C([O-])CCc1nc(COC(=O)c2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000739769567 600193301 /nfs/dbraw/zinc/19/33/01/600193301.db2.gz SYBSUSZCABXZSE-UHFFFAOYSA-N -1 0 355.690 2.005 20 5 FEBDRM Cc1cc(S(=O)(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000558875473 600237735 /nfs/dbraw/zinc/23/77/35/600237735.db2.gz FSTIAQAEOYZROJ-HNNXBMFYSA-N -1 0 364.379 2.350 20 5 FEBDRM COc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000737993947 600442454 /nfs/dbraw/zinc/44/24/54/600442454.db2.gz CTFNTOCREUEAEY-UHFFFAOYSA-N -1 0 374.349 2.339 20 5 FEBDRM 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YEVGVOZYOSXBMU-CQSZACIVSA-N -1 0 359.338 2.342 20 5 FEBDRM COc1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000739854347 603024503 /nfs/dbraw/zinc/02/45/03/603024503.db2.gz XRCCUVADNHJNFS-CYBMUJFWSA-N -1 0 359.338 2.342 20 5 FEBDRM CCCN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739361846 603049007 /nfs/dbraw/zinc/04/90/07/603049007.db2.gz HVDQQLQJEJNSIH-AWEZNQCLSA-N -1 0 374.401 2.275 20 5 FEBDRM CN(C[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1)C(=O)[O-] ZINC000739639169 603051765 /nfs/dbraw/zinc/05/17/65/603051765.db2.gz ZRJPWTIMWHJFJZ-CYBMUJFWSA-N -1 0 374.401 2.133 20 5 FEBDRM O=C([O-])NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)Cc2ccccc2C1 ZINC000740534602 603077495 /nfs/dbraw/zinc/07/74/95/603077495.db2.gz SXVJZESWWBHKMO-UHFFFAOYSA-N -1 0 367.361 2.289 20 5 FEBDRM O=C([O-])N1CCCC[C@H]1COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000740716238 603146258 /nfs/dbraw/zinc/14/62/58/603146258.db2.gz GCSCVSDQXOZMBN-ZDUSSCGKSA-N -1 0 374.353 2.470 20 5 FEBDRM O=C([O-])N1CCCC[C@@H]1COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740718236 603148143 /nfs/dbraw/zinc/14/81/43/603148143.db2.gz STOWWZINNCWVBR-CQSZACIVSA-N -1 0 374.353 2.470 20 5 FEBDRM Cc1sc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000558862869 674518290 /nfs/dbraw/zinc/51/82/90/674518290.db2.gz SOQCWQJWZJGJAZ-UHFFFAOYSA-N -1 0 370.408 2.240 20 5 FEBDRM COc1ccc(CNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739905317 603177548 /nfs/dbraw/zinc/17/75/48/603177548.db2.gz IPDALIABHTXWJX-RYUDHWBXSA-N -1 0 351.359 2.046 20 5 FEBDRM Nc1ccc(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1[N+](=O)[O-] ZINC000740342253 603219534 /nfs/dbraw/zinc/21/95/34/603219534.db2.gz SQBBRDZGANYGFJ-UHFFFAOYSA-N -1 0 356.338 2.465 20 5 FEBDRM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739202155 603223465 /nfs/dbraw/zinc/22/34/65/603223465.db2.gz FKXNOIMZQGVFFI-PRHODGIISA-N -1 0 371.777 2.481 20 5 FEBDRM O=C([O-])N1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000739928409 603233237 /nfs/dbraw/zinc/23/32/37/603233237.db2.gz XEYZCHCRBMNCEL-CYBMUJFWSA-N -1 0 362.386 2.385 20 5 FEBDRM CC(C)(CNC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000738748959 603291277 /nfs/dbraw/zinc/29/12/77/603291277.db2.gz JELSDIZXRJSVFU-UHFFFAOYSA-N -1 0 360.164 2.133 20 5 FEBDRM O=C([O-])N(CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCO1 ZINC000740362624 603411760 /nfs/dbraw/zinc/41/17/60/603411760.db2.gz ALEUXMFXWJTEGT-JTQLQIEISA-N -1 0 357.750 2.346 20 5 FEBDRM COc1ccc(CC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000829340044 603472254 /nfs/dbraw/zinc/47/22/54/603472254.db2.gz DLRRHYOVLKRXNK-UHFFFAOYSA-N -1 0 365.386 2.183 20 5 FEBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000832500952 603503171 /nfs/dbraw/zinc/50/31/71/603503171.db2.gz ZVIDOKGHLYUJQC-NHYWBVRUSA-N -1 0 374.353 2.374 20 5 FEBDRM Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000830252310 603702410 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COC(=O)c1cc(N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000828743464 604830774 /nfs/dbraw/zinc/83/07/74/604830774.db2.gz NLXHURSXDRHADK-ZWNOBZJWSA-N -1 0 351.359 2.172 20 5 FEBDRM CN(C[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000828266543 604830975 /nfs/dbraw/zinc/83/09/75/604830975.db2.gz HKUDKSJLRFFKPQ-MRVPVSSYSA-N -1 0 359.180 2.188 20 5 FEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000576358565 604900166 /nfs/dbraw/zinc/90/01/66/604900166.db2.gz AGPZELAJUKLOBK-ZDUSSCGKSA-N -1 0 370.427 2.247 20 5 FEBDRM O=C([O-])c1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000833310647 604918177 /nfs/dbraw/zinc/91/81/77/604918177.db2.gz ZJXFDXSSGARDMO-UHFFFAOYSA-N -1 0 373.340 2.395 20 5 FEBDRM C[C@]1(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCC[C@H]1C(=O)[O-] ZINC000833569069 604968881 /nfs/dbraw/zinc/96/88/81/604968881.db2.gz HZYYURVCIAQSDQ-GUYCJALGSA-N -1 0 360.370 2.094 20 5 FEBDRM C[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] 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CCC(CC)(CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000598589439 673587102 /nfs/dbraw/zinc/58/71/02/673587102.db2.gz NIIQMZVDHODGCN-UHFFFAOYSA-N -1 0 358.416 2.381 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccc(C(C)(C)C)cc2)n1 ZINC000599215913 673642116 /nfs/dbraw/zinc/64/21/16/673642116.db2.gz MERUBYNBPPVBAF-UHFFFAOYSA-N -1 0 366.443 2.147 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000599223076 673643595 /nfs/dbraw/zinc/64/35/95/673643595.db2.gz HYBHIICDZOYKRY-KBPBESRZSA-N -1 0 364.427 2.333 20 5 FEBDRM CCC(CC)(C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599249297 673648291 /nfs/dbraw/zinc/64/82/91/673648291.db2.gz GFEIDAYIKNJCGT-UHFFFAOYSA-N -1 0 366.443 2.365 20 5 FEBDRM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CO2 ZINC000599374566 673665799 /nfs/dbraw/zinc/66/57/99/673665799.db2.gz IIZSJYZKOWDGOQ-LLVKDONJSA-N -1 0 366.370 2.324 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1C ZINC000614376911 676171942 /nfs/dbraw/zinc/17/19/42/676171942.db2.gz HTLPGVBYBZHIEJ-ZDUSSCGKSA-N -1 0 370.427 2.477 20 5 FEBDRM CC(C)Oc1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000742279961 673718321 /nfs/dbraw/zinc/71/83/21/673718321.db2.gz PKXJBDLMGGMWEX-UHFFFAOYSA-N -1 0 351.384 2.256 20 5 FEBDRM Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000545332395 673760343 /nfs/dbraw/zinc/76/03/43/673760343.db2.gz JFZIZWBOUFVBQL-UHFFFAOYSA-N -1 0 350.278 2.148 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000744040942 673780204 /nfs/dbraw/zinc/78/02/04/673780204.db2.gz OUMRGFCSBDUKCL-DGCLKSJQSA-N -1 0 356.400 2.056 20 5 FEBDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000744083951 673781606 /nfs/dbraw/zinc/78/16/06/673781606.db2.gz FLNOASAAFCVOAH-NXEZZACHSA-N -1 0 371.371 2.134 20 5 FEBDRM CC(C)OCc1cccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000600644962 673784862 /nfs/dbraw/zinc/78/48/62/673784862.db2.gz HTBCKCHPHKVBTI-UHFFFAOYSA-N -1 0 354.388 2.054 20 5 FEBDRM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cnc1OC ZINC000600658456 673787175 /nfs/dbraw/zinc/78/71/75/673787175.db2.gz FIYVXQJWRJIZGW-UHFFFAOYSA-N -1 0 367.383 2.425 20 5 FEBDRM C[C@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000600665249 673788951 /nfs/dbraw/zinc/78/89/51/673788951.db2.gz FKGISXITQYUIDN-RTUWITSCSA-N -1 0 354.384 2.008 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000600666192 673789213 /nfs/dbraw/zinc/78/92/13/673789213.db2.gz MQQQULUCQDGAKW-YDHLFZDLSA-N -1 0 368.411 2.167 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000600667155 673789508 /nfs/dbraw/zinc/78/95/08/673789508.db2.gz AYACROLSPMAFOG-UHFFFAOYSA-N -1 0 350.356 2.072 20 5 FEBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCOCC2CC2)c2cnccc21 ZINC000600668146 673789721 /nfs/dbraw/zinc/78/97/21/673789721.db2.gz SMIGFOLNMYEPHV-UHFFFAOYSA-N -1 0 351.384 2.311 20 5 FEBDRM CC(C)CCc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nc1 ZINC000600668030 673789884 /nfs/dbraw/zinc/78/98/84/673789884.db2.gz IBFWVONYZJPIFC-UHFFFAOYSA-N -1 0 353.404 2.113 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000546262898 673798730 /nfs/dbraw/zinc/79/87/30/673798730.db2.gz ZYSFSSRBJVVTNT-AWEZNQCLSA-N -1 0 354.384 2.246 20 5 FEBDRM CCc1ccc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000600877220 673805291 /nfs/dbraw/zinc/80/52/91/673805291.db2.gz PURJNSLSLQRSFR-SMDDNHRTSA-N -1 0 350.371 2.157 20 5 FEBDRM CC(=O)N(C)c1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000745979689 673859861 /nfs/dbraw/zinc/85/98/61/673859861.db2.gz CFICGTHVIRXGAE-UHFFFAOYSA-N -1 0 365.367 2.084 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cccc2c1CCOC2 ZINC000601521328 673876645 /nfs/dbraw/zinc/87/66/45/673876645.db2.gz XEFGIIKBJLDFSK-UHFFFAOYSA-N -1 0 366.370 2.285 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)COc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000746431916 673877736 /nfs/dbraw/zinc/87/77/36/673877736.db2.gz ONLOXYZYNUNFAL-UHFFFAOYSA-N -1 0 370.408 2.157 20 5 FEBDRM Cc1sc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000547879054 673896146 /nfs/dbraw/zinc/89/61/46/673896146.db2.gz FDIQAHCHUFENMX-CYBMUJFWSA-N -1 0 370.408 2.377 20 5 FEBDRM O=C([O-])CCC1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000547909339 673902735 /nfs/dbraw/zinc/90/27/35/673902735.db2.gz IJAXSVSLMZRLAJ-UHFFFAOYSA-N -1 0 370.427 2.044 20 5 FEBDRM C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547932761 673906387 /nfs/dbraw/zinc/90/63/87/673906387.db2.gz IVUBOMPGYMLFTR-NWDGAFQWSA-N -1 0 358.416 2.294 20 5 FEBDRM CC1([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])CCCCC1 ZINC000548028328 673916094 /nfs/dbraw/zinc/91/60/94/673916094.db2.gz VTARRNFWWAHNGQ-NSHDSACASA-N -1 0 362.429 2.358 20 5 FEBDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000548241441 673940872 /nfs/dbraw/zinc/94/08/72/673940872.db2.gz KYOKXKOZYNZLTM-ZDUSSCGKSA-N -1 0 370.770 2.352 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)N(C)CC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548255158 673943202 /nfs/dbraw/zinc/94/32/02/673943202.db2.gz UGQDQVIMXFBLLB-UHFFFAOYSA-N -1 0 364.807 2.288 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1C ZINC000548261171 673944118 /nfs/dbraw/zinc/94/41/18/673944118.db2.gz HMRPJHUIODMDGC-CYBMUJFWSA-N -1 0 370.408 2.377 20 5 FEBDRM Cc1cccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000548528750 673966047 /nfs/dbraw/zinc/96/60/47/673966047.db2.gz NTZRFTJOEMKUGY-HNNXBMFYSA-N -1 0 364.379 2.316 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](CC2CCCC2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000548552398 673970324 /nfs/dbraw/zinc/97/03/24/673970324.db2.gz RJIKNGXASNWGGZ-ZDUSSCGKSA-N -1 0 356.400 2.215 20 5 FEBDRM C[C@@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000548575759 673975307 /nfs/dbraw/zinc/97/53/07/673975307.db2.gz KRZVWGLQMIWLRH-VHSXEESVSA-N -1 0 362.429 2.168 20 5 FEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548592487 673977489 /nfs/dbraw/zinc/97/74/89/673977489.db2.gz MXGQRYNPEOQKNM-JQWIXIFHSA-N -1 0 358.416 2.461 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCCCCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000548829708 673998980 /nfs/dbraw/zinc/99/89/80/673998980.db2.gz HUMAOHDCOOICBF-CQSZACIVSA-N -1 0 356.400 2.311 20 5 FEBDRM CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000566283522 675200792 /nfs/dbraw/zinc/20/07/92/675200792.db2.gz NPTZNQWKKSGNHF-ZBEGNZNMSA-N -1 0 370.789 2.364 20 5 FEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCN(c3nccs3)CC2)n1 ZINC000566621371 675229837 /nfs/dbraw/zinc/22/98/37/675229837.db2.gz DJJQMTNNYZUAKZ-UHFFFAOYSA-N -1 0 363.399 2.170 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)/C=C(/C)C1CC1 ZINC000821603159 675442838 /nfs/dbraw/zinc/44/28/38/675442838.db2.gz MKRDMMRWPXNLIP-NTMALXAHSA-N -1 0 353.400 2.188 20 5 FEBDRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000604286065 675804308 /nfs/dbraw/zinc/80/43/08/675804308.db2.gz FAKYVWTYUOVROR-CYBMUJFWSA-N -1 0 358.745 2.281 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000619466206 676377919 /nfs/dbraw/zinc/37/79/19/676377919.db2.gz KFPYFZZPVSIENE-UHFFFAOYSA-N -1 0 366.351 2.175 20 5 FEBDRM COC(=O)c1csc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619468108 676378468 /nfs/dbraw/zinc/37/84/68/676378468.db2.gz XXPOQWCTISEOFD-UHFFFAOYSA-N -1 0 372.380 2.252 20 5 FEBDRM CCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000619507210 676382552 /nfs/dbraw/zinc/38/25/52/676382552.db2.gz PNUIHKYRURAOGW-UHFFFAOYSA-N -1 0 353.356 2.198 20 5 FEBDRM CCCCC[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000829929032 677018139 /nfs/dbraw/zinc/01/81/39/677018139.db2.gz PUALWJXPLYPCON-CYBMUJFWSA-N -1 0 358.416 2.090 20 5 FEBDRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCO1 ZINC000838795628 680719925 /nfs/dbraw/zinc/71/99/25/680719925.db2.gz PJJGJUMQJCTXQO-ZDUSSCGKSA-N -1 0 362.791 2.012 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)C=C(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000761425303 680723044 /nfs/dbraw/zinc/72/30/44/680723044.db2.gz AFHDTFGDNHDXSE-UHFFFAOYSA-N -1 0 366.395 2.155 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1=C(C)CCC1 ZINC000838934381 680728054 /nfs/dbraw/zinc/72/80/54/680728054.db2.gz UPZZVLKNUVINBW-UHFFFAOYSA-N -1 0 353.400 2.332 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCC1CC1 ZINC000839060329 680734764 /nfs/dbraw/zinc/73/47/64/680734764.db2.gz ZYBGXABCPOAUHO-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](CC)OCC ZINC000839059591 680734811 /nfs/dbraw/zinc/73/48/11/680734811.db2.gz UXSLCEYVQVOUOZ-CYBMUJFWSA-N -1 0 373.431 2.037 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC1CCSCC1 ZINC000762068402 680739768 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DQGKFVLQUJMSBS-UHFFFAOYSA-N -1 0 350.272 2.024 20 5 FEBDRM CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000750763573 680131961 /nfs/dbraw/zinc/13/19/61/680131961.db2.gz PPNDDNMULLKDED-UHFFFAOYSA-N -1 0 363.395 2.307 20 5 FEBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000751407255 680172305 /nfs/dbraw/zinc/17/23/05/680172305.db2.gz UYJNZTZFVZYLNG-YMTOWFKASA-N -1 0 372.349 2.273 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000835039924 680289746 /nfs/dbraw/zinc/28/97/46/680289746.db2.gz MLQPOMKWNFENGW-UHFFFAOYSA-N -1 0 368.333 2.346 20 5 FEBDRM CC[C@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835156082 680302001 /nfs/dbraw/zinc/30/20/01/680302001.db2.gz PIKJMKVRIJXLBT-ZCFIWIBFSA-N -1 0 360.335 2.440 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)CCSc1ccccc1)[N+](=O)[O-] ZINC000835188226 680305193 /nfs/dbraw/zinc/30/51/93/680305193.db2.gz YCKDHIWDUIWPID-UHFFFAOYSA-N -1 0 360.457 2.060 20 5 FEBDRM 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-1 0 366.367 2.174 20 5 FEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)C2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000861165860 683362266 /nfs/dbraw/zinc/36/22/66/683362266.db2.gz YPQDTXKSSCCRFI-UHFFFAOYSA-N -1 0 366.367 2.174 20 5 FEBDRM NC(=O)c1ccc(COC(=O)c2cc([S-])ccc2F)c([N+](=O)[O-])c1 ZINC000798720279 683384776 /nfs/dbraw/zinc/38/47/76/683384776.db2.gz UTVDVGQOYMOZEM-UHFFFAOYSA-N -1 0 350.327 2.479 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2ccoc2C2CC2)ccc1[N+](=O)[O-] ZINC000798840715 683396682 /nfs/dbraw/zinc/39/66/82/683396682.db2.gz BPGBSMHZKICZAT-UHFFFAOYSA-N -1 0 366.351 2.193 20 5 FEBDRM Cc1ccc(C(=O)NC[C@@H](SCC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-] ZINC000864220665 683818587 /nfs/dbraw/zinc/81/85/87/683818587.db2.gz GKHJQDQZRKNHQC-SNVBAGLBSA-N -1 0 366.317 2.382 20 5 FEBDRM O=C([O-])[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000900399841 690511860 /nfs/dbraw/zinc/51/18/60/690511860.db2.gz IAMBTAVYBUPQQS-DTWKUNHWSA-N -1 0 356.176 2.299 20 5 FEBDRM O=C([O-])[C@H]1CSCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901888863 690707595 /nfs/dbraw/zinc/70/75/95/690707595.db2.gz DSYNXOQFIYVQQJ-SNVBAGLBSA-N -1 0 362.354 2.446 20 5 FEBDRM COCCOCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2Br)[n-]1 ZINC000905020817 691057870 /nfs/dbraw/zinc/05/78/70/691057870.db2.gz YEKAFDFUXFTRMR-UHFFFAOYSA-N -1 0 372.175 2.113 20 5 FEBDRM CC(C)n1ccc(CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)n1 ZINC000864174301 939255028 /nfs/dbraw/zinc/25/50/28/939255028.db2.gz FBZXYVXCBXNYLP-KRWDZBQOSA-N -1 0 360.370 2.031 20 5 FEBDRM CCOC1CC2(C[C@H]2C(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)C1 ZINC000864176641 939255408 /nfs/dbraw/zinc/25/54/08/939255408.db2.gz VLFBIFDHFOIQLZ-VLNFIEOWSA-N -1 0 362.382 2.216 20 5 FEBDRM Cn1nccc1[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000592469741 939801570 /nfs/dbraw/zinc/80/15/70/939801570.db2.gz YSENKXMLYOJZLE-CQSZACIVSA-N -1 0 360.370 2.182 20 5 FEBDRM Cc1noc(C)c1CCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877526 939806105 /nfs/dbraw/zinc/80/61/05/939806105.db2.gz SOAZZVSSEYIEGF-QGZVFWFLSA-N -1 0 361.354 2.248 20 5 FEBDRM C[C@](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccccc1 ZINC000610847831 939808305 /nfs/dbraw/zinc/80/83/05/939808305.db2.gz WLIXNSCGWXQFFK-QGZVFWFLSA-N -1 0 354.322 2.201 20 5 FEBDRM CS(=O)(=O)Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000549527664 674047196 /nfs/dbraw/zinc/04/71/96/674047196.db2.gz KMTBHMSBLPMNGU-UHFFFAOYSA-N -1 0 364.379 2.450 20 5 FEBDRM COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc(OC)c1OC ZINC000009888410 539508539 /nfs/dbraw/zinc/50/85/39/539508539.db2.gz RQGHSERFANCPFG-UHFFFAOYSA-N -1 0 362.338 2.256 20 5 FEBDRM CCc1oncc1[N-]S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000800844241 674082269 /nfs/dbraw/zinc/08/22/69/674082269.db2.gz QDKIMLUDVAPJCE-UHFFFAOYSA-N -1 0 370.343 2.124 20 5 FEBDRM O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800919217 674088257 /nfs/dbraw/zinc/08/82/57/674088257.db2.gz DWSRKIFTLBSZAG-LLVKDONJSA-N -1 0 362.429 2.358 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(C(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)n1 ZINC000536556517 540616537 /nfs/dbraw/zinc/61/65/37/540616537.db2.gz IZTRTLMITWFYNJ-UHFFFAOYSA-N -1 0 362.346 2.162 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000055685502 540670856 /nfs/dbraw/zinc/67/08/56/540670856.db2.gz YLSJIQRTPPICRW-UHFFFAOYSA-N -1 0 366.351 2.175 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000022321875 220383060 /nfs/dbraw/zinc/38/30/60/220383060.db2.gz ITZSKMRCVXBZOX-UHFFFAOYSA-N -1 0 374.378 2.174 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000092864870 542892229 /nfs/dbraw/zinc/89/22/29/542892229.db2.gz IYLXFHIGGBSFCW-UHFFFAOYSA-N -1 0 359.367 2.489 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)c([N+](=O)[O-])c1 ZINC000092864881 542892398 /nfs/dbraw/zinc/89/23/98/542892398.db2.gz KYFMJIDLSPUCMU-UHFFFAOYSA-N -1 0 359.367 2.489 20 5 FEBDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2COC)c1C ZINC000093930846 542946382 /nfs/dbraw/zinc/94/63/82/542946382.db2.gz IOLXVKZOYLBMMH-UHFFFAOYSA-N -1 0 368.415 2.375 20 5 FEBDRM O=C([O-])CCCNc1ccc(I)cc1[N+](=O)[O-] ZINC000097333635 543010269 /nfs/dbraw/zinc/01/02/69/543010269.db2.gz RCMVOTVEZCYGPI-UHFFFAOYSA-N -1 0 350.112 2.476 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)cn1 ZINC000116602418 543611277 /nfs/dbraw/zinc/61/12/77/543611277.db2.gz GJIZTDRDQGBOCJ-UHFFFAOYSA-N -1 0 350.400 2.419 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nncn1Cc1ccccc1 ZINC000118161828 543647856 /nfs/dbraw/zinc/64/78/56/543647856.db2.gz YFRABBIPFFNTOA-UHFFFAOYSA-N -1 0 373.394 2.344 20 5 FEBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](CO)Cc1ccccc1 ZINC000125856800 543905564 /nfs/dbraw/zinc/90/55/64/543905564.db2.gz FYBUCVSHRCJUJO-GFCCVEGCSA-N -1 0 370.814 2.130 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000151076640 544503029 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2.457 20 5 FEBDRM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179453320 327644249 /nfs/dbraw/zinc/64/42/49/327644249.db2.gz MGKTVAZZKDPWGI-OLZOCXBDSA-N -1 0 363.414 2.457 20 5 FEBDRM COCCn1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1 ZINC000181686873 327741767 /nfs/dbraw/zinc/74/17/67/327741767.db2.gz QCHMXQNDWDESIJ-UHFFFAOYSA-N -1 0 374.806 2.200 20 5 FEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000183917146 327842196 /nfs/dbraw/zinc/84/21/96/327842196.db2.gz OESKPNIEXZYMFN-CYBMUJFWSA-N -1 0 355.350 2.288 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccnc1N(C)C ZINC000187731733 328042683 /nfs/dbraw/zinc/04/26/83/328042683.db2.gz GMVFXRUVIGLEDK-UHFFFAOYSA-N -1 0 350.400 2.473 20 5 FEBDRM COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000187971731 328057553 /nfs/dbraw/zinc/05/75/53/328057553.db2.gz VMMKYNBUDVUCED-SNVBAGLBSA-N -1 0 354.388 2.108 20 5 FEBDRM COC[C@H](C)n1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000187953551 328055975 /nfs/dbraw/zinc/05/59/75/328055975.db2.gz ZGDUGSKWIYGARA-NSHDSACASA-N -1 0 354.388 2.108 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000188138693 328068849 /nfs/dbraw/zinc/06/88/49/328068849.db2.gz QFLUNCNBWVYPLS-UHFFFAOYSA-N -1 0 360.342 2.474 20 5 FEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189167873 328132859 /nfs/dbraw/zinc/13/28/59/328132859.db2.gz NLWUIHPIYGSUDF-CABZTGNLSA-N -1 0 361.320 2.475 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1[N+](=O)[O-] ZINC000190080006 328186534 /nfs/dbraw/zinc/18/65/34/328186534.db2.gz FUAMYONELLDXHS-GJZGRUSLSA-N -1 0 362.407 2.148 20 5 FEBDRM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000191045994 328247476 /nfs/dbraw/zinc/24/74/76/328247476.db2.gz AVYWFLRKSSSILH-AWEZNQCLSA-N -1 0 371.187 2.223 20 5 FEBDRM O=C([O-])[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000191479954 328267942 /nfs/dbraw/zinc/26/79/42/328267942.db2.gz VVKGHZLCDPXAGG-QGZVFWFLSA-N -1 0 368.349 2.277 20 5 FEBDRM Cc1ccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])C2=O)cc1 ZINC000192289817 328311189 /nfs/dbraw/zinc/31/11/89/328311189.db2.gz RUSMJXFBTZGOQR-INIZCTEOSA-N -1 0 369.377 2.140 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1C(=O)NC2 ZINC000194986667 328449922 /nfs/dbraw/zinc/44/99/22/328449922.db2.gz BVOSXFNHALJFRY-UHFFFAOYSA-N -1 0 361.379 2.201 20 5 FEBDRM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000055677498 324786193 /nfs/dbraw/zinc/78/61/93/324786193.db2.gz ORHINDDEKQIZRU-UHFFFAOYSA-N -1 0 369.786 2.409 20 5 FEBDRM CN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000237049648 328502773 /nfs/dbraw/zinc/50/27/73/328502773.db2.gz BMZKILPDEYURLD-KRWDZBQOSA-N -1 0 369.377 2.069 20 5 FEBDRM Cc1nn(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237659493 328524129 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COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1CC(=O)[O-] ZINC000538137588 673423890 /nfs/dbraw/zinc/42/38/90/673423890.db2.gz AJWLBBXJAKOHCZ-UHFFFAOYSA-N -1 0 366.351 2.031 20 5 FEBDRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC000538662274 673449988 /nfs/dbraw/zinc/44/99/88/673449988.db2.gz PZYUFCDHYMIYOK-RXMQYKEDSA-N -1 0 366.186 2.059 20 5 FEBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000597156012 673452036 /nfs/dbraw/zinc/45/20/36/673452036.db2.gz DXXZUYKMQFIHNN-VXJOIVPMSA-N -1 0 358.297 2.178 20 5 FEBDRM CC(C)Cc1nc(=NC(=O)CCOc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000598192163 673546734 /nfs/dbraw/zinc/54/67/34/673546734.db2.gz UXCMRIGLJPQIHS-UHFFFAOYSA-N -1 0 350.400 2.474 20 5 FEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cn1C ZINC000598712002 673601903 /nfs/dbraw/zinc/60/19/03/673601903.db2.gz ILBOCCODXKLVRS-UHFFFAOYSA-N -1 0 367.383 2.138 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cn2)c(C)c1[N+](=O)[O-] ZINC000598733351 673604266 /nfs/dbraw/zinc/60/42/66/673604266.db2.gz AZEYMFUFMLYTFZ-UHFFFAOYSA-N -1 0 350.400 2.473 20 5 FEBDRM CC(C)[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599216884 673642464 /nfs/dbraw/zinc/64/24/64/673642464.db2.gz ZXWZTUFTEVDICW-CYBMUJFWSA-N -1 0 352.416 2.046 20 5 FEBDRM O=C([O-])C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000614314463 676169080 /nfs/dbraw/zinc/16/90/80/676169080.db2.gz HQUVAKWEOALINV-NSHDSACASA-N -1 0 370.408 2.292 20 5 FEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1C ZINC000544631988 673722111 /nfs/dbraw/zinc/72/21/11/673722111.db2.gz IDHVTJPLUJDIOT-UHFFFAOYSA-N -1 0 367.383 2.138 20 5 FEBDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000743046863 673747707 /nfs/dbraw/zinc/74/77/07/673747707.db2.gz NZPUYBQSEZGRBW-UHFFFAOYSA-N -1 0 369.359 2.324 20 5 FEBDRM Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000744040410 673780270 /nfs/dbraw/zinc/78/02/70/673780270.db2.gz 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CC(C)=CCSC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547932395 673906521 /nfs/dbraw/zinc/90/65/21/673906521.db2.gz DGFQZKHGHCKGFL-ZDUSSCGKSA-N -1 0 374.440 2.026 20 5 FEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547937986 673907380 /nfs/dbraw/zinc/90/73/80/673907380.db2.gz IUUIVRRZCDRYKI-FZMZJTMJSA-N -1 0 358.416 2.294 20 5 FEBDRM C[C@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000547939908 673907558 /nfs/dbraw/zinc/90/75/58/673907558.db2.gz OMSPKLRWYOGEAR-XHDPSFHLSA-N -1 0 364.379 2.335 20 5 FEBDRM Cc1cccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)[O-])c1 ZINC000548528752 673966096 /nfs/dbraw/zinc/96/60/96/673966096.db2.gz NTZRFTJOEMKUGY-OAHLLOKOSA-N -1 0 364.379 2.316 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(C)(C)C ZINC000548533673 673966860 /nfs/dbraw/zinc/96/68/60/673966860.db2.gz DNBIKYJRUSEQHN-LLVKDONJSA-N -1 0 358.416 2.319 20 5 FEBDRM 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CSCCCCC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762739514 680760331 /nfs/dbraw/zinc/76/03/31/680760331.db2.gz PFSKEWKYTGSGTQ-UHFFFAOYSA-N -1 0 360.457 2.117 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000762997409 680768289 /nfs/dbraw/zinc/76/82/89/680768289.db2.gz PFUXONDILVGRKD-QMTHXVAHSA-N -1 0 368.411 2.022 20 5 FEBDRM CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000765605315 680847940 /nfs/dbraw/zinc/84/79/40/680847940.db2.gz UFNCTPGDHCCYLP-UHFFFAOYSA-N -1 0 363.395 2.286 20 5 FEBDRM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000765611399 680848084 /nfs/dbraw/zinc/84/80/84/680848084.db2.gz QJUVSEQXFOTNFA-SNVBAGLBSA-N -1 0 368.333 2.172 20 5 FEBDRM CN(C)Cc1csc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000840948582 680855910 /nfs/dbraw/zinc/85/59/10/680855910.db2.gz FMRVWYOTVPOUJV-UHFFFAOYSA-N -1 0 360.392 2.053 20 5 FEBDRM Cc1cnc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC000748635477 679982510 /nfs/dbraw/zinc/98/25/10/679982510.db2.gz DPEPAOARAYVYTL-UHFFFAOYSA-N -1 0 362.161 2.455 20 5 FEBDRM COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000749152560 680024137 /nfs/dbraw/zinc/02/41/37/680024137.db2.gz UCTZHTIQOJTICH-UHFFFAOYSA-N -1 0 360.344 2.383 20 5 FEBDRM Cc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000750672944 680126950 /nfs/dbraw/zinc/12/69/50/680126950.db2.gz GNBYWVDCEQNTCE-UHFFFAOYSA-N -1 0 355.759 2.070 20 5 FEBDRM CCC1(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)COC1 ZINC000832488874 680139223 /nfs/dbraw/zinc/13/92/23/680139223.db2.gz UFUCMWGYDYXMSI-UHFFFAOYSA-N -1 0 352.771 2.092 20 5 FEBDRM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832511442 680142197 /nfs/dbraw/zinc/14/21/97/680142197.db2.gz XOUSDWWIVZQJHM-JTQLQIEISA-N -1 0 352.771 2.091 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000751434739 680174484 /nfs/dbraw/zinc/17/44/84/680174484.db2.gz GSPPQXIULSNPDH-SNVBAGLBSA-N -1 0 360.388 2.197 20 5 FEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1C(C)C ZINC000835077181 680293659 /nfs/dbraw/zinc/29/36/59/680293659.db2.gz JULFRYJCLQNABD-UHFFFAOYSA-N -1 0 366.399 2.108 20 5 FEBDRM O=C(CCCC(=O)C1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000835107358 680296001 /nfs/dbraw/zinc/29/60/01/680296001.db2.gz CIRXCLKUMIHFDK-UHFFFAOYSA-N -1 0 374.802 2.203 20 5 FEBDRM C[C@]1(CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1(Cl)Cl ZINC000835154313 680301728 /nfs/dbraw/zinc/30/17/28/680301728.db2.gz BZDQOPPESCRIDA-VIFPVBQESA-N -1 0 373.239 2.435 20 5 FEBDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])c1 ZINC000753953067 680326289 /nfs/dbraw/zinc/32/62/89/680326289.db2.gz GBZXCDLBDYLHMT-UHFFFAOYSA-N -1 0 355.759 2.069 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000835559714 680349239 /nfs/dbraw/zinc/34/92/39/680349239.db2.gz HYAMFARSGIXXFY-QKFMDRJYSA-N -1 0 368.411 2.242 20 5 FEBDRM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000835744720 680376565 /nfs/dbraw/zinc/37/65/65/680376565.db2.gz VTDVEXSGVXCTDG-VNHYZAJKSA-N -1 0 352.412 2.162 20 5 FEBDRM O=C([N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000835748243 680377903 /nfs/dbraw/zinc/37/79/03/680377903.db2.gz YRIJXNYDNGQARD-ISTVAULSSA-N -1 0 363.395 2.324 20 5 FEBDRM COc1ccc(CC(=O)[N-]S(=O)(=O)CCC2CCCC2)cc1[N+](=O)[O-] ZINC000835948375 680403194 /nfs/dbraw/zinc/40/31/94/680403194.db2.gz KOLUOFOUSACDEZ-UHFFFAOYSA-N -1 0 370.427 2.172 20 5 FEBDRM CC(=O)C(C)(C)CCC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000755851565 680440114 /nfs/dbraw/zinc/44/01/14/680440114.db2.gz IZTZNAFJNBJNHB-UHFFFAOYSA-N -1 0 356.400 2.104 20 5 FEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cnc(C)s2)c1 ZINC000755872813 680441687 /nfs/dbraw/zinc/44/16/87/680441687.db2.gz HSPXLTRUDIQDAS-UHFFFAOYSA-N -1 0 373.437 2.200 20 5 FEBDRM CC[C@@](C)(CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837290010 680581718 /nfs/dbraw/zinc/58/17/18/680581718.db2.gz KKEAOPCFXGWNQZ-LBPRGKRZSA-N -1 0 368.770 2.167 20 5 FEBDRM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837294764 680583123 /nfs/dbraw/zinc/58/31/23/680583123.db2.gz XUKYZTCCUKZCSA-GFCCVEGCSA-N -1 0 366.754 2.015 20 5 FEBDRM CCCC(=O)N1CSC[C@@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837506871 680612942 /nfs/dbraw/zinc/61/29/42/680612942.db2.gz HYPUGHFHWBGTMW-CYBMUJFWSA-N -1 0 354.384 2.045 20 5 FEBDRM CC(C)[C@@H](NC1CCOCC1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837556142 680618813 /nfs/dbraw/zinc/61/88/13/680618813.db2.gz PFCWJTMFHOQNLQ-MRXNPFEDSA-N -1 0 352.387 2.137 20 5 FEBDRM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3cc([N+](=O)[O-])cs3)cc2n1 ZINC000759334055 680643184 /nfs/dbraw/zinc/64/31/84/680643184.db2.gz SFKASPHJAVJRTM-UHFFFAOYSA-N -1 0 367.364 2.225 20 5 FEBDRM CC[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000766838854 680889915 /nfs/dbraw/zinc/88/99/15/680889915.db2.gz TYDUCLRFAIBGCY-GXTWGEPZSA-N -1 0 370.427 2.385 20 5 FEBDRM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)O1 ZINC000841536215 680893877 /nfs/dbraw/zinc/89/38/77/680893877.db2.gz ZIBNXPHOENBEDN-CBAPKCEASA-N -1 0 352.771 2.233 20 5 FEBDRM CO[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC000841548090 680895642 /nfs/dbraw/zinc/89/56/42/680895642.db2.gz FNUNDHBFTGDWGI-OLZOCXBDSA-N -1 0 360.819 2.484 20 5 FEBDRM COCC1(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000842403160 680944114 /nfs/dbraw/zinc/94/41/14/680944114.db2.gz HUBVBDCKHAMYJP-UHFFFAOYSA-N -1 0 370.427 2.056 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2CCCCS2)cccc1[N+](=O)[O-] ZINC000842403628 680944308 /nfs/dbraw/zinc/94/43/08/680944308.db2.gz HEBGPXBPXUNYCZ-ZDUSSCGKSA-N -1 0 358.441 2.135 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H](C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000842403773 680944446 /nfs/dbraw/zinc/94/44/46/680944446.db2.gz OPKADHXDPHRRBG-QMMMGPOBSA-N -1 0 368.333 2.438 20 5 FEBDRM COC(=O)c1sc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc1C ZINC000768851303 680961613 /nfs/dbraw/zinc/96/16/13/680961613.db2.gz WYRLQQNOZQHPRA-UHFFFAOYSA-N -1 0 363.398 2.009 20 5 FEBDRM CN1CCOc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000768862505 680962071 /nfs/dbraw/zinc/96/20/71/680962071.db2.gz LKXSWZIEGOXXQU-UHFFFAOYSA-N -1 0 355.397 2.286 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C/C2CCCC2)ccc1[N+](=O)[O-] ZINC000842735388 680962961 /nfs/dbraw/zinc/96/29/61/680962961.db2.gz RWKSXNKWTVNWPU-RMKNXTFCSA-N -1 0 354.384 2.155 20 5 FEBDRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000842737142 680963058 /nfs/dbraw/zinc/96/30/58/680963058.db2.gz STJZTTCBYSLLHD-YFHOEESVSA-N -1 0 352.412 2.330 20 5 FEBDRM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000769077808 680970250 /nfs/dbraw/zinc/97/02/50/680970250.db2.gz PBRYFYWNMUXVLN-SNVBAGLBSA-N -1 0 351.359 2.040 20 5 FEBDRM C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769289942 680976855 /nfs/dbraw/zinc/97/68/55/680976855.db2.gz DVXZYFWXTMLPDA-NXEZZACHSA-N -1 0 371.371 2.134 20 5 FEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)C[C@H]2CCCO2)ccc1Br ZINC000769636339 680989682 /nfs/dbraw/zinc/98/96/82/680989682.db2.gz SYBZLDFEHMPNRF-SECBINFHSA-N -1 0 365.205 2.278 20 5 FEBDRM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1F ZINC000769888087 680998658 /nfs/dbraw/zinc/99/86/58/680998658.db2.gz AUKPKROQDZJGSB-UHFFFAOYSA-N -1 0 371.302 2.452 20 5 FEBDRM CN(C)C(=O)OC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843897408 681024373 /nfs/dbraw/zinc/02/43/73/681024373.db2.gz WZOSSUVIOZAPMG-UHFFFAOYSA-N -1 0 371.777 2.257 20 5 FEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2COC3(CCCCC3)O2)n1 ZINC000844210852 681044950 /nfs/dbraw/zinc/04/49/50/681044950.db2.gz LRFQCAFCWWUFHF-LLVKDONJSA-N -1 0 351.359 2.484 20 5 FEBDRM Cc1cc(N2CCN(C3=NC[C@H](C)S3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844208853 681044968 /nfs/dbraw/zinc/04/49/68/681044968.db2.gz HMQIRLOVDHUDAY-NSHDSACASA-N -1 0 364.427 2.215 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)Cc2ccoc2)cc1[N+](=O)[O-] ZINC000773945746 681161655 /nfs/dbraw/zinc/16/16/55/681161655.db2.gz GIOQNBBMPQLMOL-UHFFFAOYSA-N -1 0 358.759 2.197 20 5 FEBDRM COC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000773987254 681163596 /nfs/dbraw/zinc/16/35/96/681163596.db2.gz JCSZSPSOCYVTEP-UHFFFAOYSA-N -1 0 356.400 2.057 20 5 FEBDRM CC(=O)CCCCCCC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000773986501 681163634 /nfs/dbraw/zinc/16/36/34/681163634.db2.gz ANOGREZVBAAUOH-UHFFFAOYSA-N -1 0 374.390 2.468 20 5 FEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000846713594 681278114 /nfs/dbraw/zinc/27/81/14/681278114.db2.gz HLPJRLJDZFVYPX-MRVPVSSYSA-N -1 0 363.139 2.432 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000776493229 681396511 /nfs/dbraw/zinc/39/65/11/681396511.db2.gz HYGCSQQUMUGODW-NSHDSACASA-N -1 0 364.807 2.334 20 5 FEBDRM Cc1nn(C(C)C)cc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000847692451 681417317 /nfs/dbraw/zinc/41/73/17/681417317.db2.gz PJVNFWXLNMBQRW-UHFFFAOYSA-N -1 0 366.399 2.108 20 5 FEBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776654703 681422872 /nfs/dbraw/zinc/42/28/72/681422872.db2.gz RLZXJUCBBMNAKR-IEBDPFPHSA-N -1 0 360.413 2.063 20 5 FEBDRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776675820 681424902 /nfs/dbraw/zinc/42/49/02/681424902.db2.gz CAYUKSFKEHVSBI-QMMMGPOBSA-N -1 0 350.780 2.120 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](F)CC1CCCCC1 ZINC000847895265 681448240 /nfs/dbraw/zinc/44/82/40/681448240.db2.gz ZHOQLAGKJSFGSU-LBPRGKRZSA-N -1 0 359.379 2.103 20 5 FEBDRM O=C([O-])CCCCCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000777384559 681489467 /nfs/dbraw/zinc/48/94/67/681489467.db2.gz ZVRLELAWKNDBMW-UHFFFAOYSA-N -1 0 352.343 2.479 20 5 FEBDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1[N+](=O)[O-] ZINC000777665351 681519813 /nfs/dbraw/zinc/51/98/13/681519813.db2.gz GFLBNUQQZMMYGR-UHFFFAOYSA-N -1 0 372.384 2.339 20 5 FEBDRM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777770741 681529354 /nfs/dbraw/zinc/52/93/54/681529354.db2.gz DYJVNRRQRKGXST-UHFFFAOYSA-N -1 0 355.694 2.087 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000779083997 681677462 /nfs/dbraw/zinc/67/74/62/681677462.db2.gz CRJHPCKHFLOVOU-UHFFFAOYSA-N -1 0 368.327 2.016 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2C(C)=O)c([N+](=O)[O-])n1 ZINC000780417819 681825854 /nfs/dbraw/zinc/82/58/54/681825854.db2.gz LMSIUYBOCUMFGR-UHFFFAOYSA-N -1 0 352.372 2.123 20 5 FEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000780417655 681826163 /nfs/dbraw/zinc/82/61/63/681826163.db2.gz UPRYLMVJLVIMHN-UHFFFAOYSA-N -1 0 368.342 2.312 20 5 FEBDRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781750864 681969653 /nfs/dbraw/zinc/96/96/53/681969653.db2.gz LNIUMNGZWNIVJL-UHFFFAOYSA-N -1 0 352.315 2.056 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850877458 681972476 /nfs/dbraw/zinc/97/24/76/681972476.db2.gz BZSXYZKTWPDQHF-IMRBUKKESA-N -1 0 353.400 2.011 20 5 FEBDRM CCOCCC1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000781839655 681978752 /nfs/dbraw/zinc/97/87/52/681978752.db2.gz YPCVCMKLRUCPKP-UHFFFAOYSA-N -1 0 374.390 2.136 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000782260007 682021792 /nfs/dbraw/zinc/02/17/92/682021792.db2.gz RTHATSXGLPXSAM-UHFFFAOYSA-N -1 0 353.312 2.312 20 5 FEBDRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000851327820 682052345 /nfs/dbraw/zinc/05/23/45/682052345.db2.gz NXHSJPLMKKNXRY-CMPLNLGQSA-N -1 0 353.400 2.033 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)CC[C@@H]1CCc2ccccc21)[N+](=O)[O-] ZINC000851549453 682084951 /nfs/dbraw/zinc/08/49/51/682084951.db2.gz 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O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164246201 327067262 /nfs/dbraw/zinc/06/72/62/327067262.db2.gz HMPZEFAXOVDVLI-UHFFFAOYSA-N -1 0 352.350 2.475 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000261719834 328814351 /nfs/dbraw/zinc/81/43/51/328814351.db2.gz QMNSVXVVTVNMQX-ZLDLUXBVSA-N -1 0 368.411 2.310 20 5 FEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261770521 328818398 /nfs/dbraw/zinc/81/83/98/328818398.db2.gz WTDBGHKNUDMSFO-QEJZJMRPSA-N -1 0 368.411 2.142 20 5 FEBDRM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261861853 328825111 /nfs/dbraw/zinc/82/51/11/328825111.db2.gz FZEYYYGUMYIIGE-UHFFFAOYSA-N -1 0 350.780 2.170 20 5 FEBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261948261 328831091 /nfs/dbraw/zinc/83/10/91/328831091.db2.gz VWUQUGSSECCAHV-HONMWMINSA-N -1 0 354.384 2.001 20 5 FEBDRM CC(C)(C)c1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000262136308 328844933 /nfs/dbraw/zinc/84/49/33/328844933.db2.gz RGSGPUGSPNMKDC-LBPRGKRZSA-N -1 0 350.371 2.208 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262404129 328863684 /nfs/dbraw/zinc/86/36/84/328863684.db2.gz KMGFCHUKSPHBQZ-UHFFFAOYSA-N -1 0 356.400 2.133 20 5 FEBDRM CCO[C@H]1C[C@@](NC(=O)c2cccc([N+](=O)[O-])c2C)(C(=O)[O-])C1(C)C ZINC000262772250 328888285 /nfs/dbraw/zinc/88/82/85/328888285.db2.gz HIRCUNOIOOROLI-SUMWQHHRSA-N -1 0 350.371 2.291 20 5 FEBDRM C[C@@]1(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCCC[C@H]1C(=O)[O-] ZINC000262818186 328892273 /nfs/dbraw/zinc/89/22/73/328892273.db2.gz PHEVZABRJQXQMT-BJOHPYRUSA-N -1 0 364.383 2.363 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC000262971585 328904537 /nfs/dbraw/zinc/90/45/37/328904537.db2.gz ITMBUHZXQGVGSS-TZMCWYRMSA-N -1 0 372.381 2.022 20 5 FEBDRM 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559953937 /nfs/dbraw/zinc/95/39/37/559953937.db2.gz ZPODAYFWISFBJX-JTQLQIEISA-N -1 0 368.353 2.280 20 5 FEBDRM COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000436903941 559956076 /nfs/dbraw/zinc/95/60/76/559956076.db2.gz XSSLSXLBDHUMPT-AWEZNQCLSA-N -1 0 362.313 2.126 20 5 FEBDRM O=C(NCCCc1ccc2c(c1)OCCO2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436976205 559958031 /nfs/dbraw/zinc/95/80/31/559958031.db2.gz OLSXYMMHPYCZHJ-UHFFFAOYSA-N -1 0 358.350 2.434 20 5 FEBDRM Cc1cc(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000439934674 560002165 /nfs/dbraw/zinc/00/21/65/560002165.db2.gz KWTPTSFTSPYEPU-UHFFFAOYSA-N -1 0 358.350 2.339 20 5 FEBDRM O=C1CCC(c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)=NN1 ZINC000442325904 560049172 /nfs/dbraw/zinc/04/91/72/560049172.db2.gz QBCHFPDPCAPWPK-UHFFFAOYSA-N -1 0 374.378 2.010 20 5 FEBDRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000442584261 560053059 /nfs/dbraw/zinc/05/30/59/560053059.db2.gz 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362.260 2.086 20 5 FEBDRM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000729664390 673243146 /nfs/dbraw/zinc/24/31/46/673243146.db2.gz IPXFPLMVHCYICG-UHFFFAOYSA-N -1 0 372.305 2.460 20 5 FEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cnc(C2CC2)s1 ZINC000729886001 673251548 /nfs/dbraw/zinc/25/15/48/673251548.db2.gz WCHUHLANPFADDN-UHFFFAOYSA-N -1 0 367.408 2.189 20 5 FEBDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000731546043 673333652 /nfs/dbraw/zinc/33/36/52/673333652.db2.gz IVONATURWZKNAS-UHFFFAOYSA-N -1 0 368.342 2.251 20 5 FEBDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000731545614 673333665 /nfs/dbraw/zinc/33/36/65/673333665.db2.gz BAAGYYXOYPFFAA-UHFFFAOYSA-N -1 0 366.326 2.055 20 5 FEBDRM CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C(=O)[O-] ZINC000595965754 673344619 /nfs/dbraw/zinc/34/46/19/673344619.db2.gz JPMUZFOLPKQKJT-HZMBPMFUSA-N -1 0 355.366 2.482 20 5 FEBDRM 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ZINC000538683434 673451853 /nfs/dbraw/zinc/45/18/53/673451853.db2.gz MPLGTYRDWGLHEE-NSHDSACASA-N -1 0 370.793 2.475 20 5 FEBDRM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000540424803 673538853 /nfs/dbraw/zinc/53/88/53/673538853.db2.gz YNPKOVYFOBQUHF-SECBINFHSA-N -1 0 358.383 2.342 20 5 FEBDRM Cn1ncc(C2CC2)c1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000598211757 673548642 /nfs/dbraw/zinc/54/86/42/673548642.db2.gz WKWVIQNQHWJFQB-UHFFFAOYSA-N -1 0 350.762 2.495 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000737191311 673553923 /nfs/dbraw/zinc/55/39/23/673553923.db2.gz HQJOMFGQKIUNKJ-ZDUSSCGKSA-N -1 0 354.359 2.231 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000598583591 673586264 /nfs/dbraw/zinc/58/62/64/673586264.db2.gz BNAXTIHEANXDAP-OAHLLOKOSA-N -1 0 356.400 2.087 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000598585306 673586878 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366.399 2.451 20 5 FEBDRM C[C@](NS(=O)(=O)CCC1CCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600666239 673789203 /nfs/dbraw/zinc/78/92/03/673789203.db2.gz NYSPEQRWFWBIHR-MRXNPFEDSA-N -1 0 370.427 2.394 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000600666334 673789279 /nfs/dbraw/zinc/78/92/79/673789279.db2.gz QAULATZGZQEINN-RDBSUJKOSA-N -1 0 368.411 2.167 20 5 FEBDRM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000600868363 673804325 /nfs/dbraw/zinc/80/43/25/673804325.db2.gz CIVJWQIMEXHFHH-OAHLLOKOSA-N -1 0 350.352 2.125 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000746446843 673878817 /nfs/dbraw/zinc/87/88/17/673878817.db2.gz XUHUCFRFLYEINB-UHFFFAOYSA-N -1 0 355.416 2.276 20 5 FEBDRM CCC1(C(=O)[O-])CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000547909265 673902813 /nfs/dbraw/zinc/90/28/13/673902813.db2.gz KDLSSNBAQICSIW-UHFFFAOYSA-N -1 0 362.429 2.230 20 5 FEBDRM O=C([O-])[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000547915810 673904103 /nfs/dbraw/zinc/90/41/03/673904103.db2.gz CEONHEIQYRQBOK-XPTSAGLGSA-N -1 0 374.802 2.124 20 5 FEBDRM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000547920637 673904836 /nfs/dbraw/zinc/90/48/36/673904836.db2.gz YJHRUBXZWFUTMK-OTYXRUKQSA-N -1 0 358.416 2.331 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000547922373 673905097 /nfs/dbraw/zinc/90/50/97/673905097.db2.gz ZUERKJIKDWBKEX-CQSZACIVSA-N -1 0 368.342 2.147 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547937985 673907314 /nfs/dbraw/zinc/90/73/14/673907314.db2.gz IUUIVRRZCDRYKI-BXUZGUMPSA-N -1 0 358.416 2.294 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CCCCC(=O)[O-] ZINC000547939674 673907706 /nfs/dbraw/zinc/90/77/06/673907706.db2.gz QVMINOUUDRNMAE-LLVKDONJSA-N -1 0 358.416 2.469 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000548223160 673937341 /nfs/dbraw/zinc/93/73/41/673937341.db2.gz DATZPXZIFLMRQI-BDJLRTHQSA-N -1 0 370.427 2.463 20 5 FEBDRM Cc1cccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC000548530764 673966391 /nfs/dbraw/zinc/96/63/91/673966391.db2.gz SESJIYHMGTWMLJ-HNNXBMFYSA-N -1 0 364.379 2.316 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1C ZINC000548574061 673975018 /nfs/dbraw/zinc/97/50/18/673975018.db2.gz KZMWUGHOPSUVOE-LRDDRELGSA-N -1 0 368.411 2.087 20 5 FEBDRM O=C(NCCc1cn2c(n1)SCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566277576 675200388 /nfs/dbraw/zinc/20/03/88/675200388.db2.gz MBNXPHYDKWRBDQ-UHFFFAOYSA-N -1 0 368.802 2.229 20 5 FEBDRM CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000566283520 675200722 /nfs/dbraw/zinc/20/07/22/675200722.db2.gz NPTZNQWKKSGNHF-BZNIZROVSA-N -1 0 370.789 2.364 20 5 FEBDRM C[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000818330464 675214980 /nfs/dbraw/zinc/21/49/80/675214980.db2.gz QIJRGSRJADYRJS-YMTOWFKASA-N -1 0 355.778 2.372 20 5 FEBDRM COc1cccc([C@@H](C)NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000604042798 675803234 /nfs/dbraw/zinc/80/32/34/675803234.db2.gz TXPNSKFRTKPBFN-SNVBAGLBSA-N -1 0 352.368 2.349 20 5 FEBDRM CS[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000829535157 675882153 /nfs/dbraw/zinc/88/21/53/675882153.db2.gz YUZORCUGNAXVFX-NXEZZACHSA-N -1 0 374.440 2.164 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC(C)(C)CCC(=O)[O-] ZINC000619470519 676378578 /nfs/dbraw/zinc/37/85/78/676378578.db2.gz AOYVWDJRCOTXPQ-UHFFFAOYSA-N -1 0 374.415 2.163 20 5 FEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-] ZINC000619470609 676378652 /nfs/dbraw/zinc/37/86/52/676378652.db2.gz VRAMHDIMDHWXPV-QWRGUYRKSA-N -1 0 374.415 2.161 20 5 FEBDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000619543755 676384069 /nfs/dbraw/zinc/38/40/69/676384069.db2.gz WYNAEBLCNQOZRD-BXUZGUMPSA-N -1 0 353.375 2.095 20 5 FEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000761427508 680723066 /nfs/dbraw/zinc/72/30/66/680723066.db2.gz KCUQPAJLXOICDD-UHFFFAOYSA-N -1 0 364.379 2.285 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000761425450 680723068 /nfs/dbraw/zinc/72/30/68/680723068.db2.gz BFHJSUGWKPOLES-NSHDSACASA-N -1 0 358.416 2.481 20 5 FEBDRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000762053526 680739212 /nfs/dbraw/zinc/73/92/12/680739212.db2.gz VFJJNSBWCNLHLG-SECBINFHSA-N -1 0 373.387 2.380 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1F ZINC000762039455 680738759 /nfs/dbraw/zinc/73/87/59/680738759.db2.gz LHIPIMVEZRZTIN-UHFFFAOYSA-N -1 0 368.342 2.170 20 5 FEBDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762737797 680760279 /nfs/dbraw/zinc/76/02/79/680760279.db2.gz FGRFGXRIRJABKF-CYBMUJFWSA-N -1 0 372.443 2.035 20 5 FEBDRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000749074997 680018265 /nfs/dbraw/zinc/01/82/65/680018265.db2.gz USTIMMXFEHFYAZ-SECBINFHSA-N -1 0 359.360 2.134 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2N(C)C)c([N+](=O)[O-])c1 ZINC000749754841 680072524 /nfs/dbraw/zinc/07/25/24/680072524.db2.gz WPCLVTDQBLUKNF-UHFFFAOYSA-N -1 0 366.399 2.174 20 5 FEBDRM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832511443 680142032 /nfs/dbraw/zinc/14/20/32/680142032.db2.gz XOUSDWWIVZQJHM-SNVBAGLBSA-N -1 0 352.771 2.091 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)COCC2CCCC2)cc([N+](=O)[O-])c1C ZINC000835030984 680287424 /nfs/dbraw/zinc/28/74/24/680287424.db2.gz BJFUPFHRFRAYRJ-UHFFFAOYSA-N -1 0 370.427 2.223 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000835224167 680307915 /nfs/dbraw/zinc/30/79/15/680307915.db2.gz LEFRSOICTSXZKY-ZYHUDNBSSA-N -1 0 356.400 2.091 20 5 FEBDRM CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000835226344 680308411 /nfs/dbraw/zinc/30/84/11/680308411.db2.gz BXXWYQALEHCEMW-UKRRQHHQSA-N -1 0 354.428 2.266 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000835560005 680349635 /nfs/dbraw/zinc/34/96/35/680349635.db2.gz RAZHXTCAEUPKBQ-QKFMDRJYSA-N -1 0 367.427 2.275 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000835563061 680350560 /nfs/dbraw/zinc/35/05/60/680350560.db2.gz IFRNXBHQJWLXRT-QKFMDRJYSA-N -1 0 368.411 2.242 20 5 FEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(C)o1 ZINC000754739385 680374404 /nfs/dbraw/zinc/37/44/04/680374404.db2.gz BSLUWVCOELPYQF-UHFFFAOYSA-N -1 0 358.303 2.223 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1cccc([N+](=O)[O-])c1 ZINC000835741800 680375784 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CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000592449640 672804778 /nfs/dbraw/zinc/80/47/78/672804778.db2.gz VSEFSXTZHKTPDA-VXGBXAGGSA-N -1 0 356.400 2.228 20 5 FEBDRM COCCCn1cc(C)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000592803829 672840456 /nfs/dbraw/zinc/84/04/56/672840456.db2.gz JEKLDFKSIYAQQW-UHFFFAOYSA-N -1 0 368.777 2.748 20 5 FEBDRM CCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000593271919 672900684 /nfs/dbraw/zinc/90/06/84/672900684.db2.gz XGCUOZKFUUMMCT-HZMBPMFUSA-N -1 0 358.416 2.181 20 5 FEBDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000262444444 672915953 /nfs/dbraw/zinc/91/59/53/672915953.db2.gz VDXJATHXGWWSIN-CYBMUJFWSA-N -1 0 352.387 2.493 20 5 FEBDRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000262968994 672924906 /nfs/dbraw/zinc/92/49/06/672924906.db2.gz IPHIJYJLYCSBPD-VHSXEESVSA-N -1 0 354.384 2.021 20 5 FEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263203547 672930093 /nfs/dbraw/zinc/93/00/93/672930093.db2.gz XSRBUPZZEDPXHB-RKDXNWHRSA-N -1 0 362.791 2.122 20 5 FEBDRM CC(C)C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263565713 672936544 /nfs/dbraw/zinc/93/65/44/672936544.db2.gz VVWFGINVXCLGFM-SECBINFHSA-N -1 0 368.770 2.165 20 5 FEBDRM C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461565 673076170 /nfs/dbraw/zinc/07/61/70/673076170.db2.gz HKQGOLSDZOAEGF-DDTOSNHZSA-N -1 0 350.371 2.225 20 5 FEBDRM CC(C)[C@H](CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000594540814 673096496 /nfs/dbraw/zinc/09/64/96/673096496.db2.gz HVALQLUAYNNSDM-AWEZNQCLSA-N -1 0 351.403 2.196 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C[C@H](C)C(=O)[O-])C1 ZINC000594573140 673099544 /nfs/dbraw/zinc/09/95/44/673099544.db2.gz JQVNLNZQUDBWCF-STQMWFEESA-N -1 0 370.427 2.415 20 5 FEBDRM 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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000014869970 539606991 /nfs/dbraw/zinc/60/69/91/539606991.db2.gz OHSULUUTYPPQFD-UHFFFAOYSA-N -1 0 370.408 2.108 20 5 FEBDRM COCCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000055640455 540667317 /nfs/dbraw/zinc/66/73/17/540667317.db2.gz RMKZZZNTXINPKQ-UHFFFAOYSA-N -1 0 352.368 2.421 20 5 FEBDRM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066410301 541314092 /nfs/dbraw/zinc/31/40/92/541314092.db2.gz DBVYCVHOKRKQBP-UHFFFAOYSA-N -1 0 365.396 2.253 20 5 FEBDRM COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000068037979 541540866 /nfs/dbraw/zinc/54/08/66/541540866.db2.gz GPOXZWKWOOJKQB-UHFFFAOYSA-N -1 0 366.351 2.196 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014256237 220121108 /nfs/dbraw/zinc/12/11/08/220121108.db2.gz YHURSVGJEJPGHK-UHFFFAOYSA-N -1 0 353.312 2.312 20 5 FEBDRM O=C(OCc1ccno1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000801384972 674125110 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561244105 /nfs/dbraw/zinc/24/41/05/561244105.db2.gz KCQQOURZFVEVSI-ZDUSSCGKSA-N -1 0 352.372 2.279 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000481946698 561246059 /nfs/dbraw/zinc/24/60/59/561246059.db2.gz VVFIQKSGQCPEGF-UHFFFAOYSA-N -1 0 352.324 2.133 20 5 FEBDRM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180783352 547178835 /nfs/dbraw/zinc/17/88/35/547178835.db2.gz BDRKTEFHLRRHGD-SSDOTTSWSA-N -1 0 353.718 2.304 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000181860159 547393460 /nfs/dbraw/zinc/39/34/60/547393460.db2.gz DDYFOSSCXUPASH-GFCCVEGCSA-N -1 0 367.365 2.363 20 5 FEBDRM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181944010 547409459 /nfs/dbraw/zinc/40/94/59/547409459.db2.gz GTGFEADXFOBTMZ-STQMWFEESA-N -1 0 363.414 2.457 20 5 FEBDRM Cc1sc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000484788399 561306078 /nfs/dbraw/zinc/30/60/78/561306078.db2.gz 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COC[C@H](C)n1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000489033802 561402007 /nfs/dbraw/zinc/40/20/07/561402007.db2.gz BONRFKJQQCMGHV-VIFPVBQESA-N -1 0 374.806 2.453 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261728792 549748884 /nfs/dbraw/zinc/74/88/84/549748884.db2.gz RKNWPCHLHMZYSU-BNOWGMLFSA-N -1 0 368.411 2.310 20 5 FEBDRM CC[C@@](NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)(C(=O)[O-])c1ccccc1 ZINC000262388595 549816074 /nfs/dbraw/zinc/81/60/74/549816074.db2.gz FGUGFWKLZNOMCI-SFHVURJKSA-N -1 0 374.397 2.305 20 5 FEBDRM O=C([O-])CSCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000262414305 549818264 /nfs/dbraw/zinc/81/82/64/549818264.db2.gz OVYYHVAPIQLGFR-UHFFFAOYSA-N -1 0 352.290 2.161 20 5 FEBDRM COc1ccc(CSCC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000262493652 549824128 /nfs/dbraw/zinc/82/41/28/549824128.db2.gz XAPLXBINFHDPPC-SNVBAGLBSA-N -1 0 368.411 2.301 20 5 FEBDRM COc1ccc(CSCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000262788910 549849799 /nfs/dbraw/zinc/84/97/99/549849799.db2.gz BQDLKUDEDVHDHD-NWDGAFQWSA-N -1 0 368.411 2.206 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000263204547 549885520 /nfs/dbraw/zinc/88/55/20/549885520.db2.gz KMDUCLHPAZVJIV-QGZVFWFLSA-N -1 0 359.338 2.176 20 5 FEBDRM CC(C)c1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cc1[N+](=O)[O-] ZINC000263528582 549906752 /nfs/dbraw/zinc/90/67/52/549906752.db2.gz LHUZMDVBKUGUPK-UHFFFAOYSA-N -1 0 350.371 2.329 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000272399804 550444337 /nfs/dbraw/zinc/44/43/37/550444337.db2.gz MQXKFMQWVOKZSR-YJBOKZPZSA-N -1 0 372.377 2.265 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)c(C)c1 ZINC000494404429 561468943 /nfs/dbraw/zinc/46/89/43/561468943.db2.gz PMDZQBADWZEKLL-UHFFFAOYSA-N -1 0 365.367 2.194 20 5 FEBDRM C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000274952267 550567080 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CCn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1 ZINC000285716658 551800257 /nfs/dbraw/zinc/80/02/57/551800257.db2.gz UEJUSOLRLRSVGK-UHFFFAOYSA-N -1 0 362.770 2.082 20 5 FEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)N1CCOc2ccc(F)cc21 ZINC000499280584 561547596 /nfs/dbraw/zinc/54/75/96/561547596.db2.gz LORZXUCYFPPYOB-UHFFFAOYSA-N -1 0 368.342 2.336 20 5 FEBDRM Cc1c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000500244359 561568615 /nfs/dbraw/zinc/56/86/15/561568615.db2.gz FUKPNGPRGDDBFU-UHFFFAOYSA-N -1 0 368.349 2.351 20 5 FEBDRM CCOc1ccc([N-]S(=O)(=O)c2cncc(OC)c2)c([N+](=O)[O-])c1 ZINC000500484650 561574786 /nfs/dbraw/zinc/57/47/86/561574786.db2.gz HCRLUIFQSVPIKQ-UHFFFAOYSA-N -1 0 353.356 2.198 20 5 FEBDRM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000500714250 561580001 /nfs/dbraw/zinc/58/00/01/561580001.db2.gz SGLAXRWMASOXLN-CYBMUJFWSA-N -1 0 355.394 2.477 20 5 FEBDRM CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000500757703 561581402 /nfs/dbraw/zinc/58/14/02/561581402.db2.gz JBNYZAHVGFISTD-UHFFFAOYSA-N -1 0 371.396 2.337 20 5 FEBDRM O=C([O-])c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000500614033 561578040 /nfs/dbraw/zinc/57/80/40/561578040.db2.gz FNCMMFPUBAFKPG-UHFFFAOYSA-N -1 0 353.294 2.126 20 5 FEBDRM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298636912 553452553 /nfs/dbraw/zinc/45/25/53/553452553.db2.gz BCAXDUQLDIQQKD-UHFFFAOYSA-N -1 0 372.337 2.241 20 5 FEBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccn(CC(F)F)n2)s1 ZINC000302063398 553701451 /nfs/dbraw/zinc/70/14/51/553701451.db2.gz DGPVNIIJHATHHS-UHFFFAOYSA-N -1 0 352.344 2.265 20 5 FEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000316006303 553761066 /nfs/dbraw/zinc/76/10/66/553761066.db2.gz WFDJAHFSMGBWGB-QMMMGPOBSA-N -1 0 350.780 2.122 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000320269591 553764773 /nfs/dbraw/zinc/76/47/73/553764773.db2.gz 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ZINC000327271433 553787747 /nfs/dbraw/zinc/78/77/47/553787747.db2.gz ZEVCETFAFOQZAI-NSHDSACASA-N -1 0 362.363 2.362 20 5 FEBDRM Cc1cc(C(=O)N2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000330580036 554140878 /nfs/dbraw/zinc/14/08/78/554140878.db2.gz PUUIDGZMBBRNOP-UHFFFAOYSA-N -1 0 373.365 2.108 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCOC1 ZINC000508098047 561751471 /nfs/dbraw/zinc/75/14/71/561751471.db2.gz SBFFNTJDLBSYCM-JTQLQIEISA-N -1 0 374.724 2.248 20 5 FEBDRM O=C(NCCc1ccn(-c2ccccc2)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000509087311 561784170 /nfs/dbraw/zinc/78/41/70/561784170.db2.gz YHOJXXSFUNOENH-UHFFFAOYSA-N -1 0 352.350 2.459 20 5 FEBDRM Cc1nn(Cc2ccc(C(=O)N=c3cccn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000609861078 554430893 /nfs/dbraw/zinc/43/08/93/554430893.db2.gz MRXUVBJFVAEPMR-UHFFFAOYSA-N -1 0 352.354 2.499 20 5 FEBDRM CNC(=O)CCOc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000510331805 561831700 /nfs/dbraw/zinc/83/17/00/561831700.db2.gz MPTCUDBRRATOIZ-UHFFFAOYSA-N -1 0 359.338 2.068 20 5 FEBDRM CCOc1ccc(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)cc1[N+](=O)[O-] ZINC000511063523 561855572 /nfs/dbraw/zinc/85/55/72/561855572.db2.gz LDGZQIHIXPFMEP-MRVPVSSYSA-N -1 0 352.372 2.227 20 5 FEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cnc(OCC(F)F)cn3)no2)cc1[O-] ZINC000349628907 554734420 /nfs/dbraw/zinc/73/44/20/554734420.db2.gz ALDWIIRRKMOKCN-UHFFFAOYSA-N -1 0 365.252 2.451 20 5 FEBDRM CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000513814805 561950820 /nfs/dbraw/zinc/95/08/20/561950820.db2.gz HOFFXBOGTJOWFX-UHFFFAOYSA-N -1 0 354.315 2.257 20 5 FEBDRM CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000513814598 561950930 /nfs/dbraw/zinc/95/09/30/561950930.db2.gz CEUYTFSGZGBENH-UHFFFAOYSA-N -1 0 364.379 2.437 20 5 FEBDRM COC(=O)c1ccc(=NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[n-]n1 ZINC000619603516 555807196 /nfs/dbraw/zinc/80/71/96/555807196.db2.gz ZDYSYFQFZROFEP-UHFFFAOYSA-N -1 0 370.243 2.443 20 5 FEBDRM 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351.359 2.142 20 5 FEBDRM Cn1ccnc1[C@@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000833956178 605814104 /nfs/dbraw/zinc/81/41/04/605814104.db2.gz XRGNCNCETCIOQA-CJNGLKHVSA-N -1 0 373.413 2.397 20 5 FEBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000825810262 605836086 /nfs/dbraw/zinc/83/60/86/605836086.db2.gz UDVURUKOZRXRRW-MWLCHTKSSA-N -1 0 355.778 2.438 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000829515477 605875217 /nfs/dbraw/zinc/87/52/17/605875217.db2.gz JHZCREZFUBNQQH-LBPRGKRZSA-N -1 0 364.358 2.352 20 5 FEBDRM O=C([O-])N1CCC2(CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000834090871 605887343 /nfs/dbraw/zinc/88/73/43/605887343.db2.gz ZTHXLSZYBVNVKC-UHFFFAOYSA-N -1 0 362.386 2.270 20 5 FEBDRM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833832648 605890919 /nfs/dbraw/zinc/89/09/19/605890919.db2.gz UMHCWLDUAKTPJD-VHSXEESVSA-N -1 0 370.793 2.165 20 5 FEBDRM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833827313 605891469 /nfs/dbraw/zinc/89/14/69/605891469.db2.gz APPVEJBSNJGIMV-ZJUUUORDSA-N -1 0 370.793 2.165 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000834220863 605895843 /nfs/dbraw/zinc/89/58/43/605895843.db2.gz RYSHSLWBJWFCLF-JTQLQIEISA-N -1 0 373.312 2.459 20 5 FEBDRM C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000833836024 605897277 /nfs/dbraw/zinc/89/72/77/605897277.db2.gz IYELNUHNUFEORV-DTORHVGOSA-N -1 0 373.312 2.409 20 5 FEBDRM O=C([O-])N1CCC[C@@H]1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000834104076 605936755 /nfs/dbraw/zinc/93/67/55/605936755.db2.gz CMLZLRNAWKNCDY-OAHLLOKOSA-N -1 0 362.386 2.411 20 5 FEBDRM COc1ccc(NC(=O)N(C2CC2)[C@H]2CCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000833889814 605974024 /nfs/dbraw/zinc/97/40/24/605974024.db2.gz VXOUHTMZSKQKFG-LBPRGKRZSA-N -1 0 364.358 2.352 20 5 FEBDRM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000834250711 606037646 /nfs/dbraw/zinc/03/76/46/606037646.db2.gz QVCACGMEPCQBJM-ZFWWWQNUSA-N -1 0 364.329 2.353 20 5 FEBDRM O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3ccccc3[N+](=O)[O-])cc2C1 ZINC000834192730 606095414 /nfs/dbraw/zinc/09/54/14/606095414.db2.gz GNWZVNAIUAVLOC-LLVKDONJSA-N -1 0 356.338 2.367 20 5 FEBDRM O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826401753 608166593 /nfs/dbraw/zinc/16/65/93/608166593.db2.gz GAKRAKHQDTYBNB-YVMONPNESA-N -1 0 352.310 2.132 20 5 FEBDRM O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826401752 608166909 /nfs/dbraw/zinc/16/69/09/608166909.db2.gz GAKRAKHQDTYBNB-VMPITWQZSA-N -1 0 352.310 2.132 20 5 FEBDRM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000560889515 674624132 /nfs/dbraw/zinc/62/41/32/674624132.db2.gz XYHFGGUBDDDESA-NEPJUHHUSA-N -1 0 356.400 2.085 20 5 FEBDRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000814015231 674809823 /nfs/dbraw/zinc/80/98/23/674809823.db2.gz CIBPQRZQGYACKN-ZDUSSCGKSA-N -1 0 366.399 2.022 20 5 FEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000563207397 674858220 /nfs/dbraw/zinc/85/82/20/674858220.db2.gz LFRVCRKKCXDTKS-MEBBXXQBSA-N -1 0 353.400 2.463 20 5 FEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CCSC3)C2)n1 ZINC000563207398 674858394 /nfs/dbraw/zinc/85/83/94/674858394.db2.gz LFRVCRKKCXDTKS-ZUZCIYMTSA-N -1 0 353.400 2.463 20 5 FEBDRM CC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000563695164 674928684 /nfs/dbraw/zinc/92/86/84/674928684.db2.gz XZAHRSLPXPXQKF-OAHLLOKOSA-N -1 0 356.400 2.230 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CNC2=O ZINC000564058807 674968949 /nfs/dbraw/zinc/96/89/49/674968949.db2.gz FQOPCKZPHKWHIB-UHFFFAOYSA-N -1 0 361.379 2.201 20 5 FEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000564640516 675046795 /nfs/dbraw/zinc/04/67/95/675046795.db2.gz KYUOEFADUYNTJN-LKFCYVNXSA-N -1 0 358.416 2.331 20 5 FEBDRM CC[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564804582 675063742 /nfs/dbraw/zinc/06/37/42/675063742.db2.gz VVQPBRBUPWWHMC-WDEREUQCSA-N -1 0 356.400 2.398 20 5 FEBDRM CNc1nccc(C(=O)Nc2nc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000816952458 675090376 /nfs/dbraw/zinc/09/03/76/675090376.db2.gz LPRJZHIJGONBNX-UHFFFAOYSA-N -1 0 368.147 2.147 20 5 FEBDRM CCc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)sc1C ZINC000079283027 670603226 /nfs/dbraw/zinc/60/32/26/670603226.db2.gz XWGYYHKOXHSCQF-UHFFFAOYSA-N -1 0 357.413 2.732 20 5 FEBDRM CC(C)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000569841417 670621489 /nfs/dbraw/zinc/62/14/89/670621489.db2.gz UTUAIDLKDHERAF-CYBMUJFWSA-N -1 0 356.400 2.492 20 5 FEBDRM CC(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000570421512 670711803 /nfs/dbraw/zinc/71/18/03/670711803.db2.gz DYPOLFHLFAYGSM-JTQLQIEISA-N -1 0 370.305 2.001 20 5 FEBDRM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccco1 ZINC000093005200 670747824 /nfs/dbraw/zinc/74/78/24/670747824.db2.gz GBISGCNZEOGNFZ-NSHDSACASA-N -1 0 358.347 2.301 20 5 FEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000095557375 670759476 /nfs/dbraw/zinc/75/94/76/670759476.db2.gz IOTOOJICGWWGKH-UHFFFAOYSA-N -1 0 362.363 2.040 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000109038215 670835927 /nfs/dbraw/zinc/83/59/27/670835927.db2.gz WIAIQWBLVJNZKR-NSHDSACASA-N -1 0 366.370 2.484 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC000571498879 670882497 /nfs/dbraw/zinc/88/24/97/670882497.db2.gz AQUJQOIIRVJMMO-WBMJQRKESA-N -1 0 368.411 2.087 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000571804225 670926958 /nfs/dbraw/zinc/92/69/58/670926958.db2.gz MOSKQQZWPMUUDK-LBPRGKRZSA-N -1 0 350.371 2.315 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc3c2CNC3=O)c1C ZINC000573401603 671118290 /nfs/dbraw/zinc/11/82/90/671118290.db2.gz SVZHFZGGTMOYFM-UHFFFAOYSA-N -1 0 361.379 2.256 20 5 FEBDRM CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000573728467 671157398 /nfs/dbraw/zinc/15/73/98/671157398.db2.gz OXQOYKJXZYHYEY-LLVKDONJSA-N -1 0 355.778 2.037 20 5 FEBDRM Cc1cc(N2CCC(O[C@H]3CCOC3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573850571 671172447 /nfs/dbraw/zinc/17/24/47/671172447.db2.gz UETIIINGJMMDMD-ZDUSSCGKSA-N -1 0 350.371 2.376 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-])c1 ZINC000574161495 671209620 /nfs/dbraw/zinc/20/96/20/671209620.db2.gz QTVLKVHMCCZSKQ-JTQLQIEISA-N -1 0 358.416 2.379 20 5 FEBDRM C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[C@H]1CCC(=O)[O-] ZINC000574282149 671222633 /nfs/dbraw/zinc/22/26/33/671222633.db2.gz CMCFGGXXZDYSAG-CHWSQXEVSA-N -1 0 370.427 2.247 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000574684707 671267900 /nfs/dbraw/zinc/26/79/00/671267900.db2.gz JQRJLSASWHCKIA-UHFFFAOYSA-N -1 0 356.322 2.478 20 5 FEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221907 675195339 /nfs/dbraw/zinc/19/53/39/675195339.db2.gz QXMRIBGXZGZGGS-VHSXEESVSA-N -1 0 355.778 2.372 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](CCC(=O)[O-])[C@@H](C)C1 ZINC000576834513 671398394 /nfs/dbraw/zinc/39/83/94/671398394.db2.gz ZTYTUWZRFYVHHU-STQMWFEESA-N -1 0 370.427 2.415 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCS[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000577278175 671584498 /nfs/dbraw/zinc/58/44/98/671584498.db2.gz VQMMNPDUSMMNIV-NXEZZACHSA-N -1 0 374.440 2.116 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000578010689 671634772 /nfs/dbraw/zinc/63/47/72/671634772.db2.gz ZEVXHOWQAGUPOD-IUODEOHRSA-N -1 0 356.400 2.215 20 5 FEBDRM C[C@H](CC(=O)[O-])N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000579128464 671714474 /nfs/dbraw/zinc/71/44/74/671714474.db2.gz ASLXZFMBSMGFIJ-MRVPVSSYSA-N -1 0 359.176 2.221 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000579358658 671730384 /nfs/dbraw/zinc/73/03/84/671730384.db2.gz XADYRRXMAIDYSE-CABZTGNLSA-N -1 0 367.789 2.085 20 5 FEBDRM CCC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)[C@@H]1C(=O)[O-] ZINC000579680756 671752713 /nfs/dbraw/zinc/75/27/13/671752713.db2.gz UQVWADVVZJABBE-WFASDCNBSA-N -1 0 370.427 2.421 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cs1 ZINC000120208842 671919687 /nfs/dbraw/zinc/91/96/87/671919687.db2.gz KOXGLPNOZBIEKW-UHFFFAOYSA-N -1 0 369.359 2.177 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c1F ZINC000120819753 671936144 /nfs/dbraw/zinc/93/61/44/671936144.db2.gz RTYVZBPBKOUNTH-UHFFFAOYSA-N -1 0 371.321 2.081 20 5 FEBDRM O=C1CCc2cc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])ccc2N1 ZINC000121264255 671945508 /nfs/dbraw/zinc/94/55/08/671945508.db2.gz FBZVCYOGWZCNCD-UHFFFAOYSA-N -1 0 365.342 2.419 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000582106785 671968393 /nfs/dbraw/zinc/96/83/93/671968393.db2.gz PVSOKMHLFIKBMD-VXGBXAGGSA-N -1 0 356.400 2.215 20 5 FEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000582244931 671982024 /nfs/dbraw/zinc/98/20/24/671982024.db2.gz SCXOTISAMXOGCR-CMPLNLGQSA-N -1 0 354.384 2.246 20 5 FEBDRM Cc1cc(F)c(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000124645416 672000592 /nfs/dbraw/zinc/00/05/92/672000592.db2.gz FMDYPBHXNBJZLL-UHFFFAOYSA-N -1 0 374.296 2.439 20 5 FEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000127438933 672036901 /nfs/dbraw/zinc/03/69/01/672036901.db2.gz YDTAIDUHBXHFAZ-UHFFFAOYSA-N -1 0 373.818 2.072 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nc3ccccn3n2)cc1[N+](=O)[O-] ZINC000130682092 672078630 /nfs/dbraw/zinc/07/86/30/672078630.db2.gz REENXJKFEMYTCY-UHFFFAOYSA-N -1 0 367.774 2.400 20 5 FEBDRM Cc1oncc1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000132569600 672099304 /nfs/dbraw/zinc/09/93/04/672099304.db2.gz HRBQLAKTIJGCMF-UHFFFAOYSA-N -1 0 362.161 2.455 20 5 FEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)c(C)o1 ZINC000133542147 672112067 /nfs/dbraw/zinc/11/20/67/672112067.db2.gz DROADNJMPKJBRD-UHFFFAOYSA-N -1 0 373.774 2.159 20 5 FEBDRM CCc1ncsc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000160478767 672291463 /nfs/dbraw/zinc/29/14/63/672291463.db2.gz LHJKHHLEIPUZGY-UHFFFAOYSA-N -1 0 355.397 2.041 20 5 FEBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1C(N)=O ZINC000172891687 672345523 /nfs/dbraw/zinc/34/55/23/672345523.db2.gz CPTJLEHQOJYQBZ-UHFFFAOYSA-N -1 0 367.358 2.250 20 5 FEBDRM CCCc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000173894005 672355499 /nfs/dbraw/zinc/35/54/99/672355499.db2.gz BEVXWEZBSNYGHT-UHFFFAOYSA-N -1 0 369.424 2.264 20 5 FEBDRM O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000181259367 672424039 /nfs/dbraw/zinc/42/40/39/672424039.db2.gz QDSSQYDFKIGPJJ-UHFFFAOYSA-N -1 0 374.296 2.060 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]n1c(C)nc2sccc2c1=O ZINC000186298047 672544779 /nfs/dbraw/zinc/54/47/79/672544779.db2.gz FKWBOMBACCRYMY-UHFFFAOYSA-N -1 0 360.351 2.067 20 5 FEBDRM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000611535755 676042719 /nfs/dbraw/zinc/04/27/19/676042719.db2.gz MGOCXGRCNIWOQO-LLVKDONJSA-N -1 0 350.371 2.352 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C)(C)[C@H]2C(=O)[O-])c1 ZINC000591244206 672661694 /nfs/dbraw/zinc/66/16/94/672661694.db2.gz CTWHGUWVRJMSLS-CYBMUJFWSA-N -1 0 356.400 2.085 20 5 FEBDRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1=O ZINC000591327327 672670279 /nfs/dbraw/zinc/67/02/79/672670279.db2.gz ZKBKFXQJXRZQHL-BXUZGUMPSA-N -1 0 361.379 2.495 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1-n1ccnn1 ZINC000194192810 672751468 /nfs/dbraw/zinc/75/14/68/672751468.db2.gz 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ZINC000547879059 673896221 /nfs/dbraw/zinc/89/62/21/673896221.db2.gz FDIQAHCHUFENMX-ZDUSSCGKSA-N -1 0 370.408 2.377 20 5 FEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000547907887 673902507 /nfs/dbraw/zinc/90/25/07/673902507.db2.gz LXZQCIOQTSIEMT-MRVPVSSYSA-N -1 0 350.780 2.122 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C(=O)[O-])[C@@H](C)CC ZINC000547921766 673905120 /nfs/dbraw/zinc/90/51/20/673905120.db2.gz RXGKDLIAJUGUDX-IINYFYTJSA-N -1 0 358.416 2.277 20 5 FEBDRM C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547932762 673906500 /nfs/dbraw/zinc/90/65/00/673906500.db2.gz IVUBOMPGYMLFTR-RYUDHWBXSA-N -1 0 358.416 2.294 20 5 FEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000547936763 673907089 /nfs/dbraw/zinc/90/70/89/673907089.db2.gz QVNXRSKPPIAFGP-GXFFZTMASA-N -1 0 358.416 2.461 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000547935878 673907103 /nfs/dbraw/zinc/90/71/03/673907103.db2.gz CNKOIAZHHDSGSZ-TZMCWYRMSA-N -1 0 372.443 2.336 20 5 FEBDRM Cc1cccc([C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c1 ZINC000548206313 673934327 /nfs/dbraw/zinc/93/43/27/673934327.db2.gz VPMWDJQLSIXBSK-OAHLLOKOSA-N -1 0 364.379 2.149 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000548226109 673937952 /nfs/dbraw/zinc/93/79/52/673937952.db2.gz LZCFPCSIMLUZMU-HOCLYGCPSA-N -1 0 370.427 2.469 20 5 FEBDRM C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000548252196 673942980 /nfs/dbraw/zinc/94/29/80/673942980.db2.gz YXXVPOCTVSZIBI-GZMMTYOYSA-N -1 0 362.791 2.122 20 5 FEBDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000548263658 673944684 /nfs/dbraw/zinc/94/46/84/673944684.db2.gz KVEAHAXGPGAACE-PWSUYJOCSA-N -1 0 374.415 2.161 20 5 FEBDRM Cc1cccc(CN(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000548558440 673971508 /nfs/dbraw/zinc/97/15/08/673971508.db2.gz FTBJZVPYBLPVKO-UHFFFAOYSA-N -1 0 364.379 2.179 20 5 FEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000548560932 673972166 /nfs/dbraw/zinc/97/21/66/673972166.db2.gz GINCEYNQCRYJII-AWEZNQCLSA-N -1 0 358.416 2.331 20 5 FEBDRM CC(C)=CCSC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000548590832 673977254 /nfs/dbraw/zinc/97/72/54/673977254.db2.gz ASZWBLSOSVHSAA-NSHDSACASA-N -1 0 374.440 2.026 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccsc2)ccc1[N+](=O)[O-] ZINC000548594355 673978104 /nfs/dbraw/zinc/97/81/04/673978104.db2.gz PDQYHIYIJQSDJQ-GFCCVEGCSA-N -1 0 356.381 2.069 20 5 FEBDRM Cc1cccc([C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)[O-])c1C ZINC000548620060 673980754 /nfs/dbraw/zinc/98/07/54/673980754.db2.gz ZQVDRJZCWYNQLZ-OAHLLOKOSA-N -1 0 364.379 2.316 20 5 FEBDRM CCc1ccc(S(=O)(=O)N(C)[C@@H](C(=O)[O-])[C@H](C)CC)cc1[N+](=O)[O-] ZINC000566312503 675203486 /nfs/dbraw/zinc/20/34/86/675203486.db2.gz VCUPQSZLBBBJMM-QMTHXVAHSA-N -1 0 358.416 2.277 20 5 FEBDRM CCC(CC)(CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000818431464 675219220 /nfs/dbraw/zinc/21/92/20/675219220.db2.gz UATUDIVVJILJKZ-UHFFFAOYSA-N -1 0 362.379 2.212 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCC(C)(C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000566671911 675233536 /nfs/dbraw/zinc/23/35/36/675233536.db2.gz OTIRXVLEBWZDEH-ZDUSSCGKSA-N -1 0 356.400 2.167 20 5 FEBDRM COC(=O)CCCO[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000819932292 675325410 /nfs/dbraw/zinc/32/54/10/675325410.db2.gz JFIDTBLLCRJRAA-UHFFFAOYSA-N -1 0 362.791 2.341 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC=CCC1 ZINC000821602994 675442857 /nfs/dbraw/zinc/44/28/57/675442857.db2.gz FFEQWTDYSKGTOP-LLVKDONJSA-N -1 0 353.400 2.188 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000603968450 675802658 /nfs/dbraw/zinc/80/26/58/675802658.db2.gz SQZBMQNPFUVNNH-UHFFFAOYSA-N -1 0 372.380 2.252 20 5 FEBDRM CCOc1cccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000604035463 675803277 /nfs/dbraw/zinc/80/32/77/675803277.db2.gz RMIODVAAXHOISZ-UHFFFAOYSA-N -1 0 352.368 2.178 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(CC(C)(C)C)o1 ZINC000619507690 676382744 /nfs/dbraw/zinc/38/27/44/676382744.db2.gz CFZHVNXGYRAGNB-UHFFFAOYSA-N -1 0 370.387 2.376 20 5 FEBDRM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1N ZINC000619855728 676397298 /nfs/dbraw/zinc/39/72/98/676397298.db2.gz MCXDYCDKIBULQU-UHFFFAOYSA-N -1 0 365.367 2.073 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H](C)CC(F)(F)F ZINC000838790812 680719550 /nfs/dbraw/zinc/71/95/50/680719550.db2.gz LMMDXCOHSWELLI-MRVPVSSYSA-N -1 0 354.306 2.297 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)ccc1[N+](=O)[O-] ZINC000761430699 680723213 /nfs/dbraw/zinc/72/32/13/680723213.db2.gz HQLMXYRXCWNXPX-UHFFFAOYSA-N -1 0 356.400 2.379 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cc(C)c(C)o1 ZINC000838934730 680728001 /nfs/dbraw/zinc/72/80/01/680728001.db2.gz ZCWJWSBTYUIZMH-UHFFFAOYSA-N -1 0 367.383 2.355 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C=C1CCCC1 ZINC000838934200 680728127 /nfs/dbraw/zinc/72/81/27/680728127.db2.gz RKENKJMWVHUYDH-UHFFFAOYSA-N -1 0 353.400 2.332 20 5 FEBDRM Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc([N+](=O)[O-])c1F ZINC000762443897 680750072 /nfs/dbraw/zinc/75/00/72/680750072.db2.gz LOKOUOQLGQTLCA-UHFFFAOYSA-N -1 0 368.342 2.470 20 5 FEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000764566900 680814985 /nfs/dbraw/zinc/81/49/85/680814985.db2.gz YEDMEZNDEKHHIL-UHFFFAOYSA-N -1 0 373.456 2.167 20 5 FEBDRM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000840900492 680851520 /nfs/dbraw/zinc/85/15/20/680851520.db2.gz YPNGMVWWPJKLQV-LLVKDONJSA-N -1 0 356.400 2.350 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCC(C)(C)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000766009022 680863038 /nfs/dbraw/zinc/86/30/38/680863038.db2.gz BJOZEGSXSHGXHN-LBPRGKRZSA-N -1 0 374.390 2.306 20 5 FEBDRM CCC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)OC ZINC000831763028 680039687 /nfs/dbraw/zinc/03/96/87/680039687.db2.gz KSYXZQBBHWUPCS-SECBINFHSA-N -1 0 354.787 2.481 20 5 FEBDRM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000832522974 680143485 /nfs/dbraw/zinc/14/34/85/680143485.db2.gz DAWRTOSUFXTANT-CPFSXVBKSA-N -1 0 366.798 2.479 20 5 FEBDRM O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OCc1ccc(Cl)cc1 ZINC000753352427 680289156 /nfs/dbraw/zinc/28/91/56/680289156.db2.gz PKYGJSHMCMXRCE-UHFFFAOYSA-N -1 0 364.741 2.427 20 5 FEBDRM CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000753408510 680295241 /nfs/dbraw/zinc/29/52/41/680295241.db2.gz WPXSUIOSCQARMH-UHFFFAOYSA-N -1 0 373.387 2.380 20 5 FEBDRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000835115500 680297212 /nfs/dbraw/zinc/29/72/12/680297212.db2.gz CRUYTFPYIOATEA-SNVBAGLBSA-N -1 0 373.387 2.380 20 5 FEBDRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000835223637 680308005 /nfs/dbraw/zinc/30/80/05/680308005.db2.gz JEGMDOPRSHLVEL-LLVKDONJSA-N -1 0 358.416 2.481 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C2\CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000753799244 680315458 /nfs/dbraw/zinc/31/54/58/680315458.db2.gz RDSLGUWYCIANRF-NGPGYTDTSA-N -1 0 354.384 2.155 20 5 FEBDRM CSc1ccncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000754269929 680347069 /nfs/dbraw/zinc/34/70/69/680347069.db2.gz RGQGQWMZTAUZQX-UHFFFAOYSA-N -1 0 370.368 2.421 20 5 FEBDRM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000835744719 680376547 /nfs/dbraw/zinc/37/65/47/680376547.db2.gz VTDVEXSGVXCTDG-IPYPFGDCSA-N -1 0 352.412 2.162 20 5 FEBDRM CCCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])n1C ZINC000835828440 680387318 /nfs/dbraw/zinc/38/73/18/680387318.db2.gz YEADWJLIZKICCQ-UHFFFAOYSA-N -1 0 351.384 2.005 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000755748001 680433019 /nfs/dbraw/zinc/43/30/19/680433019.db2.gz VRSCYULSXFUPCM-UHFFFAOYSA-N -1 0 364.379 2.339 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000755787207 680435961 /nfs/dbraw/zinc/43/59/61/680435961.db2.gz UHJVMPWDHMOFGH-LLVKDONJSA-N -1 0 364.379 2.424 20 5 FEBDRM Cc1nc(C)c(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(=O)[nH]1 ZINC000756996778 680510217 /nfs/dbraw/zinc/51/02/17/680510217.db2.gz ICUNMPVPHFWFCO-UHFFFAOYSA-N -1 0 350.762 2.220 20 5 FEBDRM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837288526 680580829 /nfs/dbraw/zinc/58/08/29/680580829.db2.gz AMVRLKNQRRVHGJ-VIFPVBQESA-N -1 0 366.754 2.015 20 5 FEBDRM CCC[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000837295079 680583474 /nfs/dbraw/zinc/58/34/74/680583474.db2.gz HTUWHTRHVKYUGX-HZMBPMFUSA-N -1 0 374.390 2.306 20 5 FEBDRM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837423858 680601375 /nfs/dbraw/zinc/60/13/75/680601375.db2.gz JPBFBHLYPKKMSP-AWEZNQCLSA-N -1 0 350.371 2.381 20 5 FEBDRM O=C(CCS(=O)(=O)C1CCCC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837444540 680603984 /nfs/dbraw/zinc/60/39/84/680603984.db2.gz ZIBKXYCFCAKRIX-UHFFFAOYSA-N -1 0 357.384 2.091 20 5 FEBDRM O=C(/C=C/SCc1ccco1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000759814669 680668677 /nfs/dbraw/zinc/66/86/77/680668677.db2.gz CXLBGGHDAIBSFQ-VQHVLOKHSA-N -1 0 368.392 2.440 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000760116727 680677264 /nfs/dbraw/zinc/67/72/64/680677264.db2.gz LUQPNODUPVYQJS-JTQLQIEISA-N -1 0 364.807 2.334 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)c1F ZINC000760353912 680683864 /nfs/dbraw/zinc/68/38/64/680683864.db2.gz BDDQSSPHALUAFP-UHFFFAOYSA-N -1 0 364.305 2.305 20 5 FEBDRM CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000766220391 680870890 /nfs/dbraw/zinc/87/08/90/680870890.db2.gz BGVMDVZABVUKOX-UHFFFAOYSA-N -1 0 372.790 2.144 20 5 FEBDRM CO[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000842295976 680937122 /nfs/dbraw/zinc/93/71/22/680937122.db2.gz DSKDQBODYNYRKC-NSHDSACASA-N -1 0 364.807 2.114 20 5 FEBDRM CCOC1(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000842403655 680944317 /nfs/dbraw/zinc/94/43/17/680944317.db2.gz HMFYJCHZGGEJSS-UHFFFAOYSA-N -1 0 370.427 2.199 20 5 FEBDRM CCc1cccnc1C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404012 680944425 /nfs/dbraw/zinc/94/44/25/680944425.db2.gz LHDNUHQFJLTJRB-UHFFFAOYSA-N -1 0 363.395 2.120 20 5 FEBDRM C/C=C(/C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842451824 680947706 /nfs/dbraw/zinc/94/77/06/680947706.db2.gz LUOYVVZSLXACGH-CLTKARDFSA-N -1 0 352.290 2.385 20 5 FEBDRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCc2ccccc21 ZINC000842716461 680961810 /nfs/dbraw/zinc/96/18/10/680961810.db2.gz UTDYUJVBBLBMIA-HNNXBMFYSA-N -1 0 366.420 2.365 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000768865690 680962354 /nfs/dbraw/zinc/96/23/54/680962354.db2.gz LGFADTVEQQDBFB-UHFFFAOYSA-N -1 0 371.758 2.231 20 5 FEBDRM C[C@](O)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000769498735 680985176 /nfs/dbraw/zinc/98/51/76/680985176.db2.gz MSPBZOMDBURDHK-INIZCTEOSA-N -1 0 352.293 2.216 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000769670732 680991128 /nfs/dbraw/zinc/99/11/28/680991128.db2.gz HCPKMQSBAKRXPW-UHFFFAOYSA-N -1 0 364.335 2.075 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c(F)c1 ZINC000769847733 680997180 /nfs/dbraw/zinc/99/71/80/680997180.db2.gz YJXLLOVZQCOHME-UHFFFAOYSA-N -1 0 372.281 2.405 20 5 FEBDRM C[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000843333339 680998543 /nfs/dbraw/zinc/99/85/43/680998543.db2.gz JNRMNRNHYRCRDN-WPRPVWTQSA-N -1 0 358.753 2.499 20 5 FEBDRM O=C([O-])Cc1ccc(N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000844212548 681044873 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550947029 /nfs/dbraw/zinc/94/70/29/550947029.db2.gz ZXOYUSQLKFPLAO-UHFFFAOYSA-N -1 0 352.372 2.318 20 5 FEBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc([C@@H]2CCCOC2)[nH]n1 ZINC000280275045 550975981 /nfs/dbraw/zinc/97/59/81/550975981.db2.gz LFABKFWCBYHRMF-LLVKDONJSA-N -1 0 366.399 2.154 20 5 FEBDRM CCOc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000282145847 551186547 /nfs/dbraw/zinc/18/65/47/551186547.db2.gz ZYJRHVYVWPMLGC-UHFFFAOYSA-N -1 0 374.806 2.490 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000282225256 551197899 /nfs/dbraw/zinc/19/78/99/551197899.db2.gz BCVUCKJEQRQGAQ-BDAKNGLRSA-N -1 0 362.791 2.040 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000282263185 551203275 /nfs/dbraw/zinc/20/32/75/551203275.db2.gz HACJCTFDRFNBDE-RKDXNWHRSA-N -1 0 362.791 2.040 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000282313544 551210297 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COc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000547904009 673901578 /nfs/dbraw/zinc/90/15/78/673901578.db2.gz COVZFECZRQWUKH-UHFFFAOYSA-N -1 0 366.351 2.244 20 5 FEBDRM O=C([O-])C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000548198149 673932981 /nfs/dbraw/zinc/93/29/81/673932981.db2.gz GZBZHQSKLUVOOL-NSHDSACASA-N -1 0 374.371 2.290 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC(C)(C)C(=O)[O-])cc1C ZINC000548216184 673936060 /nfs/dbraw/zinc/93/60/60/673936060.db2.gz UZHOWAGACOCXCV-UHFFFAOYSA-N -1 0 358.416 2.381 20 5 FEBDRM CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000548218307 673936612 /nfs/dbraw/zinc/93/66/12/673936612.db2.gz IWUCYJVWBVYORD-SNVBAGLBSA-N -1 0 367.383 2.015 20 5 FEBDRM Cc1ccc(S(=O)(=O)NC[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000548220134 673936859 /nfs/dbraw/zinc/93/68/59/673936859.db2.gz ZMLBEKPMPKXGCZ-BZNIZROVSA-N -1 0 370.427 2.463 20 5 FEBDRM Cc1sc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000548266363 673945246 /nfs/dbraw/zinc/94/52/46/673945246.db2.gz WAXIQIXNINXOSK-MRVPVSSYSA-N -1 0 350.418 2.277 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000548450969 673959800 /nfs/dbraw/zinc/95/98/00/673959800.db2.gz UJFRUBOLUGKHAN-QWHCGFSZSA-N -1 0 352.412 2.427 20 5 FEBDRM O=C([O-])[C@H]1CCCCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000548558836 673971863 /nfs/dbraw/zinc/97/18/63/673971863.db2.gz BRKATTOJDVXLAS-UONOGXRCSA-N -1 0 356.400 2.297 20 5 FEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000548567667 673973833 /nfs/dbraw/zinc/97/38/33/673973833.db2.gz JUBLSNKWRMKAFD-AWEZNQCLSA-N -1 0 358.416 2.331 20 5 FEBDRM CO[C@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000566505306 675219970 /nfs/dbraw/zinc/21/99/70/675219970.db2.gz GUDLLJLEZSDAQR-SWLSCSKDSA-N -1 0 350.371 2.422 20 5 FEBDRM Cc1cc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566622102 675229894 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KTPUECZMRWBTEP-QMMMGPOBSA-N -1 0 372.175 2.182 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000619467558 676378156 /nfs/dbraw/zinc/37/81/56/676378156.db2.gz OLDWOHLOVIZGGU-QHCPKHFHSA-N -1 0 370.408 2.142 20 5 FEBDRM CCn1nc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1C ZINC000619467382 676378208 /nfs/dbraw/zinc/37/82/08/676378208.db2.gz DSNLEEAHZCFZQO-UHFFFAOYSA-N -1 0 354.388 2.237 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000619468391 676378452 /nfs/dbraw/zinc/37/84/52/676378452.db2.gz YVMMABODHDYDHJ-UHFFFAOYSA-N -1 0 366.351 2.127 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000830173173 677028598 /nfs/dbraw/zinc/02/85/98/677028598.db2.gz SDDSLFNWTPNNGC-UHFFFAOYSA-N -1 0 371.806 2.285 20 5 FEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000830817083 677062880 /nfs/dbraw/zinc/06/28/80/677062880.db2.gz XLEAJMXBGHTWFS-CYBMUJFWSA-N -1 0 363.267 2.017 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000838805517 680720279 /nfs/dbraw/zinc/72/02/79/680720279.db2.gz ITHUZLHVBHHGKJ-QMMMGPOBSA-N -1 0 354.306 2.297 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000761415981 680722894 /nfs/dbraw/zinc/72/28/94/680722894.db2.gz GJIHEWUZDGZVKR-UHFFFAOYSA-N -1 0 370.408 2.021 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(F)CCCC1 ZINC000838936831 680728291 /nfs/dbraw/zinc/72/82/91/680728291.db2.gz SACABKFEWBLBTC-UHFFFAOYSA-N -1 0 359.379 2.114 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CCCC1 ZINC000839056731 680734653 /nfs/dbraw/zinc/73/46/53/680734653.db2.gz JPFYCPYQLHORTL-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000762730705 680760092 /nfs/dbraw/zinc/76/00/92/680760092.db2.gz ICCCLDBCXACHTA-SLQMCABGSA-N -1 0 352.412 2.330 20 5 FEBDRM CCO[C@@H](CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000762737869 680760262 /nfs/dbraw/zinc/76/02/62/680760262.db2.gz IGCJHXZDJYUMPK-HNNXBMFYSA-N -1 0 372.443 2.035 20 5 FEBDRM Cc1cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1F ZINC000763278138 680778327 /nfs/dbraw/zinc/77/83/27/680778327.db2.gz ITDXRYFODWORKJ-UHFFFAOYSA-N -1 0 369.330 2.124 20 5 FEBDRM CO[C@@H](C)CS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840955013 680856689 /nfs/dbraw/zinc/85/66/89/680856689.db2.gz QGYLOVIQNUNAJJ-CPCISQLKSA-N -1 0 374.312 2.292 20 5 FEBDRM CC1(C)CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000766008884 680863071 /nfs/dbraw/zinc/86/30/71/680863071.db2.gz AFHQFKRAQIUWIR-CQSZACIVSA-N -1 0 370.427 2.042 20 5 FEBDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)o1 ZINC000748639244 679982998 /nfs/dbraw/zinc/98/29/98/679982998.db2.gz FHBSQPWSDICHGV-UHFFFAOYSA-N -1 0 358.303 2.304 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000750695480 680127817 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COc1cc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cc([N+](=O)[O-])c1C ZINC000835741132 680375453 /nfs/dbraw/zinc/37/54/53/680375453.db2.gz CPFCDXFCVKCRRL-ZETOZRRWSA-N -1 0 368.411 2.160 20 5 FEBDRM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)CCOC(C)(C)C ZINC000835919302 680398412 /nfs/dbraw/zinc/39/84/12/680398412.db2.gz SGHRTPJYGUXFQK-QXMHVHEDSA-N -1 0 370.427 2.259 20 5 FEBDRM CCSc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)ccn1 ZINC000755683080 680428400 /nfs/dbraw/zinc/42/84/00/680428400.db2.gz ZTSHNFRVSYYSDL-UHFFFAOYSA-N -1 0 373.437 2.282 20 5 FEBDRM CC(=O)C(C)(C)CCC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000755741577 680432589 /nfs/dbraw/zinc/43/25/89/680432589.db2.gz VSTRZTSXWMKWMM-UHFFFAOYSA-N -1 0 370.427 2.412 20 5 FEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c(Cl)c1 ZINC000755811009 680438041 /nfs/dbraw/zinc/43/80/41/680438041.db2.gz FXXIUIGNFIRKKW-UHFFFAOYSA-N -1 0 355.759 2.070 20 5 FEBDRM O=C(/C=C\c1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000755910112 680444424 /nfs/dbraw/zinc/44/44/24/680444424.db2.gz LGEJNXRGKLRRAH-TWGQIWQCSA-N -1 0 350.327 2.252 20 5 FEBDRM O=C(/C=C\SCc1ccco1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000759814666 680668710 /nfs/dbraw/zinc/66/87/10/680668710.db2.gz CXLBGGHDAIBSFQ-CLFYSBASSA-N -1 0 368.392 2.440 20 5 FEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000766454669 680877550 /nfs/dbraw/zinc/87/75/50/680877550.db2.gz ORHNQJXKXKNYFV-UHFFFAOYSA-N -1 0 354.409 2.439 20 5 FEBDRM CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000841411763 680879222 /nfs/dbraw/zinc/87/92/22/680879222.db2.gz ZERKZCQOIVVMRY-UHFFFAOYSA-N -1 0 351.359 2.496 20 5 FEBDRM CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000841419544 680879802 /nfs/dbraw/zinc/87/98/02/680879802.db2.gz JVTCRTTVMWEREK-UHFFFAOYSA-N -1 0 351.359 2.496 20 5 FEBDRM CCCN(CC(=O)[O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000841490494 680886904 /nfs/dbraw/zinc/88/69/04/680886904.db2.gz 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CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000842586364 680953623 /nfs/dbraw/zinc/95/36/23/680953623.db2.gz LFZDIQTXIDHOOH-UHFFFAOYSA-N -1 0 359.795 2.133 20 5 FEBDRM Cc1ncccc1C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000768754475 680957109 /nfs/dbraw/zinc/95/71/09/680957109.db2.gz BCUQVSRIGDSFJX-UHFFFAOYSA-N -1 0 369.786 2.379 20 5 FEBDRM COCCn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cn1 ZINC000769631010 680989525 /nfs/dbraw/zinc/98/95/25/680989525.db2.gz QUQBYSOIDBUUIH-UHFFFAOYSA-N -1 0 374.806 2.200 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000843333389 680998574 /nfs/dbraw/zinc/99/85/74/680998574.db2.gz MMEKHPWRWKVROP-ISVAXAHUSA-N -1 0 351.315 2.137 20 5 FEBDRM C[C@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000770772940 681027208 /nfs/dbraw/zinc/02/72/08/681027208.db2.gz RSJIYCYVXKPGTQ-CMPLNLGQSA-N -1 0 374.390 2.134 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000844208174 681044591 /nfs/dbraw/zinc/04/45/91/681044591.db2.gz JWCQYHVMKZYRLC-AWEZNQCLSA-N -1 0 350.371 2.457 20 5 FEBDRM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000844213522 681045241 /nfs/dbraw/zinc/04/52/41/681045241.db2.gz IKKXNNRZMOVONN-JTQLQIEISA-N -1 0 361.320 2.295 20 5 FEBDRM O=C(CCCC(F)(F)F)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000771259488 681048751 /nfs/dbraw/zinc/04/87/51/681048751.db2.gz QUECKXGQQHQAKL-UHFFFAOYSA-N -1 0 354.306 2.273 20 5 FEBDRM O=C(NCCNc1ncnc2sccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772255481 681090606 /nfs/dbraw/zinc/09/06/06/681090606.db2.gz NBSSHEJSXTVKGS-UHFFFAOYSA-N -1 0 359.367 2.147 20 5 FEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CCCC1 ZINC000845497116 681132841 /nfs/dbraw/zinc/13/28/41/681132841.db2.gz YMWXUCISLZFPLR-JKSUJKDBSA-N -1 0 366.439 2.410 20 5 FEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845497115 681132919 /nfs/dbraw/zinc/13/29/19/681132919.db2.gz 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O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000847894778 681448146 /nfs/dbraw/zinc/44/81/46/681448146.db2.gz OWNZAXYYKXUFRH-MRVWCRGKSA-N -1 0 367.427 2.401 20 5 FEBDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1[N+](=O)[O-] ZINC000777666007 681519604 /nfs/dbraw/zinc/51/96/04/681519604.db2.gz CTGFYFZXCRBSIA-UHFFFAOYSA-N -1 0 366.355 2.277 20 5 FEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778404934 681609100 /nfs/dbraw/zinc/60/91/00/681609100.db2.gz XYBDCOJRFJRGIJ-UHFFFAOYSA-N -1 0 361.295 2.466 20 5 FEBDRM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779207718 681689191 /nfs/dbraw/zinc/68/91/91/681689191.db2.gz BNVCTUDWMXIHLY-UHFFFAOYSA-N -1 0 366.342 2.302 20 5 FEBDRM Cc1cc2c(cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C)OCO2 ZINC000781116043 681903224 /nfs/dbraw/zinc/90/32/24/681903224.db2.gz XLSATMAYVXJMNP-UHFFFAOYSA-N -1 0 366.351 2.447 20 5 FEBDRM CC(=O)[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885937 681974138 /nfs/dbraw/zinc/97/41/38/681974138.db2.gz NLPVBFKLWUHUCY-SNVBAGLBSA-N -1 0 374.390 2.324 20 5 FEBDRM O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850886418 681974289 /nfs/dbraw/zinc/97/42/89/681974289.db2.gz VMXSCHRKVUKTNO-UHFFFAOYSA-N -1 0 358.269 2.271 20 5 FEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850894314 681975859 /nfs/dbraw/zinc/97/58/59/681975859.db2.gz FKHVXMYUXVFCNX-YUELXQCFSA-N -1 0 352.412 2.020 20 5 FEBDRM CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000781827097 681977664 /nfs/dbraw/zinc/97/76/64/681977664.db2.gz ZNEGNAORKUPDMB-ZYHUDNBSSA-N -1 0 374.390 2.134 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)CCCc1cccnc1 ZINC000850980796 681992899 /nfs/dbraw/zinc/99/28/99/681992899.db2.gz IAUOKOIPRFDKGN-UHFFFAOYSA-N -1 0 363.395 2.126 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccco1 ZINC000850982086 681993365 /nfs/dbraw/zinc/99/33/65/681993365.db2.gz VHRSRDJJVZWTDH-JTQLQIEISA-N -1 0 352.368 2.180 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CC2(CC2)C1 ZINC000851023378 682000870 /nfs/dbraw/zinc/00/08/70/682000870.db2.gz DXPNVSWPWVFHQE-UHFFFAOYSA-N -1 0 353.400 2.022 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000782263355 682022454 /nfs/dbraw/zinc/02/24/54/682022454.db2.gz ZQPPQWZYQZNLIN-UHFFFAOYSA-N -1 0 371.302 2.452 20 5 FEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC(F)F ZINC000851361081 682057136 /nfs/dbraw/zinc/05/71/36/682057136.db2.gz LLTPFYDWAQGKRY-UHFFFAOYSA-N -1 0 368.383 2.420 20 5 FEBDRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000851626194 682096985 /nfs/dbraw/zinc/09/69/85/682096985.db2.gz KTHRYLXGQNEVAL-KBTIHESUSA-N -1 0 361.123 2.089 20 5 FEBDRM CC(=O)[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000783127589 682114682 /nfs/dbraw/zinc/11/46/82/682114682.db2.gz NHTYRJWJLCJSNS-JTQLQIEISA-N 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CC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000789475562 682608147 /nfs/dbraw/zinc/60/81/47/682608147.db2.gz MCBZOANNPHCRQR-UHFFFAOYSA-N -1 0 362.363 2.225 20 5 FEBDRM Cc1cncc(/C=C\C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000789478423 682608230 /nfs/dbraw/zinc/60/82/30/682608230.db2.gz HFETZJVTMHFSHF-SREVYHEPSA-N -1 0 361.379 2.125 20 5 FEBDRM COCCC1(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000789477767 682608245 /nfs/dbraw/zinc/60/82/45/682608245.db2.gz DHVAGZPZIZZBSN-UHFFFAOYSA-N -1 0 370.427 2.305 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)c1ccnc(C2CC2)c1 ZINC000789486278 682609318 /nfs/dbraw/zinc/60/93/18/682609318.db2.gz OJAVUSFBKGECGM-UHFFFAOYSA-N -1 0 361.379 2.294 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)ccc1[N+](=O)[O-] ZINC000790351222 682669727 /nfs/dbraw/zinc/66/97/27/682669727.db2.gz RWGDPEVHMBPIBB-UHFFFAOYSA-N -1 0 361.379 2.441 20 5 FEBDRM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])[N-]OCCN1CCCC1=O ZINC000856043110 682737361 /nfs/dbraw/zinc/73/73/61/682737361.db2.gz SSUQOAUMQGLNCA-UHFFFAOYSA-N -1 0 373.818 2.011 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000793341153 682882980 /nfs/dbraw/zinc/88/29/80/682882980.db2.gz HBLXGCIFVBLHHR-UHFFFAOYSA-N -1 0 364.379 2.339 20 5 FEBDRM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC000795881216 683103712 /nfs/dbraw/zinc/10/37/12/683103712.db2.gz OLAXASIFVFAQKI-YFKPBYRVSA-N -1 0 364.742 2.118 20 5 FEBDRM CC[C@@H](C)[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796609770 683177843 /nfs/dbraw/zinc/17/78/43/683177843.db2.gz BFRNMTIVSUOTHT-PRHODGIISA-N -1 0 364.807 2.114 20 5 FEBDRM COc1c(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000796621328 683178821 /nfs/dbraw/zinc/17/88/21/683178821.db2.gz YURRADARFYIWLF-UHFFFAOYSA-N -1 0 370.770 2.376 20 5 FEBDRM COc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000796719414 683189767 /nfs/dbraw/zinc/18/97/67/683189767.db2.gz 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ORNNAURAXQWCOG-UHFFFAOYSA-N -1 0 355.694 2.163 20 5 FEBDRM CC(C)c1n[nH]c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097170 604930413 /nfs/dbraw/zinc/93/04/13/604930413.db2.gz GQZBFFNFZOXPIZ-AWEZNQCLSA-N -1 0 358.354 2.266 20 5 FEBDRM COCC1(C)CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833722706 605007246 /nfs/dbraw/zinc/00/72/46/605007246.db2.gz DTLLWWWEBNRHOT-UHFFFAOYSA-N -1 0 353.331 2.454 20 5 FEBDRM C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833573025 605221853 /nfs/dbraw/zinc/22/18/53/605221853.db2.gz XFHWCXUTMSCLQF-MRXNPFEDSA-N -1 0 368.411 2.149 20 5 FEBDRM CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000833663673 605324388 /nfs/dbraw/zinc/32/43/88/605324388.db2.gz ZTHJZJJJJOBMTR-UHFFFAOYSA-N -1 0 366.351 2.493 20 5 FEBDRM C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1 ZINC000833523853 605386982 /nfs/dbraw/zinc/38/69/82/605386982.db2.gz ZARVMBMKGBMDMI-JTQLQIEISA-N -1 0 350.352 2.333 20 5 FEBDRM C[C@@H](c1ccco1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833548266 605391098 /nfs/dbraw/zinc/39/10/98/605391098.db2.gz CBCBGMQBUQLBTO-VIFPVBQESA-N -1 0 354.340 2.268 20 5 FEBDRM C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1cccc(O)c1 ZINC000833523306 605396904 /nfs/dbraw/zinc/39/69/04/605396904.db2.gz LYLLXWYAJPNIAM-SECBINFHSA-N -1 0 366.351 2.038 20 5 FEBDRM O=C([O-])N1CC[C@@H](N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C2CC2)C1 ZINC000831933896 605461526 /nfs/dbraw/zinc/46/15/26/605461526.db2.gz CWDADJJWSXGBDH-GFCCVEGCSA-N -1 0 358.354 2.433 20 5 FEBDRM COC(=O)c1cc(N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000828744489 605489074 /nfs/dbraw/zinc/48/90/74/605489074.db2.gz UFULEIGLINRJKW-WDEREUQCSA-N -1 0 351.359 2.315 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000833818256 605501345 /nfs/dbraw/zinc/50/13/45/605501345.db2.gz PMEDATBETJEZBB-JGVFFNPUSA-N -1 0 359.180 2.235 20 5 FEBDRM O=C([O-])NC[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000834205628 605525502 /nfs/dbraw/zinc/52/55/02/605525502.db2.gz MFIMIZOOLQRJBA-GFCCVEGCSA-N -1 0 370.793 2.136 20 5 FEBDRM O=C([O-])N[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000834148545 605527522 /nfs/dbraw/zinc/52/75/22/605527522.db2.gz VFVQLYHQUPMYPD-LBPRGKRZSA-N -1 0 373.321 2.062 20 5 FEBDRM O=C([O-])NC[C@H]1CCCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000834216676 605542350 /nfs/dbraw/zinc/54/23/50/605542350.db2.gz UWNUHEQMCAZAQZ-GFCCVEGCSA-N -1 0 370.793 2.232 20 5 FEBDRM O=C([O-])NC[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000834226108 605573157 /nfs/dbraw/zinc/57/31/57/605573157.db2.gz VBXHYHRWJMHJMT-JTQLQIEISA-N -1 0 358.192 2.447 20 5 FEBDRM O=C([O-])N(CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000834002865 605588666 /nfs/dbraw/zinc/58/86/66/605588666.db2.gz MIYIAWNZIGEJHF-UHFFFAOYSA-N -1 0 361.310 2.435 20 5 FEBDRM O=C([O-])N1CCSC[C@H]1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831414292 605676551 /nfs/dbraw/zinc/67/65/51/605676551.db2.gz LSSBBLKXAIPRHJ-LLVKDONJSA-N -1 0 373.818 2.350 20 5 FEBDRM C[C@@H](O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC000833526237 605773972 /nfs/dbraw/zinc/77/39/72/605773972.db2.gz GZAIPRSJKUOXAD-GHMZBOCLSA-N -1 0 368.411 2.005 20 5 FEBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000825839778 605865804 /nfs/dbraw/zinc/86/58/04/605865804.db2.gz WTSVOYQTWYOAQX-GWCFXTLKSA-N -1 0 362.386 2.430 20 5 FEBDRM O=C([O-])N1CCc2ncc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cc2C1 ZINC000834057383 605934244 /nfs/dbraw/zinc/93/42/44/605934244.db2.gz KCNZHDABUUBMIB-UHFFFAOYSA-N -1 0 360.301 2.417 20 5 FEBDRM C[C@H](NC(=O)N1C[C@H](C)N(C(=O)[O-])C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000833812287 605953498 /nfs/dbraw/zinc/95/34/98/605953498.db2.gz JQVMZAGDLAONLU-WOPDTQHZSA-N -1 0 350.375 2.438 20 5 FEBDRM COc1ccc(NC(=O)N2C[C@@H](C)N(C(=O)[O-])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000833889333 605973834 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20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000564922886 675077847 /nfs/dbraw/zinc/07/78/47/675077847.db2.gz HSHGIUWHJSSAOX-JTQLQIEISA-N -1 0 356.400 2.412 20 5 FEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)nc1 ZINC000047418182 670241669 /nfs/dbraw/zinc/24/16/69/670241669.db2.gz UTVSXFYTZASVJX-UHFFFAOYSA-N -1 0 363.330 2.115 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccsc2)c([N+](=O)[O-])c1 ZINC000565474176 675124880 /nfs/dbraw/zinc/12/48/80/675124880.db2.gz KNNAKIMFYKXNRD-LBPRGKRZSA-N -1 0 356.381 2.069 20 5 FEBDRM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565574091 675133230 /nfs/dbraw/zinc/13/32/30/675133230.db2.gz XTEVCDOZNAROMS-UHFFFAOYSA-N -1 0 357.775 2.130 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000109039164 670835869 /nfs/dbraw/zinc/83/58/69/670835869.db2.gz JWLLXGDEKQJZHG-SECBINFHSA-N -1 0 370.333 2.482 20 5 FEBDRM COc1cc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c([N+](=O)[O-])cc1O ZINC000573370815 671114639 /nfs/dbraw/zinc/11/46/39/671114639.db2.gz MNBMGYAYTVPIKX-ZETCQYMHSA-N -1 0 353.356 2.315 20 5 FEBDRM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000574260445 671219345 /nfs/dbraw/zinc/21/93/45/671219345.db2.gz IVZRLHDECMKWIP-LLVKDONJSA-N -1 0 351.384 2.346 20 5 FEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000817864803 675183874 /nfs/dbraw/zinc/18/38/74/675183874.db2.gz FZZFWLNXHNZMIO-NXEZZACHSA-N -1 0 354.334 2.458 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](CCC(=O)[O-])[C@@H](C)C1 ZINC000574775259 671276159 /nfs/dbraw/zinc/27/61/59/671276159.db2.gz DMXMTVLSZMAWCF-STQMWFEESA-N -1 0 370.427 2.415 20 5 FEBDRM O=C(NCc1nnc2n1CCCCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000576348423 671362631 /nfs/dbraw/zinc/36/26/31/671362631.db2.gz COSGIUWPPJLLIT-UHFFFAOYSA-N -1 0 365.777 2.202 20 5 FEBDRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C(=O)[O-])C1 ZINC000576956887 671407209 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354.315 2.443 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nc(C)cn2c1 ZINC000610032511 675948183 /nfs/dbraw/zinc/94/81/83/675948183.db2.gz IZWJJBBDWGRFSK-UHFFFAOYSA-N -1 0 362.367 2.360 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000610058652 675949103 /nfs/dbraw/zinc/94/91/03/675949103.db2.gz MIUVIMRXSCAFKL-UHFFFAOYSA-N -1 0 359.367 2.285 20 5 FEBDRM CO[C@H](C)c1nc(=NC(=O)NCc2cccc([N+](=O)[O-])c2C)s[n-]1 ZINC000581159958 671868464 /nfs/dbraw/zinc/86/84/64/671868464.db2.gz ZWALDCFIPUAANS-SECBINFHSA-N -1 0 351.388 2.206 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)cs1 ZINC000120049684 671915021 /nfs/dbraw/zinc/91/50/21/671915021.db2.gz FANOCLMJZRDMKH-UHFFFAOYSA-N -1 0 351.369 2.242 20 5 FEBDRM O=C(/C=C/c1ccccc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120597977 671930124 /nfs/dbraw/zinc/93/01/24/671930124.db2.gz ZYQPAIWUCMYXED-VMPITWQZSA-N -1 0 368.317 2.391 20 5 FEBDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000120615386 671930552 /nfs/dbraw/zinc/93/05/52/671930552.db2.gz MAHLVCRPVWAAAA-UHFFFAOYSA-N -1 0 356.331 2.073 20 5 FEBDRM O=C(NC[C@H](CO)c1ccccc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000581746700 671933334 /nfs/dbraw/zinc/93/33/34/671933334.db2.gz COCLKCSEDCKRPA-LLVKDONJSA-N -1 0 350.758 2.460 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000126999525 672031364 /nfs/dbraw/zinc/03/13/64/672031364.db2.gz CEHZXFQREYHHPB-SNVBAGLBSA-N -1 0 352.343 2.343 20 5 FEBDRM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582788448 672034386 /nfs/dbraw/zinc/03/43/86/672034386.db2.gz YZICYZMXDQZVRI-MWLCHTKSSA-N -1 0 355.778 2.118 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000127513021 672038228 /nfs/dbraw/zinc/03/82/28/672038228.db2.gz WYJJXLAHDCOTDX-JTQLQIEISA-N -1 0 352.343 2.343 20 5 FEBDRM C[C@@H]1CC[C@](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])(CC(=O)[O-])C1 ZINC000583017824 672055348 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CC[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000592447097 672803652 /nfs/dbraw/zinc/80/36/52/672803652.db2.gz CWNPNFAYRSDIGW-AAEUAGOBSA-N -1 0 356.400 2.228 20 5 FEBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000612005052 676063822 /nfs/dbraw/zinc/06/38/22/676063822.db2.gz WLJIJIANAWXFNR-UHFFFAOYSA-N -1 0 370.314 2.027 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(c2nccs2)CC1 ZINC000592746934 672833607 /nfs/dbraw/zinc/83/36/07/672833607.db2.gz RRTTYKQCCQGXDL-UHFFFAOYSA-N -1 0 368.802 2.373 20 5 FEBDRM O=C(NCCCOC[C@@H]1CCOC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592770199 672835995 /nfs/dbraw/zinc/83/59/95/672835995.db2.gz WAUQGWDMJPZUGV-JTQLQIEISA-N -1 0 358.778 2.127 20 5 FEBDRM Cc1nc([N-]S(=O)(=O)c2cccc3c2OCCCO3)ccc1[N+](=O)[O-] ZINC000593278580 672901748 /nfs/dbraw/zinc/90/17/48/672901748.db2.gz SHOZVUXYFGEKGZ-UHFFFAOYSA-N -1 0 365.367 2.260 20 5 FEBDRM O=C([O-])c1cccc(S(=O)(=O)N(CC2CC2)CC2CC2)c1[N+](=O)[O-] ZINC000593310854 672907500 /nfs/dbraw/zinc/90/75/00/672907500.db2.gz QDJJQIAFHNPOSX-UHFFFAOYSA-N -1 0 354.384 2.104 20 5 FEBDRM COc1ccc(CSCC(=O)N[C@@H](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000262193540 672910487 /nfs/dbraw/zinc/91/04/87/672910487.db2.gz UWLQSLZGKLDACJ-JTQLQIEISA-N -1 0 356.400 2.206 20 5 FEBDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000262444449 672915914 /nfs/dbraw/zinc/91/59/14/672915914.db2.gz VDXJATHXGWWSIN-ZDUSSCGKSA-N -1 0 352.387 2.493 20 5 FEBDRM C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000263399618 672932268 /nfs/dbraw/zinc/93/22/68/672932268.db2.gz IOZNGPNCKOSCAP-NSHDSACASA-N -1 0 371.415 2.045 20 5 FEBDRM COC1(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])CCC1 ZINC000593700316 672980787 /nfs/dbraw/zinc/98/07/87/672980787.db2.gz RZHZOWUHBOJQQN-LBPRGKRZSA-N -1 0 356.762 2.390 20 5 FEBDRM COC1(C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C(=O)[O-])CCC1 ZINC000593701362 672980811 /nfs/dbraw/zinc/98/08/11/672980811.db2.gz 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374.415 2.250 20 5 FEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000734736319 673471411 /nfs/dbraw/zinc/47/14/11/673471411.db2.gz PRFMRBRZHPETHW-UHFFFAOYSA-N -1 0 368.342 2.170 20 5 FEBDRM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000735270727 673488555 /nfs/dbraw/zinc/48/85/55/673488555.db2.gz RYDLFCKSUKEIKZ-UHFFFAOYSA-N -1 0 365.367 2.252 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1 ZINC000737354220 673561068 /nfs/dbraw/zinc/56/10/68/673561068.db2.gz SQGIERSADYSIHT-NSHDSACASA-N -1 0 364.379 2.424 20 5 FEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000598660053 673595073 /nfs/dbraw/zinc/59/50/73/673595073.db2.gz MDGXQPOJAJYEDA-MNOVXSKESA-N -1 0 370.452 2.352 20 5 FEBDRM Cc1c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738261008 673613844 /nfs/dbraw/zinc/61/38/44/673613844.db2.gz MUZZXADSSYVJII-LBPRGKRZSA-N -1 0 353.331 2.349 20 5 FEBDRM 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673746024 /nfs/dbraw/zinc/74/60/24/673746024.db2.gz YFIAUCNQASRRJT-UHFFFAOYSA-N -1 0 364.379 2.206 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)c([N+](=O)[O-])c1 ZINC000743260352 673754116 /nfs/dbraw/zinc/75/41/16/673754116.db2.gz BMDDXACGBYYKNA-UHFFFAOYSA-N -1 0 357.275 2.149 20 5 FEBDRM Cc1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000600652939 673786217 /nfs/dbraw/zinc/78/62/17/673786217.db2.gz CHKIZJRWKUQMRN-UHFFFAOYSA-N -1 0 368.419 2.139 20 5 FEBDRM CO[C@H](CC(C)C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000600657440 673786770 /nfs/dbraw/zinc/78/67/70/673786770.db2.gz KFBZXLKWZYKVTN-GFCCVEGCSA-N -1 0 374.415 2.404 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000600666331 673789224 /nfs/dbraw/zinc/78/92/24/673789224.db2.gz QAULATZGZQEINN-HZSPNIEDSA-N -1 0 368.411 2.167 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000600666190 673789231 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C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000567898585 675334012 /nfs/dbraw/zinc/33/40/12/675334012.db2.gz WLODACCYKJEQHT-GXSJLCMTSA-N -1 0 355.778 2.229 20 5 FEBDRM CSc1ccc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cc1[N+](=O)[O-] ZINC000823349714 675546710 /nfs/dbraw/zinc/54/67/10/675546710.db2.gz RKWVOTJYDMZKHP-HNNXBMFYSA-N -1 0 354.384 2.070 20 5 FEBDRM O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000603555920 675799864 /nfs/dbraw/zinc/79/98/64/675799864.db2.gz SJYCZATXRJNZHC-GFCCVEGCSA-N -1 0 370.408 2.292 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)NCc2nc3ccccc3s2)ccc1[O-] ZINC000603777649 675801443 /nfs/dbraw/zinc/80/14/43/675801443.db2.gz NFJHCNLKHWZAPH-UHFFFAOYSA-N -1 0 365.392 2.389 20 5 FEBDRM CC(C)c1ccc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)cc1[N+](=O)[O-] ZINC000828189906 675804877 /nfs/dbraw/zinc/80/48/77/675804877.db2.gz RSUCJKOUMVWYST-KRWDZBQOSA-N -1 0 350.371 2.472 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)n1 ZINC000604471238 675805229 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0 367.383 2.437 20 5 FEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)/C=C/SC ZINC000839079002 680736302 /nfs/dbraw/zinc/73/63/02/680736302.db2.gz LHTZHHKXQCWTBB-VQHVLOKHSA-N -1 0 373.456 2.488 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CSCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000762069217 680739801 /nfs/dbraw/zinc/73/98/01/680739801.db2.gz NWSQSHAJDFFSGQ-UHFFFAOYSA-N -1 0 372.346 2.004 20 5 FEBDRM O=C(Cc1ccccc1Cl)NCCCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000748490971 679969109 /nfs/dbraw/zinc/96/91/09/679969109.db2.gz NNSDXHYAEPAPLU-UHFFFAOYSA-N -1 0 365.773 2.482 20 5 FEBDRM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000831877687 680056342 /nfs/dbraw/zinc/05/63/42/680056342.db2.gz OOEHCAUUNSBDQJ-JTQLQIEISA-N -1 0 352.771 2.233 20 5 FEBDRM CC[C@@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000835029277 680287561 /nfs/dbraw/zinc/28/75/61/680287561.db2.gz SCQCYMYPAUTDOO-QMMMGPOBSA-N -1 0 354.306 2.378 20 5 FEBDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-])c1 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Cc1sc(C(=O)NCc2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000738990863 600574992 /nfs/dbraw/zinc/57/49/92/600574992.db2.gz QWHCRXXRSKSMTE-UHFFFAOYSA-N -1 0 350.352 2.358 20 5 FEBDRM O=C([O-])Cc1ccccc1OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000739895033 600586266 /nfs/dbraw/zinc/58/62/66/600586266.db2.gz FPRABJLXGIIPRK-UHFFFAOYSA-N -1 0 351.336 2.131 20 5 FEBDRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000833234337 600796134 /nfs/dbraw/zinc/79/61/34/600796134.db2.gz RUBLKDKMSSWSRN-UHFFFAOYSA-N -1 0 353.281 2.318 20 5 FEBDRM O=C([O-])c1ccccc1C(=O)c1ccc(N2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000833333480 600813246 /nfs/dbraw/zinc/81/32/46/600813246.db2.gz QFDYZTQPXBLQQK-CYBMUJFWSA-N -1 0 370.361 2.485 20 5 FEBDRM O=C([O-])CSCCC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000739846192 600941119 /nfs/dbraw/zinc/94/11/19/600941119.db2.gz PSFDCVKSTDWCTN-CQSZACIVSA-N -1 0 356.425 2.377 20 5 FEBDRM Cc1ccccc1-c1cnc(Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)o1 ZINC000738750734 600985755 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O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccn2)c1 ZINC000577048188 671412732 /nfs/dbraw/zinc/41/27/32/671412732.db2.gz VRKNVFCICXLQIN-UHFFFAOYSA-N -1 0 359.367 2.035 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(O[C@@H]2CCOC2)CC1 ZINC000577954932 671630958 /nfs/dbraw/zinc/63/09/58/671630958.db2.gz WZNYSMMIZAXXGU-GFCCVEGCSA-N -1 0 370.789 2.364 20 5 FEBDRM CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578015252 671635025 /nfs/dbraw/zinc/63/50/25/671635025.db2.gz KZBJTRRXWFFGEB-NSHDSACASA-N -1 0 369.805 2.475 20 5 FEBDRM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609920989 675943279 /nfs/dbraw/zinc/94/32/79/675943279.db2.gz BIESDZXIXLPEGL-CYBMUJFWSA-N -1 0 358.745 2.281 20 5 FEBDRM COCc1ccccc1CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000580358251 671800116 /nfs/dbraw/zinc/80/01/16/671800116.db2.gz XPESEVGZEFUMCG-UHFFFAOYSA-N -1 0 351.384 2.387 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000581308223 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C[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583428186 672093698 /nfs/dbraw/zinc/09/36/98/672093698.db2.gz JWJHCRHJYQDGAS-SSDOTTSWSA-N -1 0 370.305 2.145 20 5 FEBDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000133973109 672117774 /nfs/dbraw/zinc/11/77/74/672117774.db2.gz MTWLLIOUPHIECO-JTQLQIEISA-N -1 0 367.358 2.128 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)nn2C)c([N+](=O)[O-])n1 ZINC000584132613 672159151 /nfs/dbraw/zinc/15/91/51/672159151.db2.gz LOTZRJJOJAWACX-UHFFFAOYSA-N -1 0 368.419 2.003 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000151431724 672163091 /nfs/dbraw/zinc/16/30/91/672163091.db2.gz NYGWVSSHPUGPBF-NSHDSACASA-N -1 0 368.436 2.449 20 5 FEBDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151441581 672163130 /nfs/dbraw/zinc/16/31/30/672163130.db2.gz YLASQVXTFDKASD-UHFFFAOYSA-N -1 0 362.407 2.134 20 5 FEBDRM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000584857877 672222783 /nfs/dbraw/zinc/22/27/83/672222783.db2.gz ABJQDAZDGMUWGR-CQSZACIVSA-N -1 0 368.342 2.228 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000585722748 672227454 /nfs/dbraw/zinc/22/74/54/672227454.db2.gz YBQLUSQRCMWLDS-UHFFFAOYSA-N -1 0 366.277 2.146 20 5 FEBDRM COCc1cnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000586755079 672240096 /nfs/dbraw/zinc/24/00/96/672240096.db2.gz YWXXJJPDXNPYJI-UHFFFAOYSA-N -1 0 359.385 2.007 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000172191291 672340024 /nfs/dbraw/zinc/34/00/24/672340024.db2.gz CGWUZHNAZPUUFC-UHFFFAOYSA-N -1 0 352.343 2.090 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c([N+](=O)[O-])n1 ZINC000611028808 676012899 /nfs/dbraw/zinc/01/28/99/676012899.db2.gz ZHIQAIZMRFMCFD-UHFFFAOYSA-N -1 0 351.344 2.062 20 5 FEBDRM O=C(Cn1ccc2ccccc21)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000194162120 672750202 /nfs/dbraw/zinc/75/02/02/672750202.db2.gz 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CC(C)[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594465493 673077591 /nfs/dbraw/zinc/07/75/91/673077591.db2.gz BKTRREOMFFKJAZ-ONGXEEELSA-N -1 0 358.778 2.489 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594472435 673079360 /nfs/dbraw/zinc/07/93/60/673079360.db2.gz BMMQXWPOXLRMFR-UONOGXRCSA-N -1 0 358.391 2.360 20 5 FEBDRM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1O ZINC000612997819 676105905 /nfs/dbraw/zinc/10/59/05/676105905.db2.gz GBMGHZUFGOFZIV-UHFFFAOYSA-N -1 0 366.351 2.416 20 5 FEBDRM C[C@@H](CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000594573022 673099131 /nfs/dbraw/zinc/09/91/31/673099131.db2.gz HFNBXIQWISRTBH-NSHDSACASA-N -1 0 356.400 2.106 20 5 FEBDRM C[C@@H](CC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000594574125 673100196 /nfs/dbraw/zinc/10/01/96/673100196.db2.gz WBORFVQODDOVIZ-LBPRGKRZSA-N -1 0 370.427 2.247 20 5 FEBDRM C[C@H](CC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000594574520 673100607 /nfs/dbraw/zinc/10/06/07/673100607.db2.gz ZZNSVDVWIPBPAR-GFCCVEGCSA-N -1 0 370.427 2.247 20 5 FEBDRM C[C@@H](C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000594574916 673100915 /nfs/dbraw/zinc/10/09/15/673100915.db2.gz WHRDGYZBLHHWRW-WDEREUQCSA-N -1 0 374.390 2.388 20 5 FEBDRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000594718730 673122231 /nfs/dbraw/zinc/12/22/31/673122231.db2.gz BODBDLDONWZHPP-ZNMIVQPWSA-N -1 0 368.411 2.249 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000594719926 673122705 /nfs/dbraw/zinc/12/27/05/673122705.db2.gz LHLDJWKJTWNXHM-LLVKDONJSA-N -1 0 374.390 2.362 20 5 FEBDRM CCN(CC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000594747275 673128021 /nfs/dbraw/zinc/12/80/21/673128021.db2.gz VCUWJNBWJHSVNI-UHFFFAOYSA-N -1 0 364.427 2.103 20 5 FEBDRM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594754648 673130605 /nfs/dbraw/zinc/13/06/05/673130605.db2.gz AXVLLIPQXSVNKH-UHFFFAOYSA-N -1 0 365.411 2.471 20 5 FEBDRM CC(C)C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594760508 673132656 /nfs/dbraw/zinc/13/26/56/673132656.db2.gz PLAINLGWLYBGHZ-LLVKDONJSA-N -1 0 373.431 2.025 20 5 FEBDRM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594790702 673143375 /nfs/dbraw/zinc/14/33/75/673143375.db2.gz FXBPZRRCGSGVDJ-ZDUSSCGKSA-N -1 0 353.375 2.429 20 5 FEBDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000731411707 673329916 /nfs/dbraw/zinc/32/99/16/673329916.db2.gz FRJMHUNVXMTROE-SSDOTTSWSA-N -1 0 352.821 2.052 20 5 FEBDRM Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c(Br)cc1[N+](=O)[O-] ZINC000595978724 673345364 /nfs/dbraw/zinc/34/53/64/673345364.db2.gz NUKVXUUSZDSSRE-KOLSJAJHSA-N -1 0 359.176 2.302 20 5 FEBDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)C(C)C ZINC000732618434 673375124 /nfs/dbraw/zinc/37/51/24/673375124.db2.gz 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C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000598748435 673606462 /nfs/dbraw/zinc/60/64/62/673606462.db2.gz KNZRFPVMITXROU-WUGBYWSNSA-N -1 0 360.819 2.373 20 5 FEBDRM CCCS(=O)(=O)[N-]C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000739209274 673629387 /nfs/dbraw/zinc/62/93/87/673629387.db2.gz SHBFHCLYSKJFKC-UHFFFAOYSA-N -1 0 370.305 2.006 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000614376913 676171996 /nfs/dbraw/zinc/17/19/96/676171996.db2.gz HTQDGVFQKBPMOW-LBPRGKRZSA-N -1 0 370.427 2.423 20 5 FEBDRM CCc1ccc(OS(=O)(=O)c2c[n-]c(C(=O)OC)c2)c([N+](=O)[O-])c1 ZINC000742298526 673719978 /nfs/dbraw/zinc/71/99/78/673719978.db2.gz LGJDJFUCNHEMNR-UHFFFAOYSA-N -1 0 354.340 2.040 20 5 FEBDRM CCOC(=O)c1csc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000544811321 673733870 /nfs/dbraw/zinc/73/38/70/673733870.db2.gz RDIQCCHUJOJALU-UHFFFAOYSA-N -1 0 371.396 2.170 20 5 FEBDRM Cc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC000544935993 673740388 /nfs/dbraw/zinc/74/03/88/673740388.db2.gz GSRGOKJGKIWUQS-UHFFFAOYSA-N -1 0 368.342 2.219 20 5 FEBDRM CN(Cc1cccc(F)c1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000544936843 673740392 /nfs/dbraw/zinc/74/03/92/673740392.db2.gz LNHMQAISWURWTG-UHFFFAOYSA-N -1 0 368.342 2.253 20 5 FEBDRM COCCOc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O ZINC000545833163 673776812 /nfs/dbraw/zinc/77/68/12/673776812.db2.gz RHWUHCFXDMBNPZ-UHFFFAOYSA-N -1 0 368.367 2.126 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)c1 ZINC000744128708 673782899 /nfs/dbraw/zinc/78/28/99/673782899.db2.gz MJRCHUMDGDDRKG-UHFFFAOYSA-N -1 0 355.759 2.070 20 5 FEBDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1C1CC1 ZINC000600650843 673785643 /nfs/dbraw/zinc/78/56/43/673785643.db2.gz DAUDUKYVJJBNHF-VIFPVBQESA-N -1 0 368.419 2.174 20 5 FEBDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600652437 673786193 /nfs/dbraw/zinc/78/61/93/673786193.db2.gz TXJJYCLPIHKGET-UHFFFAOYSA-N -1 0 358.351 2.055 20 5 FEBDRM CO[C@@H](CC(C)C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000600657441 673786813 /nfs/dbraw/zinc/78/68/13/673786813.db2.gz KFBZXLKWZYKVTN-LBPRGKRZSA-N -1 0 374.415 2.404 20 5 FEBDRM CCc1ccc(S(=O)(=O)[N-]c2cnc(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000600659827 673787499 /nfs/dbraw/zinc/78/74/99/673787499.db2.gz MINBCHGMGNFZHI-UHFFFAOYSA-N -1 0 367.383 2.370 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC(F)(F)CC1 ZINC000600665154 673789024 /nfs/dbraw/zinc/78/90/24/673789024.db2.gz NSIJMBIVEAUJSI-UHFFFAOYSA-N -1 0 364.326 2.103 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000600667399 673789472 /nfs/dbraw/zinc/78/94/72/673789472.db2.gz CFJWNUQLSIQGEX-UHFFFAOYSA-N -1 0 364.305 2.456 20 5 FEBDRM CCc1nc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(C)(C)C ZINC000600669046 673790063 /nfs/dbraw/zinc/79/00/63/673790063.db2.gz UFRXFIMBXSTEGF-UHFFFAOYSA-N -1 0 373.460 2.446 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000600668458 673790175 /nfs/dbraw/zinc/79/01/75/673790175.db2.gz WHVHEZWLAUTMMD-UHFFFAOYSA-N -1 0 350.356 2.072 20 5 FEBDRM Cc1c(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000744301345 673792163 /nfs/dbraw/zinc/79/21/63/673792163.db2.gz GJAKYPPALOIOKJ-UHFFFAOYSA-N -1 0 364.379 2.042 20 5 FEBDRM CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000600803021 673800122 /nfs/dbraw/zinc/80/01/22/673800122.db2.gz CAFRSHUDKVFSKJ-NSHDSACASA-N -1 0 355.778 2.085 20 5 FEBDRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)C1 ZINC000600868957 673804286 /nfs/dbraw/zinc/80/42/86/673804286.db2.gz GXBVTLCNZQDKJB-INIZCTEOSA-N -1 0 368.411 2.411 20 5 FEBDRM C[C@](NC(=O)CCC1CCOCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877118 673805241 /nfs/dbraw/zinc/80/52/41/673805241.db2.gz RRKWUGHFYQHVDN-QGZVFWFLSA-N -1 0 350.371 2.218 20 5 FEBDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000600876754 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C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826020162 601919361 /nfs/dbraw/zinc/91/93/61/601919361.db2.gz BOHYFQLXLZQZGS-PSLIRLAXSA-N -1 0 355.778 2.372 20 5 FEBDRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000827089229 601978584 /nfs/dbraw/zinc/97/85/84/601978584.db2.gz NICVVLUPHQLHFM-ZDUSSCGKSA-N -1 0 366.370 2.389 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000739001399 602009286 /nfs/dbraw/zinc/00/92/86/602009286.db2.gz KBJMZPZQYVOHMW-GXFFZTMASA-N -1 0 369.349 2.150 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000739005397 602014007 /nfs/dbraw/zinc/01/40/07/602014007.db2.gz OINLJSUMZSCJFM-TVQRCGJNSA-N -1 0 366.330 2.154 20 5 FEBDRM O=C([O-])c1cccc(NC(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000833111291 602015991 /nfs/dbraw/zinc/01/59/91/602015991.db2.gz JYUBZAHPYIHBLA-UHFFFAOYSA-N -1 0 362.269 2.228 20 5 FEBDRM O=C([O-])NCCc1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000740672743 602021215 /nfs/dbraw/zinc/02/12/15/602021215.db2.gz SJVUKKINKILBDO-UHFFFAOYSA-N -1 0 372.381 2.404 20 5 FEBDRM CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000739282838 602126806 /nfs/dbraw/zinc/12/68/06/602126806.db2.gz DWNYMCZRQQTBCK-QGZVFWFLSA-N -1 0 364.402 2.070 20 5 FEBDRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000828284821 602348594 /nfs/dbraw/zinc/34/85/94/602348594.db2.gz IHFMBINGYGHQPP-ABAIWWIYSA-N -1 0 358.354 2.213 20 5 FEBDRM CC1CCN(c2ccc(C(=O)NCCCNC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739106164 602350893 /nfs/dbraw/zinc/35/08/93/602350893.db2.gz AKUBSYAHSCRABO-UHFFFAOYSA-N -1 0 364.402 2.219 20 5 FEBDRM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000739092193 602428890 /nfs/dbraw/zinc/42/88/90/602428890.db2.gz CAROYJVBQXOQNZ-SJCJKPOMSA-N -1 0 365.386 2.306 20 5 FEBDRM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)COc1ccc([N+](=O)[O-])cc1 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/nfs/dbraw/zinc/53/99/72/602539972.db2.gz SMLFLWMPDMYHCS-LLVKDONJSA-N -1 0 361.358 2.077 20 5 FEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cccc(S(N)(=O)=O)c1 ZINC000558577854 674504465 /nfs/dbraw/zinc/50/44/65/674504465.db2.gz JGDCYWWSTAZYJW-VIFPVBQESA-N -1 0 365.367 2.114 20 5 FEBDRM COc1ccc(CC(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739894720 602636574 /nfs/dbraw/zinc/63/65/74/602636574.db2.gz MXOBLTVAYIBVKS-LBPRGKRZSA-N -1 0 365.386 2.042 20 5 FEBDRM CNc1ccc(C(=O)NCC[C@@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739755206 602642406 /nfs/dbraw/zinc/64/24/06/602642406.db2.gz HYIPCSUGRUDQHS-NSHDSACASA-N -1 0 350.375 2.146 20 5 FEBDRM O=C([O-])NCCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000740656114 602672227 /nfs/dbraw/zinc/67/22/27/602672227.db2.gz RVYLEAQDMUWLEI-UHFFFAOYSA-N -1 0 351.359 2.400 20 5 FEBDRM O=C([O-])NCc1cccc(OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000740675429 602728405 /nfs/dbraw/zinc/72/84/05/602728405.db2.gz AXUDBIZLQGJCAB-UHFFFAOYSA-N -1 0 374.305 2.353 20 5 FEBDRM O=C([O-])N1CCC[C@H](COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000740718301 602747475 /nfs/dbraw/zinc/74/74/75/602747475.db2.gz UHVUTFOXLIVWQQ-LBPRGKRZSA-N -1 0 374.353 2.327 20 5 FEBDRM C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)N1C(=O)[O-] ZINC000739134325 602762976 /nfs/dbraw/zinc/76/29/76/602762976.db2.gz MROAGBQPUXXPNJ-RYUDHWBXSA-N -1 0 360.370 2.149 20 5 FEBDRM CCOC(=O)c1ccnc(N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739477571 602780845 /nfs/dbraw/zinc/78/08/45/602780845.db2.gz FHEWOQYKUOUSAN-GHMZBOCLSA-N -1 0 366.374 2.357 20 5 FEBDRM C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H](C)N1C(=O)[O-] ZINC000739185980 602832930 /nfs/dbraw/zinc/83/29/30/602832930.db2.gz CKAMKJRMHQMKKW-GHMZBOCLSA-N -1 0 361.358 2.217 20 5 FEBDRM CCCc1n[nH]c(C(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)c1[N+](=O)[O-] ZINC000739376408 602836463 /nfs/dbraw/zinc/83/64/63/602836463.db2.gz PAVHAGKFPBAVOL-LBPRGKRZSA-N -1 0 367.406 2.217 20 5 FEBDRM COC(=O)c1cc(NC(=O)CCC(C)(C)NC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000739779442 602839413 /nfs/dbraw/zinc/83/94/13/602839413.db2.gz AEDCCIOOMAKOPR-UHFFFAOYSA-N -1 0 353.331 2.146 20 5 FEBDRM CC(C)(CCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)NC(=O)[O-] ZINC000738745760 602894053 /nfs/dbraw/zinc/89/40/53/602894053.db2.gz OXYPEDSKSUJIAI-UHFFFAOYSA-N -1 0 368.342 2.331 20 5 FEBDRM Cc1ccc(NCCCNC(=O)C[C@@H]2CCCN2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000830396073 602979750 /nfs/dbraw/zinc/97/97/50/602979750.db2.gz SZIVAEWURSASHE-ZDUSSCGKSA-N -1 0 364.402 2.354 20 5 FEBDRM CCN(CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000739405595 603007423 /nfs/dbraw/zinc/00/74/23/603007423.db2.gz XHMDEECKRDXHIW-UHFFFAOYSA-N -1 0 361.148 2.400 20 5 FEBDRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000739581154 603010836 /nfs/dbraw/zinc/01/08/36/603010836.db2.gz BSKGFFDELKZQIB-GFCCVEGCSA-N -1 0 355.778 2.392 20 5 FEBDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)C2 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/nfs/dbraw/zinc/29/38/13/603293813.db2.gz ISSBIWQMRGYSKJ-MRXNPFEDSA-N -1 0 353.375 2.406 20 5 FEBDRM COc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCN(C(=O)[O-])C2)cc1SC ZINC000739870875 603326164 /nfs/dbraw/zinc/32/61/64/603326164.db2.gz HPLHOLJSEXOREU-QMMMGPOBSA-N -1 0 356.356 2.234 20 5 FEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000740023919 603371869 /nfs/dbraw/zinc/37/18/69/603371869.db2.gz UMBVSBVZRDEQPI-CABZTGNLSA-N -1 0 353.400 2.435 20 5 FEBDRM CSc1ccc(C(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000740019974 603373356 /nfs/dbraw/zinc/37/33/56/603373356.db2.gz BMVUNGGMCUOYOK-ONGXEEELSA-N -1 0 353.400 2.435 20 5 FEBDRM O=C([O-])NC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000832406898 603393264 /nfs/dbraw/zinc/39/32/64/603393264.db2.gz CGDHVWRBFWMRJY-INIZCTEOSA-N -1 0 357.366 2.305 20 5 FEBDRM CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739479100 603406849 /nfs/dbraw/zinc/40/68/49/603406849.db2.gz 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367.383 2.198 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000592156358 672765178 /nfs/dbraw/zinc/76/51/78/672765178.db2.gz LILSVGIZCFCMGM-GARJFASQSA-N -1 0 354.384 2.068 20 5 FEBDRM CC[C@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000592449078 672804423 /nfs/dbraw/zinc/80/44/23/672804423.db2.gz QQQKEQQCEGRVKE-NWDGAFQWSA-N -1 0 356.400 2.228 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(c2nnc[nH]2)CC1 ZINC000592773082 672836506 /nfs/dbraw/zinc/83/65/06/672836506.db2.gz UYARFQOWVDHSIL-UHFFFAOYSA-N -1 0 351.750 2.092 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN2CC(F)(F)C[C@H]2C1 ZINC000592809823 672841577 /nfs/dbraw/zinc/84/15/77/672841577.db2.gz LVCWLUGUTDMHMO-VIFPVBQESA-N -1 0 361.732 2.119 20 5 FEBDRM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C[C@]2(CCOC2)O1 ZINC000592977142 672860391 /nfs/dbraw/zinc/86/03/91/672860391.db2.gz DNJRBAIWLKHADT-SJCJKPOMSA-N -1 0 350.371 2.376 20 5 FEBDRM 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C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000263092383 672927209 /nfs/dbraw/zinc/92/72/09/672927209.db2.gz IZEWZQCNOFEYPC-RKDXNWHRSA-N -1 0 362.791 2.122 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945341 673014530 /nfs/dbraw/zinc/01/45/30/673014530.db2.gz RHFYDWAEZZLEFE-KGYLQXTDSA-N -1 0 370.427 2.317 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C)[C@@H](CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000594671820 673111008 /nfs/dbraw/zinc/11/10/08/673111008.db2.gz BTXOUIXCMBLKNW-GWCFXTLKSA-N -1 0 370.427 2.333 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000594674250 673112169 /nfs/dbraw/zinc/11/21/69/673112169.db2.gz LARJZHVQDSTZCP-UHFFFAOYSA-N -1 0 358.416 2.279 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NCCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000594718754 673122340 /nfs/dbraw/zinc/12/23/40/673122340.db2.gz CGAGYACTPNOYEW-UHFFFAOYSA-N -1 0 374.415 2.085 20 5 FEBDRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000594721066 673123187 /nfs/dbraw/zinc/12/31/87/673123187.db2.gz UPCXFBXKKYVXRB-UPJWGTAASA-N -1 0 368.411 2.249 20 5 FEBDRM Cc1csc(CCCC[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])n1 ZINC000594752017 673129288 /nfs/dbraw/zinc/12/92/88/673129288.db2.gz GMSOOLLMPQVVLF-UHFFFAOYSA-N -1 0 356.429 2.056 20 5 FEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000594756229 673130918 /nfs/dbraw/zinc/13/09/18/673130918.db2.gz VBINRVYJZOEYCA-UHFFFAOYSA-N -1 0 351.359 2.139 20 5 FEBDRM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594784150 673141121 /nfs/dbraw/zinc/14/11/21/673141121.db2.gz NEVZKNJPMJMOKI-JSGCOSHPSA-N -1 0 363.395 2.080 20 5 FEBDRM CC[C@@H](OCC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000594794990 673145532 /nfs/dbraw/zinc/14/55/32/673145532.db2.gz NSDBXVISGNXTJU-OAHLLOKOSA-N -1 0 365.411 2.436 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](CO)C1CCC1 ZINC000594802597 673148297 /nfs/dbraw/zinc/14/82/97/673148297.db2.gz YELAHAQQVVBBJA-JTQLQIEISA-N -1 0 369.226 2.341 20 5 FEBDRM C[C@H](c1ccccc1)[C@@H](O)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000595381531 673238567 /nfs/dbraw/zinc/23/85/67/673238567.db2.gz OMKZEZWHGFOHJH-ABAIWWIYSA-N -1 0 368.386 2.177 20 5 FEBDRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000729901292 673252920 /nfs/dbraw/zinc/25/29/20/673252920.db2.gz SNTVCUVAHSFDIW-UHFFFAOYSA-N -1 0 357.432 2.472 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCOC1 ZINC000462556780 673262257 /nfs/dbraw/zinc/26/22/57/673262257.db2.gz YKWYWCRLIVTBKW-SSDOTTSWSA-N -1 0 355.199 2.216 20 5 FEBDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731547160 673333725 /nfs/dbraw/zinc/33/37/25/673333725.db2.gz RMSJIUDRJZWZOJ-UHFFFAOYSA-N -1 0 356.306 2.133 20 5 FEBDRM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613454291 676129869 /nfs/dbraw/zinc/12/98/69/676129869.db2.gz BBTDENLEPICWSN-UHFFFAOYSA-N -1 0 359.385 2.189 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)nn2C)cc1[N+](=O)[O-] ZINC000596046348 673353093 /nfs/dbraw/zinc/35/30/93/673353093.db2.gz QIJYQUAZJUHESH-UHFFFAOYSA-N -1 0 364.305 2.456 20 5 FEBDRM CN1Cc2ccccc2[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000536022071 673358813 /nfs/dbraw/zinc/35/88/13/673358813.db2.gz FQLMGHXNDKKUSH-CQSZACIVSA-N -1 0 365.386 2.199 20 5 FEBDRM O=C(CCCOc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000732620525 673375378 /nfs/dbraw/zinc/37/53/78/673375378.db2.gz RCTXNKJCVZRGOU-UHFFFAOYSA-N -1 0 370.408 2.320 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000538669095 673450432 /nfs/dbraw/zinc/45/04/32/673450432.db2.gz XWZPEQYJPSOKGP-SECBINFHSA-N -1 0 372.369 2.457 20 5 FEBDRM Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000737338544 673560285 /nfs/dbraw/zinc/56/02/85/673560285.db2.gz AIEMLCAASXAJPK-UHFFFAOYSA-N -1 0 355.759 2.070 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000598584770 673586544 /nfs/dbraw/zinc/58/65/44/673586544.db2.gz VGTUMOICGIJHER-LBPRGKRZSA-N -1 0 368.411 2.087 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598585417 673586863 /nfs/dbraw/zinc/58/68/63/673586863.db2.gz CYDWZQAPCIVFLM-JQWIXIFHSA-N -1 0 356.400 2.085 20 5 FEBDRM O=C([O-])CC1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000598659703 673595012 /nfs/dbraw/zinc/59/50/12/673595012.db2.gz HBNAECPOXQCWJT-UHFFFAOYSA-N -1 0 356.762 2.250 20 5 FEBDRM CCOCCn1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000598696573 673599399 /nfs/dbraw/zinc/59/93/99/673599399.db2.gz QEVCEVPASXTTNW-UHFFFAOYSA-N -1 0 354.750 2.439 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)c2ccccc2Cl)n1 ZINC000599237458 673646246 /nfs/dbraw/zinc/64/62/46/673646246.db2.gz UHUOZRACOPOPRR-UHFFFAOYSA-N -1 0 372.834 2.238 20 5 FEBDRM CCC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000599255941 673649448 /nfs/dbraw/zinc/64/94/48/673649448.db2.gz GBRDDJPHJLIEQL-LBPRGKRZSA-N -1 0 374.369 2.426 20 5 FEBDRM CC(=O)c1csc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000741110148 673670899 /nfs/dbraw/zinc/67/08/99/673670899.db2.gz MVOJUYCVDVRPSN-UHFFFAOYSA-N -1 0 368.392 2.119 20 5 FEBDRM O=C([O-])CC[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000614376932 676172173 /nfs/dbraw/zinc/17/21/73/676172173.db2.gz ZMOPVNGGVIAAPA-GFCCVEGCSA-N -1 0 356.400 2.001 20 5 FEBDRM O=C([O-])CC[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000614376922 676172196 /nfs/dbraw/zinc/17/21/96/676172196.db2.gz OAYNENCXVQQMEO-ZDUSSCGKSA-N -1 0 370.427 2.044 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC[C@H]2CC[C@H](C)O2)cc([N+](=O)[O-])c1C ZINC000744008184 673778782 /nfs/dbraw/zinc/77/87/82/673778782.db2.gz YPRIFHWRHBLISD-WCQYABFASA-N -1 0 370.427 2.364 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000744073489 673781000 /nfs/dbraw/zinc/78/10/00/673781000.db2.gz HODBQRIBNLRJMQ-QMMMGPOBSA-N -1 0 358.759 2.450 20 5 FEBDRM Cc1sc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000600657186 673786756 /nfs/dbraw/zinc/78/67/56/673786756.db2.gz DIQLJOKYQMBTPX-VHSXEESVSA-N -1 0 362.429 2.277 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)n1 ZINC000600664277 673788788 /nfs/dbraw/zinc/78/87/88/673788788.db2.gz QNWAZANWMFNQEW-UHFFFAOYSA-N -1 0 366.399 2.023 20 5 FEBDRM CC1(C)CCC[C@](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC000600665432 673789280 /nfs/dbraw/zinc/78/92/80/673789280.db2.gz QZEFKOLKHSDNTO-MRXNPFEDSA-N -1 0 370.427 2.438 20 5 FEBDRM Cc1ccc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCOCC2)cc1[N+](=O)[O-] ZINC000600867521 673804054 /nfs/dbraw/zinc/80/40/54/673804054.db2.gz AWCRJZUSUYWPJE-GFCCVEGCSA-N -1 0 350.371 2.352 20 5 FEBDRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000600875742 673804857 /nfs/dbraw/zinc/80/48/57/673804857.db2.gz MJYVZSMGDDHOLA-DIFFPNOSSA-N -1 0 350.371 2.074 20 5 FEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000600878526 673805154 /nfs/dbraw/zinc/80/51/54/673805154.db2.gz WZZVFGJMZWHSNY-OCCSQVGLSA-N -1 0 350.371 2.211 20 5 FEBDRM O=C([O-])c1c(NS(=O)(=O)c2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000547891684 673898693 /nfs/dbraw/zinc/89/86/93/673898693.db2.gz VREHKWQXEHGKCH-UHFFFAOYSA-N -1 0 364.335 2.124 20 5 FEBDRM Cc1noc(C(F)F)c1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000747118802 673907796 /nfs/dbraw/zinc/90/77/96/673907796.db2.gz PYXURLGNMZWBTN-UHFFFAOYSA-N -1 0 367.311 2.009 20 5 FEBDRM CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000747219946 673913014 /nfs/dbraw/zinc/91/30/14/673913014.db2.gz AGSMNRIXEQXSKP-SECBINFHSA-N -1 0 352.821 2.195 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC1CCCC1)C(=O)[O-] ZINC000548220543 673937064 /nfs/dbraw/zinc/93/70/64/673937064.db2.gz DYGJRHGDMWBLCD-ZDUSSCGKSA-N -1 0 356.400 2.215 20 5 FEBDRM C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000548252197 673942901 /nfs/dbraw/zinc/94/29/01/673942901.db2.gz YXXVPOCTVSZIBI-KCJUWKMLSA-N -1 0 362.791 2.122 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000548264297 673944928 /nfs/dbraw/zinc/94/49/28/673944928.db2.gz KQXGPBMDEREVHS-ZDUSSCGKSA-N -1 0 358.416 2.325 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000548576753 673975230 /nfs/dbraw/zinc/97/52/30/673975230.db2.gz HTPMANITNCKJFO-CQSZACIVSA-N -1 0 368.342 2.147 20 5 FEBDRM Cc1sc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000548578732 673975481 /nfs/dbraw/zinc/97/54/81/673975481.db2.gz ABOBZZXTUHPZQK-GFCCVEGCSA-N -1 0 374.371 2.208 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000548593847 673977820 /nfs/dbraw/zinc/97/78/20/673977820.db2.gz UWNPXWBORPZSCJ-BXUZGUMPSA-N -1 0 358.416 2.294 20 5 FEBDRM C[C@@H]([C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-])C1CC1 ZINC000548862700 674002157 /nfs/dbraw/zinc/00/21/57/674002157.db2.gz YEBQSZYCKRMJFK-KRTXAFLBSA-N -1 0 362.791 2.026 20 5 FEBDRM CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000566283521 675200807 /nfs/dbraw/zinc/20/08/07/675200807.db2.gz NPTZNQWKKSGNHF-MEDUHNTESA-N -1 0 370.789 2.364 20 5 FEBDRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C(=O)[O-])C1 ZINC000566484402 675217978 /nfs/dbraw/zinc/21/79/78/675217978.db2.gz SIWLBXRFTAXQLV-LALPHHSUSA-N -1 0 350.371 2.291 20 5 FEBDRM CC(C)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CCS1 ZINC000567794313 675323562 /nfs/dbraw/zinc/32/35/62/675323562.db2.gz UBGKCPDUTVQYTG-LBPRGKRZSA-N -1 0 374.440 2.055 20 5 FEBDRM CCC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000567794153 675323627 /nfs/dbraw/zinc/32/36/27/675323627.db2.gz ONPCHSHDGSUCQS-NSHDSACASA-N -1 0 356.400 2.494 20 5 FEBDRM Cc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000603552473 675799892 /nfs/dbraw/zinc/79/98/92/675799892.db2.gz KGTWTPRXPDQEHS-ZDUSSCGKSA-N -1 0 364.379 2.398 20 5 FEBDRM CC(C)(C)SCCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000828949730 675854632 /nfs/dbraw/zinc/85/46/32/675854632.db2.gz LWZSWLYTKWPFGN-UHFFFAOYSA-N -1 0 362.429 2.103 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000619468175 676378378 /nfs/dbraw/zinc/37/83/78/676378378.db2.gz CHWVXRSGMQQAPG-UHFFFAOYSA-N -1 0 350.352 2.339 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(-c2ccco2)o1 ZINC000619507790 676382731 /nfs/dbraw/zinc/38/27/31/676382731.db2.gz RXUDYSAYBCKCCR-UHFFFAOYSA-N -1 0 366.311 2.047 20 5 FEBDRM C[C@@H](O)CCCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000830767736 677059691 /nfs/dbraw/zinc/05/96/91/677059691.db2.gz FYRDEYYLIZIMGQ-SECBINFHSA-N -1 0 368.777 2.030 20 5 FEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000830800959 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352.409 2.164 20 5 FEBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000268740015 550111350 /nfs/dbraw/zinc/11/13/50/550111350.db2.gz QISGOTXOGRZOJR-LBPRGKRZSA-N -1 0 365.386 2.382 20 5 FEBDRM Cc1ccc([C@H](O)CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000269715031 550219581 /nfs/dbraw/zinc/21/95/81/550219581.db2.gz AMDZFRLZAXMMHR-CYBMUJFWSA-N -1 0 354.384 2.125 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2c3c(nn2C)CCC3)c1[N+](=O)[O-] ZINC000277264085 550649389 /nfs/dbraw/zinc/64/93/89/550649389.db2.gz NQHMTQIRWHAGRX-UHFFFAOYSA-N -1 0 350.400 2.235 20 5 FEBDRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000282116593 551182778 /nfs/dbraw/zinc/18/27/78/551182778.db2.gz AWEVUZHIRTWCNN-ZETCQYMHSA-N -1 0 353.194 2.134 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000282313546 551210193 /nfs/dbraw/zinc/21/01/93/551210193.db2.gz NQLCBGWZUQQGIF-IUCAKERBSA-N -1 0 362.791 2.040 20 5 FEBDRM Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282803889 551272329 /nfs/dbraw/zinc/27/23/29/551272329.db2.gz RVQFWTVWYOJIJI-GFCCVEGCSA-N -1 0 370.818 2.338 20 5 FEBDRM O=C(CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000497737502 561507606 /nfs/dbraw/zinc/50/76/06/561507606.db2.gz VOMHGJOCTHHFII-UHFFFAOYSA-N -1 0 369.377 2.400 20 5 FEBDRM CC(=O)NCCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000283604331 551395471 /nfs/dbraw/zinc/39/54/71/551395471.db2.gz QPUREFISLHULET-UHFFFAOYSA-N -1 0 363.395 2.140 20 5 FEBDRM CC(=O)NCc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000497955085 561512413 /nfs/dbraw/zinc/51/24/13/561512413.db2.gz GKTZXGHNHMGKLH-UHFFFAOYSA-N -1 0 367.358 2.171 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2nncn2C)C(C)C)cc1C ZINC000285355057 551742892 /nfs/dbraw/zinc/74/28/92/551742892.db2.gz QGFWCSVPEGECML-CQSZACIVSA-N -1 0 367.431 2.016 20 5 FEBDRM Cc1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)sc1C(=O)[O-] ZINC000498962491 561539563 /nfs/dbraw/zinc/53/95/63/561539563.db2.gz ZNMSEIQGSQTZNE-SSDOTTSWSA-N -1 0 350.356 2.131 20 5 FEBDRM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000287529969 552015806 /nfs/dbraw/zinc/01/58/06/552015806.db2.gz MZXVIDUILAREHI-NEPJUHHUSA-N -1 0 356.400 2.085 20 5 FEBDRM CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000287529976 552015828 /nfs/dbraw/zinc/01/58/28/552015828.db2.gz MZXVIDUILAREHI-RYUDHWBXSA-N -1 0 356.400 2.085 20 5 FEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC000500308412 561569956 /nfs/dbraw/zinc/56/99/56/561569956.db2.gz WTEMDELNIPTBPH-UHFFFAOYSA-N -1 0 359.367 2.035 20 5 FEBDRM O=C([N-]C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000290522588 552492307 /nfs/dbraw/zinc/49/23/07/552492307.db2.gz ZRKDSMDEZPQZPL-MRVPVSSYSA-N -1 0 365.333 2.187 20 5 FEBDRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[N-]OC/C=C/Cl)ccc1[N+](=O)[O-] ZINC000291852292 552668408 /nfs/dbraw/zinc/66/84/08/552668408.db2.gz 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-1 0 374.305 2.082 20 5 FEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000532256648 562471691 /nfs/dbraw/zinc/47/16/91/562471691.db2.gz XROYQCILRBHLNE-GFCCVEGCSA-N -1 0 361.354 2.172 20 5 FEBDRM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000532597887 562482901 /nfs/dbraw/zinc/48/29/01/562482901.db2.gz HBLGGDSDPCMZIR-GFCCVEGCSA-N -1 0 361.354 2.172 20 5 FEBDRM CCCOc1cccc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])c1 ZINC000535991585 562571618 /nfs/dbraw/zinc/57/16/18/562571618.db2.gz ODIDLSAZIJHSGZ-UHFFFAOYSA-N -1 0 354.388 2.401 20 5 FEBDRM Cn1ccc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1=O ZINC000556351986 674398338 /nfs/dbraw/zinc/39/83/38/674398338.db2.gz VTUUJIMEDPXWEF-UHFFFAOYSA-N -1 0 359.363 2.248 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cn(C)nc1C(F)(F)F ZINC000584689339 568273993 /nfs/dbraw/zinc/27/39/93/568273993.db2.gz JBONVTJRCKWZDH-UHFFFAOYSA-N -1 0 364.305 2.456 20 5 FEBDRM C/C=C\C[C@@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000570003597 568448611 /nfs/dbraw/zinc/44/86/11/568448611.db2.gz PORFYMQRNDZPFD-VSQXVHSFSA-N -1 0 368.411 2.372 20 5 FEBDRM COc1cccc(S([O-])=CC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000570202922 568461073 /nfs/dbraw/zinc/46/10/73/568461073.db2.gz UTWJRIFNOXFDTE-SANMLTNESA-N -1 0 374.418 2.296 20 5 FEBDRM COc1cccc(N2CCCN(c3ccc(C(=O)[O-])cn3)CC2)c1[N+](=O)[O-] ZINC000570214867 568462336 /nfs/dbraw/zinc/46/23/36/568462336.db2.gz AOXVBLVQTGICQO-UHFFFAOYSA-N -1 0 372.381 2.413 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccccc2N2CCOCC2)n1 ZINC000570216766 568462481 /nfs/dbraw/zinc/46/24/81/568462481.db2.gz WHLNGWABJGWHID-UHFFFAOYSA-N -1 0 358.354 2.137 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C1CCC1 ZINC000570512791 568483514 /nfs/dbraw/zinc/48/35/14/568483514.db2.gz QMQBAKOHEQJAQD-ZDUSSCGKSA-N -1 0 354.384 2.246 20 5 FEBDRM Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570573577 568489465 /nfs/dbraw/zinc/48/94/65/568489465.db2.gz UOUIEVUZFIZYCX-UHFFFAOYSA-N -1 0 371.275 2.232 20 5 FEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000821392109 598159498 /nfs/dbraw/zinc/15/94/98/598159498.db2.gz GJRYRGNHVGWPTL-UHFFFAOYSA-N -1 0 362.269 2.228 20 5 FEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000737376849 599806538 /nfs/dbraw/zinc/80/65/38/599806538.db2.gz YLFCDXCODQVZCG-HNNXBMFYSA-N -1 0 357.366 2.087 20 5 FEBDRM Nc1nc(Oc2ccc(C(=O)[O-])cc2Br)ncc1[N+](=O)[O-] ZINC000739203045 599808838 /nfs/dbraw/zinc/80/88/38/599808838.db2.gz MUFXIZRTKHJFCQ-UHFFFAOYSA-N -1 0 355.104 2.220 20 5 FEBDRM CN(CCCC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)[O-] ZINC000737438401 599872893 /nfs/dbraw/zinc/87/28/93/599872893.db2.gz OSMPNYIIKJBAJV-UHFFFAOYSA-N -1 0 364.314 2.078 20 5 FEBDRM Cc1c(NC(=O)[C@H](C)OC(=O)CCCN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738298423 599874703 /nfs/dbraw/zinc/87/47/03/599874703.db2.gz CQFHDKFIBHWRKO-NSHDSACASA-N -1 0 367.358 2.163 20 5 FEBDRM COc1cc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000538582981 599902018 /nfs/dbraw/zinc/90/20/18/599902018.db2.gz CNIHBQURFJFNPV-UHFFFAOYSA-N -1 0 360.322 2.110 20 5 FEBDRM C[C@@H](CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736576814 599940609 /nfs/dbraw/zinc/94/06/09/599940609.db2.gz LXDMNYMXPZJQFZ-QMMMGPOBSA-N -1 0 362.791 2.122 20 5 FEBDRM O=C([O-])c1ccc2c(c1)CN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000740201910 600014516 /nfs/dbraw/zinc/01/45/16/600014516.db2.gz AUPAXKYHHGEXOY-KRWDZBQOSA-N -1 0 367.361 2.414 20 5 FEBDRM CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000736475146 600060921 /nfs/dbraw/zinc/06/09/21/600060921.db2.gz RKGQCVGZBNGCSG-STQMWFEESA-N -1 0 374.353 2.103 20 5 FEBDRM Cc1oc(COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1C(=O)[O-] ZINC000738982412 600064224 /nfs/dbraw/zinc/06/42/24/600064224.db2.gz OATUECOFTYGLNZ-UHFFFAOYSA-N -1 0 363.278 2.323 20 5 FEBDRM Cc1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000738448191 600169324 /nfs/dbraw/zinc/16/93/24/600169324.db2.gz DOMZPNYXHPVGIY-UHFFFAOYSA-N -1 0 355.310 2.368 20 5 FEBDRM Cc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c(C(=O)[O-])[nH]1 ZINC000738453839 600170030 /nfs/dbraw/zinc/17/00/30/600170030.db2.gz WHKUAZJRNFKRMQ-UHFFFAOYSA-N -1 0 355.310 2.368 20 5 FEBDRM Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(C(=O)[O-])[nH]1 ZINC000738453182 600170034 /nfs/dbraw/zinc/17/00/34/600170034.db2.gz FKXPQWHJVJDKAO-UHFFFAOYSA-N -1 0 355.310 2.368 20 5 FEBDRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000738683452 600188837 /nfs/dbraw/zinc/18/88/37/600188837.db2.gz MXCLRNYKUDZGFW-LBPRGKRZSA-N -1 0 373.321 2.129 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738068029 600189030 /nfs/dbraw/zinc/18/90/30/600189030.db2.gz DOFBYVJZRBWHTO-UHFFFAOYSA-N -1 0 361.266 2.462 20 5 FEBDRM C=C1c2ccccc2C(=O)N1CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736097035 600190802 /nfs/dbraw/zinc/19/08/02/600190802.db2.gz KPQDLRNGWNRLBQ-UHFFFAOYSA-N -1 0 367.317 2.358 20 5 FEBDRM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736237805 600190948 /nfs/dbraw/zinc/19/09/48/600190948.db2.gz FCVUPEMJGCHEPG-ZDUSSCGKSA-N -1 0 363.370 2.269 20 5 FEBDRM O=C([O-])[C@H]1CC12CCN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000593747146 600298182 /nfs/dbraw/zinc/29/81/82/600298182.db2.gz UCEVVEKCACSQOM-CYBMUJFWSA-N -1 0 358.354 2.332 20 5 FEBDRM CC(=O)c1[nH]c(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])c(C(=O)[O-])c1C ZINC000736180059 600380260 /nfs/dbraw/zinc/38/02/60/600380260.db2.gz GNITVUWXTDOVBL-UHFFFAOYSA-N -1 0 371.349 2.264 20 5 FEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCN(CC(F)(F)F)C2=O)c([N+](=O)[O-])c1 ZINC000739622935 600433548 /nfs/dbraw/zinc/43/35/48/600433548.db2.gz DFSLUPNSUQLSSV-MORRKMRCSA-N -1 0 373.287 2.268 20 5 FEBDRM Cc1ccc2nc(COc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc(=O)n2c1 ZINC000738676632 600442451 /nfs/dbraw/zinc/44/24/51/600442451.db2.gz GSDUTRVMOBQOBL-UHFFFAOYSA-N -1 0 355.306 2.188 20 5 FEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739717276 600490894 /nfs/dbraw/zinc/49/08/94/600490894.db2.gz QNKVVTDWOLTJKV-NSHDSACASA-N -1 0 356.762 2.344 20 5 FEBDRM C[C@@H](NC(=O)c1cccs1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736661547 600543522 /nfs/dbraw/zinc/54/35/22/600543522.db2.gz WZHNQROKWRJKKN-MRVPVSSYSA-N -1 0 363.351 2.112 20 5 FEBDRM COc1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000738069506 600580228 /nfs/dbraw/zinc/58/02/28/600580228.db2.gz CPUXVNJUKQGDIN-UHFFFAOYSA-N -1 0 367.335 2.378 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000738665147 600585927 /nfs/dbraw/zinc/58/59/27/600585927.db2.gz RRHHQGHAHPMATG-CYBMUJFWSA-N -1 0 358.350 2.282 20 5 FEBDRM Cc1cc(S(=O)(=O)Oc2ccccc2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000738478453 600587030 /nfs/dbraw/zinc/58/70/30/600587030.db2.gz SXFODEJYGBPCAH-UHFFFAOYSA-N -1 0 351.336 2.298 20 5 FEBDRM CO[C@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000737732858 600638170 /nfs/dbraw/zinc/63/81/70/600638170.db2.gz GMIWNGVYJBWGFY-MRVPVSSYSA-N -1 0 353.209 2.190 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000832958193 600707549 /nfs/dbraw/zinc/70/75/49/600707549.db2.gz PSZHUSWRQGDASO-UHFFFAOYSA-N -1 0 358.306 2.397 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000833302578 600755569 /nfs/dbraw/zinc/75/55/69/600755569.db2.gz QCEYUBCTBKCFRI-UHFFFAOYSA-N -1 0 354.365 2.106 20 5 FEBDRM Cc1nn(Cc2ccc(C(=O)NC(C)(C)CC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000738927266 600776394 /nfs/dbraw/zinc/77/63/94/600776394.db2.gz JIZNUNZELOPXRF-UHFFFAOYSA-N -1 0 374.397 2.440 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000832097478 600777781 /nfs/dbraw/zinc/77/77/81/600777781.db2.gz BFBXYKLHSJHWDU-UHFFFAOYSA-N -1 0 367.335 2.378 20 5 FEBDRM CNC(=O)c1cc(C)ccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737543907 600784007 /nfs/dbraw/zinc/78/40/07/600784007.db2.gz VQHHSFIPGYVZJV-UHFFFAOYSA-N -1 0 357.322 2.213 20 5 FEBDRM CCC1(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000829065443 600804506 /nfs/dbraw/zinc/80/45/06/600804506.db2.gz FNOYGTVXDANFEC-UHFFFAOYSA-N -1 0 365.386 2.028 20 5 FEBDRM COC(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000831428890 600946888 /nfs/dbraw/zinc/94/68/88/600946888.db2.gz XHXSHYLJQJBSFJ-UHFFFAOYSA-N -1 0 374.305 2.341 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCC(=O)Nc2cccc(Cl)c2)c1 ZINC000739268646 600984904 /nfs/dbraw/zinc/98/49/04/600984904.db2.gz PXIXEUKXQXOPKA-UHFFFAOYSA-N -1 0 365.729 2.137 20 5 FEBDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000610841489 601008090 /nfs/dbraw/zinc/00/80/90/601008090.db2.gz PBKUYAVTAIWFET-MRXNPFEDSA-N -1 0 358.350 2.478 20 5 FEBDRM CCNc1ccc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1[N+](=O)[O-] ZINC000737129742 601013994 /nfs/dbraw/zinc/01/39/94/601013994.db2.gz PWKBVEWHMUYWQO-UHFFFAOYSA-N -1 0 358.354 2.461 20 5 FEBDRM COc1ccc(OCCOC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832444232 601176290 /nfs/dbraw/zinc/17/62/90/601176290.db2.gz IAYZSWHBJDLNFL-NWDGAFQWSA-N -1 0 367.354 2.416 20 5 FEBDRM COCCn1nc(C)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC000831807231 601208944 /nfs/dbraw/zinc/20/89/44/601208944.db2.gz HHFOFHMDBOIXGU-UHFFFAOYSA-N -1 0 362.342 2.005 20 5 FEBDRM C[C@H](Sc1ccccc1C(=O)OCCn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000827921902 601403195 /nfs/dbraw/zinc/40/31/95/601403195.db2.gz KQPRAISKNABKMD-JTQLQIEISA-N -1 0 365.367 2.214 20 5 FEBDRM Cc1c(C(=O)NC2(CC(=O)[O-])CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832849450 601452798 /nfs/dbraw/zinc/45/27/98/601452798.db2.gz DEHPRXCACYSXQZ-UHFFFAOYSA-N -1 0 351.315 2.247 20 5 FEBDRM CC[C@H](C)[C@H](NC(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000828730813 601474056 /nfs/dbraw/zinc/47/40/56/601474056.db2.gz WEKDCIJIUXABST-UFBFGSQYSA-N -1 0 372.761 2.021 20 5 FEBDRM CCCCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(=O)[O-] ZINC000829326122 601642021 /nfs/dbraw/zinc/64/20/21/601642021.db2.gz FDGGWESQSFSUDN-LBPRGKRZSA-N -1 0 352.343 2.129 20 5 FEBDRM O=C([O-])[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1F ZINC000833115311 601744449 /nfs/dbraw/zinc/74/44/49/601744449.db2.gz KUJGNYDJZGXFFA-OAHLLOKOSA-N -1 0 366.276 2.194 20 5 FEBDRM O=C([O-])c1cc(F)ccc1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000833299386 601982551 /nfs/dbraw/zinc/98/25/51/601982551.db2.gz PLUZWRXWQVUTPM-UHFFFAOYSA-N -1 0 371.118 2.405 20 5 FEBDRM O=C([O-])[C@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000548591335 601992274 /nfs/dbraw/zinc/99/22/74/601992274.db2.gz GIUKBGLWIQIHRE-KBPBESRZSA-N -1 0 356.400 2.297 20 5 FEBDRM O=C([O-])c1ccncc1OS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000833335142 601998705 /nfs/dbraw/zinc/99/87/05/601998705.db2.gz 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Cc1cc(N2CCC[C@@H](C(=O)N3CCCC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832889905 602318169 /nfs/dbraw/zinc/31/81/69/602318169.db2.gz BAHHLBJEYHGYLG-CYBMUJFWSA-N -1 0 361.398 2.440 20 5 FEBDRM O=C([O-])c1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1F ZINC000767200616 602357471 /nfs/dbraw/zinc/35/74/71/602357471.db2.gz DTIZINSLQCZMKM-UHFFFAOYSA-N -1 0 371.284 2.265 20 5 FEBDRM O=C([O-])NC[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000740630186 602374160 /nfs/dbraw/zinc/37/41/60/602374160.db2.gz HLFDLOSPAPAJBE-CYBMUJFWSA-N -1 0 359.386 2.395 20 5 FEBDRM CC(C)(NC(=O)[O-])c1noc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)n1 ZINC000738757737 602447468 /nfs/dbraw/zinc/44/74/68/602447468.db2.gz NBLRYRPRTIAZOW-UHFFFAOYSA-N -1 0 372.341 2.392 20 5 FEBDRM CCCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352984 602519414 /nfs/dbraw/zinc/51/94/14/602519414.db2.gz YBZGFXFAOFFKLF-CYBMUJFWSA-N -1 0 365.386 2.137 20 5 FEBDRM CCCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353041 602622542 /nfs/dbraw/zinc/62/25/42/602622542.db2.gz RCJZJECGAUDRSA-OAHLLOKOSA-N -1 0 364.402 2.311 20 5 FEBDRM O=C([O-])N1CCC[C@H](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000740447017 602651534 /nfs/dbraw/zinc/65/15/34/602651534.db2.gz ICCQOQBLOHHIQN-CQSZACIVSA-N -1 0 364.402 2.217 20 5 FEBDRM C[C@@H](NC(=O)[O-])C1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000739016795 602686492 /nfs/dbraw/zinc/68/64/92/602686492.db2.gz LSJXLMDXJQDKRB-SECBINFHSA-N -1 0 361.358 2.116 20 5 FEBDRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000740620847 602773503 /nfs/dbraw/zinc/77/35/03/602773503.db2.gz KLZDWSKIRIJVPC-ZWNOBZJWSA-N -1 0 355.778 2.343 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])c1 ZINC000739934272 602812171 /nfs/dbraw/zinc/81/21/71/602812171.db2.gz VJBZEPHXSDWOGA-ZWNOBZJWSA-N -1 0 351.359 2.254 20 5 FEBDRM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 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O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000832515187 603699658 /nfs/dbraw/zinc/69/96/58/603699658.db2.gz PSPRGXDOZXDNRP-YPMHNXCESA-N -1 0 350.375 2.220 20 5 FEBDRM Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000830256206 603702130 /nfs/dbraw/zinc/70/21/30/603702130.db2.gz HOFLMAYBGPWPHV-RYUDHWBXSA-N -1 0 350.375 2.358 20 5 FEBDRM COC1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCN(C(=O)[O-])CC1 ZINC000828855379 603716353 /nfs/dbraw/zinc/71/63/53/603716353.db2.gz ASDNPFBZERHRDZ-UHFFFAOYSA-N -1 0 371.777 2.023 20 5 FEBDRM O=C([O-])N[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000832135363 603727802 /nfs/dbraw/zinc/72/78/02/603727802.db2.gz LOBCZWLDOYAHRF-HNNXBMFYSA-N -1 0 358.354 2.403 20 5 FEBDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)OCCOc2ccccc2[N+](=O)[O-])C1 ZINC000832332823 603870061 /nfs/dbraw/zinc/87/00/61/603870061.db2.gz OKZLYNVBPLQZHE-VXGBXAGGSA-N -1 0 352.343 2.343 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 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672661228 /nfs/dbraw/zinc/66/12/28/672661228.db2.gz ZIWAVCIYEPIAPL-SSDOTTSWSA-N -1 0 370.305 2.003 20 5 FEBDRM CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611559390 676044421 /nfs/dbraw/zinc/04/44/21/676044421.db2.gz RIVYDJZFHAQVRY-GFCCVEGCSA-N -1 0 350.371 2.496 20 5 FEBDRM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000194137968 672748687 /nfs/dbraw/zinc/74/86/87/672748687.db2.gz QQWIGKSJGWGAGZ-UHFFFAOYSA-N -1 0 367.358 2.237 20 5 FEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1-n1ccnn1 ZINC000194193509 672751799 /nfs/dbraw/zinc/75/17/99/672751799.db2.gz YOJJFGSRMXDZIQ-UHFFFAOYSA-N -1 0 363.330 2.115 20 5 FEBDRM CC(C)CS(=O)(=O)[N-]C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000194588079 672763676 /nfs/dbraw/zinc/76/36/76/672763676.db2.gz CLSRFOFMWKCMJI-UHFFFAOYSA-N -1 0 369.424 2.434 20 5 FEBDRM Cc1c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)coc1C(=O)N(C)C ZINC000592382172 672795344 /nfs/dbraw/zinc/79/53/44/672795344.db2.gz 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O=C([O-])[C@H]1CCCCCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548265342 673945403 /nfs/dbraw/zinc/94/54/03/673945403.db2.gz ALYAGBNDHIRWOD-GJZGRUSLSA-N -1 0 370.427 2.438 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-] ZINC000548619692 673980417 /nfs/dbraw/zinc/98/04/17/673980417.db2.gz DNYYJASCQBPSIK-SNVBAGLBSA-N -1 0 358.416 2.325 20 5 FEBDRM C[C@H]([C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-])C1CC1 ZINC000548862699 674001998 /nfs/dbraw/zinc/00/19/98/674001998.db2.gz YEBQSZYCKRMJFK-JVXZTZIISA-N -1 0 362.791 2.026 20 5 FEBDRM CC(C)(CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000818431210 675219179 /nfs/dbraw/zinc/21/91/79/675219179.db2.gz PWEVUZOBODUHDF-UHFFFAOYSA-N -1 0 368.770 2.167 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1[N+](=O)[O-] ZINC000566918152 675253109 /nfs/dbraw/zinc/25/31/09/675253109.db2.gz JEVHHBDBSJDCFK-UHFFFAOYSA-N -1 0 354.384 2.462 20 5 FEBDRM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000819089977 675259687 /nfs/dbraw/zinc/25/96/87/675259687.db2.gz XQLSWRHENMRVHH-PRHODGIISA-N -1 0 364.807 2.272 20 5 FEBDRM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567955166 675338832 /nfs/dbraw/zinc/33/88/32/675338832.db2.gz WGQLRLVPNHEKSD-NNTMWHKXSA-N -1 0 352.774 2.449 20 5 FEBDRM O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567957632 675339062 /nfs/dbraw/zinc/33/90/62/675339062.db2.gz KHYPVGLWGMGVDN-GXTWGEPZSA-N -1 0 354.790 2.481 20 5 FEBDRM CC(C)OCCOC1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000567977858 675340276 /nfs/dbraw/zinc/34/02/76/675340276.db2.gz OJVVHYFDXXHTFJ-UHFFFAOYSA-N -1 0 353.375 2.098 20 5 FEBDRM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000820799379 675389768 /nfs/dbraw/zinc/38/97/68/675389768.db2.gz MZFIDOKYCGZSHY-UHFFFAOYSA-N -1 0 367.774 2.400 20 5 FEBDRM O=C(c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])N1CCCOCC1 ZINC000825624007 675661370 /nfs/dbraw/zinc/66/13/70/675661370.db2.gz AWJZZIALAKUZAT-UHFFFAOYSA-N -1 0 366.761 2.002 20 5 FEBDRM Cc1cc(Cl)c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1[N+](=O)[O-] ZINC000827225230 675741454 /nfs/dbraw/zinc/74/14/54/675741454.db2.gz WRESUZKBNYLPSH-SECBINFHSA-N -1 0 350.766 2.090 20 5 FEBDRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000604286066 675804284 /nfs/dbraw/zinc/80/42/84/675804284.db2.gz FAKYVWTYUOVROR-ZDUSSCGKSA-N -1 0 358.745 2.281 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000619466209 676377978 /nfs/dbraw/zinc/37/79/78/676377978.db2.gz NBXVLVJWMXOEBW-UHFFFAOYSA-N -1 0 365.367 2.363 20 5 FEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)[O-] ZINC000619470610 676378542 /nfs/dbraw/zinc/37/85/42/676378542.db2.gz VRAMHDIMDHWXPV-WDEREUQCSA-N -1 0 374.415 2.161 20 5 FEBDRM CCCCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n[nH]1 ZINC000619507247 676382696 /nfs/dbraw/zinc/38/26/96/676382696.db2.gz SVCQLJFVMCYETE-UHFFFAOYSA-N -1 0 354.388 2.470 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830807661 677061954 /nfs/dbraw/zinc/06/19/54/677061954.db2.gz OEDDVBQMYJMCCR-CQSZACIVSA-N -1 0 359.304 2.186 20 5 FEBDRM CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000838816409 680720978 /nfs/dbraw/zinc/72/09/78/680720978.db2.gz FFZAZRZQVRCJND-MRVPVSSYSA-N -1 0 366.342 2.090 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000761429523 680723198 /nfs/dbraw/zinc/72/31/98/680723198.db2.gz SJSIWVABSMFCLB-QWRGUYRKSA-N -1 0 356.400 2.235 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(F)(F)F ZINC000838868104 680723251 /nfs/dbraw/zinc/72/32/51/680723251.db2.gz ZABRPQBNGQTDOC-ZETCQYMHSA-N -1 0 354.306 2.297 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C1CCC1 ZINC000838935765 680728198 /nfs/dbraw/zinc/72/81/98/680728198.db2.gz 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364.379 2.091 20 5 FEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1C(=O)[O-] ZINC000327691199 553790556 /nfs/dbraw/zinc/79/05/56/553790556.db2.gz SPWXLHAGNIROFE-UHFFFAOYSA-N -1 0 366.351 2.416 20 5 FEBDRM O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506474576 561699593 /nfs/dbraw/zinc/69/95/93/561699593.db2.gz NOBFMACBOCJQPP-INIZCTEOSA-N -1 0 355.350 2.226 20 5 FEBDRM CCCCCNC(=O)C1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000506495656 561700262 /nfs/dbraw/zinc/70/02/62/561700262.db2.gz NDXQELBXBFNWDA-UHFFFAOYSA-N -1 0 363.414 2.459 20 5 FEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000507094696 561717367 /nfs/dbraw/zinc/71/73/67/561717367.db2.gz NHJFAQAOBXCVMR-NSHDSACASA-N -1 0 357.370 2.316 20 5 FEBDRM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507282713 561723547 /nfs/dbraw/zinc/72/35/47/561723547.db2.gz PPHMQIPGTYLGOC-NSHDSACASA-N -1 0 362.773 2.358 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)c1C ZINC000508096526 561751433 /nfs/dbraw/zinc/75/14/33/561751433.db2.gz QNMHBYBDYMNJPL-LBPRGKRZSA-N -1 0 368.333 2.211 20 5 FEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC000508112858 561752182 /nfs/dbraw/zinc/75/21/82/561752182.db2.gz OFLPEEMSTJFLAL-UHFFFAOYSA-N -1 0 372.305 2.460 20 5 FEBDRM CC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1 ZINC000508209911 561755253 /nfs/dbraw/zinc/75/52/53/561755253.db2.gz DLSQRUFSJDLGTM-UHFFFAOYSA-N -1 0 365.367 2.368 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000331962902 554353665 /nfs/dbraw/zinc/35/36/65/554353665.db2.gz VGSKFAQSZDYFFQ-NSHDSACASA-N -1 0 351.750 2.439 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000509646193 561808805 /nfs/dbraw/zinc/80/88/05/561808805.db2.gz IROKURNKVXASDY-UHFFFAOYSA-N -1 0 350.352 2.475 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332303589 554421513 /nfs/dbraw/zinc/42/15/13/554421513.db2.gz KZYHJCPXLMIBBU-QMMMGPOBSA-N -1 0 352.734 2.357 20 5 FEBDRM O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000510019041 561822246 /nfs/dbraw/zinc/82/22/46/561822246.db2.gz VNKNDNCUSHWHOZ-UHFFFAOYSA-N -1 0 356.338 2.472 20 5 FEBDRM CN(CCc1ccccc1[N+](=O)[O-])CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000511104166 561857092 /nfs/dbraw/zinc/85/70/92/561857092.db2.gz AQRWLFJOIUVDAW-UHFFFAOYSA-N -1 0 374.422 2.091 20 5 FEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1[O-] ZINC000350592260 554800575 /nfs/dbraw/zinc/80/05/75/554800575.db2.gz GBZODZSNHSZTKJ-UHFFFAOYSA-N -1 0 369.337 2.249 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])c1 ZINC000364957198 555449963 /nfs/dbraw/zinc/44/99/63/555449963.db2.gz VNLCRPZYWOFAAT-CYBMUJFWSA-N -1 0 362.791 2.184 20 5 FEBDRM Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000365007174 555462919 /nfs/dbraw/zinc/46/29/19/555462919.db2.gz AWWHJNOYVMMDSV-AWEZNQCLSA-N -1 0 370.365 2.247 20 5 FEBDRM COC(=O)c1ccc(=NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[n-]n1 ZINC000619635551 555815646 /nfs/dbraw/zinc/81/56/46/555815646.db2.gz VUMWXAVGGQZPSP-SNVBAGLBSA-N -1 0 359.342 2.363 20 5 FEBDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1ccncc1 ZINC000366757177 555926230 /nfs/dbraw/zinc/92/62/30/555926230.db2.gz REYZHLKXXKIGTP-UHFFFAOYSA-N -1 0 359.367 2.489 20 5 FEBDRM COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000367663220 556108600 /nfs/dbraw/zinc/10/86/00/556108600.db2.gz DLTHBDDLJZUECW-HNNXBMFYSA-N -1 0 357.366 2.096 20 5 FEBDRM O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000369177117 556526102 /nfs/dbraw/zinc/52/61/02/556526102.db2.gz OUBDRHIYVRGBCK-UHFFFAOYSA-N -1 0 374.382 2.163 20 5 FEBDRM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000370578881 556912787 /nfs/dbraw/zinc/91/27/87/556912787.db2.gz DICXKDSEFXWLNQ-MRXNPFEDSA-N -1 0 369.377 2.221 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ncccc3F)n2)s1 ZINC000371155734 557091653 /nfs/dbraw/zinc/09/16/53/557091653.db2.gz QILHSPVMGKSROF-UHFFFAOYSA-N -1 0 369.359 2.177 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cn(C)nc1-c1ccccn1 ZINC000371214393 557109406 /nfs/dbraw/zinc/10/94/06/557109406.db2.gz XOTYNLOPOTYOLX-UHFFFAOYSA-N -1 0 373.394 2.500 20 5 FEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCN(c2cncc(F)c2)CC1 ZINC000372030067 557361260 /nfs/dbraw/zinc/36/12/60/557361260.db2.gz BPVNFITXQXQVHA-UHFFFAOYSA-N -1 0 360.345 2.187 20 5 FEBDRM C[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000518917150 562121050 /nfs/dbraw/zinc/12/10/50/562121050.db2.gz CTRFHXSRRKBOFT-SNVBAGLBSA-N -1 0 350.352 2.277 20 5 FEBDRM COCC(C)(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000518986075 562122545 /nfs/dbraw/zinc/12/25/45/562122545.db2.gz AOHSHPAZLURROK-UHFFFAOYSA-N -1 0 374.415 2.024 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000519200969 562127049 /nfs/dbraw/zinc/12/70/49/562127049.db2.gz VRISTUGHTZWHEV-UHFFFAOYSA-N -1 0 372.305 2.460 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@@H](C(=O)[O-])C(C)C)c1C ZINC000519534585 562133812 /nfs/dbraw/zinc/13/38/12/562133812.db2.gz BKLBAYXKXOHOJY-AAEUAGOBSA-N -1 0 358.416 2.235 20 5 FEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC3(C2)Oc2ccccc2O3)n1 ZINC000519651655 562138763 /nfs/dbraw/zinc/13/87/63/562138763.db2.gz MZTFMQQOHKLGGV-UHFFFAOYSA-N -1 0 357.322 2.374 20 5 FEBDRM C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C[C@H](C)O2 ZINC000373740016 557748502 /nfs/dbraw/zinc/74/85/02/557748502.db2.gz BKOGSMSMIPEQJU-BWACUDIHSA-N -1 0 350.371 2.099 20 5 FEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(OC2CCOCC2)CC1 ZINC000375836100 558087100 /nfs/dbraw/zinc/08/71/00/558087100.db2.gz BAMLEDPLSBUFQQ-UHFFFAOYSA-N -1 0 350.371 2.101 20 5 FEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@](CO)(c2ccccc2)C1 ZINC000375909922 558098310 /nfs/dbraw/zinc/09/83/10/558098310.db2.gz OPDJUJWFCVWRDE-IBGZPJMESA-N -1 0 356.378 2.467 20 5 FEBDRM Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376114584 558128973 /nfs/dbraw/zinc/12/89/73/558128973.db2.gz JQXVKGNAXWVKSH-UHFFFAOYSA-N -1 0 357.301 2.581 20 5 FEBDRM COC[C@@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000378024414 558465432 /nfs/dbraw/zinc/46/54/32/558465432.db2.gz JETFYNDDQQBPOJ-LJQANCHMSA-N -1 0 372.377 2.145 20 5 FEBDRM COCc1cc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1F ZINC000522982880 562207027 /nfs/dbraw/zinc/20/70/27/562207027.db2.gz JMIOAFJRQWRBEO-UHFFFAOYSA-N -1 0 372.349 2.498 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000387505878 558607561 /nfs/dbraw/zinc/60/75/61/558607561.db2.gz DLIYTMNVKXHERA-LBPRGKRZSA-N -1 0 358.416 2.413 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000392044314 558615622 /nfs/dbraw/zinc/61/56/22/558615622.db2.gz FNISKFJMUAMEAM-ZDUSSCGKSA-N -1 0 358.416 2.379 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCCCC[C@@H]1C(=O)[O-] ZINC000392187232 558616462 /nfs/dbraw/zinc/61/64/62/558616462.db2.gz SQXYSXFIYKYNGJ-CYBMUJFWSA-N -1 0 356.400 2.311 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1C ZINC000392418193 558617319 /nfs/dbraw/zinc/61/73/19/558617319.db2.gz MFPCHPWUUKMJHK-RNCFNFMXSA-N -1 0 356.400 2.085 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccs2)c1C ZINC000392521461 558617747 /nfs/dbraw/zinc/61/77/47/558617747.db2.gz ILWWXIJTEBIANK-CYBMUJFWSA-N -1 0 370.408 2.377 20 5 FEBDRM COc1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc2n1 ZINC000525182965 562242239 /nfs/dbraw/zinc/24/22/39/562242239.db2.gz VTQNBEFKXPGPAR-UHFFFAOYSA-N -1 0 374.378 2.025 20 5 FEBDRM C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000412323000 559027897 /nfs/dbraw/zinc/02/78/97/559027897.db2.gz GTSOUDRSYWJFFB-NXEZZACHSA-N -1 0 363.349 2.067 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000414343894 559157492 /nfs/dbraw/zinc/15/74/92/559157492.db2.gz NPAIJMMMKDCSQC-ZYHUDNBSSA-N -1 0 354.384 2.246 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nc(CN(C)C)cs1 ZINC000414458545 559165093 /nfs/dbraw/zinc/16/50/93/559165093.db2.gz MYFBWDJZRSEABX-UHFFFAOYSA-N -1 0 356.429 2.222 20 5 FEBDRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000414670528 559178616 /nfs/dbraw/zinc/17/86/16/559178616.db2.gz ZJTDIOJCJIMZRD-KGLIPLIRSA-N -1 0 369.805 2.048 20 5 FEBDRM CN(CCCC(=O)[O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000416421392 559311981 /nfs/dbraw/zinc/31/19/81/559311981.db2.gz BXXWTEHAUTVVMA-UHFFFAOYSA-N -1 0 366.761 2.095 20 5 FEBDRM Cc1cc(N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)ncc1[N+](=O)[O-] ZINC000416447292 559313525 /nfs/dbraw/zinc/31/35/25/559313525.db2.gz RGBYILZLDQGCLZ-BBRMVZONSA-N -1 0 370.365 2.137 20 5 FEBDRM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1=O ZINC000416450529 559313696 /nfs/dbraw/zinc/31/36/96/559313696.db2.gz YFNXHEJGRYHJRV-UKRRQHHQSA-N -1 0 372.381 2.265 20 5 FEBDRM CC[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000416485210 559316807 /nfs/dbraw/zinc/31/68/07/559316807.db2.gz ZYDUGAMUZKURCH-VIFPVBQESA-N -1 0 356.322 2.317 20 5 FEBDRM COc1ccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000424254390 559659495 /nfs/dbraw/zinc/65/94/95/559659495.db2.gz GUDZWXCCBGSOKO-LBPRGKRZSA-N -1 0 365.386 2.261 20 5 FEBDRM CCC(CC)(CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(=O)[O-] ZINC000424423002 559663963 /nfs/dbraw/zinc/66/39/63/559663963.db2.gz GOVLNBBGKSGEGL-UHFFFAOYSA-N -1 0 367.406 2.029 20 5 FEBDRM CC(C)C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC000424445531 559665325 /nfs/dbraw/zinc/66/53/25/559665325.db2.gz DRRHOGYZZNKQPW-SNVBAGLBSA-N -1 0 363.374 2.017 20 5 FEBDRM COc1cccc(S([O-])=CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000424706441 559674271 /nfs/dbraw/zinc/67/42/71/559674271.db2.gz BHIMWGXKKJTTQB-SANMLTNESA-N -1 0 374.418 2.296 20 5 FEBDRM O=C(CCCc1ccccc1)NCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000424957697 559681374 /nfs/dbraw/zinc/68/13/74/559681374.db2.gz ZNFWIAFEGYZGGT-UHFFFAOYSA-N -1 0 371.393 2.169 20 5 FEBDRM O=C(NCCc1cc(F)cc2c1OCOC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427913969 559765107 /nfs/dbraw/zinc/76/51/07/559765107.db2.gz MFUIYESDGKZTFU-UHFFFAOYSA-N -1 0 362.313 2.279 20 5 FEBDRM CN(c1ccccc1)c1ccc(CN=c2[n-]nc(CO)o2)cc1[N+](=O)[O-] ZINC000429851101 559807100 /nfs/dbraw/zinc/80/71/00/559807100.db2.gz WYCSHFCKLNOUQA-UHFFFAOYSA-N -1 0 355.354 2.850 20 5 FEBDRM Cc1nncn1-c1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000432102004 559852017 /nfs/dbraw/zinc/85/20/17/559852017.db2.gz GDOZMPGVMOOSED-UHFFFAOYSA-N -1 0 367.321 2.434 20 5 FEBDRM CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000432746812 559863870 /nfs/dbraw/zinc/86/38/70/559863870.db2.gz FVNJINFREJSHOL-XJKSGUPXSA-N -1 0 360.370 2.167 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCO3)nn2C)c([N+](=O)[O-])c1 ZINC000432958044 559868753 /nfs/dbraw/zinc/86/87/53/559868753.db2.gz DXFPGNDZNTWWES-ZDUSSCGKSA-N -1 0 366.399 2.289 20 5 FEBDRM CCOC(=O)c1sc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1C ZINC000436593027 559946228 /nfs/dbraw/zinc/94/62/28/559946228.db2.gz BOBAIAFMGIDBRT-UHFFFAOYSA-N -1 0 351.340 2.494 20 5 FEBDRM O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436671284 559948347 /nfs/dbraw/zinc/94/83/47/559948347.db2.gz VIYANMYHYKHBDY-UHFFFAOYSA-N -1 0 356.338 2.472 20 5 FEBDRM CCOC(=O)Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000436669713 559948381 /nfs/dbraw/zinc/94/83/81/559948381.db2.gz BKCLRSYJKOTPOK-UHFFFAOYSA-N -1 0 351.340 2.115 20 5 FEBDRM COCC(=O)N1CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc21 ZINC000436825380 559953146 /nfs/dbraw/zinc/95/31/46/559953146.db2.gz GCBSBQCGQMDSKV-UHFFFAOYSA-N -1 0 371.349 2.088 20 5 FEBDRM COC(=O)CN(CCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436825543 559953207 /nfs/dbraw/zinc/95/32/07/559953207.db2.gz LVDHCKWSTKGEDS-UHFFFAOYSA-N -1 0 358.350 2.158 20 5 FEBDRM O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436867092 559954880 /nfs/dbraw/zinc/95/48/80/559954880.db2.gz AJTXEGUXDOCCFF-KBXCAEBGSA-N -1 0 360.341 2.336 20 5 FEBDRM O=C(Nc1cccc(OCCn2cncn2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436907218 559956099 /nfs/dbraw/zinc/95/60/99/559956099.db2.gz FCNUHXBQYUTCCY-UHFFFAOYSA-N -1 0 369.337 2.223 20 5 FEBDRM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OCC(=O)N(C)C)c1 ZINC000436953358 559957307 /nfs/dbraw/zinc/95/73/07/559957307.db2.gz OPBZIVMHGBZEQM-UHFFFAOYSA-N -1 0 373.365 2.328 20 5 FEBDRM COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1 ZINC000436965081 559957630 /nfs/dbraw/zinc/95/76/30/559957630.db2.gz JYIJIODNKCRVRA-OAHLLOKOSA-N -1 0 358.350 2.295 20 5 FEBDRM COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])Cc1cccc(C)c1 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UHEKFIGNGOZTJU-UHFFFAOYSA-N -1 0 368.353 2.454 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000443267298 560076863 /nfs/dbraw/zinc/07/68/63/560076863.db2.gz JINQOWUCXNHGHP-UHFFFAOYSA-N -1 0 354.359 2.351 20 5 FEBDRM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000443267388 560076960 /nfs/dbraw/zinc/07/69/60/560076960.db2.gz VGPWVVNMFNETOV-GFCCVEGCSA-N -1 0 369.226 2.341 20 5 FEBDRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000448145518 560178799 /nfs/dbraw/zinc/17/87/99/560178799.db2.gz CXRFHFHQFSWMSY-UHFFFAOYSA-N -1 0 368.397 2.616 20 5 FEBDRM Cc1sc(S(=O)(=O)[N-]c2cnn([C@@H]3CCOC3)c2C)cc1[N+](=O)[O-] ZINC000451091576 560286499 /nfs/dbraw/zinc/28/64/99/560286499.db2.gz ALOUAASMTUJQDY-SNVBAGLBSA-N -1 0 372.428 2.232 20 5 FEBDRM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(CF)CCOCC1 ZINC000451736292 560325675 /nfs/dbraw/zinc/32/56/75/560325675.db2.gz LKCPUXYTKYEHPP-UHFFFAOYSA-N -1 0 352.771 2.045 20 5 FEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455964325 560502388 /nfs/dbraw/zinc/50/23/88/560502388.db2.gz ZOHCKRMJADOVQP-BLLLJJGKSA-N -1 0 357.366 2.360 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1 ZINC000462098048 560796960 /nfs/dbraw/zinc/79/69/60/560796960.db2.gz BRARBNNUZQEHDD-JOCHJYFZSA-N -1 0 354.409 2.441 20 5 FEBDRM O=C(N=c1[n-]nc(-c2ccco2)s1)NCCc1ccccc1[N+](=O)[O-] ZINC000466145726 560880958 /nfs/dbraw/zinc/88/09/58/560880958.db2.gz NYLMCUBWPLUJIT-UHFFFAOYSA-N -1 0 359.367 3.071 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000466524548 560888802 /nfs/dbraw/zinc/88/88/02/560888802.db2.gz DRVGOFHFVYVTLO-NSHDSACASA-N -1 0 356.306 2.285 20 5 FEBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000468938145 560942887 /nfs/dbraw/zinc/94/28/87/560942887.db2.gz LWJYUIKWNJCQHL-ZDUSSCGKSA-N -1 0 370.408 2.157 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C(F)F)s1 ZINC000472409739 561025793 /nfs/dbraw/zinc/02/57/93/561025793.db2.gz ICTBIJMGNFJLAS-UHFFFAOYSA-N -1 0 366.327 2.193 20 5 FEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1F ZINC000474300946 561070584 /nfs/dbraw/zinc/07/05/84/561070584.db2.gz AZNIUZHOFYFFAT-UHFFFAOYSA-N -1 0 372.305 2.460 20 5 FEBDRM O=C([O-])[C@@H](CC1CCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000530368258 562408430 /nfs/dbraw/zinc/40/84/30/562408430.db2.gz CIDVJTGLXJCXJW-LLVKDONJSA-N -1 0 362.791 2.170 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-] ZINC000530473108 562412553 /nfs/dbraw/zinc/41/25/53/562412553.db2.gz IPPYQWVDRNUACB-ZDUSSCGKSA-N -1 0 356.400 2.133 20 5 FEBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000531787282 562456615 /nfs/dbraw/zinc/45/66/15/562456615.db2.gz IKFLTIORYFXFSZ-ZDUSSCGKSA-N -1 0 374.390 2.134 20 5 FEBDRM COc1ccc(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1OC ZINC000532005392 562463867 /nfs/dbraw/zinc/46/38/67/562463867.db2.gz CLTJUICHBLUHCD-UHFFFAOYSA-N -1 0 374.349 2.283 20 5 FEBDRM O=C([O-])c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000534784779 562542379 /nfs/dbraw/zinc/54/23/79/562542379.db2.gz LWBHFYWVBNRVCZ-UHFFFAOYSA-N -1 0 370.770 2.425 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c([N+](=O)[O-])n1 ZINC000535991598 562571615 /nfs/dbraw/zinc/57/16/15/562571615.db2.gz PKFPGPWPHXKMMP-UHFFFAOYSA-N -1 0 363.355 2.267 20 5 FEBDRM Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000537219152 562588084 /nfs/dbraw/zinc/58/80/84/562588084.db2.gz IOHCBUDLPWIEIT-UHFFFAOYSA-N -1 0 364.379 2.406 20 5 FEBDRM COCC[C@H](Cc1ccco1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000541311444 562608661 /nfs/dbraw/zinc/60/86/61/562608661.db2.gz HOAABDLEUXQXRN-LLVKDONJSA-N -1 0 372.374 2.253 20 5 FEBDRM Cc1ccc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000545555181 562628847 /nfs/dbraw/zinc/62/88/47/562628847.db2.gz UDVAUFMRRZNVGD-UHFFFAOYSA-N -1 0 364.379 2.388 20 5 FEBDRM O=C([O-])c1cn([C@H]2CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)nn1 ZINC000569582653 568408446 /nfs/dbraw/zinc/40/84/46/568408446.db2.gz YAQIGNQTMHXXRC-ZDUSSCGKSA-N -1 0 368.353 2.274 20 5 FEBDRM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)n1 ZINC000569870240 568432140 /nfs/dbraw/zinc/43/21/40/568432140.db2.gz UCMCLTIMWUKWQM-NSHDSACASA-N -1 0 354.413 2.184 20 5 FEBDRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000610891874 597093589 /nfs/dbraw/zinc/09/35/89/597093589.db2.gz ICTLMLQWNUSZLK-LBPRGKRZSA-N -1 0 358.354 2.107 20 5 FEBDRM COC(=O)c1cc(S(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)c[n-]1 ZINC000808349929 674455460 /nfs/dbraw/zinc/45/54/60/674455460.db2.gz BVVXYZQDGMGKNF-UHFFFAOYSA-N -1 0 360.731 2.131 20 5 FEBDRM Cc1cc(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738331088 599701846 /nfs/dbraw/zinc/70/18/46/599701846.db2.gz UIFQLPWBPQQQST-AWEZNQCLSA-N -1 0 358.350 2.282 20 5 FEBDRM O=C([O-])c1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1O 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LHRQZJGKRJNIKX-UHFFFAOYSA-N -1 0 366.276 2.380 20 5 FEBDRM COc1cc(OCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1[N+](=O)[O-] ZINC000737902948 600042186 /nfs/dbraw/zinc/04/21/86/600042186.db2.gz RBICWIISXRBBIO-UHFFFAOYSA-N -1 0 372.333 2.223 20 5 FEBDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cc([N+](=O)[O-])cn3C)nc2n1 ZINC000738346349 600047605 /nfs/dbraw/zinc/04/76/05/600047605.db2.gz RBRCHPOSVOLVQV-UHFFFAOYSA-N -1 0 361.339 2.197 20 5 FEBDRM O=C([O-])[C@H]1C[C@@H]1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000739474783 600059643 /nfs/dbraw/zinc/05/96/43/600059643.db2.gz GLAOSIPKPKJYIE-GJZGRUSLSA-N -1 0 370.317 2.473 20 5 FEBDRM O=C([O-])c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000539605316 600065948 /nfs/dbraw/zinc/06/59/48/600065948.db2.gz RCWNFTRPHIVAPP-UHFFFAOYSA-N -1 0 362.269 2.456 20 5 FEBDRM Cc1c(NC(=O)C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cccc1[N+](=O)[O-] ZINC000738300659 600118451 /nfs/dbraw/zinc/11/84/51/600118451.db2.gz ANKKEBMICSUAHG-UHFFFAOYSA-N -1 0 369.333 2.082 20 5 FEBDRM Cc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000738558915 600159568 /nfs/dbraw/zinc/15/95/68/600159568.db2.gz BRVVNPGNAWWXPR-INIZCTEOSA-N -1 0 358.350 2.267 20 5 FEBDRM NS(=O)(=O)c1ccc(Nc2ccc(CCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000738446985 600162421 /nfs/dbraw/zinc/16/24/21/600162421.db2.gz WUXWLPWIZJUNSJ-UHFFFAOYSA-N -1 0 365.367 2.003 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](O)Cc1ccccc1 ZINC000740097867 600162763 /nfs/dbraw/zinc/16/27/63/600162763.db2.gz VSGNLFJGSSTIAH-LBPRGKRZSA-N -1 0 361.310 2.217 20 5 FEBDRM O=C([O-])c1cccc(CS(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000740227561 600164245 /nfs/dbraw/zinc/16/42/45/600164245.db2.gz NZVUZRFSRSOEBD-UHFFFAOYSA-N -1 0 362.363 2.186 20 5 FEBDRM COc1ccc(C=O)c(OCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000737983246 600192143 /nfs/dbraw/zinc/19/21/43/600192143.db2.gz RPZNXQXQOPTEOV-UHFFFAOYSA-N -1 0 374.305 2.132 20 5 FEBDRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 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Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(C)c2)c1 ZINC000542728436 673599818 /nfs/dbraw/zinc/59/98/18/673599818.db2.gz IWZVTWDLYDPTSY-UHFFFAOYSA-N -1 0 363.395 2.420 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000598734900 673604660 /nfs/dbraw/zinc/60/46/60/673604660.db2.gz QLXDKBDFNBSQQP-UHFFFAOYSA-N -1 0 350.400 2.473 20 5 FEBDRM C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000598748414 673606413 /nfs/dbraw/zinc/60/64/13/673606413.db2.gz KNZRFPVMITXROU-BADDSXTQSA-N -1 0 360.819 2.373 20 5 FEBDRM CC(C)Cc1nc(=NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s[n-]1 ZINC000598868409 673617792 /nfs/dbraw/zinc/61/77/92/673617792.db2.gz SXVIQCBGCLPAFR-UHFFFAOYSA-N -1 0 350.356 2.048 20 5 FEBDRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000739168521 673628675 /nfs/dbraw/zinc/62/86/75/673628675.db2.gz AJUOMQHKENOJNJ-UHFFFAOYSA-N -1 0 359.360 2.134 20 5 FEBDRM CC(C)[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599216885 673642368 /nfs/dbraw/zinc/64/23/68/673642368.db2.gz ZXWZTUFTEVDICW-ZDUSSCGKSA-N -1 0 352.416 2.046 20 5 FEBDRM CC(C)c1ccc(CCC[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599235738 673645766 /nfs/dbraw/zinc/64/57/66/673645766.db2.gz JRDCIFIRAWGIFA-UHFFFAOYSA-N -1 0 366.443 2.363 20 5 FEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000599468443 673679575 /nfs/dbraw/zinc/67/95/75/673679575.db2.gz MSYPVHQRLUFZHF-ZLKJLUDKSA-N -1 0 365.798 2.260 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC000744007472 673778885 /nfs/dbraw/zinc/77/88/85/673778885.db2.gz IKSVFNKKMHGOHW-HNNXBMFYSA-N -1 0 360.391 2.356 20 5 FEBDRM Cc1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1C(F)(F)F ZINC000600651600 673785905 /nfs/dbraw/zinc/78/59/05/673785905.db2.gz DXBKTQQRRLYODP-UHFFFAOYSA-N -1 0 364.305 2.456 20 5 FEBDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600651295 673785953 /nfs/dbraw/zinc/78/59/53/673785953.db2.gz 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368.411 2.167 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3c(s2)CC(C)(C)CC3)n1 ZINC000600669178 673790037 /nfs/dbraw/zinc/79/00/37/673790037.db2.gz VODXJJILXJLART-UHFFFAOYSA-N -1 0 371.444 2.101 20 5 FEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000600878525 673805226 /nfs/dbraw/zinc/80/52/26/673805226.db2.gz WZZVFGJMZWHSNY-JSGCOSHPSA-N -1 0 350.371 2.211 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000601827801 673898459 /nfs/dbraw/zinc/89/84/59/673898459.db2.gz XCQPACDEZUDTRI-SNVBAGLBSA-N -1 0 350.705 2.450 20 5 FEBDRM Cc1cc(S(=O)(=O)NC[C@]2(CC(=O)[O-])CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000547897299 673899817 /nfs/dbraw/zinc/89/98/17/673899817.db2.gz XYFVDPJYTVULTI-MEDUHNTESA-N -1 0 370.427 2.463 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)c1C ZINC000547918515 673904701 /nfs/dbraw/zinc/90/47/01/673904701.db2.gz ZAZOSFWBVOUSCT-WBMJQRKESA-N -1 0 368.411 2.087 20 5 FEBDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000547935876 673907004 /nfs/dbraw/zinc/90/70/04/673907004.db2.gz CNKOIAZHHDSGSZ-OCCSQVGLSA-N -1 0 372.443 2.336 20 5 FEBDRM CC[C@@H](SC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000747198331 673912046 /nfs/dbraw/zinc/91/20/46/673912046.db2.gz ROMGQZZVVZUKAU-SNVBAGLBSA-N -1 0 352.821 2.195 20 5 FEBDRM CC(C)(C)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000548202085 673933498 /nfs/dbraw/zinc/93/34/98/673933498.db2.gz DKNFYMQTPNPCIA-LBPRGKRZSA-N -1 0 358.416 2.151 20 5 FEBDRM C[C@@H]1CC[C@](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)(CC(=O)[O-])C1 ZINC000548213755 673935632 /nfs/dbraw/zinc/93/56/32/673935632.db2.gz JAMWEWMZAXTPQG-IAQYHMDHSA-N -1 0 356.400 2.154 20 5 FEBDRM C[C@H](CC(=O)[O-])C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000548244022 673941572 /nfs/dbraw/zinc/94/15/72/673941572.db2.gz FGBOVMINKGYUJM-GFCCVEGCSA-N -1 0 370.427 2.247 20 5 FEBDRM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 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680886890 /nfs/dbraw/zinc/88/68/90/680886890.db2.gz NAMXSBBERMPKPR-UHFFFAOYSA-N -1 0 370.368 2.421 20 5 FEBDRM Cn1c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2cccnc21 ZINC000767696646 680922634 /nfs/dbraw/zinc/92/26/34/680922634.db2.gz HJITUYDXHMBTBK-UHFFFAOYSA-N -1 0 367.774 2.331 20 5 FEBDRM CO[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000842280719 680936564 /nfs/dbraw/zinc/93/65/64/680936564.db2.gz LYOOLUDGZTYLRI-CQSZACIVSA-N -1 0 358.416 2.078 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C2(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000842404884 680944645 /nfs/dbraw/zinc/94/46/45/680944645.db2.gz AWRKBPUGOMHQTJ-UHFFFAOYSA-N -1 0 366.317 2.192 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cs1 ZINC000768815384 680959385 /nfs/dbraw/zinc/95/93/85/680959385.db2.gz ICZDNUMSSMOPSC-UHFFFAOYSA-N -1 0 365.396 2.097 20 5 FEBDRM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cs1 ZINC000768854313 680961677 /nfs/dbraw/zinc/96/16/77/680961677.db2.gz 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CCNc1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000774884791 681245778 /nfs/dbraw/zinc/24/57/78/681245778.db2.gz GTNLKOFXBGZQGB-UHFFFAOYSA-N -1 0 363.292 2.252 20 5 FEBDRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000775300272 681295031 /nfs/dbraw/zinc/29/50/31/681295031.db2.gz TZUIXDFRAKPQJL-UHFFFAOYSA-N -1 0 364.379 2.421 20 5 FEBDRM Cc1sc(S(=O)(=O)NCCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000776441164 681392420 /nfs/dbraw/zinc/39/24/20/681392420.db2.gz GANWSOGMJGFWNB-UHFFFAOYSA-N -1 0 350.418 2.278 20 5 FEBDRM O=C([O-])[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000776555947 681404904 /nfs/dbraw/zinc/40/49/04/681404904.db2.gz VVYUZIKPAGMCLA-AWEZNQCLSA-N -1 0 370.427 2.295 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000776571309 681408927 /nfs/dbraw/zinc/40/89/27/681408927.db2.gz KCBDDPQDRWSNFI-JTQLQIEISA-N -1 0 364.807 2.334 20 5 FEBDRM O=C([O-])C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000776609922 681416006 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COCc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000779310631 681701668 /nfs/dbraw/zinc/70/16/68/681701668.db2.gz OWCGCZRPQQNTHP-UHFFFAOYSA-N -1 0 364.379 2.168 20 5 FEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)ccc1[N+](=O)[O-] ZINC000779453427 681717423 /nfs/dbraw/zinc/71/74/23/681717423.db2.gz MGWSGIINSYCUEP-UHFFFAOYSA-N -1 0 355.759 2.070 20 5 FEBDRM CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000780292210 681811815 /nfs/dbraw/zinc/81/18/15/681811815.db2.gz ALOHPMCNOCMPLC-ZFWWWQNUSA-N -1 0 370.427 2.136 20 5 FEBDRM CCC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000780318310 681813932 /nfs/dbraw/zinc/81/39/32/681813932.db2.gz VMQRRVWDZAHFBT-ZWNOBZJWSA-N -1 0 374.390 2.134 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000850846381 681968313 /nfs/dbraw/zinc/96/83/13/681968313.db2.gz OKEUQYZPLSCPGM-NSHDSACASA-N -1 0 352.368 2.180 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 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355.778 2.118 20 5 FEBDRM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582788450 672034268 /nfs/dbraw/zinc/03/42/68/672034268.db2.gz YZICYZMXDQZVRI-ONGXEEELSA-N -1 0 355.778 2.118 20 5 FEBDRM CCSCC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000583750811 672123146 /nfs/dbraw/zinc/12/31/46/672123146.db2.gz NTAJEGKLUVMIIV-SECBINFHSA-N -1 0 362.429 2.103 20 5 FEBDRM O=C(CC1=CCCCC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000151467225 672163840 /nfs/dbraw/zinc/16/38/40/672163840.db2.gz JUVGVSQZCVQUNH-UHFFFAOYSA-N -1 0 352.412 2.474 20 5 FEBDRM Cc1conc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000153445973 672198973 /nfs/dbraw/zinc/19/89/73/672198973.db2.gz MVSIAVGAIQDSBZ-UHFFFAOYSA-N -1 0 362.161 2.455 20 5 FEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]N=c1nc[nH]c2ccsc21 ZINC000165431964 672317126 /nfs/dbraw/zinc/31/71/26/672317126.db2.gz UCARKAAITPHOBV-UHFFFAOYSA-N -1 0 369.359 2.044 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000174017375 672357103 /nfs/dbraw/zinc/35/71/03/672357103.db2.gz GXBGTHRVMRPGHD-VIFPVBQESA-N -1 0 370.333 2.482 20 5 FEBDRM CCOC(=O)CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000610987568 676008936 /nfs/dbraw/zinc/00/89/36/676008936.db2.gz FJWPCLNKLBKNAJ-UHFFFAOYSA-N -1 0 350.371 2.496 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)ccc1[N+](=O)[O-] ZINC000177679909 672385060 /nfs/dbraw/zinc/38/50/60/672385060.db2.gz VOCZPNOOQVTISN-UHFFFAOYSA-N -1 0 352.372 2.011 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000179601531 672403875 /nfs/dbraw/zinc/40/38/75/672403875.db2.gz KPUKKYFHTSQREL-VIFPVBQESA-N -1 0 370.333 2.482 20 5 FEBDRM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592135905 672762916 /nfs/dbraw/zinc/76/29/16/672762916.db2.gz UCKNELRHZOOMGI-MFKMUULPSA-N -1 0 356.400 2.492 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000592154696 672765072 /nfs/dbraw/zinc/76/50/72/672765072.db2.gz QOJILDVSMUVLLE-MRXNPFEDSA-N -1 0 370.427 2.333 20 5 FEBDRM CC[C@H](Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000592420865 672800688 /nfs/dbraw/zinc/80/06/88/672800688.db2.gz KJONYQCYJGUCND-LBPRGKRZSA-N -1 0 371.415 2.045 20 5 FEBDRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000592469170 672806864 /nfs/dbraw/zinc/80/68/64/672806864.db2.gz IOFVPZIQVBHIFM-KOLCDFICSA-N -1 0 356.762 2.387 20 5 FEBDRM COc1cccc(N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000592981398 672860807 /nfs/dbraw/zinc/86/08/07/672860807.db2.gz RJZDDFVRTDHUEZ-LRDDRELGSA-N -1 0 350.371 2.310 20 5 FEBDRM CCN(CCC(=O)[O-])C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000261979093 672906488 /nfs/dbraw/zinc/90/64/88/672906488.db2.gz VXJUPFQPUBTXJA-UHFFFAOYSA-N -1 0 364.276 2.473 20 5 FEBDRM CC[C@@](C)(NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262474729 672917065 /nfs/dbraw/zinc/91/70/65/672917065.db2.gz SRGGIXJKXMDXIW-OAHLLOKOSA-N -1 0 356.400 2.206 20 5 FEBDRM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000263102288 672927728 /nfs/dbraw/zinc/92/77/28/672927728.db2.gz RERTVTYDGFUSFZ-GHMZBOCLSA-N -1 0 354.384 2.021 20 5 FEBDRM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000263547932 672935814 /nfs/dbraw/zinc/93/58/14/672935814.db2.gz IMKXPCRVHBNTCU-UHFFFAOYSA-N -1 0 368.770 2.309 20 5 FEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(n2cnnn2)CCCCC1 ZINC000593580942 672950433 /nfs/dbraw/zinc/95/04/33/672950433.db2.gz PYIFTPHWEJTLND-UHFFFAOYSA-N -1 0 366.765 2.238 20 5 FEBDRM CCc1ccc(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000593701242 672980663 /nfs/dbraw/zinc/98/06/63/672980663.db2.gz VFKFEEIHHPFMOC-ZDUSSCGKSA-N -1 0 350.371 2.299 20 5 FEBDRM CO[C@@H](C)c1noc(CN(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000593744793 672986786 /nfs/dbraw/zinc/98/67/86/672986786.db2.gz XJXRIYODEROCEE-VIFPVBQESA-N -1 0 350.331 2.015 20 5 FEBDRM C[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593943859 673013897 /nfs/dbraw/zinc/01/38/97/673013897.db2.gz FLMWRFOALOBWCO-KGYLQXTDSA-N -1 0 370.427 2.150 20 5 FEBDRM O=C([O-])CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000594467175 673078493 /nfs/dbraw/zinc/07/84/93/673078493.db2.gz PYBNAQQCZBGVDO-UHFFFAOYSA-N -1 0 356.762 2.483 20 5 FEBDRM C[C@@H](C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000594573345 673099531 /nfs/dbraw/zinc/09/95/31/673099531.db2.gz MCMAWSLGRYLBTB-RYUDHWBXSA-N -1 0 356.400 2.106 20 5 FEBDRM C[C@H](C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1)C(=O)[O-] ZINC000594574063 673099875 /nfs/dbraw/zinc/09/98/75/673099875.db2.gz UQCGLTSUDHDAPN-NXEZZACHSA-N -1 0 362.429 2.168 20 5 FEBDRM C[C@H](C[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000594574279 673100211 /nfs/dbraw/zinc/10/02/11/673100211.db2.gz KLDDPMCOBWMVLB-TZMCWYRMSA-N -1 0 370.427 2.390 20 5 FEBDRM C[C@@H](C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000594574296 673100249 /nfs/dbraw/zinc/10/02/49/673100249.db2.gz XBRRELSTKXYVQF-WDEREUQCSA-N -1 0 374.390 2.245 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](CC(=O)[O-])C1 ZINC000594674658 673112678 /nfs/dbraw/zinc/11/26/78/673112678.db2.gz ZRJWASAOUWRXOO-PWSUYJOCSA-N -1 0 356.400 2.025 20 5 FEBDRM Cc1c(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000594718737 673122261 /nfs/dbraw/zinc/12/22/61/673122261.db2.gz BTFCZRQZDGMXSJ-SUNKGSAMSA-N -1 0 368.411 2.316 20 5 FEBDRM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000594719464 673122343 /nfs/dbraw/zinc/12/23/43/673122343.db2.gz JGRRIGKMSQFFAT-ZNMIVQPWSA-N -1 0 368.411 2.249 20 5 FEBDRM C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000594763526 673134231 /nfs/dbraw/zinc/13/42/31/673134231.db2.gz UGEQCNMGRMCGOR-ZIBATOQPSA-N -1 0 363.395 2.221 20 5 FEBDRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594766383 673134802 /nfs/dbraw/zinc/13/48/02/673134802.db2.gz VHFLSRKYAHNLMC-JQWIXIFHSA-N -1 0 373.431 2.025 20 5 FEBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000594780384 673139796 /nfs/dbraw/zinc/13/97/96/673139796.db2.gz HJCLPLDWEBJQFZ-ZYHUDNBSSA-N -1 0 369.424 2.250 20 5 FEBDRM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c1 ZINC000594782609 673140667 /nfs/dbraw/zinc/14/06/67/673140667.db2.gz FHLMBSRREXIDPW-JTQLQIEISA-N -1 0 369.374 2.047 20 5 FEBDRM Cc1cc(F)ccc1C[C@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594801298 673147958 /nfs/dbraw/zinc/14/79/58/673147958.db2.gz MOFFJBMFKNVGFW-NSHDSACASA-N -1 0 353.375 2.347 20 5 FEBDRM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000727350410 673167319 /nfs/dbraw/zinc/16/73/19/673167319.db2.gz YKBAOFDQQBLMAC-UHFFFAOYSA-N -1 0 374.375 2.258 20 5 FEBDRM C[C@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 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O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000540424804 673538939 /nfs/dbraw/zinc/53/89/39/673538939.db2.gz YNPKOVYFOBQUHF-VIFPVBQESA-N -1 0 358.383 2.342 20 5 FEBDRM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000540532160 673545628 /nfs/dbraw/zinc/54/56/28/673545628.db2.gz OEGAAFBWVICVJR-UHFFFAOYSA-N -1 0 365.367 2.233 20 5 FEBDRM COc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000737356241 673561498 /nfs/dbraw/zinc/56/14/98/673561498.db2.gz YVMRQQNNFYUNEK-LLVKDONJSA-N -1 0 364.379 2.424 20 5 FEBDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000542928845 673615953 /nfs/dbraw/zinc/61/59/53/673615953.db2.gz WHAOILYEYVGKMM-UHFFFAOYSA-N -1 0 370.339 2.174 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000599295819 673655015 /nfs/dbraw/zinc/65/50/15/673655015.db2.gz QIXFQBVJBJZJGX-WCQYABFASA-N -1 0 368.390 2.082 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000599295817 673655291 /nfs/dbraw/zinc/65/52/91/673655291.db2.gz QIXFQBVJBJZJGX-AAEUAGOBSA-N -1 0 368.390 2.082 20 5 FEBDRM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599502892 673685524 /nfs/dbraw/zinc/68/55/24/673685524.db2.gz KQGOFCBTLXUYRY-UHFFFAOYSA-N -1 0 353.322 2.391 20 5 FEBDRM Cn1cc(Br)c(=O)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000544647437 673722682 /nfs/dbraw/zinc/72/26/82/673722682.db2.gz LLONZKMMAVQUPX-UHFFFAOYSA-N -1 0 368.143 2.014 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnc2ccsc2c1 ZINC000744001744 673778310 /nfs/dbraw/zinc/77/83/10/673778310.db2.gz IYVRWIRINQENHV-UHFFFAOYSA-N -1 0 363.376 2.323 20 5 FEBDRM CCCc1ncc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)s1 ZINC000744133482 673783492 /nfs/dbraw/zinc/78/34/92/673783492.db2.gz WDJXVWLXDAQXEV-UHFFFAOYSA-N -1 0 361.426 2.184 20 5 FEBDRM CCCCn1ncc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1C(C)C ZINC000600656932 673786821 /nfs/dbraw/zinc/78/68/21/673786821.db2.gz YZGSHXZWIILHGW-UHFFFAOYSA-N -1 0 370.435 2.249 20 5 FEBDRM COc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cnc1OC ZINC000600658335 673787098 /nfs/dbraw/zinc/78/70/98/673787098.db2.gz CYUSJHZBSXMHJO-UHFFFAOYSA-N -1 0 367.383 2.425 20 5 FEBDRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000744209957 673787214 /nfs/dbraw/zinc/78/72/14/673787214.db2.gz ZENIMHKRJIVTEU-UHFFFAOYSA-N -1 0 350.352 2.031 20 5 FEBDRM C[C@](NS(=O)(=O)CC1CCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600666364 673789246 /nfs/dbraw/zinc/78/92/46/673789246.db2.gz QTKFZWGRDAJMEA-OAHLLOKOSA-N -1 0 356.400 2.004 20 5 FEBDRM CC(C)n1c2ccccc2nc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600668560 673790182 /nfs/dbraw/zinc/79/01/82/673790182.db2.gz MNSPYWREEWHCHG-UHFFFAOYSA-N -1 0 364.387 2.060 20 5 FEBDRM CCc1ccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000600876822 673805184 /nfs/dbraw/zinc/80/51/84/673805184.db2.gz PURJNSLSLQRSFR-BXUZGUMPSA-N -1 0 350.371 2.157 20 5 FEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000600877528 673805329 /nfs/dbraw/zinc/80/53/29/673805329.db2.gz LCWLYXIFYGELDQ-QGZVFWFLSA-N -1 0 350.371 2.131 20 5 FEBDRM CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000546970539 673829893 /nfs/dbraw/zinc/82/98/93/673829893.db2.gz QIYHOKHTZDEHSK-SKDRFNHKSA-N -1 0 356.400 2.411 20 5 FEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000746427226 673877457 /nfs/dbraw/zinc/87/74/57/673877457.db2.gz VOKBSHLNEZHKFN-UHFFFAOYSA-N -1 0 370.408 2.400 20 5 FEBDRM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547868516 673894700 /nfs/dbraw/zinc/89/47/00/673894700.db2.gz LLRLETIMEVMJKQ-UHFFFAOYSA-N -1 0 366.351 2.244 20 5 FEBDRM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)CC1CCCCC1 ZINC000547900152 673900474 /nfs/dbraw/zinc/90/04/74/673900474.db2.gz MZRYXFJKPFVWOF-HNNXBMFYSA-N -1 0 370.427 2.090 20 5 FEBDRM CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000547911230 673903358 /nfs/dbraw/zinc/90/33/58/673903358.db2.gz JGQYCNKYZSKLMZ-ZDUSSCGKSA-N -1 0 372.443 2.336 20 5 FEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-] ZINC000547931701 673905999 /nfs/dbraw/zinc/90/59/99/673905999.db2.gz HRGTVKTZBYVVIY-CMPLNLGQSA-N -1 0 374.415 2.161 20 5 FEBDRM CC(C)=CCSC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547932394 673906417 /nfs/dbraw/zinc/90/64/17/673906417.db2.gz DGFQZKHGHCKGFL-CYBMUJFWSA-N -1 0 374.440 2.026 20 5 FEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000547935875 673907020 /nfs/dbraw/zinc/90/70/20/673907020.db2.gz CNKOIAZHHDSGSZ-JSGCOSHPSA-N -1 0 372.443 2.336 20 5 FEBDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000547936375 673907109 /nfs/dbraw/zinc/90/71/09/673907109.db2.gz ZOZQELPTXHMPDO-YPMHNXCESA-N -1 0 358.416 2.294 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccsc2)cc1[N+](=O)[O-] ZINC000548196097 673932710 /nfs/dbraw/zinc/93/27/10/673932710.db2.gz WJCZEHIXTHWHSB-GFCCVEGCSA-N -1 0 370.408 2.459 20 5 FEBDRM CC(C)(C)C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548227308 673938127 /nfs/dbraw/zinc/93/81/27/673938127.db2.gz LEMPLDRTSIJQGR-VIFPVBQESA-N -1 0 364.807 2.416 20 5 FEBDRM Cc1cccc([C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C(=O)[O-])c1 ZINC000548530766 673966333 /nfs/dbraw/zinc/96/63/33/673966333.db2.gz SESJIYHMGTWMLJ-OAHLLOKOSA-N -1 0 364.379 2.316 20 5 FEBDRM Cc1ccc([C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000548533200 673966820 /nfs/dbraw/zinc/96/68/20/673966820.db2.gz CPBPMHGDZWZJSR-CQSZACIVSA-N -1 0 364.379 2.316 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1C ZINC000548543856 673968740 /nfs/dbraw/zinc/96/87/40/673968740.db2.gz GFGNOVMMCDHXRB-NSHDSACASA-N -1 0 358.416 2.379 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@H](CC2CCCC2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000548552397 673970370 /nfs/dbraw/zinc/97/03/70/673970370.db2.gz RJIKNGXASNWGGZ-CYBMUJFWSA-N -1 0 356.400 2.215 20 5 FEBDRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000548557276 673971221 /nfs/dbraw/zinc/97/12/21/673971221.db2.gz PHCOOUNQQNGDBQ-QMMMGPOBSA-N -1 0 350.780 2.120 20 5 FEBDRM C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000548575756 673975301 /nfs/dbraw/zinc/97/53/01/673975301.db2.gz KRZVWGLQMIWLRH-UWVGGRQHSA-N -1 0 362.429 2.168 20 5 FEBDRM Cc1cc(C)cc([C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000548593732 673977852 /nfs/dbraw/zinc/97/78/52/673977852.db2.gz LDVDVCYNDNUUJP-OAHLLOKOSA-N -1 0 364.379 2.316 20 5 FEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCCOC2)O1 ZINC000567050982 675263253 /nfs/dbraw/zinc/26/32/53/675263253.db2.gz AMWBZQOOZMSQSS-HWPZZCPQSA-N -1 0 370.789 2.364 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(n2ccnn2)CC1 ZINC000567051037 675263257 /nfs/dbraw/zinc/26/32/57/675263257.db2.gz BWKQMJOUYDLYBY-UHFFFAOYSA-N -1 0 351.750 2.023 20 5 FEBDRM Cc1ccc(OS(=O)(=O)c2cn[n-]c2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000820781293 675387239 /nfs/dbraw/zinc/38/72/39/675387239.db2.gz OYQMYQDZJNODCV-UHFFFAOYSA-N -1 0 351.262 2.413 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccoc1C ZINC000821603387 675442849 /nfs/dbraw/zinc/44/28/49/675442849.db2.gz WBQFAIWUPFOOLB-UHFFFAOYSA-N -1 0 353.356 2.047 20 5 FEBDRM COC[C@H](C)CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000825554139 675658445 /nfs/dbraw/zinc/65/84/45/675658445.db2.gz JSUOFZMDDNBUAQ-SECBINFHSA-N -1 0 368.777 2.152 20 5 FEBDRM COc1ccc(Cl)cc1CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604035388 675803356 /nfs/dbraw/zinc/80/33/56/675803356.db2.gz HBNMOXLKUUSDLG-UHFFFAOYSA-N -1 0 372.786 2.441 20 5 FEBDRM C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000604040221 675803363 /nfs/dbraw/zinc/80/33/63/675803363.db2.gz HNKGSIVAXNUFOU-JOYOIKCWSA-N -1 0 352.368 2.495 20 5 FEBDRM C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000604040220 675803366 /nfs/dbraw/zinc/80/33/66/675803366.db2.gz HNKGSIVAXNUFOU-CABZTGNLSA-N -1 0 352.368 2.495 20 5 FEBDRM Cc1ccc(CCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000604451666 675804903 /nfs/dbraw/zinc/80/49/03/675804903.db2.gz XGAZJDXVYYHDSA-UHFFFAOYSA-N -1 0 350.396 2.438 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000619468254 676378367 /nfs/dbraw/zinc/37/83/67/676378367.db2.gz LVLDPVUBXCNENA-UHFFFAOYSA-N -1 0 366.399 2.393 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CC2)nc(C)n1 ZINC000619507552 676382763 /nfs/dbraw/zinc/38/27/63/676382763.db2.gz LELVRMXKBMZDSG-UHFFFAOYSA-N -1 0 364.383 2.380 20 5 FEBDRM CCCCC[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000829928296 677018186 /nfs/dbraw/zinc/01/81/86/677018186.db2.gz ATCCBDQHZUNVTA-AWEZNQCLSA-N -1 0 358.416 2.090 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000838805514 680720271 /nfs/dbraw/zinc/72/02/71/680720271.db2.gz ITHUZLHVBHHGKJ-MRVPVSSYSA-N -1 0 354.306 2.297 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(CC)CCC1 ZINC000838933869 680728029 /nfs/dbraw/zinc/72/80/29/680728029.db2.gz MCGIDBRZKGOTGE-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000762063784 680739614 /nfs/dbraw/zinc/73/96/14/680739614.db2.gz IOSURRJDIOWYGR-MRVPVSSYSA-N -1 0 364.832 2.115 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC000762018357 680737745 /nfs/dbraw/zinc/73/77/45/680737745.db2.gz RCJWLZLARNWIKS-UHFFFAOYSA-N -1 0 368.342 2.002 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000763926054 680795863 /nfs/dbraw/zinc/79/58/63/680795863.db2.gz VRHKFXIZPLRPOS-NSHDSACASA-N -1 0 364.379 2.212 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000764053998 680799022 /nfs/dbraw/zinc/79/90/22/680799022.db2.gz QVUSVJNBPSAQKE-JTQLQIEISA-N -1 0 352.368 2.413 20 5 FEBDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000764564592 680814924 /nfs/dbraw/zinc/81/49/24/680814924.db2.gz URSAJTGBFOEBKE-GFCCVEGCSA-N -1 0 358.416 2.481 20 5 FEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000747596575 679891896 /nfs/dbraw/zinc/89/18/96/679891896.db2.gz POFWRJMFFIVLGF-UHFFFAOYSA-N -1 0 370.314 2.027 20 5 FEBDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000750759294 680131612 /nfs/dbraw/zinc/13/16/12/680131612.db2.gz JHYLOPKWUFFEBS-NTMALXAHSA-N -1 0 365.342 2.037 20 5 FEBDRM O=C([O-])[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000833124220 680188422 /nfs/dbraw/zinc/18/84/22/680188422.db2.gz SKHDCYCDHNHGNB-CYBMUJFWSA-N -1 0 351.315 2.266 20 5 FEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1C ZINC000753083711 680273994 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Cc1cccc2c(=O)n(CCC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cnc12 ZINC000124916664 326462260 /nfs/dbraw/zinc/46/22/60/326462260.db2.gz GKQRBFGVNREWMZ-UHFFFAOYSA-N -1 0 368.349 2.348 20 5 FEBDRM O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc21 ZINC000151236130 326677746 /nfs/dbraw/zinc/67/77/46/326677746.db2.gz AADLJIHGRVVGFY-UHFFFAOYSA-N -1 0 369.377 2.400 20 5 FEBDRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159842734 326943736 /nfs/dbraw/zinc/94/37/36/326943736.db2.gz FUHHFJDCOOGFKQ-LLVKDONJSA-N -1 0 357.160 2.437 20 5 FEBDRM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159978132 326949143 /nfs/dbraw/zinc/94/91/43/326949143.db2.gz OEKLLEVWUOPJDL-QGZVFWFLSA-N -1 0 371.393 2.104 20 5 FEBDRM O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160024582 326950794 /nfs/dbraw/zinc/95/07/94/326950794.db2.gz PYXMDEQGOPGAHN-UHFFFAOYSA-N -1 0 355.350 2.357 20 5 FEBDRM CCc1cc(N2CCC[C@H](NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)ncn1 ZINC000160335218 326961901 /nfs/dbraw/zinc/96/19/01/326961901.db2.gz KXTQPTSPSOXNMV-AWEZNQCLSA-N -1 0 371.397 2.052 20 5 FEBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000160648057 326972541 /nfs/dbraw/zinc/97/25/41/326972541.db2.gz WVMXLDCRHDZYFJ-UHFFFAOYSA-N -1 0 361.339 2.437 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C)c2C(N)=O)c1C ZINC000162094808 327016961 /nfs/dbraw/zinc/01/69/61/327016961.db2.gz QKZPURUECGJNPS-UHFFFAOYSA-N -1 0 363.395 2.420 20 5 FEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000164392198 327069553 /nfs/dbraw/zinc/06/95/53/327069553.db2.gz ZWZVTACYYUQTSJ-UHFFFAOYSA-N -1 0 362.773 2.311 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000172315958 327195239 /nfs/dbraw/zinc/19/52/39/327195239.db2.gz WBNSCPTXAXLFHG-UHFFFAOYSA-N -1 0 369.424 2.487 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc([S@](C)=O)cc1 ZINC000174262758 327316066 /nfs/dbraw/zinc/31/60/66/327316066.db2.gz NWMBEGYOWPIMIV-QFIPXVFZSA-N -1 0 354.409 2.441 20 5 FEBDRM CC(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000261612709 328805266 /nfs/dbraw/zinc/80/52/66/328805266.db2.gz FEXCHVHFJDYJOT-JTQLQIEISA-N -1 0 350.780 2.026 20 5 FEBDRM O=C([O-])[C@@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCSC1 ZINC000262261974 328854760 /nfs/dbraw/zinc/85/47/60/328854760.db2.gz YYBTYKJWEZGAGT-CQSZACIVSA-N -1 0 352.393 2.500 20 5 FEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000263092381 328914799 /nfs/dbraw/zinc/91/47/99/328914799.db2.gz IZEWZQCNOFEYPC-IUCAKERBSA-N -1 0 362.791 2.122 20 5 FEBDRM O=C([O-])CC[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000263105299 328915928 /nfs/dbraw/zinc/91/59/28/328915928.db2.gz JGHDNHLQCZTVHI-NSHDSACASA-N -1 0 354.334 2.216 20 5 FEBDRM COc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc([N+](=O)[O-])c1OC ZINC000263109991 328916275 /nfs/dbraw/zinc/91/62/75/328916275.db2.gz JNSUTQASAIFDGR-GFCCVEGCSA-N -1 0 366.370 2.472 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[N+](=O)[O-] ZINC000263200820 328924444 /nfs/dbraw/zinc/92/44/44/328924444.db2.gz XGNLNUXOWLVTLM-NEPJUHHUSA-N -1 0 356.400 2.085 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC000263424478 328938855 /nfs/dbraw/zinc/93/88/55/328938855.db2.gz QQSNVXDMEDNOKS-LBPRGKRZSA-N -1 0 352.391 2.262 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1C ZINC000263484322 328943240 /nfs/dbraw/zinc/94/32/40/328943240.db2.gz HAFHDPAMRZTZSB-NWDGAFQWSA-N -1 0 356.400 2.085 20 5 FEBDRM CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000267954482 329371451 /nfs/dbraw/zinc/37/14/51/329371451.db2.gz RFWLPPTYYRMLQQ-UHFFFAOYSA-N -1 0 365.386 2.383 20 5 FEBDRM CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269216550 329497330 /nfs/dbraw/zinc/49/73/30/329497330.db2.gz YJDYVAVGHGKXCP-UHFFFAOYSA-N -1 0 365.386 2.383 20 5 FEBDRM CN(CCCC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000270430218 329600356 /nfs/dbraw/zinc/60/03/56/329600356.db2.gz HVNXBDUVIMOSEC-UHFFFAOYSA-N -1 0 370.305 2.099 20 5 FEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000272443396 329781846 /nfs/dbraw/zinc/78/18/46/329781846.db2.gz VADJCVWOPMQWNC-LBPRGKRZSA-N -1 0 365.386 2.382 20 5 FEBDRM CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000273351561 329857876 /nfs/dbraw/zinc/85/78/76/329857876.db2.gz YHFJVDSICOLVSS-NSHDSACASA-N -1 0 365.386 2.287 20 5 FEBDRM CC1(C(=O)[O-])CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000275072388 330007496 /nfs/dbraw/zinc/00/74/96/330007496.db2.gz HEZYUEOWDZRGCP-UHFFFAOYSA-N -1 0 362.791 2.124 20 5 FEBDRM C[C@@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000275156667 330016472 /nfs/dbraw/zinc/01/64/72/330016472.db2.gz SMIBWTPARNCQOR-WDEREUQCSA-N -1 0 374.390 2.245 20 5 FEBDRM C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000275181988 330019237 /nfs/dbraw/zinc/01/92/37/330019237.db2.gz WSWPOIQGADXZCH-NSHDSACASA-N -1 0 356.400 2.106 20 5 FEBDRM O=C([O-])CCC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000275186079 330019810 /nfs/dbraw/zinc/01/98/10/330019810.db2.gz YTVQSBUTANOSJW-UHFFFAOYSA-N -1 0 356.400 2.001 20 5 FEBDRM O=C([O-])CCCCCCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000275223283 330023589 /nfs/dbraw/zinc/02/35/89/330023589.db2.gz IUCJPDYKRZVPSP-UHFFFAOYSA-N -1 0 358.416 2.439 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000275321114 330035004 /nfs/dbraw/zinc/03/50/04/330035004.db2.gz PGAMCBNRAGKSDY-GFCCVEGCSA-N -1 0 356.400 2.311 20 5 FEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275535779 330060980 /nfs/dbraw/zinc/06/09/80/330060980.db2.gz CHPDHXMLDQRBCK-FWDPORAESA-N -1 0 374.802 2.122 20 5 FEBDRM COCc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000806094259 674367241 /nfs/dbraw/zinc/36/72/41/674367241.db2.gz NHIRHEPZAUFHBX-UHFFFAOYSA-N -1 0 364.379 2.001 20 5 FEBDRM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000159343858 545944739 /nfs/dbraw/zinc/94/47/39/545944739.db2.gz RMUGWJBXMCHXBS-CHWSQXEVSA-N -1 0 363.414 2.457 20 5 FEBDRM Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000479540399 561191524 /nfs/dbraw/zinc/19/15/24/561191524.db2.gz UCEWGQDWDHIWCK-HNNXBMFYSA-N -1 0 362.363 2.108 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCC(C)=C(C)C1 ZINC000479866951 561198333 /nfs/dbraw/zinc/19/83/33/561198333.db2.gz TYJABYPDDYBXNI-UHFFFAOYSA-N -1 0 354.384 2.332 20 5 FEBDRM Cc1cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000480217838 561205119 /nfs/dbraw/zinc/20/51/19/561205119.db2.gz BLGHFVAHLLODSE-UHFFFAOYSA-N -1 0 350.352 2.427 20 5 FEBDRM Cc1c(CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000178662301 546828248 /nfs/dbraw/zinc/82/82/48/546828248.db2.gz CCBGOQOHSVUGSU-UHFFFAOYSA-N -1 0 354.322 2.428 20 5 FEBDRM O=C([O-])c1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000481944904 561246050 /nfs/dbraw/zinc/24/60/50/561246050.db2.gz QQGZOCIYIYEMGB-UHFFFAOYSA-N -1 0 353.294 2.126 20 5 FEBDRM CCn1nnnc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179510250 546968029 /nfs/dbraw/zinc/96/80/29/546968029.db2.gz AZBJBRCWRCKUBW-UHFFFAOYSA-N -1 0 354.326 2.226 20 5 FEBDRM C[C@](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])(C(N)=O)c1cccc(Cl)c1 ZINC000179537858 546973553 /nfs/dbraw/zinc/97/35/53/546973553.db2.gz NUMHGBGMTJYWFA-MRXNPFEDSA-N -1 0 363.757 2.084 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000181860180 547393315 /nfs/dbraw/zinc/39/33/15/547393315.db2.gz DDYFOSSCXUPASH-LBPRGKRZSA-N -1 0 367.365 2.363 20 5 FEBDRM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000182088062 547435271 /nfs/dbraw/zinc/43/52/71/547435271.db2.gz YYFSNDHBUQMLMH-HNNXBMFYSA-N -1 0 369.377 2.473 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000182172671 547448042 /nfs/dbraw/zinc/44/80/42/547448042.db2.gz ZDLHAZNUYXMGFJ-NSHDSACASA-N -1 0 357.370 2.316 20 5 FEBDRM Cn1ccnc1COc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000484249428 561294577 /nfs/dbraw/zinc/29/45/77/561294577.db2.gz VSXPSDQZZMHEHN-UHFFFAOYSA-N -1 0 369.337 2.260 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccn(CC(F)F)n1 ZINC000484610653 561301019 /nfs/dbraw/zinc/30/10/19/561301019.db2.gz BPFOXJWWURJCAA-UHFFFAOYSA-N -1 0 360.342 2.474 20 5 FEBDRM C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000184698939 547867000 /nfs/dbraw/zinc/86/70/00/547867000.db2.gz IZQPSLKSRQWOMN-YDHLFZDLSA-N -1 0 363.414 2.014 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)ccc1[N+](=O)[O-] ZINC000485444753 561319218 /nfs/dbraw/zinc/31/92/18/561319218.db2.gz HVBSBCOXUUYNNB-UHFFFAOYSA-N -1 0 364.383 2.380 20 5 FEBDRM C[C@H](c1nccs1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000185695802 548021018 /nfs/dbraw/zinc/02/10/18/548021018.db2.gz XNURACJNJGNFDF-LLVKDONJSA-N -1 0 362.411 2.276 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000185866857 548047431 /nfs/dbraw/zinc/04/74/31/548047431.db2.gz OQHRQFFWVGWKHR-NSHDSACASA-N -1 0 357.370 2.316 20 5 FEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)Cc1cccc(F)c1 ZINC000485803734 561328435 /nfs/dbraw/zinc/32/84/35/561328435.db2.gz FWZRUONKZYPURY-JTQLQIEISA-N -1 0 352.343 2.469 20 5 FEBDRM CN(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194663014 548513123 /nfs/dbraw/zinc/51/31/23/548513123.db2.gz UPDJYOLOIDUXRR-UHFFFAOYSA-N -1 0 367.358 2.237 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCSC1 ZINC000487473747 561370381 /nfs/dbraw/zinc/37/03/81/561370381.db2.gz NMPWKRKIEDEBHX-SNVBAGLBSA-N -1 0 374.440 2.023 20 5 FEBDRM COc1c(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000488228968 561386554 /nfs/dbraw/zinc/38/65/54/561386554.db2.gz DGMHHUFJXYIQCY-UHFFFAOYSA-N -1 0 360.294 2.388 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246872509 549232555 /nfs/dbraw/zinc/23/25/55/549232555.db2.gz QYTWSUHEHRWYIA-VCTAVGKDSA-N -1 0 370.402 2.360 20 5 FEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262081859 549787065 /nfs/dbraw/zinc/78/70/65/549787065.db2.gz DRQZXMAQDKMGPS-YMTOWFKASA-N -1 0 356.425 2.152 20 5 FEBDRM Cc1ccc([C@@H]2COCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000262151204 549793213 /nfs/dbraw/zinc/79/32/13/549793213.db2.gz OODQZMLYCQTFOT-AWEZNQCLSA-N -1 0 360.322 2.408 20 5 FEBDRM COc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000262195025 549797551 /nfs/dbraw/zinc/79/75/51/549797551.db2.gz TXQRIJVKVDEQJK-LLVKDONJSA-N -1 0 366.370 2.329 20 5 FEBDRM COc1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000262242206 549801756 /nfs/dbraw/zinc/80/17/56/549801756.db2.gz PGLXMYSPZBUUSM-CYBMUJFWSA-N -1 0 362.260 2.083 20 5 FEBDRM 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/nfs/dbraw/zinc/16/08/13/559160813.db2.gz JUCNSWWTQRKRDO-SSDOTTSWSA-N -1 0 370.305 2.160 20 5 FEBDRM CC[C@H](C)[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000416396287 559310011 /nfs/dbraw/zinc/31/00/11/559310011.db2.gz BAABMCVTIVNMCI-HZMBPMFUSA-N -1 0 360.370 2.471 20 5 FEBDRM Cc1nc(N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000416445477 559313327 /nfs/dbraw/zinc/31/33/27/559313327.db2.gz LRITXFGMURJECD-XJKSGUPXSA-N -1 0 370.365 2.137 20 5 FEBDRM CC(C)[C@H](C(=O)[O-])N1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000416448858 559313548 /nfs/dbraw/zinc/31/35/48/559313548.db2.gz UVPOXXZVUFBCGE-WCQYABFASA-N -1 0 355.778 2.370 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)n(C(C)C)n1 ZINC000421172226 559528627 /nfs/dbraw/zinc/52/86/27/559528627.db2.gz IRJRFLFIFXKEHK-UHFFFAOYSA-N -1 0 354.388 2.490 20 5 FEBDRM C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424262803 559659834 /nfs/dbraw/zinc/65/98/34/559659834.db2.gz GRWBUTVWEAKCOU-OTYXRUKQSA-N -1 0 355.778 2.372 20 5 FEBDRM CCOc1ccc(NC(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274747 559660386 /nfs/dbraw/zinc/66/03/86/559660386.db2.gz ZJJVDGBAMPGNAD-BDJLRTHQSA-N -1 0 365.386 2.117 20 5 FEBDRM CC(C)C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC000424445530 559665389 /nfs/dbraw/zinc/66/53/89/559665389.db2.gz DRRHOGYZZNKQPW-JTQLQIEISA-N -1 0 363.374 2.017 20 5 FEBDRM CC(C)(C(=O)N1CCC(C2N=NC(=O)O2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000425326306 559696799 /nfs/dbraw/zinc/69/67/99/559696799.db2.gz UPFHMFTWJFUYAN-UHFFFAOYSA-N -1 0 360.370 2.367 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000426019915 559727810 /nfs/dbraw/zinc/72/78/10/559727810.db2.gz GXMHSPNQRZKTPK-SFHVURJKSA-N -1 0 368.349 2.210 20 5 FEBDRM NC(=O)c1cc(-c2csc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n2)c[nH]1 ZINC000427928041 559765393 /nfs/dbraw/zinc/76/53/93/559765393.db2.gz KRTWDJOFZPBGNZ-UHFFFAOYSA-N -1 0 373.350 2.103 20 5 FEBDRM Cc1cc(OCC(=O)N=c2nc(-c3cccnc3)[n-]s2)ccc1[N+](=O)[O-] ZINC000430782590 559828192 /nfs/dbraw/zinc/82/81/92/559828192.db2.gz JFNXUURTAHTPRZ-UHFFFAOYSA-N -1 0 371.378 2.256 20 5 FEBDRM COC(=O)[C@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000433418203 559880886 /nfs/dbraw/zinc/88/08/86/559880886.db2.gz SAEBFIUGABFWJA-OAHLLOKOSA-N -1 0 368.349 3.014 20 5 FEBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3cncc(F)c3)n[nH]2)c1 ZINC000434967151 559913449 /nfs/dbraw/zinc/91/34/49/559913449.db2.gz NIEDMBIGZZSKLG-UHFFFAOYSA-N -1 0 363.330 2.320 20 5 FEBDRM O=C(Nc1cccc(OCCn2cncn2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436674397 559948574 /nfs/dbraw/zinc/94/85/74/559948574.db2.gz VOGFBILSKDSPNP-UHFFFAOYSA-N -1 0 369.337 2.223 20 5 FEBDRM O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436710622 559949598 /nfs/dbraw/zinc/94/95/98/559949598.db2.gz WQMBBEIPAUUTIB-UHFFFAOYSA-N -1 0 373.296 2.345 20 5 FEBDRM COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] 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LQJHCZCHBLNKEQ-UHFFFAOYSA-N -1 0 359.338 2.263 20 5 FEBDRM COc1cc(OC)c(OC)cc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436926410 559956603 /nfs/dbraw/zinc/95/66/03/559956603.db2.gz NKPBJWCQRWOBIK-UHFFFAOYSA-N -1 0 362.338 2.256 20 5 FEBDRM COc1cc(OC)c(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000436955238 559957441 /nfs/dbraw/zinc/95/74/41/559957441.db2.gz JSYGEPKDPXJCJU-UHFFFAOYSA-N -1 0 362.338 2.256 20 5 FEBDRM CCS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000436990189 559958839 /nfs/dbraw/zinc/95/88/39/559958839.db2.gz PJPQNZISBDRODV-UHFFFAOYSA-N -1 0 370.408 2.086 20 5 FEBDRM CS(=O)(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000437518230 559965451 /nfs/dbraw/zinc/96/54/51/559965451.db2.gz WNBHJRULWGADGN-UHFFFAOYSA-N -1 0 364.379 2.140 20 5 FEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000438716956 559982660 /nfs/dbraw/zinc/98/26/60/559982660.db2.gz IQMSSHRFWRUVLT-UHFFFAOYSA-N -1 0 366.351 2.191 20 5 FEBDRM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1N ZINC000439245934 559990768 /nfs/dbraw/zinc/99/07/68/559990768.db2.gz BOQODFIYERYGIC-UHFFFAOYSA-N -1 0 365.367 2.073 20 5 FEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1C ZINC000439571468 559997118 /nfs/dbraw/zinc/99/71/18/559997118.db2.gz NRDZXRRPPVLXES-UHFFFAOYSA-N -1 0 367.383 2.138 20 5 FEBDRM Cc1sc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000442235962 560046627 /nfs/dbraw/zinc/04/66/27/560046627.db2.gz CJHCCKVJOIYOCH-UHFFFAOYSA-N -1 0 368.396 2.358 20 5 FEBDRM CC1(C)CCCCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000445551848 560132910 /nfs/dbraw/zinc/13/29/10/560132910.db2.gz SIWOWNUKOSVVTB-UHFFFAOYSA-N -1 0 356.400 2.494 20 5 FEBDRM Cn1nc([C@@H]2CCCOC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447906479 560172723 /nfs/dbraw/zinc/17/27/23/560172723.db2.gz XOAMBPSHWZALIW-SECBINFHSA-N -1 0 372.428 2.085 20 5 FEBDRM O=C(N=c1nc2ccccn2[n-]1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448342622 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ZINC000469346064 560952960 /nfs/dbraw/zinc/95/29/60/560952960.db2.gz RKOUIFAXMRDFEM-UHFFFAOYSA-N -1 0 362.367 2.291 20 5 FEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000473462114 561050339 /nfs/dbraw/zinc/05/03/39/561050339.db2.gz NSWYBULKRAQPQT-UHFFFAOYSA-N -1 0 371.349 2.278 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c([N+](=O)[O-])n1 ZINC000473768507 561057355 /nfs/dbraw/zinc/05/73/55/561057355.db2.gz VQUGMUZDHSCYHX-UHFFFAOYSA-N -1 0 371.322 2.087 20 5 FEBDRM Cc1noc2ncc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)cc12 ZINC000475790473 561105362 /nfs/dbraw/zinc/10/53/62/561105362.db2.gz NNHOKCHMHRIODO-UHFFFAOYSA-N -1 0 352.303 2.379 20 5 FEBDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1 ZINC000476258745 561114730 /nfs/dbraw/zinc/11/47/30/561114730.db2.gz NEJUGXIJUYAZHE-UHFFFAOYSA-N -1 0 350.352 2.491 20 5 FEBDRM COc1ccc(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000537373234 562590277 /nfs/dbraw/zinc/59/02/77/562590277.db2.gz 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599941704 /nfs/dbraw/zinc/94/17/04/599941704.db2.gz MNKMMJIOGZHKRN-UHFFFAOYSA-N -1 0 365.319 2.182 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000738068969 599969944 /nfs/dbraw/zinc/96/99/44/599969944.db2.gz TVLBRZNTZWXVKH-AWEZNQCLSA-N -1 0 366.276 2.437 20 5 FEBDRM O=C([O-])c1cc(C(=O)Nc2cnccc2-n2cccn2)cc([N+](=O)[O-])c1 ZINC000738672945 600003553 /nfs/dbraw/zinc/00/35/53/600003553.db2.gz NSUWVDOFSDMKHH-UHFFFAOYSA-N -1 0 353.294 2.126 20 5 FEBDRM COc1cc(C(=O)Oc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])cc1OC ZINC000737862262 600028741 /nfs/dbraw/zinc/02/87/41/600028741.db2.gz IDWUZLRXVAABAL-UHFFFAOYSA-N -1 0 361.306 2.458 20 5 FEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCN(c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000738672594 600048384 /nfs/dbraw/zinc/04/83/84/600048384.db2.gz JIRLBMOWPVCZPI-AWEZNQCLSA-N -1 0 355.350 2.302 20 5 FEBDRM O=Cc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000740317075 600061490 /nfs/dbraw/zinc/06/14/90/600061490.db2.gz 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CC(C)[C@@H](NC(=O)[O-])C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000736380280 600207706 /nfs/dbraw/zinc/20/77/06/600207706.db2.gz QEQMEZLCJGMUGJ-GFCCVEGCSA-N -1 0 373.749 2.022 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCCn2cnc3ccccc3c2=O)c1 ZINC000740187144 600274509 /nfs/dbraw/zinc/27/45/09/600274509.db2.gz XPWWUBXLAMLSEP-UHFFFAOYSA-N -1 0 355.306 2.082 20 5 FEBDRM CS[C@@H]1CCC[C@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000738180875 600314071 /nfs/dbraw/zinc/31/40/71/600314071.db2.gz GFJSONGKRZNEDF-NWDGAFQWSA-N -1 0 367.427 2.495 20 5 FEBDRM O=C([O-])CC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000262488392 600360805 /nfs/dbraw/zinc/36/08/05/600360805.db2.gz VZDBICQZIOSXRU-UHFFFAOYSA-N -1 0 359.338 2.176 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(n2ccnc2)CC1 ZINC000740098610 600434018 /nfs/dbraw/zinc/43/40/18/600434018.db2.gz WQIHDIVDFWQDLG-UHFFFAOYSA-N -1 0 361.314 2.239 20 5 FEBDRM CC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 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/nfs/dbraw/zinc/53/92/53/600539253.db2.gz RKUZHGHTRGZRNT-CYBMUJFWSA-N -1 0 356.338 2.015 20 5 FEBDRM Cc1ccc(NCCCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc1 ZINC000738287293 600579747 /nfs/dbraw/zinc/57/97/47/600579747.db2.gz LMQMPVFCSPNXLU-UHFFFAOYSA-N -1 0 358.354 2.228 20 5 FEBDRM O=C([O-])[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)Cc1ccc(O)cc1 ZINC000739396953 600582994 /nfs/dbraw/zinc/58/29/94/600582994.db2.gz LVSWQGMWNKQGHK-GFCCVEGCSA-N -1 0 362.313 2.113 20 5 FEBDRM O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccc(O)cc1 ZINC000739395886 600585032 /nfs/dbraw/zinc/58/50/32/600585032.db2.gz AIDQHYALTISBIB-NSHDSACASA-N -1 0 362.313 2.113 20 5 FEBDRM COc1cc(OCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC000737903019 600590393 /nfs/dbraw/zinc/59/03/93/600590393.db2.gz UGZXIWRKNVKJJL-QGZVFWFLSA-N -1 0 374.349 2.267 20 5 FEBDRM CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737334432 600590626 /nfs/dbraw/zinc/59/06/26/600590626.db2.gz 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ZINC000261690827 601258203 /nfs/dbraw/zinc/25/82/03/601258203.db2.gz MVWOUWFJCRPDFZ-UHFFFAOYSA-N -1 0 350.780 2.170 20 5 FEBDRM CSc1nc(=O)[nH]c(C)c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832794430 601287467 /nfs/dbraw/zinc/28/74/67/601287467.db2.gz FWYKXCDASYNJRS-UHFFFAOYSA-N -1 0 364.339 2.071 20 5 FEBDRM Nc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000833090646 601319142 /nfs/dbraw/zinc/31/91/42/601319142.db2.gz AOIBOFGTTYKBOK-BAQGIRSFSA-N -1 0 363.351 2.076 20 5 FEBDRM CC[C@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC000828693159 601511615 /nfs/dbraw/zinc/51/16/15/601511615.db2.gz RMTXQHONFGYVQT-LBPRGKRZSA-N -1 0 350.780 2.088 20 5 FEBDRM COC(=O)Cc1ccccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000831188833 601615404 /nfs/dbraw/zinc/61/54/04/601615404.db2.gz KWIQHASBRBCDRT-UHFFFAOYSA-N -1 0 358.306 2.261 20 5 FEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262066464 601619436 /nfs/dbraw/zinc/61/94/36/601619436.db2.gz HXCWJUCIOBZIEQ-LBPRGKRZSA-N -1 0 366.761 2.085 20 5 FEBDRM O=C([O-])[C@]1(F)CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000262828795 601716147 /nfs/dbraw/zinc/71/61/47/601716147.db2.gz XDGZJJPAHIRXDF-FQEVSTJZSA-N -1 0 368.364 2.180 20 5 FEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833005475 601725147 /nfs/dbraw/zinc/72/51/47/601725147.db2.gz YITQVBIVUHAZAY-UHFFFAOYSA-N -1 0 351.290 2.071 20 5 FEBDRM CNc1ccc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000739755246 601873631 /nfs/dbraw/zinc/87/36/31/601873631.db2.gz IXCQLJDFNHEYBF-JQWIXIFHSA-N -1 0 350.375 2.145 20 5 FEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833004600 601911017 /nfs/dbraw/zinc/91/10/17/601911017.db2.gz CMBXESIOLONHFU-STQMWFEESA-N -1 0 352.391 2.030 20 5 FEBDRM O=C([O-])c1ccccc1Cn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000129943340 601981047 /nfs/dbraw/zinc/98/10/47/601981047.db2.gz BMMALYIINAFDGY-UHFFFAOYSA-N -1 0 353.128 2.266 20 5 FEBDRM O=C([O-])[C@@H]1CCCCCC[C@H]1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000548237184 601992547 /nfs/dbraw/zinc/99/25/47/601992547.db2.gz HARWBDXWXWETQA-HUUCEWRRSA-N -1 0 370.427 2.438 20 5 FEBDRM O=C([O-])[C@@H]1CCCCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000547938471 601992595 /nfs/dbraw/zinc/99/25/95/601992595.db2.gz XIUIBXZUIYFZGE-VXGBXAGGSA-N -1 0 356.400 2.297 20 5 FEBDRM COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000739849768 602008329 /nfs/dbraw/zinc/00/83/29/602008329.db2.gz GYKGTBTXHZHTSO-JQWIXIFHSA-N -1 0 351.359 2.254 20 5 FEBDRM Cn1ccnc1C(=O)c1ccc(NCCN(C(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000740301902 602040898 /nfs/dbraw/zinc/04/08/98/602040898.db2.gz YPGHCPBSOUEYGW-UHFFFAOYSA-N -1 0 373.369 2.114 20 5 FEBDRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739233638 602217142 /nfs/dbraw/zinc/21/71/42/602217142.db2.gz NIQWAGQSCCGMQY-ZANVPECISA-N -1 0 368.342 2.187 20 5 FEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000738998303 602263996 /nfs/dbraw/zinc/26/39/96/602263996.db2.gz DDEJXWBRLAUVKI-IUODEOHRSA-N -1 0 364.402 2.068 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740174631 602266846 /nfs/dbraw/zinc/26/68/46/602266846.db2.gz KFVHKOAFTMBQRQ-QWHCGFSZSA-N -1 0 364.402 2.352 20 5 FEBDRM Cc1cc(=O)n(CCOc2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000832858180 602310805 /nfs/dbraw/zinc/31/08/05/602310805.db2.gz JUJBYHHNCIJEAZ-UHFFFAOYSA-N -1 0 352.730 2.496 20 5 FEBDRM CCN(CC)C(=O)N1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829653873 602313257 /nfs/dbraw/zinc/31/32/57/602313257.db2.gz FYUUPSCOIPEYMD-UHFFFAOYSA-N -1 0 364.402 2.185 20 5 FEBDRM COc1cc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000832098140 602317612 /nfs/dbraw/zinc/31/76/12/602317612.db2.gz VFOUZUBKYKBTPY-UHFFFAOYSA-N -1 0 353.308 2.069 20 5 FEBDRM COc1cc(S(=O)(=O)Oc2ccccc2NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000832098010 602318136 /nfs/dbraw/zinc/31/81/36/602318136.db2.gz RECGDBANXOUISN-UHFFFAOYSA-N -1 0 368.323 2.461 20 5 FEBDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000828493250 602348785 /nfs/dbraw/zinc/34/87/85/602348785.db2.gz AOYKNHITHVUDHW-LBPRGKRZSA-N -1 0 370.365 2.039 20 5 FEBDRM CC(C)N(CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)[O-] ZINC000738847643 602356218 /nfs/dbraw/zinc/35/62/18/602356218.db2.gz XQFYFWXIWWJEHZ-UHFFFAOYSA-N -1 0 352.391 2.169 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739931053 602579564 /nfs/dbraw/zinc/57/95/64/602579564.db2.gz CBLPRSXVZJGKLT-SNVBAGLBSA-N -1 0 352.347 2.115 20 5 FEBDRM Cc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000740147941 602655487 /nfs/dbraw/zinc/65/54/87/602655487.db2.gz QQAXFIAEECEWJO-UHFFFAOYSA-N -1 0 365.367 2.472 20 5 FEBDRM Cc1c(CO)cc([N+](=O)[O-])c(NCC[C@H]2CCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740054119 602687877 /nfs/dbraw/zinc/68/78/77/602687877.db2.gz WEJXPSSLMZUCHD-JTQLQIEISA-N -1 0 368.346 2.106 20 5 FEBDRM CCOC(=O)c1ccnc(N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739477575 602780811 /nfs/dbraw/zinc/78/08/11/602780811.db2.gz FHEWOQYKUOUSAN-WDEREUQCSA-N -1 0 366.374 2.357 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000740637050 602799643 /nfs/dbraw/zinc/79/96/43/602799643.db2.gz XSJNOYDUANSDAE-ZFWWWQNUSA-N -1 0 374.397 2.492 20 5 FEBDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000739968782 602893904 /nfs/dbraw/zinc/89/39/04/602893904.db2.gz WHQQFDNUTORTPB-HNNXBMFYSA-N -1 0 359.338 2.229 20 5 FEBDRM O=C([O-])N1CCC[C@H]1COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000740718060 602927080 /nfs/dbraw/zinc/92/70/80/602927080.db2.gz AWNBONKLSNXJMV-ZDUSSCGKSA-N -1 0 360.326 2.080 20 5 FEBDRM O=C([O-])N1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740390912 603007535 /nfs/dbraw/zinc/00/75/35/603007535.db2.gz RQKBHEABZNMFAB-SNVBAGLBSA-N -1 0 355.778 2.297 20 5 FEBDRM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOC(F)(F)F)cc1Cl ZINC000809835475 674514935 /nfs/dbraw/zinc/51/49/35/674514935.db2.gz IXSSRJUHZPGABW-UHFFFAOYSA-N -1 0 366.676 2.202 20 5 FEBDRM CCOc1ccc(C(=O)N[C@@](C)(CNC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000739493051 603052873 /nfs/dbraw/zinc/05/28/73/603052873.db2.gz BFKZZUYSRSGRCK-INIZCTEOSA-N -1 0 353.375 2.406 20 5 FEBDRM Cc1c(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000740039649 603092702 /nfs/dbraw/zinc/09/27/02/603092702.db2.gz HHQUXIFBGCYYJC-GXFFZTMASA-N -1 0 351.359 2.136 20 5 FEBDRM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739151588 603148362 /nfs/dbraw/zinc/14/83/62/603148362.db2.gz HMGMGPQXKNVKAS-CYBMUJFWSA-N -1 0 364.402 2.311 20 5 FEBDRM O=C([O-])N[C@@H]1CCCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000738653003 603148418 /nfs/dbraw/zinc/14/84/18/603148418.db2.gz NKFMKYYIGCWUAO-CQSZACIVSA-N -1 0 364.402 2.359 20 5 FEBDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000825416400 603172887 /nfs/dbraw/zinc/17/28/87/603172887.db2.gz KFJWMRJIYYDGJA-SNVBAGLBSA-N -1 0 361.358 2.494 20 5 FEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736711949 603189812 /nfs/dbraw/zinc/18/98/12/603189812.db2.gz IMCCGLFXTILGON-GHMZBOCLSA-N -1 0 353.400 2.334 20 5 FEBDRM COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1SC ZINC000737902472 603194276 /nfs/dbraw/zinc/19/42/76/603194276.db2.gz MPNOGDREQKQAIT-SECBINFHSA-N -1 0 369.399 2.198 20 5 FEBDRM O=C([O-])Nc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000738661450 603227547 /nfs/dbraw/zinc/22/75/47/603227547.db2.gz LKZQNZDNAPHQQC-ZDUSSCGKSA-N -1 0 371.353 2.406 20 5 FEBDRM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000738804477 603228315 /nfs/dbraw/zinc/22/83/15/603228315.db2.gz GLLQKZSDBFHXSX-OAHLLOKOSA-N -1 0 368.346 2.305 20 5 FEBDRM C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739169572 603334407 /nfs/dbraw/zinc/33/44/07/603334407.db2.gz QPTMFAWEVFOHRS-ZWNOBZJWSA-N -1 0 362.386 2.287 20 5 FEBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000738631911 603365149 /nfs/dbraw/zinc/36/51/49/603365149.db2.gz WVOIIZRJIWSSLW-NXEZZACHSA-N -1 0 370.793 2.259 20 5 FEBDRM CC(C)(CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)NC(=O)[O-] ZINC000823941688 603448400 /nfs/dbraw/zinc/44/84/00/603448400.db2.gz WBYGXMGOPZVKJF-UHFFFAOYSA-N -1 0 362.289 2.364 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1OC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000832520653 603470733 /nfs/dbraw/zinc/47/07/33/603470733.db2.gz FKGMAJPNRCPTDE-SMDDNHRTSA-N -1 0 352.343 2.343 20 5 FEBDRM CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827774193 603483314 /nfs/dbraw/zinc/48/33/14/603483314.db2.gz GDBMSRPINNJRGK-UHFFFAOYSA-N -1 0 369.349 2.150 20 5 FEBDRM COc1ccc(CC(=O)O[C@@H]2CCC[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000829343372 603488445 /nfs/dbraw/zinc/48/84/45/603488445.db2.gz WVQUKSHABCDCLX-DGCLKSJQSA-N -1 0 352.343 2.125 20 5 FEBDRM CC(C)(CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)NC(=O)[O-] ZINC000824011573 603521041 /nfs/dbraw/zinc/52/10/41/603521041.db2.gz UJBHNPXWVXXKEV-UHFFFAOYSA-N -1 0 350.375 2.289 20 5 FEBDRM CCN(CC1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827105499 603526125 /nfs/dbraw/zinc/52/61/25/603526125.db2.gz ZALUVNRGGVTYIQ-UHFFFAOYSA-N -1 0 364.402 2.171 20 5 FEBDRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000832298133 603537128 /nfs/dbraw/zinc/53/71/28/603537128.db2.gz RUXFUJYTXKEWTK-QWRGUYRKSA-N -1 0 359.342 2.155 20 5 FEBDRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000832279976 603537448 /nfs/dbraw/zinc/53/74/48/603537448.db2.gz UDPVDQRHMKBOAX-QWRGUYRKSA-N -1 0 359.342 2.360 20 5 FEBDRM CC[C@@H](NC(=O)NCCN(C(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000826613924 603644927 /nfs/dbraw/zinc/64/49/27/603644927.db2.gz UZCSICDRJUDBPV-CQSZACIVSA-N -1 0 350.375 2.488 20 5 FEBDRM C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1CNC(=O)[O-] ZINC000825914199 603654061 /nfs/dbraw/zinc/65/40/61/603654061.db2.gz YERLPGBXPNBYAI-TVQRCGJNSA-N -1 0 366.330 2.011 20 5 FEBDRM C[C@H](NC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000825083346 603670319 /nfs/dbraw/zinc/67/03/19/603670319.db2.gz POLFMOOCOQCDSP-KWBADKCTSA-N -1 0 351.359 2.275 20 5 FEBDRM CC(C)(NC(=O)N[C@@H](CNC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000824020914 603858937 /nfs/dbraw/zinc/85/89/37/603858937.db2.gz ZUNAEDVKHPILQG-ZDUSSCGKSA-N -1 0 350.375 2.175 20 5 FEBDRM O=C([O-])NCCCOC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000832629989 603998694 /nfs/dbraw/zinc/99/86/94/603998694.db2.gz RJSKCDWFBSORKE-UHFFFAOYSA-N -1 0 369.349 2.013 20 5 FEBDRM C[C@@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)NC(=O)[O-] ZINC000824787522 604187421 /nfs/dbraw/zinc/18/74/21/604187421.db2.gz YUVJONFDKPKASP-QMMMGPOBSA-N -1 0 374.191 2.062 20 5 FEBDRM CC(C)(CNC(=O)[O-])NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000823990415 604237094 /nfs/dbraw/zinc/23/70/94/604237094.db2.gz CCBJOIKCQSSUIE-UHFFFAOYSA-N -1 0 360.164 2.133 20 5 FEBDRM CC1(C)COCCN1CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000828077847 604263202 /nfs/dbraw/zinc/26/32/02/604263202.db2.gz AYZZWVOHYOQAKG-UHFFFAOYSA-N -1 0 357.794 2.469 20 5 FEBDRM Cc1nc2n(n1)C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000833008030 604263935 /nfs/dbraw/zinc/26/39/35/604263935.db2.gz VHBUFYJJSICAGR-QMMMGPOBSA-N -1 0 351.750 2.273 20 5 FEBDRM O=C([O-])c1ccccc1OS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000833334769 604397221 /nfs/dbraw/zinc/39/72/21/604397221.db2.gz GMAVWBNLXXWVRA-UHFFFAOYSA-N -1 0 351.336 2.244 20 5 FEBDRM CCC(CC)(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(=O)[O-] ZINC000828849201 604408489 /nfs/dbraw/zinc/40/84/89/604408489.db2.gz QVNQVFWALFAQHI-UHFFFAOYSA-N -1 0 364.807 2.478 20 5 FEBDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000828671146 604408692 /nfs/dbraw/zinc/40/86/92/604408692.db2.gz ARVQECFCQWMJFI-ZDUSSCGKSA-N -1 0 364.807 2.478 20 5 FEBDRM CS[C@@H]1CCCCN(c2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000832748257 604464386 /nfs/dbraw/zinc/46/43/86/604464386.db2.gz ZDGHQNIUBOKYKQ-GFCCVEGCSA-N -1 0 367.427 2.131 20 5 FEBDRM CC(=O)c1ccc(OS(=O)(=O)c2cc(C(=O)[O-])oc2C)c([N+](=O)[O-])c1 ZINC000833401834 604508991 /nfs/dbraw/zinc/50/89/91/604508991.db2.gz PLSAFYMGZSUUTD-UHFFFAOYSA-N -1 0 369.307 2.165 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000776694962 604515004 /nfs/dbraw/zinc/51/50/04/604515004.db2.gz XXTRSHQSJNUSOR-SECBINFHSA-N -1 0 362.791 2.184 20 5 FEBDRM CCc1[nH]c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000830197515 604589033 /nfs/dbraw/zinc/58/90/33/604589033.db2.gz WMFVCTSHAZWUOF-UHFFFAOYSA-N -1 0 360.370 2.334 20 5 FEBDRM NC(=O)c1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c([N+](=O)[O-])c1 ZINC000591445555 604772626 /nfs/dbraw/zinc/77/26/26/604772626.db2.gz 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Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000760217515 680680114 /nfs/dbraw/zinc/68/01/14/680680114.db2.gz IDEOLENPSVZASD-UHFFFAOYSA-N -1 0 363.395 2.081 20 5 FEBDRM COc1ccccc1CS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000760358058 680684051 /nfs/dbraw/zinc/68/40/51/680684051.db2.gz PIJPITPMZVYVIT-UHFFFAOYSA-N -1 0 364.379 2.172 20 5 FEBDRM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000912487687 685383191 /nfs/dbraw/zinc/38/31/91/685383191.db2.gz GXKOQMYXTPFINL-JTQLQIEISA-N -1 0 361.320 2.399 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2OC)cnc1Cl ZINC000767700645 680922876 /nfs/dbraw/zinc/92/28/76/680922876.db2.gz GWXLQAXNNVUKAO-UHFFFAOYSA-N -1 0 373.774 2.461 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H](C)c2ccco2)cccc1[N+](=O)[O-] ZINC000842407542 680945010 /nfs/dbraw/zinc/94/50/10/680945010.db2.gz WOUZCMRGSPDCST-NSHDSACASA-N -1 0 352.368 2.246 20 5 FEBDRM O=C(/C=C/C1CC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842451455 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BJQMIXZLAJFKDD-CQSZACIVSA-N -1 0 368.342 2.119 20 5 FEBDRM CC[C@@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000843299650 680996781 /nfs/dbraw/zinc/99/67/81/680996781.db2.gz YNPBZMBMZRSXPI-KOLCDFICSA-N -1 0 360.363 2.059 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C1CC1 ZINC000769868818 680997890 /nfs/dbraw/zinc/99/78/90/680997890.db2.gz CPULIZKNTYHVIR-UHFFFAOYSA-N -1 0 352.372 2.015 20 5 FEBDRM CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843767746 681017192 /nfs/dbraw/zinc/01/71/92/681017192.db2.gz MEODHPJACIBRKN-JTQLQIEISA-N -1 0 371.777 2.305 20 5 FEBDRM CC1([C@@H]2CCCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C2)OCCO1 ZINC000844208845 681044704 /nfs/dbraw/zinc/04/47/04/681044704.db2.gz PSARFOYVTKVUOJ-CYBMUJFWSA-N -1 0 350.371 2.201 20 5 FEBDRM CC[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCN1CC(F)F ZINC000844211499 681044841 /nfs/dbraw/zinc/04/48/41/681044841.db2.gz BATJSQYAUUMLOV-LBPRGKRZSA-N -1 0 357.357 2.388 20 5 FEBDRM 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COC(=O)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000600409382 673765206 /nfs/dbraw/zinc/76/52/06/673765206.db2.gz ZJLPWDONYMZNGS-ZDUSSCGKSA-N -1 0 350.371 2.400 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)n1 ZINC000600634275 673784267 /nfs/dbraw/zinc/78/42/67/673784267.db2.gz FQNSIXMXGGPZOH-UHFFFAOYSA-N -1 0 354.388 2.132 20 5 FEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000744295063 673791190 /nfs/dbraw/zinc/79/11/90/673791190.db2.gz IROYBYKVCJLMFQ-UHFFFAOYSA-N -1 0 364.379 2.042 20 5 FEBDRM Cc1ccc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000546263082 673798762 /nfs/dbraw/zinc/79/87/62/673798762.db2.gz GEVTZALNWUAGEO-UHFFFAOYSA-N -1 0 364.379 2.422 20 5 FEBDRM C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000546262590 673798786 /nfs/dbraw/zinc/79/87/86/673798786.db2.gz QJAGUUOHLBSMCN-JTQLQIEISA-N -1 0 365.367 2.070 20 5 FEBDRM CO[C@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)[C@@](C)(C(=O)[O-])C1 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FXZFBYZVLSFYMK-HNNXBMFYSA-N -1 0 364.379 2.149 20 5 FEBDRM Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000548533454 673966910 /nfs/dbraw/zinc/96/69/10/673966910.db2.gz IHUKAOFWMOGIIN-NSHDSACASA-N -1 0 358.416 2.319 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c1C ZINC000548548798 673969590 /nfs/dbraw/zinc/96/95/90/673969590.db2.gz LMEDCOZNUNHLBO-SWLSCSKDSA-N -1 0 356.400 2.133 20 5 FEBDRM O=C([O-])c1c(NS(=O)(=O)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000548549001 673969680 /nfs/dbraw/zinc/96/96/80/673969680.db2.gz MGFXRVACOPPMJR-UHFFFAOYSA-N -1 0 354.315 2.374 20 5 FEBDRM O=C([O-])[C@@H](CC1CCCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000548553515 673970750 /nfs/dbraw/zinc/97/07/50/673970750.db2.gz BEFZWRZDVCMCRB-CQSZACIVSA-N -1 0 370.427 2.090 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000548560376 673972182 /nfs/dbraw/zinc/97/21/82/673972182.db2.gz WVQHNOIHEXDKOT-UHFFFAOYSA-N -1 0 356.400 2.311 20 5 FEBDRM C[C@@H]1CCC[C@](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC000548837053 673999946 /nfs/dbraw/zinc/99/99/46/673999946.db2.gz FZSJTYWIKUJOED-IAQYHMDHSA-N -1 0 356.400 2.048 20 5 FEBDRM C[C@H]1CCC[C@@](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)(C(=O)[O-])C1 ZINC000548837055 674000062 /nfs/dbraw/zinc/00/00/62/674000062.db2.gz FZSJTYWIKUJOED-NHYWBVRUSA-N -1 0 356.400 2.048 20 5 FEBDRM Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566282713 675200795 /nfs/dbraw/zinc/20/07/95/675200795.db2.gz OOCTXVDOOGKGGU-LLVKDONJSA-N -1 0 350.762 2.495 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C(C)(C)C ZINC000615565800 676220051 /nfs/dbraw/zinc/22/00/51/676220051.db2.gz BYIPOFAKPXRRSR-UHFFFAOYSA-N -1 0 354.388 2.356 20 5 FEBDRM C[C@@]1(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CCOC1 ZINC000827384707 675752244 /nfs/dbraw/zinc/75/22/44/675752244.db2.gz VJYKLWNDHKIVHM-OAHLLOKOSA-N -1 0 366.761 2.048 20 5 FEBDRM CC(C)OCCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] 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UUBVJMYYIDEPKD-UHFFFAOYSA-N -1 0 360.351 2.171 20 5 FEBDRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC000619744059 676392938 /nfs/dbraw/zinc/39/29/38/676392938.db2.gz ZSUDURLSHOFHQC-QMMMGPOBSA-N -1 0 356.381 2.394 20 5 FEBDRM Cc1c(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000830841681 677064431 /nfs/dbraw/zinc/06/44/31/677064431.db2.gz RYXVQTUWXCFBBU-AWEZNQCLSA-N -1 0 359.304 2.186 20 5 FEBDRM COCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)CCCC1 ZINC000838781475 680719041 /nfs/dbraw/zinc/71/90/41/680719041.db2.gz KIBUCYWIELQUBP-UHFFFAOYSA-N -1 0 370.427 2.223 20 5 FEBDRM C[C@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000838816732 680720975 /nfs/dbraw/zinc/72/09/75/680720975.db2.gz HYFVBUGECCNQJW-ZCFIWIBFSA-N -1 0 358.269 2.127 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000761430049 680723176 /nfs/dbraw/zinc/72/31/76/680723176.db2.gz TZNMOXCGSGXEFO-SNVBAGLBSA-N -1 0 356.400 2.235 20 5 FEBDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC ZINC000838934239 680728052 /nfs/dbraw/zinc/72/80/52/680728052.db2.gz SLOLWRKBKBQDOB-LLVKDONJSA-N -1 0 373.431 2.037 20 5 FEBDRM O=C(/C=C\c1ccsc1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762736089 680760139 /nfs/dbraw/zinc/76/01/39/680760139.db2.gz OLNMBSLRMACHKL-UTCJRWHESA-N -1 0 366.420 2.358 20 5 FEBDRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762730693 680760163 /nfs/dbraw/zinc/76/01/63/680760163.db2.gz HNTKJWGOCALDJV-UHFFFAOYSA-N -1 0 364.423 2.330 20 5 FEBDRM CC(C)(C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000763010551 680768615 /nfs/dbraw/zinc/76/86/15/680768615.db2.gz FBOYWGUSUTXJJQ-UHFFFAOYSA-N -1 0 358.391 2.400 20 5 FEBDRM O=C(Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000748976875 680013377 /nfs/dbraw/zinc/01/33/77/680013377.db2.gz XHQMSSKHILMWOK-UHFFFAOYSA-N -1 0 370.333 2.062 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cc2sccc2s1 ZINC000750761079 680131828 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COC(=O)c1cc(OC(=O)Cc2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000737665969 600994955 /nfs/dbraw/zinc/99/49/55/600994955.db2.gz QZYQPXHXORJACA-UHFFFAOYSA-N -1 0 359.290 2.228 20 5 FEBDRM O=C([O-])C[C@H]1CSCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000833223922 601016890 /nfs/dbraw/zinc/01/68/90/601016890.db2.gz ZGLXBBWDWDOKFT-LBPRGKRZSA-N -1 0 364.383 2.037 20 5 FEBDRM O=C([O-])C[C@H]1CSCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833222346 601021327 /nfs/dbraw/zinc/02/13/27/601021327.db2.gz WXUHAMRQACRFCU-JTQLQIEISA-N -1 0 373.818 2.079 20 5 FEBDRM O=C([O-])c1cnc(N(C(=O)COc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000740258624 601038627 /nfs/dbraw/zinc/03/86/27/601038627.db2.gz GYOWQUVTOBNVQK-UHFFFAOYSA-N -1 0 363.351 2.324 20 5 FEBDRM Cc1c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000738169858 601071712 /nfs/dbraw/zinc/07/17/12/601071712.db2.gz XTMLETPCDXQAHS-AWEZNQCLSA-N -1 0 373.321 2.410 20 5 FEBDRM O=C([O-])[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000739252822 601081659 /nfs/dbraw/zinc/08/16/59/601081659.db2.gz ZIMBEAXRRRBBHN-AWEZNQCLSA-N -1 0 358.350 2.348 20 5 FEBDRM Cc1nn(C)c(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000598661947 601089608 /nfs/dbraw/zinc/08/96/08/601089608.db2.gz PHXDCTVEGRHNPD-STQMWFEESA-N -1 0 364.402 2.132 20 5 FEBDRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000826805990 601120024 /nfs/dbraw/zinc/12/00/24/601120024.db2.gz BGEWXTBHWWMIDD-JQWIXIFHSA-N -1 0 367.358 2.147 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832973204 601179659 /nfs/dbraw/zinc/17/96/59/601179659.db2.gz ZXISMBNGQKKGQX-NEPJUHHUSA-N -1 0 364.354 2.276 20 5 FEBDRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000827825495 601189329 /nfs/dbraw/zinc/18/93/29/601189329.db2.gz FWJIPZKPXQIYQW-SDDRHHMPSA-N -1 0 364.354 2.356 20 5 FEBDRM Cc1cc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)ncc1[N+](=O)[O-] ZINC000832897459 601202034 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356.400 2.277 20 5 FEBDRM CCC[C@](C)(NC(=O)[O-])C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739294708 602221035 /nfs/dbraw/zinc/22/10/35/602221035.db2.gz CVVRATJMZSLKMY-INIZCTEOSA-N -1 0 368.342 2.331 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740097849 602268820 /nfs/dbraw/zinc/26/88/20/602268820.db2.gz IKSTUZIJXPCZAO-DGCLKSJQSA-N -1 0 371.415 2.103 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000740148394 602270116 /nfs/dbraw/zinc/27/01/16/602270116.db2.gz SANQYCBOKIWZCN-AAEUAGOBSA-N -1 0 371.415 2.103 20 5 FEBDRM O=C([O-])NC1(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000740543983 602285700 /nfs/dbraw/zinc/28/57/00/602285700.db2.gz BFNWSZJPDRILGO-UHFFFAOYSA-N -1 0 350.327 2.291 20 5 FEBDRM Cc1nn(CCC(=O)OC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000740254864 602288974 /nfs/dbraw/zinc/28/89/74/602288974.db2.gz WAEDXPVICNCWNS-FUNVUKJBSA-N -1 0 366.374 2.015 20 5 FEBDRM Cc1cc(N[C@H]2CCCN(c3ncccn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579958164 602313359 /nfs/dbraw/zinc/31/33/59/602313359.db2.gz SWTLJFMHEGVCTL-LBPRGKRZSA-N -1 0 357.370 2.472 20 5 FEBDRM Cc1cc(NCc2ccnc(N3CCOCC3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581550683 602313618 /nfs/dbraw/zinc/31/36/18/602313618.db2.gz LAASTNWVLOQUON-UHFFFAOYSA-N -1 0 372.381 2.445 20 5 FEBDRM Cc1cc(C)n(C[C@@H]2CN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CCO2)n1 ZINC000579843792 602316378 /nfs/dbraw/zinc/31/63/78/602316378.db2.gz VTLMSWZYFTYNJP-HNNXBMFYSA-N -1 0 374.397 2.320 20 5 FEBDRM COc1cc(S(=O)(=O)Oc2ccsc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000832098128 602318141 /nfs/dbraw/zinc/31/81/41/602318141.db2.gz UYRDNGMRGVKSPU-UHFFFAOYSA-N -1 0 359.337 2.131 20 5 FEBDRM O=C([O-])NC1CCC(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000740553316 602320474 /nfs/dbraw/zinc/32/04/74/602320474.db2.gz RZSQWUAHHPVWCG-UHFFFAOYSA-N -1 0 374.357 2.145 20 5 FEBDRM C[C@@H](NC(=O)c1ccc(N[C@H](C)C2CCOCC2)c([N+](=O)[O-])c1)C(=O)[O-] 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ZINC000601827791 673898259 /nfs/dbraw/zinc/89/82/59/673898259.db2.gz XCQPACDEZUDTRI-JTQLQIEISA-N -1 0 350.705 2.450 20 5 FEBDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547897449 673899783 /nfs/dbraw/zinc/89/97/83/673899783.db2.gz RTBRPCTXPKKQRU-SNVBAGLBSA-N -1 0 370.408 2.320 20 5 FEBDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-] ZINC000547931703 673906302 /nfs/dbraw/zinc/90/63/02/673906302.db2.gz HRGTVKTZBYVVIY-PWSUYJOCSA-N -1 0 374.415 2.161 20 5 FEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547937988 673907358 /nfs/dbraw/zinc/90/73/58/673907358.db2.gz IUUIVRRZCDRYKI-SMDDNHRTSA-N -1 0 358.416 2.294 20 5 FEBDRM CC(C)N([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000548218306 673936632 /nfs/dbraw/zinc/93/66/32/673936632.db2.gz IWUCYJVWBVYORD-JTQLQIEISA-N -1 0 367.383 2.015 20 5 FEBDRM O=C([O-])c1c(NS(=O)(=O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000548223028 673937323 /nfs/dbraw/zinc/93/73/23/673937323.db2.gz APVGPDXEKBYLIC-UHFFFAOYSA-N -1 0 354.315 2.374 20 5 FEBDRM CC(C)(C)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000548541534 673968215 /nfs/dbraw/zinc/96/82/15/673968215.db2.gz DUWYUOLMUFHOTL-LBPRGKRZSA-N -1 0 358.416 2.151 20 5 FEBDRM CC[C@H](C)[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000548579350 673975678 /nfs/dbraw/zinc/97/56/78/673975678.db2.gz QPFWGNIAKFOPDX-ZANVPECISA-N -1 0 358.416 2.331 20 5 FEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000548593279 673977825 /nfs/dbraw/zinc/97/78/25/673977825.db2.gz SUOYJUVEMAFOHX-JQWIXIFHSA-N -1 0 358.416 2.461 20 5 FEBDRM CCC[C@H](C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000548593277 673977840 /nfs/dbraw/zinc/97/78/40/673977840.db2.gz SUOYJUVEMAFOHX-CMPLNLGQSA-N -1 0 358.416 2.461 20 5 FEBDRM Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566282715 675200799 /nfs/dbraw/zinc/20/07/99/675200799.db2.gz OOCTXVDOOGKGGU-NSHDSACASA-N -1 0 350.762 2.495 20 5 FEBDRM O=C([O-])CC1(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000567799108 675324341 /nfs/dbraw/zinc/32/43/41/675324341.db2.gz AOWLXNLOYFTOOR-UHFFFAOYSA-N -1 0 370.427 2.234 20 5 FEBDRM O=C([O-])c1cccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000568008263 675343948 /nfs/dbraw/zinc/34/39/48/675343948.db2.gz RNZDXLYDJLCTCD-PHIMTYICSA-N -1 0 354.384 2.104 20 5 FEBDRM O=c1c(Br)cn(Cc2cc([O-])ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000821084058 675412332 /nfs/dbraw/zinc/41/23/32/675412332.db2.gz JCIPMZSDESMPKK-UHFFFAOYSA-N -1 0 370.115 2.181 20 5 FEBDRM COC[C@@H](C)CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000825554140 675658389 /nfs/dbraw/zinc/65/83/89/675658389.db2.gz JSUOFZMDDNBUAQ-VIFPVBQESA-N -1 0 368.777 2.152 20 5 FEBDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000603552472 675799899 /nfs/dbraw/zinc/79/98/99/675799899.db2.gz KGTWTPRXPDQEHS-CYBMUJFWSA-N -1 0 364.379 2.398 20 5 FEBDRM CC(C)Oc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000603985593 675802602 /nfs/dbraw/zinc/80/26/02/675802602.db2.gz WPPVZLBXIQKNIX-UHFFFAOYSA-N -1 0 353.356 2.283 20 5 FEBDRM Cc1ccc(OCCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000604480293 675805237 /nfs/dbraw/zinc/80/52/37/675805237.db2.gz XNBXYECBPSOGOX-UHFFFAOYSA-N -1 0 366.395 2.275 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000616332619 676246409 /nfs/dbraw/zinc/24/64/09/676246409.db2.gz MNNTULYBFQVUJO-GFCCVEGCSA-N -1 0 356.400 2.230 20 5 FEBDRM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000617201583 676274628 /nfs/dbraw/zinc/27/46/28/676274628.db2.gz HZTPMYXWTPTDGX-UHFFFAOYSA-N -1 0 367.383 2.436 20 5 FEBDRM COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1O ZINC000619468053 676378219 /nfs/dbraw/zinc/37/82/19/676378219.db2.gz UJCONABKOQSQKM-UHFFFAOYSA-N -1 0 354.340 2.118 20 5 FEBDRM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000830784021 677060319 /nfs/dbraw/zinc/06/03/19/677060319.db2.gz DBCNHCXJCQDWPI-CYBMUJFWSA-N -1 0 363.267 2.017 20 5 FEBDRM CCc1oc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000761055277 680709027 /nfs/dbraw/zinc/70/90/27/680709027.db2.gz CXHBECITRIWNPO-UHFFFAOYSA-N -1 0 352.368 2.486 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000761428278 680723047 /nfs/dbraw/zinc/72/30/47/680723047.db2.gz NSQZAEKEQWOCSF-YFHOEESVSA-N -1 0 362.363 2.122 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C2\CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000761427082 680723057 /nfs/dbraw/zinc/72/30/57/680723057.db2.gz FGPKMGXMCGSVAB-NGPGYTDTSA-N -1 0 354.384 2.155 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000761430640 680723184 /nfs/dbraw/zinc/72/31/84/680723184.db2.gz GEAVENQLUNJDKP-UHFFFAOYSA-N -1 0 372.305 2.000 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1CC1(C)C ZINC000839062995 680735122 /nfs/dbraw/zinc/73/51/22/680735122.db2.gz WJFMENWOLJUTKA-LLVKDONJSA-N -1 0 355.416 2.268 20 5 FEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CCC1 ZINC000839077690 680736375 /nfs/dbraw/zinc/73/63/75/680736375.db2.gz SRELXKSZWGUNNP-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM O=C(CC1CCSCC1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000762068777 680739793 /nfs/dbraw/zinc/73/97/93/680739793.db2.gz XZZZHUSIQHRSOQ-UHFFFAOYSA-N -1 0 362.404 2.072 20 5 FEBDRM Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000762736916 680760101 /nfs/dbraw/zinc/76/01/01/680760101.db2.gz RGVZXSDNPAVCJM-LBPRGKRZSA-N -1 0 366.395 2.288 20 5 FEBDRM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000762730702 680760169 /nfs/dbraw/zinc/76/01/69/680760169.db2.gz ICCCLDBCXACHTA-PBBNAPBQSA-N -1 0 352.412 2.330 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000764042552 680798914 /nfs/dbraw/zinc/79/89/14/680798914.db2.gz FKFRCAPCPYPLBB-VIFPVBQESA-N -1 0 369.786 2.252 20 5 FEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c(F)cc1F ZINC000749038668 680016375 /nfs/dbraw/zinc/01/63/75/680016375.db2.gz KKPVNBVAFLYVBM-UHFFFAOYSA-N -1 0 362.335 2.362 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c1 ZINC000832581005 680152342 /nfs/dbraw/zinc/15/23/42/680152342.db2.gz YYIDAAUEFUNSSV-SECBINFHSA-N -1 0 366.798 2.482 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2(C3CCC3)CCC2)c([N+](=O)[O-])c1 ZINC000835035067 680288838 /nfs/dbraw/zinc/28/88/38/680288838.db2.gz GMZLYAFPVKVUOH-UHFFFAOYSA-N -1 0 368.411 2.379 20 5 FEBDRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000835035909 680289091 /nfs/dbraw/zinc/28/90/91/680289091.db2.gz MUXWLBWGYPGKFU-NSHDSACASA-N -1 0 358.416 2.481 20 5 FEBDRM Cc1cnc(CCCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000835076694 680293770 /nfs/dbraw/zinc/29/37/70/680293770.db2.gz CZZDXHSOFJFCDR-UHFFFAOYSA-N -1 0 367.383 2.027 20 5 FEBDRM CC[C@@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000835156080 680301913 /nfs/dbraw/zinc/30/19/13/680301913.db2.gz PIKJMKVRIJXLBT-LURJTMIESA-N -1 0 360.335 2.440 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(C(F)(F)F)CCC1 ZINC000835232022 680309067 /nfs/dbraw/zinc/30/90/67/680309067.db2.gz PFBIMVIOHSKCET-UHFFFAOYSA-N -1 0 370.280 2.271 20 5 FEBDRM Cc1ncc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000755865799 680440718 /nfs/dbraw/zinc/44/07/18/680440718.db2.gz GBMYDRDBUPPOQE-UHFFFAOYSA-N -1 0 369.424 2.142 20 5 FEBDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000755909047 680444103 /nfs/dbraw/zinc/44/41/03/680444103.db2.gz DJWQLGDEFIXIDC-UHFFFAOYSA-N -1 0 368.342 2.251 20 5 FEBDRM CC(C)C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837283300 680579925 /nfs/dbraw/zinc/57/99/25/680579925.db2.gz CAUKNHJSPNZUGD-SECBINFHSA-N -1 0 368.770 2.165 20 5 FEBDRM O=C([O-])CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000837292551 680582691 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0 351.384 2.108 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000842452256 680947934 /nfs/dbraw/zinc/94/79/34/680947934.db2.gz QUGQLBAERBLHBF-ZETCQYMHSA-N -1 0 366.317 2.465 20 5 FEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)/C=C\C2CCCC2)cc1[N+](=O)[O-] ZINC000842722345 680962056 /nfs/dbraw/zinc/96/20/56/680962056.db2.gz PMHWGHQVPZFUQN-WAYWQWQTSA-N -1 0 373.818 2.382 20 5 FEBDRM CCNC(=O)c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768861533 680962084 /nfs/dbraw/zinc/96/20/84/680962084.db2.gz LJFYUIYJGAEWNP-UHFFFAOYSA-N -1 0 355.397 2.207 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866139 680962465 /nfs/dbraw/zinc/96/24/65/680962465.db2.gz JGRSACQLZMSCEO-UHFFFAOYSA-N -1 0 359.341 2.374 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000769670320 680991054 /nfs/dbraw/zinc/99/10/54/680991054.db2.gz CXTNIHSFBCMODP-UHFFFAOYSA-N -1 0 364.335 2.075 20 5 FEBDRM 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352.434 2.208 20 5 FEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000785086418 682272569 /nfs/dbraw/zinc/27/25/69/682272569.db2.gz FOFBXDFMJSZBKL-MRVPVSSYSA-N -1 0 362.429 2.183 20 5 FEBDRM O=C([O-])[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000853025325 682365095 /nfs/dbraw/zinc/36/50/95/682365095.db2.gz YHDLPCAZJCVHPA-SNVBAGLBSA-N -1 0 362.791 2.027 20 5 FEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000786772115 682403527 /nfs/dbraw/zinc/40/35/27/682403527.db2.gz LZPXMZLMCBUIKJ-NSHDSACASA-N -1 0 366.267 2.480 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)o1 ZINC000788218066 682512354 /nfs/dbraw/zinc/51/23/54/682512354.db2.gz YEFOVOCUOGQDKN-UHFFFAOYSA-N -1 0 360.731 2.429 20 5 FEBDRM CNc1c(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)cccc1[N+](=O)[O-] ZINC000793112953 682864521 /nfs/dbraw/zinc/86/45/21/682864521.db2.gz PAZYXELTURWMLI-KHPPLWFESA-N -1 0 361.379 2.367 20 5 FEBDRM 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JASIBFNOVNYXCE-HNNXBMFYSA-N -1 0 364.379 2.293 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000158600917 545875579 /nfs/dbraw/zinc/87/55/79/545875579.db2.gz PAZDWMVDRGDXQE-UHFFFAOYSA-N -1 0 373.394 2.344 20 5 FEBDRM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1n[nH]c(C(F)(F)F)n1 ZINC000158656294 545882090 /nfs/dbraw/zinc/88/20/90/545882090.db2.gz OUAWAORCOGHHNC-UHFFFAOYSA-N -1 0 354.248 2.394 20 5 FEBDRM COC[C@@](C)([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F ZINC000479144105 561182650 /nfs/dbraw/zinc/18/26/50/561182650.db2.gz WPHLEYOICXXTLI-LLVKDONJSA-N -1 0 356.322 2.149 20 5 FEBDRM COC[C@](C)([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(F)(F)F ZINC000479144107 561182752 /nfs/dbraw/zinc/18/27/52/561182752.db2.gz WPHLEYOICXXTLI-NSHDSACASA-N -1 0 356.322 2.149 20 5 FEBDRM CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182610 546238866 /nfs/dbraw/zinc/23/88/66/546238866.db2.gz RIVTYFFIBJIFFB-UHFFFAOYSA-N -1 0 363.395 2.454 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c1C ZINC000479978449 561200439 /nfs/dbraw/zinc/20/04/39/561200439.db2.gz GMLXKTLGXDWJAO-UHFFFAOYSA-N -1 0 350.400 2.473 20 5 FEBDRM COC(=O)c1nscc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480020662 561201476 /nfs/dbraw/zinc/20/14/76/561201476.db2.gz YPSZSKSIAUCXQB-UHFFFAOYSA-N -1 0 371.396 2.256 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1sc(C)nc1C ZINC000176840901 546494915 /nfs/dbraw/zinc/49/49/15/546494915.db2.gz XRFUFSXDOGUDLV-UHFFFAOYSA-N -1 0 357.413 2.155 20 5 FEBDRM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc([C@H]2CCCO2)[nH]n1 ZINC000481849290 561243715 /nfs/dbraw/zinc/24/37/15/561243715.db2.gz QQLRPBAQQGSEKR-CQSZACIVSA-N -1 0 366.399 2.154 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)[nH]n2)c([N+](=O)[O-])c1 ZINC000481844613 561243873 /nfs/dbraw/zinc/24/38/73/561243873.db2.gz GIEHFXBCJYLBLX-NSHDSACASA-N -1 0 366.399 2.321 20 5 FEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000179490401 546964963 /nfs/dbraw/zinc/96/49/63/546964963.db2.gz ZDWOJROQGJXXAV-HNNXBMFYSA-N -1 0 355.350 2.178 20 5 FEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1n[nH]c(=O)c2ccccc21 ZINC000180787981 547179353 /nfs/dbraw/zinc/17/93/53/547179353.db2.gz XSBVTNLPHAHKHN-UHFFFAOYSA-N -1 0 360.713 2.443 20 5 FEBDRM O=C(CNC(=O)c1cccs1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180788305 547179592 /nfs/dbraw/zinc/17/95/92/547179592.db2.gz WYLOTXWUGYRYQI-UHFFFAOYSA-N -1 0 355.759 2.384 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c([N+](=O)[O-])n1 ZINC000484626835 561301537 /nfs/dbraw/zinc/30/15/37/561301537.db2.gz CZYQKBQPWGLKLO-UHFFFAOYSA-N -1 0 362.367 2.471 20 5 FEBDRM C[C@@H](c1nccs1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000185695784 548021303 /nfs/dbraw/zinc/02/13/03/548021303.db2.gz XNURACJNJGNFDF-NSHDSACASA-N -1 0 362.411 2.276 20 5 FEBDRM O=C([O-])[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000485955267 561333455 /nfs/dbraw/zinc/33/34/55/561333455.db2.gz IOTDPOORDQJMON-LBPRGKRZSA-N -1 0 368.349 2.144 20 5 FEBDRM O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000194746325 548526518 /nfs/dbraw/zinc/52/65/18/548526518.db2.gz JGAGQGHPBHZNIH-UHFFFAOYSA-N -1 0 363.757 2.114 20 5 FEBDRM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)c1 ZINC000195156983 548585798 /nfs/dbraw/zinc/58/57/98/548585798.db2.gz GEJSAPBYUGNGPI-UHFFFAOYSA-N -1 0 364.408 2.339 20 5 FEBDRM Cc1nn(Cc2ccc(C(=O)NCC(C)(C)C(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000237876926 548860352 /nfs/dbraw/zinc/86/03/52/548860352.db2.gz CTVAGSVKHVFQHX-UHFFFAOYSA-N -1 0 374.397 2.297 20 5 FEBDRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000238025246 548872629 /nfs/dbraw/zinc/87/26/29/548872629.db2.gz MROIYECVCNZLCS-QGZVFWFLSA-N -1 0 369.377 2.435 20 5 FEBDRM COC[C@H](C)n1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000489049014 561402317 /nfs/dbraw/zinc/40/23/17/561402317.db2.gz XBDINVMDJMFQAX-NSHDSACASA-N -1 0 354.388 2.108 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)N2CCc3cccc(F)c32)ccc1[N+](=O)[O-] ZINC000489546518 561413917 /nfs/dbraw/zinc/41/39/17/561413917.db2.gz BYUVCPHAJSMZIF-UHFFFAOYSA-N -1 0 366.326 2.184 20 5 FEBDRM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C2=O ZINC000489920411 561422403 /nfs/dbraw/zinc/42/24/03/561422403.db2.gz BUOVAXVIJZRTAO-SNVBAGLBSA-N -1 0 369.333 2.232 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000261728796 549748700 /nfs/dbraw/zinc/74/87/00/549748700.db2.gz RKNWPCHLHMZYSU-XBFCOCLRSA-N -1 0 368.411 2.310 20 5 FEBDRM COc1cc(C(=O)NC[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000262122362 549791177 /nfs/dbraw/zinc/79/11/77/549791177.db2.gz GVVYUFMFVBQBEX-ZETCQYMHSA-N -1 0 362.285 2.045 20 5 FEBDRM O=C([O-])C[C@H]1COCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262286053 549806191 /nfs/dbraw/zinc/80/61/91/549806191.db2.gz WSHLZCJPBLAIGV-NSHDSACASA-N -1 0 350.352 2.125 20 5 FEBDRM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000263042832 549873442 /nfs/dbraw/zinc/87/34/42/549873442.db2.gz NKGBOAQQAVPCMX-QWHCGFSZSA-N -1 0 350.371 2.422 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000263053389 549874256 /nfs/dbraw/zinc/87/42/56/549874256.db2.gz FCNGUYQDHRVZDZ-QGZVFWFLSA-N -1 0 366.370 2.329 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000269189137 550165067 /nfs/dbraw/zinc/16/50/67/550165067.db2.gz WGVMUJYVMSUPGE-DOTOQJQBSA-N -1 0 372.377 2.265 20 5 FEBDRM CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC12CCCCC2 ZINC000272384108 550442927 /nfs/dbraw/zinc/44/29/27/550442927.db2.gz JPKKXOPOLGORHB-UHFFFAOYSA-N -1 0 361.398 2.308 20 5 FEBDRM COCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000272385101 550443255 /nfs/dbraw/zinc/44/32/55/550443255.db2.gz HJFAPHORILZZPG-NSHDSACASA-N -1 0 358.347 2.383 20 5 FEBDRM COc1cccc(N2CC[C@H](NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)c1 ZINC000272607916 550460645 /nfs/dbraw/zinc/46/06/45/550460645.db2.gz YPCXZPDPEJFXBH-ZDUSSCGKSA-N -1 0 357.366 2.318 20 5 FEBDRM CC(=O)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000273295513 550493634 /nfs/dbraw/zinc/49/36/34/550493634.db2.gz DHNCPLCGVLXNFD-UHFFFAOYSA-N -1 0 361.398 2.308 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274716232 550550643 /nfs/dbraw/zinc/55/06/43/550550643.db2.gz CFFYKXFGDBPQON-UHFFFAOYSA-N -1 0 371.397 2.248 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000274852927 550559702 /nfs/dbraw/zinc/55/97/02/550559702.db2.gz UNMBWXCYHRYWDZ-HNNXBMFYSA-N -1 0 364.398 2.491 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)NCCC[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000274947493 550566931 /nfs/dbraw/zinc/56/69/31/550566931.db2.gz HKZXDKFAVPBJIT-MRVPVSSYSA-N -1 0 364.807 2.336 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc([C@H]2CCCO2)nn1C ZINC000278895303 550833530 /nfs/dbraw/zinc/83/35/30/550833530.db2.gz QDZDWHITPTWABE-CYBMUJFWSA-N -1 0 366.399 2.289 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1C ZINC000279929611 550944003 /nfs/dbraw/zinc/94/40/03/550944003.db2.gz GBBZIUXCOZDWGK-RYUDHWBXSA-N -1 0 356.400 2.085 20 5 FEBDRM O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280683488 551021019 /nfs/dbraw/zinc/02/10/19/551021019.db2.gz AYXORHGWDQLKOI-UHFFFAOYSA-N -1 0 369.377 2.335 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c([N+](=O)[O-])c1 ZINC000281174109 551070853 /nfs/dbraw/zinc/07/08/53/551070853.db2.gz QDFQVGLCDUONJE-UHFFFAOYSA-N -1 0 354.388 2.261 20 5 FEBDRM CCO[C@H]1C[C@@](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)(C(=O)[O-])C1(C)C ZINC000281731464 551136114 /nfs/dbraw/zinc/13/61/14/551136114.db2.gz SZBATJLOSDFZDZ-MUAIMPQQSA-N -1 0 362.382 2.383 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000281883595 551152753 /nfs/dbraw/zinc/15/27/53/551152753.db2.gz XLIRWKISHXYWNW-ZDUSSCGKSA-N -1 0 362.791 2.266 20 5 FEBDRM Cn1ncc2c1C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000282263220 551203161 /nfs/dbraw/zinc/20/31/61/551203161.db2.gz JFXICAZANWBBTC-MRVPVSSYSA-N -1 0 350.762 2.431 20 5 FEBDRM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282803892 551272231 /nfs/dbraw/zinc/27/22/31/551272231.db2.gz RVQFWTVWYOJIJI-LBPRGKRZSA-N -1 0 370.818 2.338 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)cc1C ZINC000285038951 551694572 /nfs/dbraw/zinc/69/45/72/551694572.db2.gz IYZXZOBYXQBMOF-UHFFFAOYSA-N -1 0 356.400 2.087 20 5 FEBDRM CCC(CC)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCOCC1 ZINC000499360677 561549581 /nfs/dbraw/zinc/54/95/81/561549581.db2.gz ICFXRXMSUFZJEM-KRWDZBQOSA-N -1 0 365.430 2.167 20 5 FEBDRM O=C([O-])CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000297272646 553271838 /nfs/dbraw/zinc/27/18/38/553271838.db2.gz SOYDYHYBMNVMCB-RISCZKNCSA-N 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O=C([O-])CN(c1ccccc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326865937 553784012 /nfs/dbraw/zinc/78/40/12/553784012.db2.gz TUIPQRJGISKOMV-UHFFFAOYSA-N -1 0 354.315 2.014 20 5 FEBDRM COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000327035246 553785426 /nfs/dbraw/zinc/78/54/26/553785426.db2.gz JFLOVLITIUGOMY-UHFFFAOYSA-N -1 0 366.351 2.411 20 5 FEBDRM COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000327076081 553785962 /nfs/dbraw/zinc/78/59/62/553785962.db2.gz ROEQYJOEGAVCEV-UHFFFAOYSA-N -1 0 366.351 2.411 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000327268378 553787200 /nfs/dbraw/zinc/78/72/00/553787200.db2.gz FTRBXCBRDAPOSD-UHFFFAOYSA-N -1 0 364.379 2.122 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000327327140 553788027 /nfs/dbraw/zinc/78/80/27/553788027.db2.gz XCNHZYRIKYSPCM-HNNXBMFYSA-N -1 0 364.379 2.316 20 5 FEBDRM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c([N+](=O)[O-])c1 ZINC000327474270 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COc1cc(S(=O)(=O)[N-]C(=O)CCc2ccsc2)ccc1[N+](=O)[O-] ZINC000761432996 680723256 /nfs/dbraw/zinc/72/32/56/680723256.db2.gz RQBRMHACMZXDDF-UHFFFAOYSA-N -1 0 370.408 2.103 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1ccco1 ZINC000838934232 680728005 /nfs/dbraw/zinc/72/80/05/680728005.db2.gz RXDKDQOLKXZPDJ-SNVBAGLBSA-N -1 0 367.383 2.228 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccoc1C ZINC000839055365 680734642 /nfs/dbraw/zinc/73/46/42/680734642.db2.gz GHZIAFBNLSGXPN-UHFFFAOYSA-N -1 0 367.383 2.437 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCC2 ZINC000839061060 680734836 /nfs/dbraw/zinc/73/48/36/680734836.db2.gz COJWNLFITZNVJF-LBPRGKRZSA-N -1 0 367.427 2.412 20 5 FEBDRM NC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000764533706 680813321 /nfs/dbraw/zinc/81/33/21/680813321.db2.gz DOWFSNYGXOJONZ-UHFFFAOYSA-N -1 0 361.788 2.209 20 5 FEBDRM CO[C@H](C)CS(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840955015 680856822 /nfs/dbraw/zinc/85/68/22/680856822.db2.gz QGYLOVIQNUNAJJ-RDDDGLTNSA-N -1 0 374.312 2.292 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)C(C)=C2CCCC2)c([N+](=O)[O-])c1 ZINC000765910867 680859136 /nfs/dbraw/zinc/85/91/36/680859136.db2.gz PSJIQIQHFREPAU-UHFFFAOYSA-N -1 0 354.384 2.299 20 5 FEBDRM CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000747859404 679908243 /nfs/dbraw/zinc/90/82/43/679908243.db2.gz SJCPTUDTMIWUCS-UHFFFAOYSA-N -1 0 368.327 2.098 20 5 FEBDRM O=C([O-])N1CCSC[C@H]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000832068888 680086029 /nfs/dbraw/zinc/08/60/29/680086029.db2.gz FFKAOFBHDBNJJF-LLVKDONJSA-N -1 0 350.356 2.283 20 5 FEBDRM O=C(/C=C/Sc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000750757413 680131632 /nfs/dbraw/zinc/13/16/32/680131632.db2.gz LRGPBHDAODUYKO-CMDGGOBGSA-N -1 0 365.392 2.101 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000835026594 680286773 /nfs/dbraw/zinc/28/67/73/680286773.db2.gz 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O=C(CCNc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)CCC1CCCC1 ZINC000835946429 680402706 /nfs/dbraw/zinc/40/27/06/680402706.db2.gz TWYAYUNCBVGEFS-UHFFFAOYSA-N -1 0 369.443 2.423 20 5 FEBDRM O=C(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OCc1ccccc1Cl ZINC000755317711 680410028 /nfs/dbraw/zinc/41/00/28/680410028.db2.gz SNHYIJXVYDOORU-UHFFFAOYSA-N -1 0 364.741 2.427 20 5 FEBDRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000756097988 680460112 /nfs/dbraw/zinc/46/01/12/680460112.db2.gz KIBJJTSQIVWVLB-UHFFFAOYSA-N -1 0 351.384 2.240 20 5 FEBDRM Cc1cnc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000758426107 680578859 /nfs/dbraw/zinc/57/88/59/680578859.db2.gz ROWPSJCNIHIASR-UHFFFAOYSA-N -1 0 373.188 2.257 20 5 FEBDRM COC1CCC(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000759358633 680644657 /nfs/dbraw/zinc/64/46/57/680644657.db2.gz JBCOQVXKIJFITI-UHFFFAOYSA-N -1 0 370.427 2.303 20 5 FEBDRM CC(C)(C)OC(=O)N1CC(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000760197799 680679520 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362.367 2.065 20 5 FEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000273443059 550498773 /nfs/dbraw/zinc/49/87/73/550498773.db2.gz RSRHFAINSUNFFY-LBPRGKRZSA-N -1 0 365.386 2.382 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000274920665 550565158 /nfs/dbraw/zinc/56/51/58/550565158.db2.gz JFLLVMCHJMGLCW-NVXWUHKLSA-N -1 0 372.377 2.265 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCCCC(=O)[O-])c1 ZINC000274936985 550566058 /nfs/dbraw/zinc/56/60/58/550566058.db2.gz QCTHTTMSOQACRD-UHFFFAOYSA-N -1 0 350.780 2.090 20 5 FEBDRM COC(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)c(C)c([N+](=O)[O-])c1 ZINC000276736495 550590366 /nfs/dbraw/zinc/59/03/66/550590366.db2.gz AESYCEJKHOOTGS-GFCCVEGCSA-N -1 0 372.399 2.001 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC000278292719 550769532 /nfs/dbraw/zinc/76/95/32/550769532.db2.gz CTRJPMWLBFGMSV-UHFFFAOYSA-N -1 0 356.360 2.085 20 5 FEBDRM 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551720260 /nfs/dbraw/zinc/72/02/60/551720260.db2.gz FLWYSEXLXQFUBB-UHFFFAOYSA-N -1 0 353.375 2.348 20 5 FEBDRM CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000285916097 551827001 /nfs/dbraw/zinc/82/70/01/551827001.db2.gz IPDLITRZEOHFKF-LLVKDONJSA-N -1 0 351.359 2.041 20 5 FEBDRM CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000287532300 552015978 /nfs/dbraw/zinc/01/59/78/552015978.db2.gz NCQDEVYRWFSHNV-NEPJUHHUSA-N -1 0 356.400 2.085 20 5 FEBDRM COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000288632139 552188479 /nfs/dbraw/zinc/18/84/79/552188479.db2.gz NZSMSLXURPKZDT-LURJTMIESA-N -1 0 371.293 2.002 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(C)nc1C1CC1 ZINC000500550585 561576644 /nfs/dbraw/zinc/57/66/44/561576644.db2.gz ZZNTZSJQRUKBSW-UHFFFAOYSA-N -1 0 364.383 2.380 20 5 FEBDRM COC[C@@]1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)OCCc2ccccc21 ZINC000291168213 552595320 /nfs/dbraw/zinc/59/53/20/552595320.db2.gz 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O=C([O-])c1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000560217327 600933562 /nfs/dbraw/zinc/93/35/62/600933562.db2.gz BYCXVCXFEVCQMM-UHFFFAOYSA-N -1 0 371.349 2.372 20 5 FEBDRM O=C([O-])CCN(C(=O)CSc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000833231312 600965898 /nfs/dbraw/zinc/96/58/98/600965898.db2.gz PIRWFHPFGXBHPA-UHFFFAOYSA-N -1 0 368.411 2.169 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(Cc2ncc(-c3ccccc3F)o2)c1=O ZINC000740097917 600985662 /nfs/dbraw/zinc/98/56/62/600985662.db2.gz WNMRIQOXONAGDT-UHFFFAOYSA-N -1 0 359.269 2.297 20 5 FEBDRM CC[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000828999353 600985991 /nfs/dbraw/zinc/98/59/91/600985991.db2.gz ZDMTXKFBVVXWRH-CYBMUJFWSA-N -1 0 365.386 2.026 20 5 FEBDRM CCc1ccc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000579424457 601059206 /nfs/dbraw/zinc/05/92/06/601059206.db2.gz ASWCTTHOOAQTGM-AWEZNQCLSA-N -1 0 350.371 2.253 20 5 FEBDRM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000262060961 601299015 /nfs/dbraw/zinc/29/90/15/601299015.db2.gz HCTIAVCBRJWVHL-ZUZCIYMTSA-N -1 0 356.400 2.071 20 5 FEBDRM Cc1nn(CN(C)Cc2ccc(C(=O)[O-])cc2)c2ncc([N+](=O)[O-])cc12 ZINC000833016760 601445482 /nfs/dbraw/zinc/44/54/82/601445482.db2.gz GFGLQBMLOOURNO-UHFFFAOYSA-N -1 0 355.354 2.436 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000827890742 601524511 /nfs/dbraw/zinc/52/45/11/601524511.db2.gz YSNVZLIOTYUPTG-GZMMTYOYSA-N -1 0 356.762 2.385 20 5 FEBDRM COc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1SC ZINC000737902450 601630586 /nfs/dbraw/zinc/63/05/86/601630586.db2.gz LQWLNUFBRBVWKO-SNVBAGLBSA-N -1 0 354.384 2.405 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827889641 601714145 /nfs/dbraw/zinc/71/41/45/601714145.db2.gz HCNUIOYZLXEVKC-RTHLEPHNSA-N -1 0 360.725 2.041 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000547866403 601810969 /nfs/dbraw/zinc/81/09/69/601810969.db2.gz NFSALUXYVXTWBW-CQSZACIVSA-N -1 0 368.342 2.147 20 5 FEBDRM O=C([O-])c1cccc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000833142410 601869887 /nfs/dbraw/zinc/86/98/87/601869887.db2.gz JOKPVUPIUTXIIW-UHFFFAOYSA-N -1 0 359.338 2.171 20 5 FEBDRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000739581262 601908148 /nfs/dbraw/zinc/90/81/48/601908148.db2.gz DUSARRXHTANDGZ-GFCCVEGCSA-N -1 0 353.400 2.288 20 5 FEBDRM Cc1c(NC(=O)[C@H](C)N2CCC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047862 601974366 /nfs/dbraw/zinc/97/43/66/601974366.db2.gz WVTLLJLNILBOIC-STQMWFEESA-N -1 0 364.402 2.304 20 5 FEBDRM CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830522807 602000615 /nfs/dbraw/zinc/00/06/15/602000615.db2.gz BJRJBMAVTBRVNB-ZDUSSCGKSA-N -1 0 371.271 2.249 20 5 FEBDRM COc1ccc(CC(=O)N2CCCC[C@H]2[C@H](C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000739894749 602100671 /nfs/dbraw/zinc/10/06/71/602100671.db2.gz NLBKPZBZPCYUSO-AAEUAGOBSA-N -1 0 365.386 2.183 20 5 FEBDRM C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738975174 602132612 /nfs/dbraw/zinc/13/26/12/602132612.db2.gz GXCRSKPMOIPBCY-OCCSQVGLSA-N -1 0 364.402 2.215 20 5 FEBDRM COCc1nc2n(n1)CCC[C@@H]2Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000831831392 602139025 /nfs/dbraw/zinc/13/90/25/602139025.db2.gz JOHLKQRSOQSTMS-VGVVRCBHSA-N -1 0 373.369 2.378 20 5 FEBDRM COCc1nc2n(n1)CCC[C@@H]2Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000831831390 602139067 /nfs/dbraw/zinc/13/90/67/602139067.db2.gz JOHLKQRSOQSTMS-IYNGYCSASA-N -1 0 373.369 2.378 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739003252 602265664 /nfs/dbraw/zinc/26/56/64/602265664.db2.gz SIIJZPJAESZPIW-NHYWBVRUSA-N -1 0 365.386 2.472 20 5 FEBDRM O=C(CC1CCN(C(=O)[O-])CC1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000740349926 602284987 /nfs/dbraw/zinc/28/49/87/602284987.db2.gz LMTFTLNMUQOJQZ-UHFFFAOYSA-N -1 0 350.327 2.101 20 5 FEBDRM COc1cc([N+](=O)[O-])c(C(=O)NCCN(C(=O)[O-])C2CC2)cc1SC ZINC000739872172 602295082 /nfs/dbraw/zinc/29/50/82/602295082.db2.gz QFDWBTQHNGPGKH-UHFFFAOYSA-N -1 0 369.399 2.198 20 5 FEBDRM Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)c(C(=O)[O-])c1C ZINC000832858541 602311016 /nfs/dbraw/zinc/31/10/16/602311016.db2.gz MQOMROGQFVRWRA-UHFFFAOYSA-N -1 0 365.367 2.080 20 5 FEBDRM Cc1cc(N[C@@H]2CCCN(c3ncccn3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579958163 602313413 /nfs/dbraw/zinc/31/34/13/602313413.db2.gz SWTLJFMHEGVCTL-GFCCVEGCSA-N -1 0 357.370 2.472 20 5 FEBDRM Cc1cc(N[C@H]2CCCc3c2cnn3CCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970131 602313648 /nfs/dbraw/zinc/31/36/48/602313648.db2.gz IHQJKTRBESHQSY-AWEZNQCLSA-N -1 0 360.370 2.280 20 5 FEBDRM Cc1cc(N2CCC(O[C@H]3CCOC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567739624 602322916 /nfs/dbraw/zinc/32/29/16/602322916.db2.gz YKBHHJGCUOAQLD-AWEZNQCLSA-N -1 0 350.371 2.376 20 5 FEBDRM O=C([O-])c1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)c[nH]1 ZINC000833166466 602362463 /nfs/dbraw/zinc/36/24/63/602362463.db2.gz YSWPQBCDCYHITJ-UHFFFAOYSA-N -1 0 359.323 2.392 20 5 FEBDRM CN(CC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000739663863 602375179 /nfs/dbraw/zinc/37/51/79/602375179.db2.gz MXBGWUPHGXXBID-UHFFFAOYSA-N -1 0 361.358 2.070 20 5 FEBDRM COc1cc(OCc2nc(C3(NC(=O)[O-])CCC3)no2)ccc1[N+](=O)[O-] ZINC000739873406 602415944 /nfs/dbraw/zinc/41/59/44/602415944.db2.gz WFEYQHJUGMLWBV-UHFFFAOYSA-N -1 0 364.314 2.212 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740625094 602451021 /nfs/dbraw/zinc/45/10/21/602451021.db2.gz UQCRVUDCRGSVQH-NSHDSACASA-N -1 0 374.353 2.111 20 5 FEBDRM NC(=O)c1ccc(N[C@H](CNC(=O)[O-])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000740336043 602455936 /nfs/dbraw/zinc/45/59/36/602455936.db2.gz GFBFALLTZUEHSO-CYBMUJFWSA-N -1 0 350.375 2.322 20 5 FEBDRM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000739047425 602463722 /nfs/dbraw/zinc/46/37/22/602463722.db2.gz QKZILMMFAFMBIX-DTWKUNHWSA-N -1 0 359.766 2.130 20 5 FEBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344856 602518953 /nfs/dbraw/zinc/51/89/53/602518953.db2.gz MQGXJBBIBFKJJP-LBPRGKRZSA-N -1 0 351.359 2.208 20 5 FEBDRM Cc1c(NC(=O)[C@H](C)N2CCC(N(C)C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000738201395 602532216 /nfs/dbraw/zinc/53/22/16/602532216.db2.gz CRNYJOMCVQKIKM-LBPRGKRZSA-N -1 0 364.402 2.304 20 5 FEBDRM CCC(CC)(CNC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000739253537 602565117 /nfs/dbraw/zinc/56/51/17/602565117.db2.gz HLUWJHVRAJQTDI-UHFFFAOYSA-N -1 0 359.404 2.008 20 5 FEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738852032 602633658 /nfs/dbraw/zinc/63/36/58/602633658.db2.gz FBVPDPXNNXBIPX-ZDUSSCGKSA-N -1 0 350.375 2.267 20 5 FEBDRM O=C([O-])NC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000740542439 602714032 /nfs/dbraw/zinc/71/40/32/602714032.db2.gz GQLJWTWOVLUBDA-UHFFFAOYSA-N -1 0 351.359 2.060 20 5 FEBDRM CC(C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000738790402 602783055 /nfs/dbraw/zinc/78/30/55/602783055.db2.gz QOSFLFUXXFXSOK-CYBMUJFWSA-N -1 0 350.375 2.191 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000740634940 602791898 /nfs/dbraw/zinc/79/18/98/602791898.db2.gz RROGJFHZLRLROG-TVQRCGJNSA-N -1 0 366.330 2.059 20 5 FEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000740637048 602799713 /nfs/dbraw/zinc/79/97/13/602799713.db2.gz XSJNOYDUANSDAE-HIFRSBDPSA-N -1 0 374.397 2.492 20 5 FEBDRM COc1cc(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000739849192 602801635 /nfs/dbraw/zinc/80/16/35/602801635.db2.gz DBEXQVMQLQWTMD-NWDGAFQWSA-N -1 0 351.359 2.160 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000739931092 602812276 /nfs/dbraw/zinc/81/22/76/602812276.db2.gz COBSKPPYIDXCPM-GXFFZTMASA-N -1 0 351.359 2.254 20 5 FEBDRM Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCCCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740054115 602814187 /nfs/dbraw/zinc/81/41/87/602814187.db2.gz WCRLPUYTJMPJBU-NSHDSACASA-N -1 0 368.346 2.248 20 5 FEBDRM C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)N1C(=O)[O-] ZINC000739179331 602839282 /nfs/dbraw/zinc/83/92/82/602839282.db2.gz BAKNTCYVXCEOMR-QWRGUYRKSA-N -1 0 351.359 2.034 20 5 FEBDRM O=C([O-])N1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000831646349 602888205 /nfs/dbraw/zinc/88/82/05/602888205.db2.gz IKIVQDGDWJNZLC-VIFPVBQESA-N -1 0 361.276 2.486 20 5 FEBDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000739966502 602895211 /nfs/dbraw/zinc/89/52/11/602895211.db2.gz KCXOIIOPUUBIMQ-HNNXBMFYSA-N -1 0 359.338 2.229 20 5 FEBDRM O=C([O-])N1CCC[C@H]1COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000740721504 602923074 /nfs/dbraw/zinc/92/30/74/602923074.db2.gz OEZKPCHAWHNAKP-ZDUSSCGKSA-N -1 0 360.326 2.080 20 5 FEBDRM O=C([O-])NC[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000832408763 603013646 /nfs/dbraw/zinc/01/36/46/603013646.db2.gz VAVATQBIJWYQOI-HNNXBMFYSA-N 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ZINC000546254703 673798099 /nfs/dbraw/zinc/79/80/99/673798099.db2.gz BPZOSHIDWNWUSK-GHMZBOCLSA-N -1 0 354.384 2.022 20 5 FEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000600879289 673805733 /nfs/dbraw/zinc/80/57/33/673805733.db2.gz VAONOOOMYAPHMO-MRXNPFEDSA-N -1 0 368.411 2.318 20 5 FEBDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000745485143 673838785 /nfs/dbraw/zinc/83/87/85/673838785.db2.gz JRGYBVZXKWSIBD-UHFFFAOYSA-N -1 0 368.342 2.485 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000746426702 673877304 /nfs/dbraw/zinc/87/73/04/673877304.db2.gz SCRUPNITFCVGMM-UHFFFAOYSA-N -1 0 354.409 2.321 20 5 FEBDRM COc1cc(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000547906213 673902252 /nfs/dbraw/zinc/90/22/52/673902252.db2.gz NVJCGGNSRLEGRQ-UHFFFAOYSA-N -1 0 372.399 2.011 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-] ZINC000547931704 673906235 /nfs/dbraw/zinc/90/62/35/673906235.db2.gz 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20 5 FEBDRM O=C([O-])CC[C@H]1CCCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548560360 673972127 /nfs/dbraw/zinc/97/21/27/673972127.db2.gz WPYDQYNXVXVXML-CYBMUJFWSA-N -1 0 356.400 2.144 20 5 FEBDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000548592134 673977516 /nfs/dbraw/zinc/97/75/16/673977516.db2.gz GFWBBQXDPROQAX-ZYHUDNBSSA-N -1 0 374.415 2.161 20 5 FEBDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000548596665 673978515 /nfs/dbraw/zinc/97/85/15/673978515.db2.gz RWHLYWWJJQUPCC-SKDRFNHKSA-N -1 0 362.379 2.292 20 5 FEBDRM CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000566283517 675200785 /nfs/dbraw/zinc/20/07/85/675200785.db2.gz NPTZNQWKKSGNHF-BDJLRTHQSA-N -1 0 370.789 2.364 20 5 FEBDRM Cc1c(C(=O)NCCC(C)(C)C(=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818325097 675214466 /nfs/dbraw/zinc/21/44/66/675214466.db2.gz VSCVTUYCINMVSS-UHFFFAOYSA-N -1 0 353.331 2.351 20 5 FEBDRM CC(=O)N(C)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000567943549 675337794 /nfs/dbraw/zinc/33/77/94/675337794.db2.gz PBTQISRHEAWHTF-UHFFFAOYSA-N -1 0 355.778 2.037 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000820268500 675348131 /nfs/dbraw/zinc/34/81/31/675348131.db2.gz GWTDTBVFYXHTIB-CMPLNLGQSA-N -1 0 356.400 2.235 20 5 FEBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823861054 675574906 /nfs/dbraw/zinc/57/49/06/675574906.db2.gz TYYXRLCMMZZEDI-LLVKDONJSA-N -1 0 351.315 2.363 20 5 FEBDRM O=C([O-])C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000603570647 675800153 /nfs/dbraw/zinc/80/01/53/675800153.db2.gz SHKJEPOHFXTKOS-GFCCVEGCSA-N -1 0 350.352 2.367 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OC)n1 ZINC000604471207 675805378 /nfs/dbraw/zinc/80/53/78/675805378.db2.gz GYWOQVVIXLDZNA-UHFFFAOYSA-N -1 0 373.774 2.461 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000619467658 676378231 /nfs/dbraw/zinc/37/82/31/676378231.db2.gz VHFZWHWUWTUUEZ-UHFFFAOYSA-N -1 0 352.372 2.011 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCCCC[C@H]1C(=O)[O-] ZINC000619708433 676391497 /nfs/dbraw/zinc/39/14/97/676391497.db2.gz MMYXKKPXODZYPK-LBPRGKRZSA-N -1 0 372.399 2.011 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)c1 ZINC000761405535 680722408 /nfs/dbraw/zinc/72/24/08/680722408.db2.gz LOIHQCXGNSGJER-SECBINFHSA-N -1 0 362.791 2.042 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000761422592 680722892 /nfs/dbraw/zinc/72/28/92/680722892.db2.gz PSDBPIKAUMEALJ-QWRGUYRKSA-N -1 0 356.400 2.235 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1Cl)[N+](=O)[O-] ZINC000839030519 680733802 /nfs/dbraw/zinc/73/38/02/680733802.db2.gz RUFIGYIATSCBCK-UHFFFAOYSA-N -1 0 366.798 2.261 20 5 FEBDRM O=C(CC1CCSCC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000762735591 680760083 /nfs/dbraw/zinc/76/00/83/680760083.db2.gz 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COc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000835559964 680349579 /nfs/dbraw/zinc/34/95/79/680349579.db2.gz QKVYRLBXDCBGOC-NWHVRFAMSA-N -1 0 368.411 2.242 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1)c1ccc([N+](=O)[O-])cc1F ZINC000755739856 680432014 /nfs/dbraw/zinc/43/20/14/680432014.db2.gz ZMFKJSVWOBPVKC-MRVPVSSYSA-N -1 0 358.372 2.404 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000755843357 680439550 /nfs/dbraw/zinc/43/95/50/680439550.db2.gz SVPUCDFOAYECNQ-UHFFFAOYSA-N -1 0 368.342 2.002 20 5 FEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000757310695 680521597 /nfs/dbraw/zinc/52/15/97/680521597.db2.gz RVGMHAOKJCILDS-UHFFFAOYSA-N -1 0 371.371 2.278 20 5 FEBDRM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837294765 680583288 /nfs/dbraw/zinc/58/32/88/680583288.db2.gz XUKYZTCCUKZCSA-LBPRGKRZSA-N -1 0 366.754 2.015 20 5 FEBDRM Cc1sc(=O)n(CCC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000837523487 680614944 /nfs/dbraw/zinc/61/49/44/680614944.db2.gz BUYAIDUVZRWJTD-UHFFFAOYSA-N -1 0 352.368 2.274 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)ccc1[N+](=O)[O-] ZINC000759165249 680632324 /nfs/dbraw/zinc/63/23/24/680632324.db2.gz DUIPJVPPLFEISW-UHFFFAOYSA-N -1 0 350.356 2.072 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccsc2C(N)=O)c1C ZINC000759699403 680664163 /nfs/dbraw/zinc/66/41/63/680664163.db2.gz QLBGKGGRHMGNCX-UHFFFAOYSA-N -1 0 355.397 2.173 20 5 FEBDRM COc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000760359602 680684175 /nfs/dbraw/zinc/68/41/75/680684175.db2.gz WCHDDLOVSACRAG-UHFFFAOYSA-N -1 0 364.379 2.172 20 5 FEBDRM COCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000766586934 680882259 /nfs/dbraw/zinc/88/22/59/680882259.db2.gz YGTDAPDBYBQDKZ-UHFFFAOYSA-N -1 0 367.339 2.450 20 5 FEBDRM CN(Cc1nc(=O)c2sccc2[n-]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767955294 680933266 /nfs/dbraw/zinc/93/32/66/680933266.db2.gz TVOONZCZKHJXHJ-ZDUSSCGKSA-N -1 0 360.395 2.471 20 5 FEBDRM Cc1nc(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)sc1C ZINC000842404179 680944472 /nfs/dbraw/zinc/94/44/72/680944472.db2.gz OXCNZMSFGFWDOA-UHFFFAOYSA-N -1 0 369.424 2.236 20 5 FEBDRM CCc1cnccc1C(=O)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842404471 680944686 /nfs/dbraw/zinc/94/46/86/680944686.db2.gz VBBUEHNMFWLMJF-UHFFFAOYSA-N -1 0 363.395 2.120 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CCC(C)(F)F)cccc1[N+](=O)[O-] ZINC000842405784 680944771 /nfs/dbraw/zinc/94/47/71/680944771.db2.gz ODOZTWLXWJMLMT-UHFFFAOYSA-N -1 0 350.343 2.285 20 5 FEBDRM CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842450988 680947776 /nfs/dbraw/zinc/94/77/76/680947776.db2.gz FXUTTWAZGQQQHF-MRVPVSSYSA-N -1 0 366.317 2.465 20 5 FEBDRM CC(C)[C@@H](F)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842452796 680947890 /nfs/dbraw/zinc/94/78/90/680947890.db2.gz XMPNXONGZJOZRV-SNVBAGLBSA-N -1 0 372.296 2.413 20 5 FEBDRM COCCn1c(=O)cc([O-])nc1SCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768510725 680948772 /nfs/dbraw/zinc/94/87/72/680948772.db2.gz CABPAZXOVZLBHT-UHFFFAOYSA-N -1 0 371.802 2.449 20 5 FEBDRM O=C(Nc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000768858461 680961937 /nfs/dbraw/zinc/96/19/37/680961937.db2.gz OKKQINXVRFJEEL-UHFFFAOYSA-N -1 0 368.396 2.201 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)n1 ZINC000768984839 680967011 /nfs/dbraw/zinc/96/70/11/680967011.db2.gz XKMOHRXXKRXTRK-UHFFFAOYSA-N -1 0 359.367 2.285 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)s1 ZINC000769847599 680997127 /nfs/dbraw/zinc/99/71/27/680997127.db2.gz WUNNIAVUZKBHBM-UHFFFAOYSA-N -1 0 360.320 2.327 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)ccc1[N+](=O)[O-] ZINC000769870841 680998032 /nfs/dbraw/zinc/99/80/32/680998032.db2.gz VXFAFEIJGZHUFG-UHFFFAOYSA-N -1 0 352.372 2.015 20 5 FEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1C ZINC000770728782 681025784 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000270547130 550282703 /nfs/dbraw/zinc/28/27/03/550282703.db2.gz YYVCMCHTNWSOSF-LBPRGKRZSA-N -1 0 356.400 2.087 20 5 FEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000274848637 550559338 /nfs/dbraw/zinc/55/93/38/550559338.db2.gz ALKOUEAOOREBDA-ZDUSSCGKSA-N -1 0 370.365 2.186 20 5 FEBDRM O=C(C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000274865901 550560793 /nfs/dbraw/zinc/56/07/93/550560793.db2.gz WNYCBHSYCSBZNT-HNNXBMFYSA-N -1 0 370.361 2.414 20 5 FEBDRM CC[C@@](C)(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000274949080 550566879 /nfs/dbraw/zinc/56/68/79/550566879.db2.gz HSAKWRBBTOBPMD-LBPRGKRZSA-N -1 0 350.780 2.027 20 5 FEBDRM CCC1(C(=O)[O-])CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000277278564 550651344 /nfs/dbraw/zinc/65/13/44/550651344.db2.gz PKLQDWPCGMHUEZ-UHFFFAOYSA-N -1 0 370.427 2.477 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(CC(C)(C)C)o1 ZINC000278390170 550780119 /nfs/dbraw/zinc/78/01/19/550780119.db2.gz MUAPCTUHFUHVBV-UHFFFAOYSA-N -1 0 370.387 2.376 20 5 FEBDRM C[C@H]1C[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000280038458 550954806 /nfs/dbraw/zinc/95/48/06/550954806.db2.gz QMOZHSXPNCLOBF-IUCAKERBSA-N -1 0 362.791 2.122 20 5 FEBDRM O=C(CC1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000280867689 551040620 /nfs/dbraw/zinc/04/06/20/551040620.db2.gz DXDOVHKRULCBAC-UHFFFAOYSA-N -1 0 361.398 2.165 20 5 FEBDRM Cc1oc(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC000281763033 551140201 /nfs/dbraw/zinc/14/02/01/551140201.db2.gz GHOPLVCYGDAXJE-UHFFFAOYSA-N -1 0 368.367 2.290 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000281930721 551159212 /nfs/dbraw/zinc/15/92/12/551159212.db2.gz RAEHNDBASPMQNS-NSHDSACASA-N -1 0 374.415 2.113 20 5 FEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@H]1C(=O)[O-] ZINC000284504451 551564069 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367.431 2.016 20 5 FEBDRM CC(C)(CCO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286121821 551850999 /nfs/dbraw/zinc/85/09/99/551850999.db2.gz VYSAYHXRQZIQRT-UHFFFAOYSA-N -1 0 354.787 2.074 20 5 FEBDRM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287729229 552039401 /nfs/dbraw/zinc/03/94/01/552039401.db2.gz ZDGWAMBECLCOSD-MWLCHTKSSA-N -1 0 362.791 2.122 20 5 FEBDRM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000288028974 552077195 /nfs/dbraw/zinc/07/71/95/552077195.db2.gz CSCYVIDYNTXRKC-JQWIXIFHSA-N -1 0 365.386 2.428 20 5 FEBDRM CN(C)CC(=O)Nc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000499514045 561552696 /nfs/dbraw/zinc/55/26/96/561552696.db2.gz YUSPJVNHCSJEJS-UHFFFAOYSA-N -1 0 358.354 2.053 20 5 FEBDRM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1 ZINC000289877799 552393208 /nfs/dbraw/zinc/39/32/08/552393208.db2.gz OGTZEVGSZUQNNJ-UHFFFAOYSA-N -1 0 363.754 2.416 20 5 FEBDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000290490880 552487599 /nfs/dbraw/zinc/48/75/99/552487599.db2.gz JDZPAXLLOOUDOM-UHFFFAOYSA-N -1 0 354.363 2.454 20 5 FEBDRM C[C@H](CCO)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290859579 552551023 /nfs/dbraw/zinc/55/10/23/552551023.db2.gz XFBKGBAKZVNFLQ-SSDOTTSWSA-N -1 0 357.215 2.198 20 5 FEBDRM CC(C)OCc1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])no1 ZINC000291114814 552588495 /nfs/dbraw/zinc/58/84/95/552588495.db2.gz CBJKYNOSNCFRTB-SECBINFHSA-N -1 0 350.331 2.099 20 5 FEBDRM CC(C)(C)[NH+]1CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000299436588 553562704 /nfs/dbraw/zinc/56/27/04/553562704.db2.gz WDRMICSYMJBPIA-UHFFFAOYSA-N -1 0 359.423 2.275 20 5 FEBDRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000320730095 553765860 /nfs/dbraw/zinc/76/58/60/553765860.db2.gz KBUNIIPKWLAPOB-JTQLQIEISA-N -1 0 350.278 2.147 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000322134622 553767947 /nfs/dbraw/zinc/76/79/47/553767947.db2.gz PZQCJUCDBZGMPF-QMMMGPOBSA-N -1 0 364.807 2.336 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000322949258 553768866 /nfs/dbraw/zinc/76/88/66/553768866.db2.gz KEJJJACHGHIEEP-JMCQJSRRSA-N -1 0 362.791 2.040 20 5 FEBDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000323833969 553770590 /nfs/dbraw/zinc/77/05/90/553770590.db2.gz ADGYSZQUIUXONZ-ZDUSSCGKSA-N -1 0 370.770 2.352 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000325563819 553777337 /nfs/dbraw/zinc/77/73/37/553777337.db2.gz KFARBVPLFSZHII-DZGCQCFKSA-N -1 0 356.400 2.215 20 5 FEBDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000326065931 553779382 /nfs/dbraw/zinc/77/93/82/553779382.db2.gz FIOYWCWLGPNZOB-GFCCVEGCSA-N -1 0 358.416 2.294 20 5 FEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000326262957 553779732 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ZQDMLHRWHXCLCT-BZPMIXESSA-N -1 0 368.411 2.391 20 5 FEBDRM Cc1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000327546720 553789685 /nfs/dbraw/zinc/78/96/85/553789685.db2.gz XVVFBZODDJQLMF-AWEZNQCLSA-N -1 0 364.379 2.050 20 5 FEBDRM COc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000327934197 553792618 /nfs/dbraw/zinc/79/26/18/553792618.db2.gz PGVJZWBVDYNVNK-UHFFFAOYSA-N -1 0 366.351 2.411 20 5 FEBDRM CCCNC(=O)c1cccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000506313144 561695408 /nfs/dbraw/zinc/69/54/08/561695408.db2.gz UDEQZKZZQHDGFN-UHFFFAOYSA-N -1 0 357.366 2.370 20 5 FEBDRM CCOc1cccc(N2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)n1 ZINC000506366538 561696734 /nfs/dbraw/zinc/69/67/34/561696734.db2.gz ZSBJRUKVBFQWNX-UHFFFAOYSA-N -1 0 372.381 2.057 20 5 FEBDRM O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506474577 561699800 /nfs/dbraw/zinc/69/98/00/561699800.db2.gz NOBFMACBOCJQPP-MRXNPFEDSA-N -1 0 355.350 2.226 20 5 FEBDRM O=C(CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000506649168 561704851 /nfs/dbraw/zinc/70/48/51/561704851.db2.gz QXPFQMROSGSNDZ-UHFFFAOYSA-N -1 0 370.409 2.057 20 5 FEBDRM CCO[C@H](C)c1noc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000506747474 561707503 /nfs/dbraw/zinc/70/75/03/561707503.db2.gz IDNIAKHJEKGQQJ-SECBINFHSA-N -1 0 350.331 2.053 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3ccnc3)cn2)c([N+](=O)[O-])c1 ZINC000508082509 561750893 /nfs/dbraw/zinc/75/08/93/561750893.db2.gz HRZCDQQBUGYTSS-UHFFFAOYSA-N -1 0 373.394 2.344 20 5 FEBDRM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000330778976 554170217 /nfs/dbraw/zinc/17/02/17/554170217.db2.gz LXPSNOJQOACDHM-GFCCVEGCSA-N -1 0 363.414 2.313 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)N2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000509387592 561797353 /nfs/dbraw/zinc/79/73/53/561797353.db2.gz NTSJOEJJPNDFQG-UHFFFAOYSA-N -1 0 366.326 2.184 20 5 FEBDRM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509576978 561805944 /nfs/dbraw/zinc/80/59/44/561805944.db2.gz JGGSJPZRSXSZBL-UHFFFAOYSA-N -1 0 363.395 2.372 20 5 FEBDRM CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000510000176 561821254 /nfs/dbraw/zinc/82/12/54/561821254.db2.gz ZJPXCOWZDDZMCZ-UHFFFAOYSA-N -1 0 358.354 2.324 20 5 FEBDRM CO[C@@H](C)c1nc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000511084087 561856299 /nfs/dbraw/zinc/85/62/99/561856299.db2.gz BAWIABBJWCMKHL-VIFPVBQESA-N -1 0 350.400 2.492 20 5 FEBDRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)s[n-]1 ZINC000511106152 561857188 /nfs/dbraw/zinc/85/71/88/561857188.db2.gz NAAWINVWWXMJEL-VIFPVBQESA-N -1 0 374.382 2.014 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cnn3ccccc23)c(Cl)c1 ZINC000511327837 561865459 /nfs/dbraw/zinc/86/54/59/561865459.db2.gz VDTFZPLZSSRHFZ-UHFFFAOYSA-N -1 0 366.786 2.374 20 5 FEBDRM CN(C(=O)[C@@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])CC2)C1CC1 ZINC000363695598 555166358 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O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000370418705 556867651 /nfs/dbraw/zinc/86/76/51/556867651.db2.gz NDQRMPTWCYTZHU-UHFFFAOYSA-N -1 0 370.365 2.186 20 5 FEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000370693623 556941708 /nfs/dbraw/zinc/94/17/08/556941708.db2.gz DAZOVWABXPQDSJ-UHFFFAOYSA-N -1 0 356.260 2.241 20 5 FEBDRM COc1ccc(NC(=O)NC2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC000555851967 674378903 /nfs/dbraw/zinc/37/89/03/674378903.db2.gz SAHISUUQZRGJPR-UHFFFAOYSA-N -1 0 355.372 2.075 20 5 FEBDRM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)n1C ZINC000370907802 557011268 /nfs/dbraw/zinc/01/12/68/557011268.db2.gz QSAXELASEIYRQK-UHFFFAOYSA-N -1 0 373.394 2.500 20 5 FEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000517378666 562087712 /nfs/dbraw/zinc/08/77/12/562087712.db2.gz JZWCJBOPGIJKEB-GFCCVEGCSA-N -1 0 368.411 2.494 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c1 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O=C(NCc1ccccc1Cn1ccnc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436928006 559956692 /nfs/dbraw/zinc/95/66/92/559956692.db2.gz AZGBOEXYVYXCOO-UHFFFAOYSA-N -1 0 352.350 2.475 20 5 FEBDRM O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436947228 559957265 /nfs/dbraw/zinc/95/72/65/559957265.db2.gz FXXKLNLAKFSQFK-AWEZNQCLSA-N -1 0 373.390 2.454 20 5 FEBDRM Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(N2CCOCC2)c1 ZINC000436989473 559958700 /nfs/dbraw/zinc/95/87/00/559958700.db2.gz MDEQXLRDVZRRFA-UHFFFAOYSA-N -1 0 371.393 2.375 20 5 FEBDRM COc1cccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000441544071 560035529 /nfs/dbraw/zinc/03/55/29/560035529.db2.gz JSEDWDYVGPVVCW-UHFFFAOYSA-N -1 0 371.802 2.173 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)ns2)cc1[N+](=O)[O-] ZINC000442626346 560053625 /nfs/dbraw/zinc/05/36/25/560053625.db2.gz VVTKSWYVXDHQLQ-UHFFFAOYSA-N -1 0 356.429 2.275 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(O)c1 ZINC000442840402 560059318 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Cc1cc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000734737084 673471325 /nfs/dbraw/zinc/47/13/25/673471325.db2.gz LHHMZDFBRIEURN-LBPRGKRZSA-N -1 0 356.400 2.057 20 5 FEBDRM CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000734736305 673471332 /nfs/dbraw/zinc/47/13/32/673471332.db2.gz PGBVTWGYQLZAJX-UHFFFAOYSA-N -1 0 368.392 2.286 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CO[C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000734736761 673471417 /nfs/dbraw/zinc/47/14/17/673471417.db2.gz UBEBABOCNAVOLF-ABAIWWIYSA-N -1 0 370.427 2.303 20 5 FEBDRM O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597698457 673500275 /nfs/dbraw/zinc/50/02/75/673500275.db2.gz RCYIIUGTEAXVCC-JTQLQIEISA-N -1 0 361.320 2.305 20 5 FEBDRM O=C(Nc1ccn(C2CCOCC2)n1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000598236998 673551489 /nfs/dbraw/zinc/55/14/89/673551489.db2.gz QXTPFRGEBQTRII-UHFFFAOYSA-N -1 0 366.761 2.754 20 5 FEBDRM C[C@@]1(C(F)F)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 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FEBDRM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000545213980 673752163 /nfs/dbraw/zinc/75/21/63/673752163.db2.gz URDJQMGBQNKWRF-LLVKDONJSA-N -1 0 367.431 2.289 20 5 FEBDRM COC(=O)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000600409381 673765017 /nfs/dbraw/zinc/76/50/17/673765017.db2.gz ZJLPWDONYMZNGS-CYBMUJFWSA-N -1 0 350.371 2.400 20 5 FEBDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(F)c1 ZINC000600647028 673785360 /nfs/dbraw/zinc/78/53/60/673785360.db2.gz YGLOFWHINWOBLC-UHFFFAOYSA-N -1 0 358.351 2.055 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000600665033 673788943 /nfs/dbraw/zinc/78/89/43/673788943.db2.gz GSKTWOGJHRCWMM-HZSPNIEDSA-N -1 0 368.411 2.167 20 5 FEBDRM CCCN(CC(F)F)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000546253070 673798087 /nfs/dbraw/zinc/79/80/87/673798087.db2.gz RBOKWQDYCISBFD-UHFFFAOYSA-N -1 0 366.342 2.267 20 5 FEBDRM 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359.382 2.342 20 5 FEBDRM CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1Cc1ccccc1 ZINC000436731601 559950419 /nfs/dbraw/zinc/95/04/19/559950419.db2.gz PYWFOFQKMLHFIT-OAHLLOKOSA-N -1 0 355.394 2.299 20 5 FEBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cccc1N1CCNC1=O ZINC000436822312 559953216 /nfs/dbraw/zinc/95/32/16/559953216.db2.gz OJYGYXFCXPIYKH-UHFFFAOYSA-N -1 0 356.338 2.391 20 5 FEBDRM COC(=O)c1cccc2[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])nc21 ZINC000436885183 559955269 /nfs/dbraw/zinc/95/52/69/559955269.db2.gz JBGBOQJPOFMBGK-UHFFFAOYSA-N -1 0 356.294 2.216 20 5 FEBDRM COc1cc(OC)cc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436887781 559955511 /nfs/dbraw/zinc/95/55/11/559955511.db2.gz KQULBQLUYPZLNY-UHFFFAOYSA-N -1 0 362.338 2.126 20 5 FEBDRM CCOC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436918755 559956516 /nfs/dbraw/zinc/95/65/16/559956516.db2.gz IUEGMCACXVQJKL-UHFFFAOYSA-N -1 0 360.322 2.495 20 5 FEBDRM COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-])NC(=O)CC2 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366.399 2.170 20 5 FEBDRM CCc1ccc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1OC ZINC000451105103 560287379 /nfs/dbraw/zinc/28/73/79/560287379.db2.gz INWFCSQBOITKOK-UHFFFAOYSA-N -1 0 354.388 2.183 20 5 FEBDRM CCOC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000451863004 560333194 /nfs/dbraw/zinc/33/31/94/560333194.db2.gz PSCHIQUOOXGQEL-PWSUYJOCSA-N -1 0 374.390 2.134 20 5 FEBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C(=O)c1cscn1 ZINC000453573722 560389206 /nfs/dbraw/zinc/38/92/06/560389206.db2.gz KPHLRIZYSCURLX-NSHDSACASA-N -1 0 362.411 2.103 20 5 FEBDRM COC(=O)[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000456941257 560539457 /nfs/dbraw/zinc/53/94/57/560539457.db2.gz JVXHDQQSSAKWIT-GJZGRUSLSA-N -1 0 370.361 2.329 20 5 FEBDRM CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000457251208 560558374 /nfs/dbraw/zinc/55/83/74/560558374.db2.gz ZUEPTUBAZPLVFK-KRWDZBQOSA-N -1 0 350.371 2.494 20 5 FEBDRM Cc1c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cnn1-c1ccccn1 ZINC000462070800 560795100 /nfs/dbraw/zinc/79/51/00/560795100.db2.gz INEMWYSKPPAUAX-UHFFFAOYSA-N -1 0 359.367 2.285 20 5 FEBDRM COc1cc(F)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000467768431 560916812 /nfs/dbraw/zinc/91/68/12/560916812.db2.gz IUMLFGMTKXGFCF-UHFFFAOYSA-N -1 0 372.330 2.258 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000468898286 560941725 /nfs/dbraw/zinc/94/17/25/560941725.db2.gz JOBRLBUOBNUPOA-UHFFFAOYSA-N -1 0 350.352 2.339 20 5 FEBDRM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000475828180 561106451 /nfs/dbraw/zinc/10/64/51/561106451.db2.gz JXCRVSKTUQEJPB-UHFFFAOYSA-N -1 0 352.303 2.117 20 5 FEBDRM COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476665319 561125550 /nfs/dbraw/zinc/12/55/50/561125550.db2.gz SQGJOKXRFOGRNU-MRXNPFEDSA-N -1 0 356.334 2.213 20 5 FEBDRM O=C([O-])COc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000532597159 562482824 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356.381 2.141 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2O)cc1[N+](=O)[O-] ZINC000541791177 567832931 /nfs/dbraw/zinc/83/29/31/567832931.db2.gz SHKYRUBMKCRVJK-UHFFFAOYSA-N -1 0 366.351 2.312 20 5 FEBDRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000568713173 568137441 /nfs/dbraw/zinc/13/74/41/568137441.db2.gz HMOGROAKBHZUQA-QGZVFWFLSA-N -1 0 369.377 2.358 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000568825607 568233814 /nfs/dbraw/zinc/23/38/14/568233814.db2.gz PGOVOKMLVGEGKV-CQSZACIVSA-N -1 0 368.342 2.147 20 5 FEBDRM CCc1ccc(S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000570097420 568450636 /nfs/dbraw/zinc/45/06/36/568450636.db2.gz CHYVRNSFXUHLBR-JTQLQIEISA-N -1 0 358.416 2.325 20 5 FEBDRM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000584716302 568549348 /nfs/dbraw/zinc/54/93/48/568549348.db2.gz GIYRGYVWPMRTFE-GWCFXTLKSA-N -1 0 356.400 2.492 20 5 FEBDRM C[C@@H]1CCC[C@H](C)N(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000570926363 568719641 /nfs/dbraw/zinc/71/96/41/568719641.db2.gz WNGNCYQEIUZYTO-MNOVXSKESA-N -1 0 356.400 2.492 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000556775165 674419053 /nfs/dbraw/zinc/41/90/53/674419053.db2.gz RXCUTLRKHSUPJF-FZMZJTMJSA-N -1 0 356.400 2.023 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013166272 597236788 /nfs/dbraw/zinc/23/67/88/597236788.db2.gz UUXVQTTVTVGYEF-UHFFFAOYSA-N -1 0 359.294 2.440 20 5 FEBDRM O=C([O-])c1cccc(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000821549115 598145273 /nfs/dbraw/zinc/14/52/73/598145273.db2.gz GYDMKHRBAWOGIB-UHFFFAOYSA-N -1 0 370.317 2.039 20 5 FEBDRM O=C([O-])Cc1ccccc1NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000761646034 598207842 /nfs/dbraw/zinc/20/78/42/598207842.db2.gz AKXBEORDLGSHAR-UHFFFAOYSA-N -1 0 358.335 2.479 20 5 FEBDRM O=C1OCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc21 ZINC000808125499 674442749 /nfs/dbraw/zinc/44/27/49/674442749.db2.gz AZQAHJVFNJSTSO-UHFFFAOYSA-N -1 0 352.299 2.205 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000808581973 674464056 /nfs/dbraw/zinc/46/40/56/674464056.db2.gz NSQLLTSIEVCXRW-JTQLQIEISA-N -1 0 369.277 2.122 20 5 FEBDRM COc1ccc(CC(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1[N+](=O)[O-] ZINC000737983309 599733096 /nfs/dbraw/zinc/73/30/96/599733096.db2.gz UCYZWLITQZZUIV-UHFFFAOYSA-N -1 0 356.334 2.433 20 5 FEBDRM O=C([O-])c1cc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc([N+](=O)[O-])c1 ZINC000740074087 599741759 /nfs/dbraw/zinc/74/17/59/599741759.db2.gz HBHHZXQWQRFPSX-UHFFFAOYSA-N -1 0 353.294 2.330 20 5 FEBDRM COc1ccc([C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000554099990 599755633 /nfs/dbraw/zinc/75/56/33/599755633.db2.gz HIVFQCWKPSXZJM-HNNXBMFYSA-N -1 0 360.322 2.168 20 5 FEBDRM O=C([O-])CCN(Cc1ccccc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000739723033 599777865 /nfs/dbraw/zinc/77/78/65/599777865.db2.gz CHONWPJDUSAILO-UHFFFAOYSA-N -1 0 371.349 2.437 20 5 FEBDRM Cc1[nH]c(C(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C)c1C(=O)[O-] ZINC000738154684 599794183 /nfs/dbraw/zinc/79/41/83/599794183.db2.gz KFUSVSCHLAIDDK-UHFFFAOYSA-N -1 0 369.337 2.379 20 5 FEBDRM O=C([O-])c1cc(C(=O)OCc2cn(-c3ccccc3)nn2)cc([N+](=O)[O-])c1 ZINC000738672861 599943898 /nfs/dbraw/zinc/94/38/98/599943898.db2.gz LPHKYHPHGBYWAI-UHFFFAOYSA-N -1 0 368.305 2.231 20 5 FEBDRM Cc1cc(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)ccc1C(=O)[O-] ZINC000738459167 599961327 /nfs/dbraw/zinc/96/13/27/599961327.db2.gz KXCLODGHAJRAHN-UHFFFAOYSA-N -1 0 373.321 2.381 20 5 FEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738889824 599976543 /nfs/dbraw/zinc/97/65/43/599976543.db2.gz WAPXTIBTHUORAY-ZDUSSCGKSA-N -1 0 351.265 2.132 20 5 FEBDRM O=C([O-])c1cccc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000740217194 600020591 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/nfs/dbraw/zinc/31/53/10/680315310.db2.gz IVBHGUNWBFRKJO-UHFFFAOYSA-N -1 0 354.718 2.098 20 5 FEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccsc2C(N)=O)cc1[N+](=O)[O-] ZINC000755020547 680394596 /nfs/dbraw/zinc/39/45/96/680394596.db2.gz SMLUJBPNIITEAV-UHFFFAOYSA-N -1 0 355.397 2.173 20 5 FEBDRM Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000755686931 680428926 /nfs/dbraw/zinc/42/89/26/680428926.db2.gz MWLUBIWBFBPWTO-JTQLQIEISA-N -1 0 367.358 2.046 20 5 FEBDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000755909989 680444490 /nfs/dbraw/zinc/44/44/90/680444490.db2.gz JOLTXCZJMIZRMI-UHFFFAOYSA-N -1 0 352.343 2.172 20 5 FEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000757296029 680521069 /nfs/dbraw/zinc/52/10/69/680521069.db2.gz NZZAKXRQYXGZJE-UHFFFAOYSA-N -1 0 356.400 2.379 20 5 FEBDRM CCc1cccnc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000766624251 680883116 /nfs/dbraw/zinc/88/31/16/680883116.db2.gz GDJHNHWAQUBOJW-UHFFFAOYSA-N -1 0 369.786 2.324 20 5 FEBDRM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000841552000 680896257 /nfs/dbraw/zinc/89/62/57/680896257.db2.gz RHNBMMOLURONTP-ZETCQYMHSA-N -1 0 362.770 2.160 20 5 FEBDRM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)cn21 ZINC000841674930 680905719 /nfs/dbraw/zinc/90/57/19/680905719.db2.gz KKKHDNGZZBAYKB-VIFPVBQESA-N -1 0 351.388 2.072 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000842405388 680944794 /nfs/dbraw/zinc/94/47/94/680944794.db2.gz KUBBJMWXJMZSNC-UHFFFAOYSA-N -1 0 354.306 2.192 20 5 FEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC2(CCC2)C1 ZINC000842736829 680963133 /nfs/dbraw/zinc/96/31/33/680963133.db2.gz NHRNTCRBJPRYPG-UHFFFAOYSA-N -1 0 352.412 2.164 20 5 FEBDRM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768886742 680963485 /nfs/dbraw/zinc/96/34/85/680963485.db2.gz LYPLUTVHXVAKEF-UHFFFAOYSA-N -1 0 367.408 2.366 20 5 FEBDRM C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000769289947 680976872 /nfs/dbraw/zinc/97/68/72/680976872.db2.gz DVXZYFWXTMLPDA-VHSXEESVSA-N -1 0 371.371 2.134 20 5 FEBDRM CCOC(=O)N1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843754927 681016728 /nfs/dbraw/zinc/01/67/28/681016728.db2.gz VBVXAKTZTIZZDX-UHFFFAOYSA-N -1 0 371.777 2.305 20 5 FEBDRM O=C(NC1CCC2(CC1)OCCO2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843768706 681017343 /nfs/dbraw/zinc/01/73/43/681017343.db2.gz JWEFGIHJRFPBTL-UHFFFAOYSA-N -1 0 356.762 2.369 20 5 FEBDRM O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000843876476 681023498 /nfs/dbraw/zinc/02/34/98/681023498.db2.gz ZZZOZTSIHKSDOP-UHFFFAOYSA-N -1 0 351.750 2.092 20 5 FEBDRM Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000770776959 681027409 /nfs/dbraw/zinc/02/74/09/681027409.db2.gz XLOOJRNMOBALTO-VIFPVBQESA-N -1 0 356.331 2.244 20 5 FEBDRM O=C(Nc1nc(Br)ccc1O)c1cccc([N+](=O)[O-])c1[O-] ZINC000771575899 681060472 /nfs/dbraw/zinc/06/04/72/681060472.db2.gz ZTDGOSOHHFWUET-UHFFFAOYSA-N -1 0 354.116 2.416 20 5 FEBDRM O=C([O-])[C@@H]1CC(=O)N(C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000844928955 681093837 /nfs/dbraw/zinc/09/38/37/681093837.db2.gz LRMDRBVJWWHSKW-SNVBAGLBSA-N -1 0 367.789 2.150 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C=C2CCSCC2)cc([N+](=O)[O-])c1C ZINC000772631335 681105522 /nfs/dbraw/zinc/10/55/22/681105522.db2.gz FTCIIEQGLQYJHM-UHFFFAOYSA-N -1 0 370.452 2.470 20 5 FEBDRM CC(C)OC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000772983707 681121086 /nfs/dbraw/zinc/12/10/86/681121086.db2.gz LFQMXXVGRMAWRZ-UHFFFAOYSA-N -1 0 351.359 2.040 20 5 FEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845489690 681132154 /nfs/dbraw/zinc/13/21/54/681132154.db2.gz FRLODCPISBRRFL-IJEWVQPXSA-N -1 0 364.423 2.186 20 5 FEBDRM CCc1nc(C(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)co1 ZINC000773949600 681161776 /nfs/dbraw/zinc/16/17/76/681161776.db2.gz ZRHDZFQIKPDPMG-UHFFFAOYSA-N -1 0 373.774 2.226 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]2(C)C(C)C)ccc1[N+](=O)[O-] ZINC000774183828 681171866 /nfs/dbraw/zinc/17/18/66/681171866.db2.gz MLEKJEUDDPLCAQ-IAQYHMDHSA-N -1 0 356.400 2.091 20 5 FEBDRM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000774938793 681254199 /nfs/dbraw/zinc/25/41/99/681254199.db2.gz DYUQTMKPVOJEQM-UHFFFAOYSA-N -1 0 356.203 2.098 20 5 FEBDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000775221849 681286475 /nfs/dbraw/zinc/28/64/75/681286475.db2.gz OPZONCAXNPDLBB-UHFFFAOYSA-N -1 0 358.759 2.197 20 5 FEBDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000775241570 681289480 /nfs/dbraw/zinc/28/94/80/681289480.db2.gz SGUSFROEMWMGCR-UHFFFAOYSA-N -1 0 358.759 2.197 20 5 FEBDRM O=C([N-]OC1CCCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000775276718 681291305 /nfs/dbraw/zinc/29/13/05/681291305.db2.gz UABZKWFYAXEXTN-NSHDSACASA-N -1 0 353.400 2.251 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775288245 681293120 /nfs/dbraw/zinc/29/31/20/681293120.db2.gz JULXVUMJWKXZEQ-UHFFFAOYSA-N -1 0 370.408 2.400 20 5 FEBDRM O=C([N-]Cc1nc(C(F)(F)F)n[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000775907457 681347076 /nfs/dbraw/zinc/34/70/76/681347076.db2.gz QMBPRSVWIOUBFK-UHFFFAOYSA-N -1 0 365.218 2.140 20 5 FEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000776126006 681364809 /nfs/dbraw/zinc/36/48/09/681364809.db2.gz MJURXSJLVZPYHE-UHFFFAOYSA-N -1 0 362.363 2.052 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)NCC(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000776571246 681408561 /nfs/dbraw/zinc/40/85/61/681408561.db2.gz MWVURORHELKWIB-UHFFFAOYSA-N -1 0 364.807 2.336 20 5 FEBDRM CC(C)(C)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1 ZINC000847657655 681412088 /nfs/dbraw/zinc/41/20/88/681412088.db2.gz FCOSXELTUDBTJR-UHFFFAOYSA-N -1 0 363.395 2.406 20 5 FEBDRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000847892477 681447901 /nfs/dbraw/zinc/44/79/01/681447901.db2.gz BZSDEWUTXXGDMB-HNNXBMFYSA-N -1 0 363.395 2.235 20 5 FEBDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000847894017 681448302 /nfs/dbraw/zinc/44/83/02/681448302.db2.gz WXPITBJMODSHIU-NSHDSACASA-N -1 0 355.416 2.401 20 5 FEBDRM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1 ZINC000777621054 681512532 /nfs/dbraw/zinc/51/25/32/681512532.db2.gz NWQBOHDUVPACDP-UHFFFAOYSA-N -1 0 362.161 2.455 20 5 FEBDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000777673423 681520905 /nfs/dbraw/zinc/52/09/05/681520905.db2.gz VLYMEJGCDVOXPP-UHFFFAOYSA-N -1 0 366.355 2.277 20 5 FEBDRM C[C@H](C[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000848685055 681600875 /nfs/dbraw/zinc/60/08/75/681600875.db2.gz YRZWCFBOLPUYJJ-GHMZBOCLSA-N -1 0 374.390 2.388 20 5 FEBDRM CC(C)n1cc2c(n1)[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])CCC2 ZINC000849385696 681706828 /nfs/dbraw/zinc/70/68/28/681706828.db2.gz 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CSc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000781634291 681954784 /nfs/dbraw/zinc/95/47/84/681954784.db2.gz FMOUIENPHSHGEW-UHFFFAOYSA-N -1 0 367.408 2.018 20 5 FEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000850860080 681969802 /nfs/dbraw/zinc/96/98/02/681969802.db2.gz YDPQOGSWBAIKLR-HLTSFMKQSA-N -1 0 373.818 2.072 20 5 FEBDRM CCC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000850885476 681974098 /nfs/dbraw/zinc/97/40/98/681974098.db2.gz FZJVOCHVAAKLEX-ZYHUDNBSSA-N -1 0 374.390 2.134 20 5 FEBDRM CCC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000781844598 681979824 /nfs/dbraw/zinc/97/98/24/681979824.db2.gz NRWONPDRHNDSIG-GHMZBOCLSA-N -1 0 374.390 2.134 20 5 FEBDRM O=C(O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851178329 682030666 /nfs/dbraw/zinc/03/06/66/682030666.db2.gz KGRGDGOJJXNIEX-KKOKHZNYSA-N -1 0 358.272 2.059 20 5 FEBDRM 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ZINC000507021076 561714296 /nfs/dbraw/zinc/71/42/96/561714296.db2.gz LPCSCKPZYGWTNN-UHFFFAOYSA-N -1 0 369.355 2.177 20 5 FEBDRM CC(=O)c1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000507630841 561735726 /nfs/dbraw/zinc/73/57/26/561735726.db2.gz UIVVHNPFSQAQFU-UHFFFAOYSA-N -1 0 354.315 2.443 20 5 FEBDRM CCSCCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000507743056 561739615 /nfs/dbraw/zinc/73/96/15/561739615.db2.gz RLXOTQDTVQNAAR-UHFFFAOYSA-N -1 0 362.429 2.023 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCOC2)c1[N+](=O)[O-] ZINC000508082021 561750551 /nfs/dbraw/zinc/75/05/51/561750551.db2.gz FMSMZPXUMZGXAS-GFCCVEGCSA-N -1 0 368.333 2.211 20 5 FEBDRM COCc1cnc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000508082219 561750599 /nfs/dbraw/zinc/75/05/99/561750599.db2.gz GAJKMKCJSFJXML-UHFFFAOYSA-N -1 0 359.385 2.007 20 5 FEBDRM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000330725873 554163668 /nfs/dbraw/zinc/16/36/68/554163668.db2.gz ZQXXYMUSQFNTTF-GFCCVEGCSA-N -1 0 363.414 2.315 20 5 FEBDRM NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509261240 561792785 /nfs/dbraw/zinc/79/27/85/561792785.db2.gz AEEQROPECQAPHF-UHFFFAOYSA-N -1 0 373.437 2.035 20 5 FEBDRM CO[C@H](C)c1nc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)s[n-]1 ZINC000511106883 561857225 /nfs/dbraw/zinc/85/72/25/561857225.db2.gz PPXBELFRWLOXBM-SSDOTTSWSA-N -1 0 356.791 2.410 20 5 FEBDRM O=[N+]([O-])c1ccc(-c2nc(Cn3cc(Br)cn3)no2)cc1[O-] ZINC000350647251 554804104 /nfs/dbraw/zinc/80/41/04/554804104.db2.gz ROMXRGTZVKVECX-UHFFFAOYSA-N -1 0 366.131 2.358 20 5 FEBDRM Cc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cnn1CC1CCOCC1 ZINC000363735482 555175029 /nfs/dbraw/zinc/17/50/29/555175029.db2.gz KEBZTRORBFAQBY-UHFFFAOYSA-N -1 0 360.370 2.484 20 5 FEBDRM CN1Cc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000364369513 555300583 /nfs/dbraw/zinc/30/05/83/555300583.db2.gz PGFGSQSXQRLNFP-UHFFFAOYSA-N -1 0 362.367 2.373 20 5 FEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(c2ncccc2F)CC1 ZINC000364778280 555400410 /nfs/dbraw/zinc/40/04/10/555400410.db2.gz ZAXHFEVQXRQAPY-UHFFFAOYSA-N -1 0 360.345 2.187 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000365117563 555489647 /nfs/dbraw/zinc/48/96/47/555489647.db2.gz OOUZLZULXFWTEQ-UHFFFAOYSA-N -1 0 364.383 2.295 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000365374959 555557072 /nfs/dbraw/zinc/55/70/72/555557072.db2.gz CSNLFFCNUNVEIL-UHFFFAOYSA-N -1 0 356.260 2.241 20 5 FEBDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000513812201 561950931 /nfs/dbraw/zinc/95/09/31/561950931.db2.gz GOUWPSBLPHBLHL-UHFFFAOYSA-N -1 0 350.352 2.427 20 5 FEBDRM COCC1(C(=O)[O-])CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000366459285 555850214 /nfs/dbraw/zinc/85/02/14/555850214.db2.gz XDIWRLLVOTXUFZ-UHFFFAOYSA-N -1 0 368.411 2.270 20 5 FEBDRM O=C([O-])[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000366727231 555919056 /nfs/dbraw/zinc/91/90/56/555919056.db2.gz CGOYDCSAKJHXSC-LLVKDONJSA-N -1 0 374.421 2.091 20 5 FEBDRM O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1)c1ccco1 ZINC000367274373 556005190 /nfs/dbraw/zinc/00/51/90/556005190.db2.gz LYJDRCVOAOFCPH-GFCCVEGCSA-N -1 0 373.365 2.176 20 5 FEBDRM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367696699 556117285 /nfs/dbraw/zinc/11/72/85/556117285.db2.gz IWARUSSDLLSVBS-JTQLQIEISA-N -1 0 362.773 2.358 20 5 FEBDRM CC[C@H](C)C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000514862784 561983997 /nfs/dbraw/zinc/98/39/97/561983997.db2.gz JTGKYSXKRSHXHS-XHDPSFHLSA-N -1 0 360.370 2.400 20 5 FEBDRM CC[C@H](C)C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000514862782 561984031 /nfs/dbraw/zinc/98/40/31/561984031.db2.gz JTGKYSXKRSHXHS-NHYWBVRUSA-N -1 0 360.370 2.400 20 5 FEBDRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000514878915 561984821 /nfs/dbraw/zinc/98/48/21/561984821.db2.gz PHFRATQFGFQTJI-UHFFFAOYSA-N -1 0 350.352 2.491 20 5 FEBDRM Cc1cc(C2=CCN(C(=O)[C@@H]3CC[C@@H]3C(=O)[O-])CC2)cc([N+](=O)[O-])c1N ZINC000368508437 556330788 /nfs/dbraw/zinc/33/07/88/556330788.db2.gz SAAIWEIRPAUIIN-KGLIPLIRSA-N -1 0 359.382 2.212 20 5 FEBDRM Cc1nnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2)n1C ZINC000368961273 556460205 /nfs/dbraw/zinc/46/02/05/556460205.db2.gz WCAZPFNFIWGQMB-INIZCTEOSA-N -1 0 367.365 2.257 20 5 FEBDRM CN(C(=O)[C@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC2)C1CC1 ZINC000371418173 557180288 /nfs/dbraw/zinc/18/02/88/557180288.db2.gz MVHLYAOAFCIEJG-CQSZACIVSA-N -1 0 373.409 2.164 20 5 FEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCO[C@@H](COc2ccccc2)C1 ZINC000517952550 562101400 /nfs/dbraw/zinc/10/14/00/562101400.db2.gz SWFGSKLQINSHEG-OAHLLOKOSA-N -1 0 358.350 2.220 20 5 FEBDRM CSCC[C@H](C)N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000518986437 562122630 /nfs/dbraw/zinc/12/26/30/562122630.db2.gz NYZBTZHZTVYCMS-VIFPVBQESA-N -1 0 362.429 2.055 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1-c1nc[nH]n1 ZINC000373086721 557625683 /nfs/dbraw/zinc/62/56/83/557625683.db2.gz DVRAGAMMRVRPII-UHFFFAOYSA-N -1 0 359.367 2.489 20 5 FEBDRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000520190725 562150370 /nfs/dbraw/zinc/15/03/70/562150370.db2.gz IMDIBJLDZMHVPM-UHFFFAOYSA-N -1 0 359.317 2.280 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1[nH][nH]c(-c2ccncc2)c1C ZINC000373796806 557760693 /nfs/dbraw/zinc/76/06/93/557760693.db2.gz XKXNZBCHUJHSAC-UHFFFAOYSA-N -1 0 353.338 2.949 20 5 FEBDRM CC[C@H](CSC)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000520575295 562159501 /nfs/dbraw/zinc/15/95/01/562159501.db2.gz HVDFNZQSNRRTKB-SECBINFHSA-N -1 0 362.429 2.055 20 5 FEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000520745807 562162534 /nfs/dbraw/zinc/16/25/34/562162534.db2.gz OSPSNSIBVUFXMT-IINYFYTJSA-N -1 0 358.416 2.331 20 5 FEBDRM O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000374096649 557822663 /nfs/dbraw/zinc/82/26/63/557822663.db2.gz YUVVXSGIIXBWMJ-KZULUSFZSA-N -1 0 370.365 2.107 20 5 FEBDRM COC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1c1ccccc1 ZINC000374098930 557823013 /nfs/dbraw/zinc/82/30/13/557823013.db2.gz IMFSBEXZAQJQCV-LSDHHAIUSA-N -1 0 370.361 2.329 20 5 FEBDRM O=C1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cccc21 ZINC000374841114 557939219 /nfs/dbraw/zinc/93/92/19/557939219.db2.gz PWMHOCKZTXFLEV-UHFFFAOYSA-N -1 0 354.365 2.422 20 5 FEBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2ccccn2)CC1 ZINC000375684592 558067230 /nfs/dbraw/zinc/06/72/30/558067230.db2.gz GLBXQLAYYSPPOP-UHFFFAOYSA-N -1 0 356.382 2.436 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(C(=O)N2CCCCC2)CC1 ZINC000378379235 558544084 /nfs/dbraw/zinc/54/40/84/558544084.db2.gz SBNMEYAAPNYOQK-UHFFFAOYSA-N -1 0 361.398 2.165 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000391410817 558614218 /nfs/dbraw/zinc/61/42/18/558614218.db2.gz OULQJPLQRFPNSR-LBPRGKRZSA-N -1 0 356.381 2.069 20 5 FEBDRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000392177187 558616074 /nfs/dbraw/zinc/61/60/74/558616074.db2.gz VRPNUNPNLKKKDP-UHFFFAOYSA-N -1 0 350.352 2.491 20 5 FEBDRM O=C([O-])[C@@H]1CCCCCCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000392281586 558617019 /nfs/dbraw/zinc/61/70/19/558617019.db2.gz SPEMDZYQMXONLZ-AWEZNQCLSA-N -1 0 356.400 2.144 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)(C)C ZINC000392342392 558617203 /nfs/dbraw/zinc/61/72/03/558617203.db2.gz CNTDDTDMGOWOHX-LLVKDONJSA-N -1 0 358.416 2.461 20 5 FEBDRM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000393067856 558620530 /nfs/dbraw/zinc/62/05/30/558620530.db2.gz UTBTUKUZZWIYTR-UHFFFAOYSA-N -1 0 367.358 2.171 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1OC ZINC000410351034 558752703 /nfs/dbraw/zinc/75/27/03/558752703.db2.gz CPBLUZKHPYROMV-UHFFFAOYSA-N -1 0 366.351 2.191 20 5 FEBDRM O=c1[nH]nc(SCc2cc([O-])ccc2[N+](=O)[O-])n1C[C@H]1CCCO1 ZINC000412986876 559069083 /nfs/dbraw/zinc/06/90/83/559069083.db2.gz XTAYIHMEYBZTLG-LLVKDONJSA-N -1 0 352.372 2.069 20 5 FEBDRM CCn1cc(S(=O)(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000414332579 559156887 /nfs/dbraw/zinc/15/68/87/559156887.db2.gz VKVVZYYYMUHXKM-JTQLQIEISA-N -1 0 367.383 2.154 20 5 FEBDRM Cc1cc(N[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)c(F)cc1[N+](=O)[O-] ZINC000416444582 559313174 /nfs/dbraw/zinc/31/31/74/559313174.db2.gz IWNGIRBTDWMWJV-FZMZJTMJSA-N -1 0 353.350 2.164 20 5 FEBDRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1=O ZINC000416447953 559313499 /nfs/dbraw/zinc/31/34/99/559313499.db2.gz SNRIVEHIRKWLGU-HIFRSBDPSA-N -1 0 372.381 2.265 20 5 FEBDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)n1 ZINC000421232103 559532541 /nfs/dbraw/zinc/53/25/41/559532541.db2.gz KGHPFAMBZNVMMN-CQSZACIVSA-N -1 0 365.411 2.298 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000424367695 559662043 /nfs/dbraw/zinc/66/20/43/559662043.db2.gz NKAOGBQTNWEBAV-YMTOWFKASA-N -1 0 356.400 2.085 20 5 FEBDRM CCn1cc(-c2nn(C)cc2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000427629374 559759198 /nfs/dbraw/zinc/75/91/98/559759198.db2.gz MIIFTIJLZSKFJJ-UHFFFAOYSA-N -1 0 356.342 2.170 20 5 FEBDRM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C(=O)[O-] ZINC000427783812 559762454 /nfs/dbraw/zinc/76/24/54/559762454.db2.gz WIILODKJVNWTGB-HNNXBMFYSA-N -1 0 360.322 2.217 20 5 FEBDRM O=C(c1s[n-]c(=O)c1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427973171 559766686 /nfs/dbraw/zinc/76/66/86/559766686.db2.gz OVQPLDHOGXMIOV-UHFFFAOYSA-N -1 0 355.759 2.445 20 5 FEBDRM COCC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc21 ZINC000428307604 559773254 /nfs/dbraw/zinc/77/32/54/559773254.db2.gz VPKZFHDTQIFKLV-UHFFFAOYSA-N -1 0 371.349 2.088 20 5 FEBDRM COc1ccc(Cn2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)n2)cc1 ZINC000428502225 559776760 /nfs/dbraw/zinc/77/67/60/559776760.db2.gz HVTRFWKPSKFQBJ-UHFFFAOYSA-N -1 0 368.349 2.806 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(NC(N)=O)c1 ZINC000431172168 559835456 /nfs/dbraw/zinc/83/54/56/559835456.db2.gz ITIPKLPABLOBRP-UHFFFAOYSA-N -1 0 368.346 2.334 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c([N+](=O)[O-])n1 ZINC000431632976 559843031 /nfs/dbraw/zinc/84/30/31/559843031.db2.gz BJDMRIYVRQFWJQ-LLVKDONJSA-N -1 0 360.342 2.096 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c([N+](=O)[O-])n1 ZINC000435727673 559929027 /nfs/dbraw/zinc/92/90/27/559929027.db2.gz DOVMWRGGTOWQRJ-UHFFFAOYSA-N -1 0 350.278 2.029 20 5 FEBDRM O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436580108 559945744 /nfs/dbraw/zinc/94/57/44/559945744.db2.gz FEOUYTCJDDZMSX-NSHDSACASA-N -1 0 366.320 2.160 20 5 FEBDRM COc1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000436640327 559947270 /nfs/dbraw/zinc/94/72/70/559947270.db2.gz VKSSTFNPEMZLBM-UHFFFAOYSA-N -1 0 362.338 2.256 20 5 FEBDRM COCCN(Cc1scnc1C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436823750 559953189 /nfs/dbraw/zinc/95/31/89/559953189.db2.gz WYKGRAMIZNIHEG-UHFFFAOYSA-N -1 0 351.384 2.354 20 5 FEBDRM COC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(F)cc1 ZINC000436830204 559953420 /nfs/dbraw/zinc/95/34/20/559953420.db2.gz CRCPPZFEWRVXKD-QGZVFWFLSA-N -1 0 362.313 2.258 20 5 FEBDRM Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000436826734 559953465 /nfs/dbraw/zinc/95/34/65/559953465.db2.gz LRAPZBCDKTUQEU-SNVBAGLBSA-N -1 0 368.353 2.280 20 5 FEBDRM NC(=O)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C2CC2)c(F)c1 ZINC000436843929 559953994 /nfs/dbraw/zinc/95/39/94/559953994.db2.gz BQLHNWSDMMAOBG-UHFFFAOYSA-N -1 0 373.340 2.343 20 5 FEBDRM CN(C)C(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000436967648 559957913 /nfs/dbraw/zinc/95/79/13/559957913.db2.gz QXHPWPSZYJHCSN-HNNXBMFYSA-N -1 0 357.366 2.250 20 5 FEBDRM O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436986581 559958641 /nfs/dbraw/zinc/95/86/41/559958641.db2.gz KJBOMZPKAKVCOM-IUODEOHRSA-N -1 0 366.320 2.268 20 5 FEBDRM CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccc(O)c1 ZINC000436994047 559959074 /nfs/dbraw/zinc/95/90/74/559959074.db2.gz ABWKCWPATUAOTM-HNNXBMFYSA-N -1 0 360.322 2.040 20 5 FEBDRM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1C ZINC000439572224 559997063 /nfs/dbraw/zinc/99/70/63/559997063.db2.gz QRJNHEWWSZEURL-UHFFFAOYSA-N -1 0 367.383 2.219 20 5 FEBDRM Cn1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000442219405 560046157 /nfs/dbraw/zinc/04/61/57/560046157.db2.gz GZQNZGUVPYAMMK-UHFFFAOYSA-N -1 0 350.278 2.148 20 5 FEBDRM Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000443033077 560066812 /nfs/dbraw/zinc/06/68/12/560066812.db2.gz MGIMZQDFOGUHEH-UHFFFAOYSA-N -1 0 356.338 2.391 20 5 FEBDRM Cc1cc(N2CCNC2=O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000443036058 560067029 /nfs/dbraw/zinc/06/70/29/560067029.db2.gz WHMFVLAVLMWXGH-UHFFFAOYSA-N -1 0 356.338 2.391 20 5 FEBDRM O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444026772 560099458 /nfs/dbraw/zinc/09/94/58/560099458.db2.gz ZDOZEYMWMHGUGX-UHFFFAOYSA-N -1 0 374.404 2.394 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(OC(C)C)nn1 ZINC000446970014 560154464 /nfs/dbraw/zinc/15/44/64/560154464.db2.gz UMHYOJRNRDWZLA-UHFFFAOYSA-N -1 0 352.372 2.281 20 5 FEBDRM COC(=O)c1cc(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)cc([N+](=O)[O-])c1 ZINC000447798983 560169309 /nfs/dbraw/zinc/16/93/09/560169309.db2.gz DDCUTDGAYWQZLT-UHFFFAOYSA-N -1 0 370.321 2.925 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000451806480 560329684 /nfs/dbraw/zinc/32/96/84/560329684.db2.gz WRXZJPUAVZEDEM-NSHDSACASA-N -1 0 358.391 2.362 20 5 FEBDRM CC(C)[C@@H](CO)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000451855406 560332698 /nfs/dbraw/zinc/33/26/98/560332698.db2.gz ONSGBPYAQPQYJZ-BXUZGUMPSA-N -1 0 362.423 2.301 20 5 FEBDRM COc1n[n-]c(=NC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000455278383 560476422 /nfs/dbraw/zinc/47/64/22/560476422.db2.gz UXVFQNAAMVXSMB-NSHDSACASA-N -1 0 363.399 2.866 20 5 FEBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000456943999 560539529 /nfs/dbraw/zinc/53/95/29/560539529.db2.gz WWRLLRKIZCQAHZ-UHFFFAOYSA-N -1 0 361.320 2.399 20 5 FEBDRM COC(=O)[C@@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000456975342 560541639 /nfs/dbraw/zinc/54/16/39/560541639.db2.gz HMHFOMJZBGRKMV-HUUCEWRRSA-N -1 0 370.361 2.329 20 5 FEBDRM COC(=O)[C@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000456975341 560541689 /nfs/dbraw/zinc/54/16/89/560541689.db2.gz HMHFOMJZBGRKMV-GJZGRUSLSA-N -1 0 370.361 2.329 20 5 FEBDRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)on2)cc([N+](=O)[O-])c1C ZINC000462382060 560808111 /nfs/dbraw/zinc/80/81/11/560808111.db2.gz VJQHUERJLSKDHY-UHFFFAOYSA-N -1 0 369.355 2.177 20 5 FEBDRM COc1ccccc1N1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000468932207 560942752 /nfs/dbraw/zinc/94/27/52/560942752.db2.gz LXBQYGZHMYFGBH-UHFFFAOYSA-N -1 0 357.366 2.271 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000469217457 560950196 /nfs/dbraw/zinc/95/01/96/560950196.db2.gz OZSIMPIWBCOZEZ-HSZRJFAPSA-N -1 0 370.408 2.142 20 5 FEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000473239953 561045324 /nfs/dbraw/zinc/04/53/24/561045324.db2.gz CDPLSJLWXCVEIR-UHFFFAOYSA-N -1 0 372.366 2.250 20 5 FEBDRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473351771 561048132 /nfs/dbraw/zinc/04/81/32/561048132.db2.gz RBPJJRLAIKSJDL-UHFFFAOYSA-N -1 0 353.331 2.358 20 5 FEBDRM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000474186198 561067841 /nfs/dbraw/zinc/06/78/41/561067841.db2.gz UZKIGDCIJUNLCB-CYBMUJFWSA-N -1 0 368.386 2.270 20 5 FEBDRM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000475826464 561106355 /nfs/dbraw/zinc/10/63/55/561106355.db2.gz CJNWJFKLCUCUOQ-UHFFFAOYSA-N -1 0 374.378 2.237 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)C=C([O-])c2ccc3c(c2)OCCO3)cc1 ZINC000477049589 561135231 /nfs/dbraw/zinc/13/52/31/561135231.db2.gz OJQMWDZWTZSUQR-UHFFFAOYSA-N -1 0 363.347 2.023 20 5 FEBDRM COc1ccccc1C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000540666142 562590824 /nfs/dbraw/zinc/59/08/24/562590824.db2.gz GAKISCYBQPBHDL-CYBMUJFWSA-N -1 0 358.350 2.277 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)C3CC3)n2)c([N+](=O)[O-])n1 ZINC000541304491 562608559 /nfs/dbraw/zinc/60/85/59/562608559.db2.gz YXWCSZQCOGIKNB-SNVBAGLBSA-N -1 0 368.419 2.088 20 5 FEBDRM Cc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC000546264957 562635524 /nfs/dbraw/zinc/63/55/24/562635524.db2.gz MCRIUXPJOCFUNF-UHFFFAOYSA-N -1 0 368.342 2.219 20 5 FEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000550105161 562642548 /nfs/dbraw/zinc/64/25/48/562642548.db2.gz MMKJPVIFXDKIAE-UHFFFAOYSA-N -1 0 354.428 2.091 20 5 FEBDRM O=C([O-])C1(NC(=O)NCCc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000568788304 568216926 /nfs/dbraw/zinc/21/69/26/568216926.db2.gz VIOSKTZELCWCRS-UHFFFAOYSA-N -1 0 369.377 2.059 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000569028482 568275811 /nfs/dbraw/zinc/27/58/11/568275811.db2.gz KXALPJSGOFPXMV-QMMMGPOBSA-N -1 0 351.750 2.092 20 5 FEBDRM COc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cc([N+](=O)[O-])c1C ZINC000569189186 568306924 /nfs/dbraw/zinc/30/69/24/568306924.db2.gz QSLMLDYWBMCHRL-CYBMUJFWSA-N -1 0 366.370 2.008 20 5 FEBDRM CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000569599398 568409074 /nfs/dbraw/zinc/40/90/74/568409074.db2.gz RUGVPUPAYKBRMP-MWLCHTKSSA-N -1 0 356.400 2.411 20 5 FEBDRM CCC[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H]1C(=O)[O-] ZINC000570049065 568443488 /nfs/dbraw/zinc/44/34/88/568443488.db2.gz ZXGZCWIUPWBUCM-CABZTGNLSA-N -1 0 362.429 2.229 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000556778198 674419619 /nfs/dbraw/zinc/41/96/19/674419619.db2.gz HYWGRAVNKMNQKB-HNNXBMFYSA-N -1 0 356.400 2.215 20 5 FEBDRM O=C([O-])c1ccc(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000819170395 597314877 /nfs/dbraw/zinc/31/48/77/597314877.db2.gz MEXRLANBGXWNST-UHFFFAOYSA-N -1 0 355.306 2.386 20 5 FEBDRM Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc([N+](=O)[O-])c1F ZINC000757925545 598095041 /nfs/dbraw/zinc/09/50/41/598095041.db2.gz KZWUKDGPUXNUIN-UHFFFAOYSA-N -1 0 368.342 2.470 20 5 FEBDRM O=C([O-])c1ccc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000821392037 598158887 /nfs/dbraw/zinc/15/88/87/598158887.db2.gz AUTUVRCFAXAXEQ-UHFFFAOYSA-N -1 0 362.269 2.228 20 5 FEBDRM CC(C)C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000819966996 598195194 /nfs/dbraw/zinc/19/51/94/598195194.db2.gz LFIOCNQAHDTMNQ-GFCCVEGCSA-N -1 0 361.354 2.137 20 5 FEBDRM COc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000558005968 599733021 /nfs/dbraw/zinc/73/30/21/599733021.db2.gz ZGNGENABJBBVPF-MRXNPFEDSA-N -1 0 370.361 2.184 20 5 FEBDRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000553755453 599757073 /nfs/dbraw/zinc/75/70/73/599757073.db2.gz NKXFARPUSBDMGW-HNNXBMFYSA-N -1 0 359.338 2.201 20 5 FEBDRM CCOc1ccc(NC(=O)CN[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000737203534 599784245 /nfs/dbraw/zinc/78/42/45/599784245.db2.gz OEMZIRLMIBDXGD-KRWDZBQOSA-N -1 0 373.365 2.348 20 5 FEBDRM CN1C(=O)Cc2cc(C(=O)COc3ccc(C(=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC000737509649 599883385 /nfs/dbraw/zinc/88/33/85/599883385.db2.gz SRUOCYCUBBIGCW-UHFFFAOYSA-N -1 0 370.317 2.074 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1C ZINC000566184106 599939177 /nfs/dbraw/zinc/93/91/77/599939177.db2.gz YUAMVBKPQVDMTD-LLVKDONJSA-N -1 0 356.400 2.085 20 5 FEBDRM O=C([O-])c1cccn2cc(COC(=O)CNc3ccccc3[N+](=O)[O-])nc12 ZINC000739308004 599989158 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Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740175900 602268805 /nfs/dbraw/zinc/26/88/05/602268805.db2.gz UVWFSXFGUYDOLY-VXGBXAGGSA-N -1 0 371.415 2.103 20 5 FEBDRM O=C([O-])NC1(c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)CCC1 ZINC000740548260 602417485 /nfs/dbraw/zinc/41/74/85/602417485.db2.gz GRQZFGCILVSXQW-UHFFFAOYSA-N -1 0 370.325 2.477 20 5 FEBDRM O=C([O-])N1CC[C@H](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000740389901 602420167 /nfs/dbraw/zinc/42/01/67/602420167.db2.gz YZHJDVOOLUUHAZ-LBPRGKRZSA-N -1 0 360.370 2.056 20 5 FEBDRM C[C@@](CNC(=O)[O-])(NC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000738924376 602425048 /nfs/dbraw/zinc/42/50/48/602425048.db2.gz IRXDJPRYBCHYQQ-HNNXBMFYSA-N -1 0 353.400 2.239 20 5 FEBDRM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000739098253 602429942 /nfs/dbraw/zinc/42/99/42/602429942.db2.gz VLUBYYSQQGCXHT-PXAZEXFGSA-N -1 0 365.386 2.306 20 5 FEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 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O=C([O-])NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000740645478 603038558 /nfs/dbraw/zinc/03/85/58/603038558.db2.gz XFIZKWILGWPLSV-QMMMGPOBSA-N -1 0 372.175 2.087 20 5 FEBDRM O=C([O-])N1CCC[C@H]1C(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740726751 603052905 /nfs/dbraw/zinc/05/29/05/603052905.db2.gz ZPOANQMNNRISMO-ZDUSSCGKSA-N -1 0 361.310 2.435 20 5 FEBDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000739213350 603096606 /nfs/dbraw/zinc/09/66/06/603096606.db2.gz WIMJPOQNRVFFMQ-QPUJVOFHSA-N -1 0 371.777 2.481 20 5 FEBDRM O=C([O-])NC[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000832562840 603111504 /nfs/dbraw/zinc/11/15/04/603111504.db2.gz SMNXZAOHYKOJEC-CYBMUJFWSA-N -1 0 362.386 2.067 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000830137682 603137141 /nfs/dbraw/zinc/13/71/41/603137141.db2.gz FFDRZUATLXWSMJ-YPMHNXCESA-N -1 0 371.415 2.008 20 5 FEBDRM CS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829695935 603199127 /nfs/dbraw/zinc/19/91/27/603199127.db2.gz NUKCKIGJFOQSGI-ZYHUDNBSSA-N -1 0 371.415 2.237 20 5 FEBDRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000739297501 603232202 /nfs/dbraw/zinc/23/22/02/603232202.db2.gz DGMQFOSHPPGQSU-OAHLLOKOSA-N -1 0 353.331 2.146 20 5 FEBDRM CC(C)C[C@](C)(CNC(=O)[O-])NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000738805095 603242531 /nfs/dbraw/zinc/24/25/31/603242531.db2.gz JLXRURFRKLQPIF-OAHLLOKOSA-N -1 0 373.431 2.087 20 5 FEBDRM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000738629017 603364840 /nfs/dbraw/zinc/36/48/40/603364840.db2.gz GJNVYALHMWRPGM-NXEZZACHSA-N -1 0 370.793 2.259 20 5 FEBDRM O=C([O-])N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000832015089 603378882 /nfs/dbraw/zinc/37/88/82/603378882.db2.gz IYYUSKFZJHIXQC-UHFFFAOYSA-N -1 0 361.276 2.440 20 5 FEBDRM Nc1c(C(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000831260343 603437971 /nfs/dbraw/zinc/43/79/71/603437971.db2.gz NGVMOGJDLRRWLO-QWHCGFSZSA-N -1 0 362.386 2.314 20 5 FEBDRM O=C([O-])N(CC1CC1)C1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000831826652 603490438 /nfs/dbraw/zinc/49/04/38/603490438.db2.gz SLHKCNXFDKNADL-UHFFFAOYSA-N -1 0 361.358 2.490 20 5 FEBDRM CC(C)(C)c1ccc(C(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1[N+](=O)[O-] ZINC000823858814 603628764 /nfs/dbraw/zinc/62/87/64/603628764.db2.gz CPONISPCMDOGGY-AWEZNQCLSA-N -1 0 364.354 2.371 20 5 FEBDRM COc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000829277476 603658287 /nfs/dbraw/zinc/65/82/87/603658287.db2.gz SMOKRMNJXJCTQQ-ZWNOBZJWSA-N -1 0 351.359 2.112 20 5 FEBDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000824191753 603660889 /nfs/dbraw/zinc/66/08/89/603660889.db2.gz WLEUPEACAWBMND-CYBMUJFWSA-N -1 0 352.391 2.419 20 5 FEBDRM CC[C@H](NC(=O)N1CCN(C(=O)[O-])[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000826608004 603681695 /nfs/dbraw/zinc/68/16/95/603681695.db2.gz RGVBRVCKMOLPCG-RISCZKNCSA-N -1 0 350.375 2.440 20 5 FEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830432124 603716094 /nfs/dbraw/zinc/71/60/94/603716094.db2.gz ABCNOIJBKAVJLI-DOMZBBRYSA-N -1 0 364.402 2.210 20 5 FEBDRM CCN(CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC1)C(=O)[O-] ZINC000827079832 603745799 /nfs/dbraw/zinc/74/57/99/603745799.db2.gz GUBFBGNHZRIZHX-UHFFFAOYSA-N -1 0 365.386 2.456 20 5 FEBDRM CCN(CC1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000827084104 603756972 /nfs/dbraw/zinc/75/69/72/603756972.db2.gz PZJGEOYYKLHMEJ-UHFFFAOYSA-N -1 0 365.386 2.456 20 5 FEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823714678 603842967 /nfs/dbraw/zinc/84/29/67/603842967.db2.gz QNSUXVJTMWDJLX-GXSJLCMTSA-N -1 0 370.793 2.259 20 5 FEBDRM CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1[N+](=O)[O-] ZINC000827423610 604023567 /nfs/dbraw/zinc/02/35/67/604023567.db2.gz QVSIEBDILOAXCV-OLZOCXBDSA-N -1 0 363.370 2.350 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1 ZINC000825272630 604054745 /nfs/dbraw/zinc/05/47/45/604054745.db2.gz MPZFPYJTSTVZGR-UWVGGRQHSA-N -1 0 361.358 2.116 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c1 ZINC000830427071 604073265 /nfs/dbraw/zinc/07/32/65/604073265.db2.gz CXLRKBYZVDPURC-UHFFFAOYSA-N -1 0 365.386 2.182 20 5 FEBDRM COc1ccc(CC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000829340179 604180370 /nfs/dbraw/zinc/18/03/70/604180370.db2.gz GAORYXPYMIFPBJ-DGCLKSJQSA-N -1 0 365.386 2.041 20 5 FEBDRM C[C@H](OC(=O)CC1(NC(=O)[O-])CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000825579698 604231550 /nfs/dbraw/zinc/23/15/50/604231550.db2.gz NQNDZFGZLQZYRD-JTQLQIEISA-N -1 0 365.342 2.045 20 5 FEBDRM Cc1cc(S(=O)(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000830132180 604238685 /nfs/dbraw/zinc/23/86/85/604238685.db2.gz 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CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000826995354 604443048 /nfs/dbraw/zinc/44/30/48/604443048.db2.gz INUSJDPXLPPGFV-SMDDNHRTSA-N -1 0 370.427 2.412 20 5 FEBDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000827011657 604446772 /nfs/dbraw/zinc/44/67/72/604446772.db2.gz QKASOHWYPVOHQA-OAHLLOKOSA-N -1 0 365.386 2.119 20 5 FEBDRM COC(=O)c1cc(OC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000833713974 604531855 /nfs/dbraw/zinc/53/18/55/604531855.db2.gz IVWQGTHWGVSWHY-OAHLLOKOSA-N -1 0 361.306 2.192 20 5 FEBDRM Cc1cc([C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)oc1C(=O)[O-] ZINC000832877573 604579745 /nfs/dbraw/zinc/57/97/45/604579745.db2.gz UTSJDWOTJLORQS-SECBINFHSA-N -1 0 351.315 2.430 20 5 FEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824419332 604611872 /nfs/dbraw/zinc/61/18/72/604611872.db2.gz YXRWZIRXSQHOIG-LRDDRELGSA-N -1 0 367.402 2.239 20 5 FEBDRM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000829966766 604735113 /nfs/dbraw/zinc/73/51/13/604735113.db2.gz OBSSCVBCDLRPPS-LLVKDONJSA-N -1 0 352.368 2.371 20 5 FEBDRM O=C([O-])[C@H](O)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000833770938 604762860 /nfs/dbraw/zinc/76/28/60/604762860.db2.gz RPKLJPPZMZEQIE-CYBMUJFWSA-N -1 0 373.203 2.015 20 5 FEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc([N+](=O)[O-])c1 ZINC000597159415 604834639 /nfs/dbraw/zinc/83/46/39/604834639.db2.gz KLQRCRPXJFOZCD-LRDDRELGSA-N -1 0 366.395 2.078 20 5 FEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000584335419 604900212 /nfs/dbraw/zinc/90/02/12/604900212.db2.gz PMXKQVURQSZLAF-VIFPVBQESA-N -1 0 362.429 2.168 20 5 FEBDRM C[C@@H](NC(=O)[O-])[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000825372693 604905643 /nfs/dbraw/zinc/90/56/43/604905643.db2.gz QJKCBIKRZRREDV-PRHODGIISA-N -1 0 374.191 2.219 20 5 FEBDRM C[C@@]1(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCCC[C@H]1C(=O)[O-] 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O=C(/C=C\c1ccc(Cl)nc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000255718817 672896171 /nfs/dbraw/zinc/89/61/71/672896171.db2.gz YBNOMYRPRGOFKG-VURMDHGXSA-N -1 0 367.770 2.162 20 5 FEBDRM CCc1ccc(S(=O)(=O)N2[C@H](CC)CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000593273973 672901213 /nfs/dbraw/zinc/90/12/13/672901213.db2.gz PCEWHNGHFINIFS-DGCLKSJQSA-N -1 0 356.400 2.174 20 5 FEBDRM CC[C@H](C)[C@H](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000261825341 672903761 /nfs/dbraw/zinc/90/37/61/672903761.db2.gz UVGWSYPWYVAXGH-BONVTDFDSA-N -1 0 370.427 2.452 20 5 FEBDRM CCN(CCC(F)(F)F)S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593308813 672906952 /nfs/dbraw/zinc/90/69/52/672906952.db2.gz ATNSLNPQHWBGQT-UHFFFAOYSA-N -1 0 370.305 2.256 20 5 FEBDRM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000593312381 672907444 /nfs/dbraw/zinc/90/74/44/672907444.db2.gz YHNPVGNAORXFRN-TXEJJXNPSA-N -1 0 354.384 2.104 20 5 FEBDRM O=C([O-])[C@@]1(F)CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 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0 356.400 2.235 20 5 FEBDRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC ZINC000821116377 675414715 /nfs/dbraw/zinc/41/47/15/675414715.db2.gz MCCRWPZUVYHFQE-CYBMUJFWSA-N -1 0 360.388 2.077 20 5 FEBDRM CN(CCCOc1ccccc1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603631105 675800516 /nfs/dbraw/zinc/80/05/16/675800516.db2.gz AQMQZHQFSZWBBP-UHFFFAOYSA-N -1 0 366.395 2.390 20 5 FEBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000829303137 675875132 /nfs/dbraw/zinc/87/51/32/675875132.db2.gz RBLMYEYJDAAEPF-UHFFFAOYSA-N -1 0 354.384 2.248 20 5 FEBDRM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466466 676377974 /nfs/dbraw/zinc/37/79/74/676377974.db2.gz NFLRJAGOFCSANX-UHFFFAOYSA-N -1 0 372.380 2.252 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c(O)c1 ZINC000619468375 676378348 /nfs/dbraw/zinc/37/83/48/676378348.db2.gz XQJFGCFZJPIXON-UHFFFAOYSA-N -1 0 354.340 2.118 20 5 FEBDRM CC(C)c1cccc(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1 ZINC000838813719 680720790 /nfs/dbraw/zinc/72/07/90/680720790.db2.gz RMNBNUOOZYDEOT-UHFFFAOYSA-N -1 0 363.395 2.161 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000761389980 680722042 /nfs/dbraw/zinc/72/20/42/680722042.db2.gz HMWIJKAUAHHVSL-SECBINFHSA-N -1 0 362.791 2.042 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cc(C)cc(F)c2)ccc1[N+](=O)[O-] ZINC000761425501 680723049 /nfs/dbraw/zinc/72/30/49/680723049.db2.gz BPOHCZODVVGLMJ-UHFFFAOYSA-N -1 0 368.342 2.170 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(C)CCCC1 ZINC000838933521 680728111 /nfs/dbraw/zinc/72/81/11/680728111.db2.gz JZNTXGLZPFTGHK-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(SC)CCC1 ZINC000838935762 680728164 /nfs/dbraw/zinc/72/81/64/680728164.db2.gz JAFIWCYJUZEXKH-UHFFFAOYSA-N -1 0 373.456 2.117 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1occc1C ZINC000839059061 680734841 /nfs/dbraw/zinc/73/48/41/680734841.db2.gz QTGLZQIANKFSOU-UHFFFAOYSA-N -1 0 367.383 2.437 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H](CCC)OC ZINC000839063350 680735100 /nfs/dbraw/zinc/73/51/00/680735100.db2.gz LHBOQVWHQCNWCX-CYBMUJFWSA-N -1 0 373.431 2.037 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000762735440 680760072 /nfs/dbraw/zinc/76/00/72/680760072.db2.gz XIKDHTRQCHRLDQ-LBPRGKRZSA-N -1 0 354.428 2.410 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1Cl ZINC000839757864 680777151 /nfs/dbraw/zinc/77/71/51/680777151.db2.gz FPYNKICZYTWAPG-VIFPVBQESA-N -1 0 365.777 2.400 20 5 FEBDRM COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000763951182 680796384 /nfs/dbraw/zinc/79/63/84/680796384.db2.gz FTHJLXJHBOVPNJ-NSHDSACASA-N -1 0 364.379 2.212 20 5 FEBDRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000764309860 680806338 /nfs/dbraw/zinc/80/63/38/680806338.db2.gz JPPMVBIEIUTVIP-VAWYXSNFSA-N -1 0 370.427 2.259 20 5 FEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccsc2C(N)=O)cc1[N+](=O)[O-] ZINC000765098417 680831110 /nfs/dbraw/zinc/83/11/10/680831110.db2.gz KCMCITIBTMMLFS-UHFFFAOYSA-N -1 0 359.360 2.004 20 5 FEBDRM CO[C@H](C)CS(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840955014 680856777 /nfs/dbraw/zinc/85/67/77/680856777.db2.gz QGYLOVIQNUNAJJ-HQJQHLMTSA-N -1 0 374.312 2.292 20 5 FEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc1[N+](=O)[O-] ZINC000749013817 680015533 /nfs/dbraw/zinc/01/55/33/680015533.db2.gz WTYHKQSEKLZUEH-UHFFFAOYSA-N -1 0 364.305 2.305 20 5 FEBDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccccc1F ZINC000750765847 680132111 /nfs/dbraw/zinc/13/21/11/680132111.db2.gz YFQFEEVWYHZREF-SNVBAGLBSA-N -1 0 367.358 2.128 20 5 FEBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000751407251 680172392 /nfs/dbraw/zinc/17/23/92/680172392.db2.gz UYJNZTZFVZYLNG-XPTSAGLGSA-N -1 0 372.349 2.273 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](CCO)C1CC1 ZINC000751438833 680175429 /nfs/dbraw/zinc/17/54/29/680175429.db2.gz DLYDRKCTCSMTFO-JTQLQIEISA-N -1 0 369.226 2.341 20 5 FEBDRM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000833680155 680198107 /nfs/dbraw/zinc/19/81/07/680198107.db2.gz MWDVOAPIOWATNY-NXEZZACHSA-N -1 0 353.375 2.332 20 5 FEBDRM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834270991 680207613 /nfs/dbraw/zinc/20/76/13/680207613.db2.gz JIDJXIRSNHEXKH-UWVGGRQHSA-N -1 0 353.375 2.332 20 5 FEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CCSCC2 ZINC000835034293 680288790 /nfs/dbraw/zinc/28/87/90/680288790.db2.gz SNNJJVVWKKEISP-CYBMUJFWSA-N -1 0 370.452 2.074 20 5 FEBDRM C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CC1 ZINC000835181883 680304380 /nfs/dbraw/zinc/30/43/80/680304380.db2.gz GEUOMQLIOZQFGT-QMMMGPOBSA-N -1 0 373.818 2.382 20 5 FEBDRM CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000835227896 680308730 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CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000837294039 680583256 /nfs/dbraw/zinc/58/32/56/680583256.db2.gz XNUJSVHHADFIJU-SECBINFHSA-N -1 0 364.807 2.478 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)ccc1[N+](=O)[O-] ZINC000759164662 680632365 /nfs/dbraw/zinc/63/23/65/680632365.db2.gz ZALVEIZHTGBUKK-UHFFFAOYSA-N -1 0 369.311 2.018 20 5 FEBDRM Cc1nc(C2CC2)oc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000760217175 680680213 /nfs/dbraw/zinc/68/02/13/680680213.db2.gz FZPYMOOWRXLHPD-UHFFFAOYSA-N -1 0 365.367 2.196 20 5 FEBDRM Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000766050059 680864454 /nfs/dbraw/zinc/86/44/54/680864454.db2.gz FXPQEGFMKSCIHC-UHFFFAOYSA-N -1 0 368.268 2.287 20 5 FEBDRM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841777456 680911509 /nfs/dbraw/zinc/91/15/09/680911509.db2.gz BPRGDHZECIRXLW-UHFFFAOYSA-N -1 0 368.770 2.309 20 5 FEBDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 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CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000770776843 681027351 /nfs/dbraw/zinc/02/73/51/681027351.db2.gz URMQKXFMNDFWGL-GFCCVEGCSA-N -1 0 364.420 2.317 20 5 FEBDRM CC1(C2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)OCCO1 ZINC000844211687 681044823 /nfs/dbraw/zinc/04/48/23/681044823.db2.gz VSVFASOJYRCYAD-UHFFFAOYSA-N -1 0 350.371 2.201 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)CCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000771296202 681049790 /nfs/dbraw/zinc/04/97/90/681049790.db2.gz ILAOOEPXXNNEFT-UHFFFAOYSA-N -1 0 370.305 2.141 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N(CC(=O)[O-])CC2CC2)cc1[N+](=O)[O-] ZINC000844695604 681075188 /nfs/dbraw/zinc/07/51/88/681075188.db2.gz WQZOLPHTEQOPBD-UHFFFAOYSA-N -1 0 362.791 2.042 20 5 FEBDRM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000844892017 681090274 /nfs/dbraw/zinc/09/02/74/681090274.db2.gz XDBYUKQACVCOJC-SNVBAGLBSA-N -1 0 356.400 2.350 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c([N+](=O)[O-])n1 ZINC000772687732 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O=C(N[C@@H]1CCN(CC(F)F)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848593634 681586134 /nfs/dbraw/zinc/58/61/34/681586134.db2.gz OWGQGCNHFKYUCU-SECBINFHSA-N -1 0 365.283 2.022 20 5 FEBDRM COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](C(=O)[O-])C(C)C ZINC000848637557 681591961 /nfs/dbraw/zinc/59/19/61/681591961.db2.gz JAQCFIXDUHAVFX-JTQLQIEISA-N -1 0 355.303 2.058 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)ccc1[N+](=O)[O-] ZINC000781114688 681902831 /nfs/dbraw/zinc/90/28/31/681902831.db2.gz UJGNXOFWSWFHFB-UHFFFAOYSA-N -1 0 366.351 2.441 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000781113470 681902928 /nfs/dbraw/zinc/90/29/28/681902928.db2.gz BZWUBNNVRIRASS-UHFFFAOYSA-N -1 0 366.351 2.441 20 5 FEBDRM CC(C)[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000781749050 681969298 /nfs/dbraw/zinc/96/92/98/681969298.db2.gz HLAUSXMAOUCSRP-TZMCWYRMSA-N -1 0 370.427 2.241 20 5 FEBDRM O=C(C[C@@H]1CCC(F)(F)C1)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850885536 681974282 /nfs/dbraw/zinc/97/42/82/681974282.db2.gz HIZUXYOJKUESMA-QMMMGPOBSA-N -1 0 366.317 2.364 20 5 FEBDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1F ZINC000781841474 681979213 /nfs/dbraw/zinc/97/92/13/681979213.db2.gz URMAQKYJBGXMFD-UHFFFAOYSA-N -1 0 374.296 2.439 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc2c(s1)CCCC2 ZINC000851327190 682052068 /nfs/dbraw/zinc/05/20/68/682052068.db2.gz HTGLNLQUZHCRGL-UHFFFAOYSA-N -1 0 367.408 2.049 20 5 FEBDRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000851327720 682052572 /nfs/dbraw/zinc/05/25/72/682052572.db2.gz MFBPPSYOYBMAJF-NSHDSACASA-N -1 0 363.395 2.161 20 5 FEBDRM CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000851328485 682052792 /nfs/dbraw/zinc/05/27/92/682052792.db2.gz JIVXAWXLAXBYRH-UHFFFAOYSA-N -1 0 361.445 2.107 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000851328462 682052962 /nfs/dbraw/zinc/05/29/62/682052962.db2.gz 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Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000786497559 682381029 /nfs/dbraw/zinc/38/10/29/682381029.db2.gz MWXRSXVZHSDGJW-UHFFFAOYSA-N -1 0 352.343 2.469 20 5 FEBDRM CO[C@@H](C)c1nsc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000788210681 682511285 /nfs/dbraw/zinc/51/12/85/682511285.db2.gz BWDORGBACGJMCO-QMMMGPOBSA-N -1 0 358.401 2.096 20 5 FEBDRM CCOC(=O)N[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC000788281978 682516836 /nfs/dbraw/zinc/51/68/36/682516836.db2.gz OPFHBPUODNMRTC-NSHDSACASA-N -1 0 353.375 2.191 20 5 FEBDRM CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000788304049 682519130 /nfs/dbraw/zinc/51/91/30/682519130.db2.gz YJIJFMINGZJELV-JTQLQIEISA-N -1 0 351.359 2.040 20 5 FEBDRM COc1nn(C)cc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000788757248 682555876 /nfs/dbraw/zinc/55/58/76/682555876.db2.gz SJRYOOQULWTFSW-UHFFFAOYSA-N -1 0 360.779 2.100 20 5 FEBDRM COCc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000789482138 682608909 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561350729 /nfs/dbraw/zinc/35/07/29/561350729.db2.gz PUGDNXXSFQHTTI-UHFFFAOYSA-N -1 0 366.330 2.420 20 5 FEBDRM Cc1nn(Cc2ccc(C(=O)N(C)CCC(=O)[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000237235271 548811303 /nfs/dbraw/zinc/81/13/03/548811303.db2.gz YFSKLYQYVIZLQH-UHFFFAOYSA-N -1 0 360.370 2.003 20 5 FEBDRM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)O1 ZINC000245602423 548955607 /nfs/dbraw/zinc/95/56/07/548955607.db2.gz LANDBMKKYZFABW-UMVBOHGHSA-N -1 0 363.414 2.014 20 5 FEBDRM COc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000261598829 549732996 /nfs/dbraw/zinc/73/29/96/549732996.db2.gz AOZLRSQOEYJHRA-CYBMUJFWSA-N -1 0 362.260 2.083 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000261801391 549756914 /nfs/dbraw/zinc/75/69/14/549756914.db2.gz FSWMXEMSAWFWRQ-UHFFFAOYSA-N -1 0 356.400 2.133 20 5 FEBDRM COc1ccccc1C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000262147644 549793117 /nfs/dbraw/zinc/79/31/17/549793117.db2.gz 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/nfs/dbraw/zinc/25/25/36/601252536.db2.gz LVOZSHSYJPMXHG-NEPJUHHUSA-N -1 0 372.381 2.408 20 5 FEBDRM Cn1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1C(=O)[O-] ZINC000833050606 601315163 /nfs/dbraw/zinc/31/51/63/601315163.db2.gz IUOGOCJJCWMBDO-UHFFFAOYSA-N -1 0 355.310 2.070 20 5 FEBDRM C[C@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)NCCc1cccs1 ZINC000827889597 601372984 /nfs/dbraw/zinc/37/29/84/601372984.db2.gz FDIVFGLJQAVWNO-JTQLQIEISA-N -1 0 364.379 2.481 20 5 FEBDRM CC(C)C[C@@H](NC(=O)COC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000826793790 601474065 /nfs/dbraw/zinc/47/40/65/601474065.db2.gz RUWRYHDFYMGCTL-LLVKDONJSA-N -1 0 372.761 2.021 20 5 FEBDRM CCC[C@@](C)(NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(=O)[O-] ZINC000829202854 601506346 /nfs/dbraw/zinc/50/63/46/601506346.db2.gz SPPRNFWXYKPKCX-CYBMUJFWSA-N -1 0 364.807 2.478 20 5 FEBDRM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828424796 601537641 /nfs/dbraw/zinc/53/76/41/601537641.db2.gz SRJSGMUOXZZMRE-KKZNHRDASA-N -1 0 355.778 2.228 20 5 FEBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@](F)(C(=O)[O-])C1 ZINC000826014574 601552807 /nfs/dbraw/zinc/55/28/07/601552807.db2.gz ROOUEINVQACRNP-XLKFXECMSA-N -1 0 359.741 2.074 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000832903310 601596633 /nfs/dbraw/zinc/59/66/33/601596633.db2.gz XZZZBORGYJHYLY-CQSZACIVSA-N -1 0 356.400 2.215 20 5 FEBDRM O=C([O-])C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000610853120 601601209 /nfs/dbraw/zinc/60/12/09/601601209.db2.gz DHWHHRNSNVHWME-UHFFFAOYSA-N -1 0 358.354 2.155 20 5 FEBDRM O=C([O-])[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC000833124839 601743406 /nfs/dbraw/zinc/74/34/06/601743406.db2.gz PXIGXOXIKQNCNI-ZDUSSCGKSA-N -1 0 363.257 2.198 20 5 FEBDRM Nc1c(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc(F)cc1[N+](=O)[O-] ZINC000833090531 601782380 /nfs/dbraw/zinc/78/23/80/601782380.db2.gz NHZOVEROEXGRFI-UHFFFAOYSA-N -1 0 368.346 2.432 20 5 FEBDRM O=C([O-])c1ccc(S(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000833323474 601802533 /nfs/dbraw/zinc/80/25/33/601802533.db2.gz UVFLNOJNCGDRJJ-UHFFFAOYSA-N -1 0 360.731 2.018 20 5 FEBDRM COC(=O)CCC1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000831151932 601821475 /nfs/dbraw/zinc/82/14/75/601821475.db2.gz GPAZHRBINBVODQ-UHFFFAOYSA-N -1 0 364.354 2.098 20 5 FEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738630941 601959148 /nfs/dbraw/zinc/95/91/48/601959148.db2.gz TYTRJMKGBJVQSY-UWVGGRQHSA-N -1 0 370.793 2.165 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](Oc2ccccn2)C1 ZINC000833308427 602011409 /nfs/dbraw/zinc/01/14/09/602011409.db2.gz XCMYLAOFEFIATF-LLVKDONJSA-N -1 0 374.309 2.254 20 5 FEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000738999605 602020119 /nfs/dbraw/zinc/02/01/19/602020119.db2.gz FWGCCFDKGMNABX-NEPJUHHUSA-N -1 0 351.359 2.011 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740051232 602269686 /nfs/dbraw/zinc/26/96/86/602269686.db2.gz XMOIVHJZNWLJSU-DGCLKSJQSA-N -1 0 371.415 2.103 20 5 FEBDRM Cc1cc(N[C@@H]2CCCN(c3cnn(C)c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972694 602319716 /nfs/dbraw/zinc/31/97/16/602319716.db2.gz QJBHNBWSGVGLKF-GFCCVEGCSA-N -1 0 359.386 2.416 20 5 FEBDRM C[C@H](NC(=O)[O-])C1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000739016115 602423632 /nfs/dbraw/zinc/42/36/32/602423632.db2.gz RNDXOAPMMDFNPF-LBPRGKRZSA-N -1 0 374.401 2.179 20 5 FEBDRM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000739098255 602430004 /nfs/dbraw/zinc/43/00/04/602430004.db2.gz VLUBYYSQQGCXHT-SJKOYZFVSA-N -1 0 365.386 2.306 20 5 FEBDRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738938131 602465350 /nfs/dbraw/zinc/46/53/50/602465350.db2.gz HOFFBBXOFQAAIH-SECBINFHSA-N -1 0 364.383 2.446 20 5 FEBDRM CCN(CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000739438281 602489387 /nfs/dbraw/zinc/48/93/87/602489387.db2.gz CTMVOYUZQSHRDX-UHFFFAOYSA-N -1 0 367.330 2.003 20 5 FEBDRM CCCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739345512 602515158 /nfs/dbraw/zinc/51/51/58/602515158.db2.gz MPONFQQYLNOPSG-LLVKDONJSA-N -1 0 361.358 2.076 20 5 FEBDRM CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739349147 602545391 /nfs/dbraw/zinc/54/53/91/602545391.db2.gz IRZQUHYRUZCBJF-OAHLLOKOSA-N -1 0 364.402 2.022 20 5 FEBDRM COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000739904501 602569232 /nfs/dbraw/zinc/56/92/32/602569232.db2.gz VJVAKBHCHDENPV-CQSZACIVSA-N -1 0 373.365 2.099 20 5 FEBDRM O=C([O-])N1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740408924 602589227 /nfs/dbraw/zinc/58/92/27/602589227.db2.gz DLXINOKKQHVQDZ-NSHDSACASA-N -1 0 374.353 2.111 20 5 FEBDRM CCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000739344550 602644540 /nfs/dbraw/zinc/64/45/40/602644540.db2.gz SPURDADDHMJUMK-NSHDSACASA-N -1 0 351.359 2.208 20 5 FEBDRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000739010728 602705066 /nfs/dbraw/zinc/70/50/66/602705066.db2.gz RAQMJQAFHLEOOR-GFCCVEGCSA-N -1 0 364.402 2.215 20 5 FEBDRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000739009069 602708353 /nfs/dbraw/zinc/70/83/53/602708353.db2.gz JOZDAHIXUOCCPN-LLVKDONJSA-N -1 0 350.375 2.173 20 5 FEBDRM O=C([O-])N1CCC[C@H](COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000740717551 602746758 /nfs/dbraw/zinc/74/67/58/602746758.db2.gz NWAHXAZVBRIHEF-LBPRGKRZSA-N -1 0 374.353 2.327 20 5 FEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000740623335 602788582 /nfs/dbraw/zinc/78/85/82/602788582.db2.gz FGGYBEXGQNGMPV-GWCFXTLKSA-N -1 0 369.349 2.055 20 5 FEBDRM CCN(CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000739398762 602816479 /nfs/dbraw/zinc/81/64/79/602816479.db2.gz IOTWVCAXNAWPSV-QMMMGPOBSA-N -1 0 373.749 2.118 20 5 FEBDRM O=C([O-])N1CCC[C@@H]1COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000740722648 602923005 /nfs/dbraw/zinc/92/30/05/602923005.db2.gz QWHOFKZJIGKEHL-CQSZACIVSA-N -1 0 360.326 2.080 20 5 FEBDRM C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1C(=O)[O-] ZINC000739133802 603007973 /nfs/dbraw/zinc/00/79/73/603007973.db2.gz IVAYSJUAJROQEZ-NXEZZACHSA-N -1 0 355.778 2.390 20 5 FEBDRM Nc1c(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc(F)cc1[N+](=O)[O-] ZINC000740343208 603027595 /nfs/dbraw/zinc/02/75/95/603027595.db2.gz QRAPOBJFFXSSQQ-GFCCVEGCSA-N -1 0 362.317 2.055 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739934282 603028775 /nfs/dbraw/zinc/02/87/75/603028775.db2.gz VKCHZDKLHGKWFJ-CQSZACIVSA-N -1 0 359.338 2.342 20 5 FEBDRM O=C([O-])N[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000740534419 603036270 /nfs/dbraw/zinc/03/62/70/603036270.db2.gz FIVWRGOFHZWKFI-AWEZNQCLSA-N -1 0 374.309 2.242 20 5 FEBDRM O=C([O-])NC1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000740554421 603071634 /nfs/dbraw/zinc/07/16/34/603071634.db2.gz KHRPFWDHQQJOFT-UHFFFAOYSA-N -1 0 353.400 2.382 20 5 FEBDRM O=C([O-])N1CC[C@@H](COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000740720556 603169770 /nfs/dbraw/zinc/16/97/70/603169770.db2.gz JOFUPFHZWFCLKC-GFCCVEGCSA-N -1 0 363.370 2.352 20 5 FEBDRM CN(CCCNC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000739674918 603185197 /nfs/dbraw/zinc/18/51/97/603185197.db2.gz NEGQELXUNKKYDW-UHFFFAOYSA-N -1 0 364.402 2.315 20 5 FEBDRM COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc([N+](=O)[O-])c1 ZINC000739779501 603271338 /nfs/dbraw/zinc/27/13/38/603271338.db2.gz AVSWTUQMCHWDLP-MWLCHTKSSA-N -1 0 365.342 2.146 20 5 FEBDRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 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CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000764651625 680817966 /nfs/dbraw/zinc/81/79/66/680817966.db2.gz ZUHJYEAXXPDYML-UHFFFAOYSA-N -1 0 367.408 2.221 20 5 FEBDRM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000765611398 680848110 /nfs/dbraw/zinc/84/81/10/680848110.db2.gz QJUVSEQXFOTNFA-JTQLQIEISA-N -1 0 368.333 2.172 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCC(C)(C)C[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000766009015 680863101 /nfs/dbraw/zinc/86/31/01/680863101.db2.gz BJOZEGSXSHGXHN-GFCCVEGCSA-N -1 0 374.390 2.306 20 5 FEBDRM COCC1(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1 ZINC000831787664 680043427 /nfs/dbraw/zinc/04/34/27/680043427.db2.gz YKGFVACCDQWQRN-UHFFFAOYSA-N -1 0 366.761 2.048 20 5 FEBDRM O=C(CCc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000750762859 680131784 /nfs/dbraw/zinc/13/17/84/680131784.db2.gz KUKVPBZGJKNJAP-UHFFFAOYSA-N -1 0 369.786 2.081 20 5 FEBDRM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 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369.374 2.014 20 5 FEBDRM CCC1(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000835532911 680344687 /nfs/dbraw/zinc/34/46/87/680344687.db2.gz AAKRMERLASUCLS-UHFFFAOYSA-N -1 0 364.326 2.198 20 5 FEBDRM CCC1(S(=O)(=O)[N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000835533267 680344875 /nfs/dbraw/zinc/34/48/75/680344875.db2.gz HXVLYNQRGNIERT-UHFFFAOYSA-N -1 0 364.326 2.198 20 5 FEBDRM COc1cc(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000835560782 680349900 /nfs/dbraw/zinc/34/99/00/680349900.db2.gz QNKQCCXRFBKUPO-NWHVRFAMSA-N -1 0 368.411 2.242 20 5 FEBDRM O=C(CCNc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000835747592 680377581 /nfs/dbraw/zinc/37/75/81/680377581.db2.gz NRVHKZFZAWBPSU-XUJVJEKNSA-N -1 0 367.427 2.031 20 5 FEBDRM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000755647923 680426612 /nfs/dbraw/zinc/42/66/12/680426612.db2.gz RYFAYNWUOCMVRH-HBIYDYFMSA-N -1 0 368.411 2.013 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000755857958 680440413 /nfs/dbraw/zinc/44/04/13/680440413.db2.gz ZQIIAYOLIKOWHN-UHFFFAOYSA-N -1 0 372.305 2.000 20 5 FEBDRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000756088663 680459739 /nfs/dbraw/zinc/45/97/39/680459739.db2.gz RJAFEFZBKPSHCO-UHFFFAOYSA-N -1 0 365.411 2.251 20 5 FEBDRM CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000756276397 680470106 /nfs/dbraw/zinc/47/01/06/680470106.db2.gz XCRPFEJMJBDWFP-SNVBAGLBSA-N -1 0 364.445 2.303 20 5 FEBDRM O=C([O-])[C@]1(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000756774632 680497122 /nfs/dbraw/zinc/49/71/22/680497122.db2.gz JHAIOWNKWQSIBD-AWEZNQCLSA-N -1 0 358.803 2.462 20 5 FEBDRM CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)O1 ZINC000757294239 680521124 /nfs/dbraw/zinc/52/11/24/680521124.db2.gz QIBLOQLRKFTXQE-PELKAZGASA-N -1 0 362.791 2.011 20 5 FEBDRM CS[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 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680998527 /nfs/dbraw/zinc/99/85/27/680998527.db2.gz JNRMNRNHYRCRDN-WCBMZHEXSA-N -1 0 358.753 2.499 20 5 FEBDRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770770888 681027058 /nfs/dbraw/zinc/02/70/58/681027058.db2.gz CJAXXGKLUIUTBC-UHFFFAOYSA-N -1 0 354.359 2.285 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000844208175 681044714 /nfs/dbraw/zinc/04/47/14/681044714.db2.gz JWCQYHVMKZYRLC-CQSZACIVSA-N -1 0 350.371 2.457 20 5 FEBDRM CC1CCC2(CC1)OC[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])O2 ZINC000844210507 681044978 /nfs/dbraw/zinc/04/49/78/681044978.db2.gz AOTQQNQFCYEFKY-NOEPWBJOSA-N -1 0 351.359 2.422 20 5 FEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000844219092 681045295 /nfs/dbraw/zinc/04/52/95/681045295.db2.gz QIBOKHNVMAJMMU-LLVKDONJSA-N -1 0 370.427 2.326 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1[N+](=O)[O-] ZINC000774169637 681171229 /nfs/dbraw/zinc/17/12/29/681171229.db2.gz 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CC(C)(CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000776624749 681419032 /nfs/dbraw/zinc/41/90/32/681419032.db2.gz WNMDHQVRQMLDQU-UHFFFAOYSA-N -1 0 364.807 2.418 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N(C)CC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000776716813 681429497 /nfs/dbraw/zinc/42/94/97/681429497.db2.gz SKLBPYBITYAZTG-UHFFFAOYSA-N -1 0 364.807 2.288 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cc2c(s1)CCCC2 ZINC000847891689 681447287 /nfs/dbraw/zinc/44/72/87/681447287.db2.gz DIAVLUHXBMHKQT-UHFFFAOYSA-N -1 0 367.408 2.049 20 5 FEBDRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000847892550 681447820 /nfs/dbraw/zinc/44/78/20/681447820.db2.gz DYKJFOSOOBBQAZ-HAQNSBGRSA-N -1 0 355.416 2.257 20 5 FEBDRM CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000847893574 681447859 /nfs/dbraw/zinc/44/78/59/681447859.db2.gz WEXAAUKUSOLERP-NSHDSACASA-N -1 0 355.416 2.401 20 5 FEBDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1[N+](=O)[O-] 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CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112851322 543465329 /nfs/dbraw/zinc/46/53/29/543465329.db2.gz YQSKTYYTKOQVKN-UHFFFAOYSA-N -1 0 353.331 2.358 20 5 FEBDRM Cc1sc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000119046356 543663328 /nfs/dbraw/zinc/66/33/28/543663328.db2.gz KFLYMUPEJDHTAR-NSHDSACASA-N -1 0 372.428 2.141 20 5 FEBDRM COc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119539188 222515767 /nfs/dbraw/zinc/51/57/67/222515767.db2.gz QPYBINCEWZPDBE-UHFFFAOYSA-N -1 0 357.775 2.130 20 5 FEBDRM O=C([N-]S(=O)(=O)c1csc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000803031024 674218914 /nfs/dbraw/zinc/21/89/14/674218914.db2.gz INXYXRPHWLKCNI-UHFFFAOYSA-N -1 0 351.365 2.256 20 5 FEBDRM O=C(OCCCCCO)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000803525581 674248031 /nfs/dbraw/zinc/24/80/31/674248031.db2.gz RVDHPCJWXABXGQ-UHFFFAOYSA-N -1 0 369.761 2.459 20 5 FEBDRM O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179393275 327640818 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SLDWHVLIJUHAFI-UHFFFAOYSA-N -1 0 363.395 2.420 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000193027506 328352801 /nfs/dbraw/zinc/35/28/01/328352801.db2.gz NPJHEMHURXNUKJ-UHFFFAOYSA-N -1 0 373.394 2.344 20 5 FEBDRM COc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])cc1OC ZINC000013166324 324374405 /nfs/dbraw/zinc/37/44/05/324374405.db2.gz MBNFUQGDWGVXJU-UHFFFAOYSA-N -1 0 360.322 2.240 20 5 FEBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236760188 328493566 /nfs/dbraw/zinc/49/35/66/328493566.db2.gz GIGQJFWXMWGNBU-UHFFFAOYSA-N -1 0 360.370 2.353 20 5 FEBDRM O=C(CC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1)N1CCCC1 ZINC000077222179 324982502 /nfs/dbraw/zinc/98/25/02/324982502.db2.gz BJBGEUITDAUSDK-UHFFFAOYSA-N -1 0 361.398 2.165 20 5 FEBDRM O=C([O-])[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000238035537 328538795 /nfs/dbraw/zinc/53/87/95/328538795.db2.gz QSIBOEAYNWGZPI-MRXNPFEDSA-N -1 0 366.333 2.336 20 5 FEBDRM 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Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1C ZINC000327130603 553786159 /nfs/dbraw/zinc/78/61/59/553786159.db2.gz SWDNMUCXGJLXLX-YMTOWFKASA-N -1 0 356.400 2.085 20 5 FEBDRM Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000327639672 553790155 /nfs/dbraw/zinc/79/01/55/553790155.db2.gz RTOQSHLULXYNCC-CORIIIEPSA-N -1 0 368.411 2.085 20 5 FEBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000327698553 553790877 /nfs/dbraw/zinc/79/08/77/553790877.db2.gz WAPWIUUHCSVKAC-UHFFFAOYSA-N -1 0 366.351 2.196 20 5 FEBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000328277077 553793708 /nfs/dbraw/zinc/79/37/08/553793708.db2.gz GNVQIGBUNHFZJK-UHFFFAOYSA-N -1 0 372.305 2.460 20 5 FEBDRM O=C(N[C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000506401651 561697887 /nfs/dbraw/zinc/69/78/87/561697887.db2.gz ZSENBHGXDOKEGO-CYBMUJFWSA-N -1 0 353.338 2.132 20 5 FEBDRM COC(=O)[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000330495931 554129265 /nfs/dbraw/zinc/12/92/65/554129265.db2.gz VZDLXPURMRDAMD-MEBBXXQBSA-N -1 0 374.390 2.134 20 5 FEBDRM CC(C)(C)OC(=O)C1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330615317 554146597 /nfs/dbraw/zinc/14/65/97/554146597.db2.gz UKUYNYXFSWNKMN-UHFFFAOYSA-N -1 0 350.371 2.494 20 5 FEBDRM COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1OC ZINC000508219372 561755727 /nfs/dbraw/zinc/75/57/27/561755727.db2.gz LFNBFWDVKPSIRD-UHFFFAOYSA-N -1 0 368.367 2.427 20 5 FEBDRM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331514602 554277815 /nfs/dbraw/zinc/27/78/15/554277815.db2.gz DEIJJISEAGWABP-AWEZNQCLSA-N -1 0 361.398 2.211 20 5 FEBDRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s[n-]1 ZINC000511076380 561856046 /nfs/dbraw/zinc/85/60/46/561856046.db2.gz MJJDQKUVRJEONV-LURJTMIESA-N -1 0 374.325 2.429 20 5 FEBDRM CO[C@@H](C)c1nc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)s[n-]1 ZINC000511106884 561857267 /nfs/dbraw/zinc/85/72/67/561857267.db2.gz PPXBELFRWLOXBM-ZETCQYMHSA-N -1 0 356.791 2.410 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2cnn(C)c2)n1 ZINC000363311176 555075912 /nfs/dbraw/zinc/07/59/12/555075912.db2.gz RSLKVCMOGUMHRZ-UHFFFAOYSA-N -1 0 373.394 2.500 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000364901565 555431537 /nfs/dbraw/zinc/43/15/37/555431537.db2.gz MGNVVNLYIRRBDL-UHFFFAOYSA-N -1 0 373.394 2.500 20 5 FEBDRM COC(=O)c1ccc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[n-]n1 ZINC000619602358 555806932 /nfs/dbraw/zinc/80/69/32/555806932.db2.gz IEYZQNVWPPBQAW-UHFFFAOYSA-N -1 0 362.317 2.227 20 5 FEBDRM COC(=O)c1ccc(=NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000619603501 555807392 /nfs/dbraw/zinc/80/73/92/555807392.db2.gz VCFZQNFLGJHQMC-SECBINFHSA-N -1 0 362.367 2.291 20 5 FEBDRM O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000366935880 555975773 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IOEOQLUPQHIDGI-LSDHHAIUSA-N -1 0 361.398 2.306 20 5 FEBDRM CC(C)C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC000516766735 562057101 /nfs/dbraw/zinc/05/71/01/562057101.db2.gz UZJYIOUUMNWGAU-LLVKDONJSA-N -1 0 356.400 2.350 20 5 FEBDRM Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccn2)n1 ZINC000371211520 557108096 /nfs/dbraw/zinc/10/80/96/557108096.db2.gz ANVRDAISNKXJCE-UHFFFAOYSA-N -1 0 359.367 2.191 20 5 FEBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517308102 562084631 /nfs/dbraw/zinc/08/46/31/562084631.db2.gz XCZKCEUBEPEMEM-AWEZNQCLSA-N -1 0 353.375 2.114 20 5 FEBDRM Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000517727188 562096443 /nfs/dbraw/zinc/09/64/43/562096443.db2.gz SJLKQFHFWROIET-SLEUVZQESA-N -1 0 368.411 2.085 20 5 FEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(n2nnc3c2CCCC3)CC1 ZINC000371614631 557240214 /nfs/dbraw/zinc/24/02/14/557240214.db2.gz CZBRAIGVAWSTSB-UHFFFAOYSA-N -1 0 371.397 2.248 20 5 FEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000520588712 562159719 /nfs/dbraw/zinc/15/97/19/562159719.db2.gz XDOVKMMLJVRJSY-UHFFFAOYSA-N -1 0 357.366 2.321 20 5 FEBDRM O=C1CCOc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(F)c3)cc21 ZINC000373909027 557784697 /nfs/dbraw/zinc/78/46/97/557784697.db2.gz VPRQWXSPFGVHGD-UHFFFAOYSA-N -1 0 366.326 2.500 20 5 FEBDRM CC[C@@]1(C)CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000520804936 562164182 /nfs/dbraw/zinc/16/41/82/562164182.db2.gz DJXWXSUPPZIYDC-HNNXBMFYSA-N -1 0 356.400 2.494 20 5 FEBDRM COc1ccc(C2=NO[C@H](CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)cc1 ZINC000374884516 557945923 /nfs/dbraw/zinc/94/59/23/557945923.db2.gz ZSBCPBZBSRRUTP-AWEZNQCLSA-N -1 0 371.349 2.232 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2N2CCCC2)s1 ZINC000375070388 557973316 /nfs/dbraw/zinc/97/33/16/557973316.db2.gz HCOCXNZNPKQBBO-UHFFFAOYSA-N -1 0 354.413 2.452 20 5 FEBDRM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2O 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COCC1(C(=O)[O-])CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000422555775 559594838 /nfs/dbraw/zinc/59/48/38/559594838.db2.gz BCLKXMRCJLHCTE-UHFFFAOYSA-N -1 0 350.371 2.165 20 5 FEBDRM COC(=O)C1(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000427115116 559748308 /nfs/dbraw/zinc/74/83/08/559748308.db2.gz QNEFKIQAOWZEJD-UHFFFAOYSA-N -1 0 356.400 2.460 20 5 FEBDRM CCOC(=O)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000428033957 559767926 /nfs/dbraw/zinc/76/79/26/559767926.db2.gz BJASESHNJUCNQE-HNNXBMFYSA-N -1 0 372.377 2.452 20 5 FEBDRM C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C(=O)[O-] ZINC000431517397 559840691 /nfs/dbraw/zinc/84/06/91/559840691.db2.gz GCBXRXCDRCCXFT-MRVPVSSYSA-N -1 0 360.316 2.410 20 5 FEBDRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1O ZINC000432182254 559853546 /nfs/dbraw/zinc/85/35/46/559853546.db2.gz LNJBDGJMTYDDTE-UHFFFAOYSA-N -1 0 366.351 2.416 20 5 FEBDRM C[C@H](NC(=O)N=c1ccc(-c2cnn(C)c2)n[n-]1)c1cccc([N+](=O)[O-])c1 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C[C@@]1(C(=O)[O-])CCCC[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000547891707 673898736 /nfs/dbraw/zinc/89/87/36/673898736.db2.gz WMFLCHFRVLNUKW-GDBMZVCRSA-N -1 0 370.427 2.090 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000547894720 673899312 /nfs/dbraw/zinc/89/93/12/673899312.db2.gz HBSSIQWQFIUMFA-SWLSCSKDSA-N -1 0 356.400 2.133 20 5 FEBDRM C[C@H](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000547917130 673904455 /nfs/dbraw/zinc/90/44/55/673904455.db2.gz TYWIRWLRFPLLOA-TZMCWYRMSA-N -1 0 370.427 2.247 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccsc1 ZINC000548196622 673932694 /nfs/dbraw/zinc/93/26/94/673932694.db2.gz DAPHPXPMSXZTAG-NSHDSACASA-N -1 0 370.408 2.459 20 5 FEBDRM O=C([O-])[C@@H](CC1CCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000548220715 673937123 /nfs/dbraw/zinc/93/71/23/673937123.db2.gz IOWZNNBRPGRFHK-CYBMUJFWSA-N -1 0 356.400 2.048 20 5 FEBDRM Cc1sc(S(=O)(=O)N(CCC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000548234650 673939478 /nfs/dbraw/zinc/93/94/78/673939478.db2.gz LMSWCEOBCHNFCP-UHFFFAOYSA-N -1 0 350.418 2.086 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC1CCCC1)C(=O)[O-] ZINC000548540664 673968173 /nfs/dbraw/zinc/96/81/73/673968173.db2.gz UKNZTHZBOANAQR-GFCCVEGCSA-N -1 0 356.400 2.215 20 5 FEBDRM O=C([O-])[C@H]1CCCCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000548558831 673971917 /nfs/dbraw/zinc/97/19/17/673971917.db2.gz BRKATTOJDVXLAS-KBPBESRZSA-N -1 0 356.400 2.297 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)c1C ZINC000548574062 673974973 /nfs/dbraw/zinc/97/49/73/673974973.db2.gz KZMWUGHOPSUVOE-MLGOLLRUSA-N -1 0 368.411 2.087 20 5 FEBDRM Cc1sc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000548588055 673976530 /nfs/dbraw/zinc/97/65/30/673976530.db2.gz GTKBNXNONILEHL-SECBINFHSA-N -1 0 350.418 2.132 20 5 FEBDRM O=C([O-])C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000548595915 673978543 /nfs/dbraw/zinc/97/85/43/673978543.db2.gz CAVLPZJINVOGLK-CYBMUJFWSA-N -1 0 364.379 2.132 20 5 FEBDRM C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000548862616 674002107 /nfs/dbraw/zinc/00/21/07/674002107.db2.gz IDJMXNIIXRIUHM-KRTXAFLBSA-N -1 0 362.791 2.026 20 5 FEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cncc(-n2ccnn2)c1 ZINC000549038467 674013279 /nfs/dbraw/zinc/01/32/79/674013279.db2.gz XWROVHSVNCCUMG-UHFFFAOYSA-N -1 0 360.717 2.182 20 5 FEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(N2CCCC2=O)CC1 ZINC000566272998 675199937 /nfs/dbraw/zinc/19/99/37/675199937.db2.gz RCOHFIDLKUEQRD-UHFFFAOYSA-N -1 0 367.789 2.181 20 5 FEBDRM CCc1ccc(S(=O)(=O)N(C)[C@H](C(=O)[O-])[C@H](C)CC)cc1[N+](=O)[O-] ZINC000566312504 675203491 /nfs/dbraw/zinc/20/34/91/675203491.db2.gz VCUPQSZLBBBJMM-YGRLFVJLSA-N -1 0 358.416 2.277 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000566368440 675208540 /nfs/dbraw/zinc/20/85/40/675208540.db2.gz VSYOZNVDPWWNGE-UHFFFAOYSA-N -1 0 350.278 2.446 20 5 FEBDRM NC(=O)CC[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000566741104 675239203 /nfs/dbraw/zinc/23/92/03/675239203.db2.gz VJHHKQRQVAJNAF-SECBINFHSA-N -1 0 355.778 2.072 20 5 FEBDRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000819968384 675327912 /nfs/dbraw/zinc/32/79/12/675327912.db2.gz QTLTZZGIXRCJSG-GXSJLCMTSA-N -1 0 371.371 2.134 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819970487 675328239 /nfs/dbraw/zinc/32/82/39/675328239.db2.gz LRMYJDINCGQAEM-VIFPVBQESA-N -1 0 352.734 2.357 20 5 FEBDRM COCCO[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000567959493 675339111 /nfs/dbraw/zinc/33/91/11/675339111.db2.gz BNZDQPITRVKOJH-NSHDSACASA-N -1 0 358.778 2.221 20 5 FEBDRM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000567959917 675339375 /nfs/dbraw/zinc/33/93/75/675339375.db2.gz NMLJKMFLHCFWMO-QKCSRTOESA-N -1 0 370.789 2.362 20 5 FEBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000567960095 675339549 /nfs/dbraw/zinc/33/95/49/675339549.db2.gz TZJDNONSZOABHA-INIZCTEOSA-N -1 0 370.789 2.364 20 5 FEBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000823861055 675574898 /nfs/dbraw/zinc/57/48/98/675574898.db2.gz TYYXRLCMMZZEDI-NSHDSACASA-N -1 0 351.315 2.363 20 5 FEBDRM O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000603555921 675799938 /nfs/dbraw/zinc/79/99/38/675799938.db2.gz SJYCZATXRJNZHC-LBPRGKRZSA-N -1 0 370.408 2.292 20 5 FEBDRM Cn1nc2c(c1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CCC2 ZINC000829736095 675888805 /nfs/dbraw/zinc/88/88/05/675888805.db2.gz CFHUZHJNGSVJSK-UHFFFAOYSA-N -1 0 374.781 2.410 20 5 FEBDRM CC(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccnn1C ZINC000615944243 676234548 /nfs/dbraw/zinc/23/45/48/676234548.db2.gz SBAKLBUEMBZZFK-NSHDSACASA-N -1 0 370.406 2.186 20 5 FEBDRM Cc1cc(C)c(S(=O)(=O)N2CCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000617182522 676273053 /nfs/dbraw/zinc/27/30/53/676273053.db2.gz JHNQLSRKTRAPHY-LBPRGKRZSA-N -1 0 356.400 2.230 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000619467864 676378220 /nfs/dbraw/zinc/37/82/20/676378220.db2.gz JWXKLKJZKPMFIG-UHFFFAOYSA-N -1 0 362.314 2.075 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(SC(C)C)n[nH]1 ZINC000619506868 676382470 /nfs/dbraw/zinc/38/24/70/676382470.db2.gz AIPVGFOYSHTIRB-UHFFFAOYSA-N -1 0 373.416 2.023 20 5 FEBDRM CCc1oc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000761195438 680714536 /nfs/dbraw/zinc/71/45/36/680714536.db2.gz LYIMJSBQYYTGJE-UHFFFAOYSA-N -1 0 352.368 2.486 20 5 FEBDRM CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000838818446 680720966 /nfs/dbraw/zinc/72/09/66/680720966.db2.gz WTWKUGWJEPNVPK-SSDOTTSWSA-N -1 0 354.306 2.220 20 5 FEBDRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCCC1 ZINC000761430449 680723266 /nfs/dbraw/zinc/72/32/66/680723266.db2.gz YFBPOECPKVSZGN-UHFFFAOYSA-N -1 0 356.400 2.379 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CC(C)(C)C1 ZINC000838936897 680728342 /nfs/dbraw/zinc/72/83/42/680728342.db2.gz ULYKHUZVQYKWLS-UHFFFAOYSA-N -1 0 355.416 2.268 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@](C)(CC)OC ZINC000839062443 680734973 /nfs/dbraw/zinc/73/49/73/680734973.db2.gz QRVGLAUQUYHLLR-HNNXBMFYSA-N -1 0 373.431 2.037 20 5 FEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C ZINC000839076140 680736205 /nfs/dbraw/zinc/73/62/05/680736205.db2.gz AXVZYYDPRGUYHL-PWSUYJOCSA-N -1 0 355.416 2.268 20 5 FEBDRM O=C(CC1CCSCC1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000762064005 680739675 /nfs/dbraw/zinc/73/96/75/680739675.db2.gz LUCBBKJSYZQZRN-UHFFFAOYSA-N -1 0 358.441 2.074 20 5 FEBDRM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000763301808 680779179 /nfs/dbraw/zinc/77/91/79/680779179.db2.gz XTCJBETTWHRIQR-UHFFFAOYSA-N -1 0 368.342 2.250 20 5 FEBDRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000747616190 679892624 /nfs/dbraw/zinc/89/26/24/679892624.db2.gz BMUMLDVTNIUVSE-UHFFFAOYSA-N -1 0 368.327 2.016 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-][C@H]2CCn3ccnc32)c1 ZINC000831738071 680035622 /nfs/dbraw/zinc/03/56/22/680035622.db2.gz JPMRWUVHSGBILS-VIFPVBQESA-N -1 0 360.754 2.007 20 5 FEBDRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832333519 680124068 /nfs/dbraw/zinc/12/40/68/680124068.db2.gz SESPKGYVARYKQQ-NEPJUHHUSA-N -1 0 350.327 2.147 20 5 FEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc2ccccc21 ZINC000750757441 680131534 /nfs/dbraw/zinc/13/15/34/680131534.db2.gz MQXFZKIGNCIUBE-UHFFFAOYSA-N -1 0 357.347 2.262 20 5 FEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000751597550 680189219 /nfs/dbraw/zinc/18/92/19/680189219.db2.gz XWHJLKLNTPKKKQ-UHFFFAOYSA-N -1 0 354.241 2.277 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CSC2CC2)cc1[N+](=O)[O-] ZINC000835036699 680289096 /nfs/dbraw/zinc/28/90/96/680289096.db2.gz RCNCPZWHKKTUMU-UHFFFAOYSA-N -1 0 364.832 2.257 20 5 FEBDRM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000835227931 680308651 /nfs/dbraw/zinc/30/86/51/680308651.db2.gz SMTYQYPSTLJUHB-MLGOLLRUSA-N -1 0 354.428 2.410 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCSCC2 ZINC000835342468 680321579 /nfs/dbraw/zinc/32/15/79/680321579.db2.gz AFMQJXNXXKMXHX-LLVKDONJSA-N -1 0 370.452 2.241 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)CCc1cccc(Cl)c1)[N+](=O)[O-] ZINC000835418736 680330700 /nfs/dbraw/zinc/33/07/00/680330700.db2.gz YDAXFHCYPWOUEP-UHFFFAOYSA-N -1 0 362.835 2.164 20 5 FEBDRM C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755581908 680422793 /nfs/dbraw/zinc/42/27/93/680422793.db2.gz IRUYNTJGROUARI-SNVBAGLBSA-N -1 0 353.375 2.191 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000755787213 680435990 /nfs/dbraw/zinc/43/59/90/680435990.db2.gz UHJVMPWDHMOFGH-NSHDSACASA-N -1 0 364.379 2.424 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]n1c(C)nc2sccc2c1=O ZINC000756626216 680489454 /nfs/dbraw/zinc/48/94/54/680489454.db2.gz NMJDRJGKGCZHRQ-UHFFFAOYSA-N -1 0 360.351 2.067 20 5 FEBDRM CS[C@H](C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000757430389 680523965 /nfs/dbraw/zinc/52/39/65/680523965.db2.gz MALNBGBUENDMPS-SSDOTTSWSA-N -1 0 352.821 2.195 20 5 FEBDRM C[C@@H](CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-])NC(=O)C1CCCC1 ZINC000837499114 680611617 /nfs/dbraw/zinc/61/16/17/680611617.db2.gz ZUSFPYCTILGAGI-NSHDSACASA-N -1 0 350.371 2.429 20 5 FEBDRM Nc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000758941795 680616921 /nfs/dbraw/zinc/61/69/21/680616921.db2.gz XYFDEJYZEMBKFI-UHFFFAOYSA-N -1 0 362.161 2.333 20 5 FEBDRM Cn1ncc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1C(F)F ZINC000759104712 680627092 /nfs/dbraw/zinc/62/70/92/680627092.db2.gz VTSJUZZNRUIWPZ-UHFFFAOYSA-N 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ZINC000133813678 544284166 /nfs/dbraw/zinc/28/41/66/544284166.db2.gz NGFXEULRFWPFBN-UHFFFAOYSA-N -1 0 358.329 2.299 20 5 FEBDRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000142050552 544415554 /nfs/dbraw/zinc/41/55/54/544415554.db2.gz XIHSQFVQDXMLDC-UHFFFAOYSA-N -1 0 366.351 2.191 20 5 FEBDRM Cn1c(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])nc2ccc(F)cc21 ZINC000151008064 544495445 /nfs/dbraw/zinc/49/54/45/544495445.db2.gz XTAZWYXZLRVTRL-UHFFFAOYSA-N -1 0 358.329 2.299 20 5 FEBDRM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000153046824 544726995 /nfs/dbraw/zinc/72/69/95/544726995.db2.gz UAQCBNKAJQQFST-UHFFFAOYSA-N -1 0 352.354 2.024 20 5 FEBDRM O=C(NCCNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000552561883 674215045 /nfs/dbraw/zinc/21/50/45/674215045.db2.gz GXKIHXWZIZGGGS-UHFFFAOYSA-N -1 0 363.757 2.114 20 5 FEBDRM O=C(c1ccccc1)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179415413 327641789 /nfs/dbraw/zinc/64/17/89/327641789.db2.gz RMXGTQWFKBIWOQ-UHFFFAOYSA-N -1 0 369.377 2.289 20 5 FEBDRM CN(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185041151 327896355 /nfs/dbraw/zinc/89/63/55/327896355.db2.gz JVYWWYDDSDEORE-UHFFFAOYSA-N -1 0 367.358 2.237 20 5 FEBDRM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185742487 327930756 /nfs/dbraw/zinc/93/07/56/327930756.db2.gz BBZLYMSKTISSHK-CQSZACIVSA-N -1 0 369.377 2.079 20 5 FEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1COCCN1CC1CCC1 ZINC000185909074 327938482 /nfs/dbraw/zinc/93/84/82/327938482.db2.gz SWQLBXFVKQERGJ-CQSZACIVSA-N -1 0 369.805 2.393 20 5 FEBDRM COC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000190041415 328184188 /nfs/dbraw/zinc/18/41/88/328184188.db2.gz DDIBIGKLNABLSS-LBPRGKRZSA-N -1 0 354.384 2.471 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cn(Cc2ccccc2)nn1 ZINC000190346462 328201831 /nfs/dbraw/zinc/20/18/31/328201831.db2.gz JEAKVHIRLGPWLE-UHFFFAOYSA-N -1 0 373.394 2.344 20 5 FEBDRM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000192715249 328335130 /nfs/dbraw/zinc/33/51/30/328335130.db2.gz SAUWCVHNVZTCBP-UHFFFAOYSA-N -1 0 359.367 2.191 20 5 FEBDRM O=C(Nc1nc(Cc2ccccc2)ns1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193561893 328381885 /nfs/dbraw/zinc/38/18/85/328381885.db2.gz PZCNGOZYLXCQMO-UHFFFAOYSA-N -1 0 357.351 2.390 20 5 FEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000194162041 328413661 /nfs/dbraw/zinc/41/36/61/328413661.db2.gz SDJOWESFFRQBJF-LBPRGKRZSA-N -1 0 359.304 2.187 20 5 FEBDRM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000047521938 324637101 /nfs/dbraw/zinc/63/71/01/324637101.db2.gz QUNBMPUSLTYITA-UHFFFAOYSA-N -1 0 355.759 2.148 20 5 FEBDRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237028339 328502015 /nfs/dbraw/zinc/50/20/15/328502015.db2.gz MLLWOPSZPUWASL-UHFFFAOYSA-N -1 0 357.366 2.388 20 5 FEBDRM C[C@H](CC(=O)[O-])NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237610853 328522136 /nfs/dbraw/zinc/52/21/36/328522136.db2.gz SYKPKPQQFZOFOV-MRVPVSSYSA-N -1 0 363.292 2.395 20 5 FEBDRM Cc1cccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)n1 ZINC000116982374 326045791 /nfs/dbraw/zinc/04/57/91/326045791.db2.gz XVEGLIPETJEACN-UHFFFAOYSA-N -1 0 356.382 2.403 20 5 FEBDRM Cc1cc(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)c(C)o1 ZINC000122986480 326416284 /nfs/dbraw/zinc/41/62/84/326416284.db2.gz LDBVNKRLPMNZDM-UHFFFAOYSA-N -1 0 373.365 2.108 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000124754019 326459469 /nfs/dbraw/zinc/45/94/69/326459469.db2.gz LUWKRLBYMOJJGE-UHFFFAOYSA-N -1 0 354.388 2.356 20 5 FEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(CCc2ccccc2)CC1 ZINC000130344354 326555280 /nfs/dbraw/zinc/55/52/80/326555280.db2.gz IFQGITDRKRJNKV-UHFFFAOYSA-N -1 0 355.394 2.301 20 5 FEBDRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C(N)=O ZINC000131277040 326571776 /nfs/dbraw/zinc/57/17/76/326571776.db2.gz UYRJZNRMCVHTSS-UHFFFAOYSA-N -1 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544342523 /nfs/dbraw/zinc/34/25/23/544342523.db2.gz TVRQTWMMJIANDP-UHFFFAOYSA-N -1 0 354.322 2.150 20 5 FEBDRM CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151280026 544524754 /nfs/dbraw/zinc/52/47/54/544524754.db2.gz SFOPXOVYRDYXOC-UHFFFAOYSA-N -1 0 355.310 2.018 20 5 FEBDRM CN1C(=O)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(F)cc1 ZINC000152598150 544672925 /nfs/dbraw/zinc/67/29/25/544672925.db2.gz HTXNOJYMWVYEJM-SUMWQHHRSA-N -1 0 373.340 2.141 20 5 FEBDRM Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000152912294 544710557 /nfs/dbraw/zinc/71/05/57/544710557.db2.gz KNTJXVIZZGPEBV-UHFFFAOYSA-N -1 0 359.367 2.285 20 5 FEBDRM CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000803101189 674222441 /nfs/dbraw/zinc/22/24/41/674222441.db2.gz WODDUEQNPSVGBC-PLNGDYQASA-N -1 0 351.359 2.111 20 5 FEBDRM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000179236033 327632337 /nfs/dbraw/zinc/63/23/37/327632337.db2.gz 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O=C([O-])c1cccn2cc(COC(=O)COc3cccc([N+](=O)[O-])c3)nc12 ZINC000739336857 599987970 /nfs/dbraw/zinc/98/79/70/599987970.db2.gz KICRGNQXWPSUMT-UHFFFAOYSA-N -1 0 371.305 2.063 20 5 FEBDRM O=C([O-])c1cccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000740216514 599990643 /nfs/dbraw/zinc/99/06/43/599990643.db2.gz MVLJAFJPJRBEQY-UHFFFAOYSA-N -1 0 353.294 2.330 20 5 FEBDRM O=C([O-])c1ccc(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000738465979 600002927 /nfs/dbraw/zinc/00/29/27/600002927.db2.gz PBHBWVXFPDMXPF-UHFFFAOYSA-N -1 0 359.294 2.072 20 5 FEBDRM O=C([O-])CNC(=O)c1ccc(N2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000739812561 600009071 /nfs/dbraw/zinc/00/90/71/600009071.db2.gz HIHFNHCYUQSJAN-UHFFFAOYSA-N -1 0 369.377 2.362 20 5 FEBDRM C[C@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(C(=O)[O-])o1 ZINC000736695688 600019783 /nfs/dbraw/zinc/01/97/83/600019783.db2.gz FCRSGZNUHCVJIF-VIFPVBQESA-N -1 0 372.293 2.385 20 5 FEBDRM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cc2cccc([N+](=O)[O-])c2C)cc1 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FEBDRM C[C@](NC(=O)c1cc([N+](=O)[O-])ccc1Br)(C(=O)[O-])C1CC1 ZINC000045622413 600611913 /nfs/dbraw/zinc/61/19/13/600611913.db2.gz UYABTUMLHSKKKP-CYBMUJFWSA-N -1 0 357.160 2.340 20 5 FEBDRM O=C([O-])c1cc(C(=O)NC[C@@H](O)c2c(F)cccc2F)cc([N+](=O)[O-])c1 ZINC000738672483 600731249 /nfs/dbraw/zinc/73/12/49/600731249.db2.gz HEKMIPCDUNIRMV-CYBMUJFWSA-N -1 0 366.276 2.035 20 5 FEBDRM C[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000827767863 600811634 /nfs/dbraw/zinc/81/16/34/600811634.db2.gz LZFVNQHORKAGQZ-SNVBAGLBSA-N -1 0 359.338 2.288 20 5 FEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000833184515 600871780 /nfs/dbraw/zinc/87/17/80/600871780.db2.gz GZRIBIICWVWNSU-UONOGXRCSA-N -1 0 361.398 2.134 20 5 FEBDRM CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000818637090 600906201 /nfs/dbraw/zinc/90/62/01/600906201.db2.gz LHPPOBGDWISLCT-VIFPVBQESA-N -1 0 371.777 2.050 20 5 FEBDRM O=C([O-])CCN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCOCC1 ZINC000767038765 600967050 /nfs/dbraw/zinc/96/70/50/600967050.db2.gz IMXYIKKLRRXIGJ-UHFFFAOYSA-N -1 0 361.354 2.172 20 5 FEBDRM CCc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1[N+](=O)[O-] ZINC000562324153 601059534 /nfs/dbraw/zinc/05/95/34/601059534.db2.gz VRJGKZBMNBAVSM-UHFFFAOYSA-N -1 0 350.371 2.253 20 5 FEBDRM O=C([O-])Cn1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000833276722 601062460 /nfs/dbraw/zinc/06/24/60/601062460.db2.gz VMVYNJLWZHKXNB-UHFFFAOYSA-N -1 0 361.358 2.020 20 5 FEBDRM O=C([O-])CC1(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCCC1 ZINC000833203912 601271531 /nfs/dbraw/zinc/27/15/31/601271531.db2.gz PUOLOMBOVXDOLU-UHFFFAOYSA-N -1 0 350.327 2.231 20 5 FEBDRM CCC1CCC(NC(=O)CCn2cc([N+](=O)[O-])nc2C)(C(=O)[O-])CC1 ZINC000829086102 601275587 /nfs/dbraw/zinc/27/55/87/601275587.db2.gz HCPYCNYKBDXHTR-UHFFFAOYSA-N -1 0 352.391 2.030 20 5 FEBDRM Cc1nc([N+](=O)[O-])cn1CC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC000833005132 601452144 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Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740051234 602269580 /nfs/dbraw/zinc/26/95/80/602269580.db2.gz XMOIVHJZNWLJSU-WCQYABFASA-N -1 0 371.415 2.103 20 5 FEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740236655 602308219 /nfs/dbraw/zinc/30/82/19/602308219.db2.gz CUZKGQGUAAWDBK-GJZGRUSLSA-N -1 0 362.386 2.435 20 5 FEBDRM Cc1cc(N(C)CC(=O)NCc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888222 602318755 /nfs/dbraw/zinc/31/87/55/602318755.db2.gz FUMDYYXDOKKOGE-UHFFFAOYSA-N -1 0 357.366 2.354 20 5 FEBDRM CN(CC1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1)C(=O)[O-] ZINC000739664174 602373611 /nfs/dbraw/zinc/37/36/11/602373611.db2.gz KMLVPXIXTDCHEB-UHFFFAOYSA-N -1 0 374.401 2.133 20 5 FEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830529037 602396561 /nfs/dbraw/zinc/39/65/61/602396561.db2.gz XRQKQPYWTZAIDU-CYBMUJFWSA-N -1 0 369.255 2.305 20 5 FEBDRM O=C([O-])N1CC[C@H](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000740431102 602413834 /nfs/dbraw/zinc/41/38/34/602413834.db2.gz UAYHOIQKUBZNFP-NSHDSACASA-N -1 0 362.386 2.289 20 5 FEBDRM O=C([O-])NC1(c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000740547325 602416972 /nfs/dbraw/zinc/41/69/72/602416972.db2.gz DGASSQZUKIYTPW-UHFFFAOYSA-N -1 0 370.325 2.477 20 5 FEBDRM C[C@H](CNC(=O)[O-])N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000738925600 602446274 /nfs/dbraw/zinc/44/62/74/602446274.db2.gz ASOITTHTHBSUKW-CYBMUJFWSA-N -1 0 367.405 2.269 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000739045964 602586818 /nfs/dbraw/zinc/58/68/18/602586818.db2.gz KHWNKOWYSWBLFK-ONGXEEELSA-N -1 0 371.777 2.274 20 5 FEBDRM Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCCN2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000740301494 602591773 /nfs/dbraw/zinc/59/17/73/602591773.db2.gz WLWIAKNZSSMYSH-LBPRGKRZSA-N -1 0 373.369 2.114 20 5 FEBDRM Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCCN2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000740301493 602591906 /nfs/dbraw/zinc/59/19/06/602591906.db2.gz WLWIAKNZSSMYSH-GFCCVEGCSA-N -1 0 373.369 2.114 20 5 FEBDRM O=C([O-])NCc1nc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cs1 ZINC000740682785 602701460 /nfs/dbraw/zinc/70/14/60/602701460.db2.gz MFMAGHOAVYIVRR-UHFFFAOYSA-N -1 0 355.303 2.315 20 5 FEBDRM O=C([O-])N1CCC[C@H](C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000738513643 602713560 /nfs/dbraw/zinc/71/35/60/602713560.db2.gz FGKRMMRRSUJYNP-NSHDSACASA-N -1 0 359.342 2.109 20 5 FEBDRM O=C([O-])N1CCC[C@@H](COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000740718298 602747561 /nfs/dbraw/zinc/74/75/61/602747561.db2.gz UHVUTFOXLIVWQQ-GFCCVEGCSA-N -1 0 374.353 2.327 20 5 FEBDRM O=C([O-])N1CCCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000740391428 602816165 /nfs/dbraw/zinc/81/61/65/602816165.db2.gz BENXSFZWVWQCIZ-GFCCVEGCSA-N -1 0 362.386 2.431 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCN2C(=O)[O-])cc1OC ZINC000739494988 602914021 /nfs/dbraw/zinc/91/40/21/602914021.db2.gz AEULTUFDIHTVAG-SNVBAGLBSA-N -1 0 368.342 2.301 20 5 FEBDRM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739045226 602944662 /nfs/dbraw/zinc/94/46/62/602944662.db2.gz GUJHHFHZSXSVEA-UWVGGRQHSA-N -1 0 371.777 2.226 20 5 FEBDRM O=C([O-])N[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000740534598 603030787 /nfs/dbraw/zinc/03/07/87/603030787.db2.gz GNMZRLQTBDYZGG-CQSZACIVSA-N -1 0 358.354 2.132 20 5 FEBDRM CC(C)(CC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738737788 603132775 /nfs/dbraw/zinc/13/27/75/603132775.db2.gz YFLNZUCKJRGWHH-UHFFFAOYSA-N -1 0 373.749 2.166 20 5 FEBDRM Cc1c(NC(=O)[C@H](C)OC(=O)CC(C)(C)NC(=O)[O-])cccc1[N+](=O)[O-] ZINC000740044586 603133469 /nfs/dbraw/zinc/13/34/69/603133469.db2.gz AOKAVKGUULCIKB-JTQLQIEISA-N -1 0 367.358 2.210 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000830531438 603135713 /nfs/dbraw/zinc/13/57/13/603135713.db2.gz GUPGLPBPPCKXMZ-NWDGAFQWSA-N -1 0 371.415 2.008 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830413895 603139099 /nfs/dbraw/zinc/13/90/99/603139099.db2.gz CBQOIDPQYVIKFU-WCQYABFASA-N -1 0 371.415 2.008 20 5 FEBDRM O=C([O-])NC1(C(=O)Nc2ccc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000740543162 603173126 /nfs/dbraw/zinc/17/31/26/603173126.db2.gz PWPZXGQNJXXKAD-UHFFFAOYSA-N -1 0 359.313 2.478 20 5 FEBDRM O=C([O-])N1CC[C@@H](COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000740723375 603174693 /nfs/dbraw/zinc/17/46/93/603174693.db2.gz WFLMKEDKVZCDKV-GFCCVEGCSA-N -1 0 363.370 2.352 20 5 FEBDRM CCOc1cc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC ZINC000739495711 603209147 /nfs/dbraw/zinc/20/91/47/603209147.db2.gz ZUDZNYCVOHQTTE-JTQLQIEISA-N -1 0 367.358 2.331 20 5 FEBDRM O=C([O-])NC[C@H]1CCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000832557687 603288485 /nfs/dbraw/zinc/28/84/85/603288485.db2.gz YOBLUYDCFBGZKX-SECBINFHSA-N -1 0 374.300 2.460 20 5 FEBDRM COc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CNC(=O)[O-])cc1SC 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/nfs/dbraw/zinc/45/27/68/603452768.db2.gz FYVMESVHFPLZBU-UHFFFAOYSA-N -1 0 358.354 2.456 20 5 FEBDRM O=C([O-])NC[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000832589662 603455675 /nfs/dbraw/zinc/45/56/75/603455675.db2.gz KLHJPVZOYQDICK-QMMMGPOBSA-N -1 0 372.175 2.087 20 5 FEBDRM COc1ccc(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000829276460 603574256 /nfs/dbraw/zinc/57/42/56/603574256.db2.gz ILVCENMCEDKTDZ-LBPRGKRZSA-N -1 0 353.375 2.358 20 5 FEBDRM CN(C[C@@H]1CCCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(=O)[O-] ZINC000828229469 603608970 /nfs/dbraw/zinc/60/89/70/603608970.db2.gz DIMXVPCWCYTXRZ-INIZCTEOSA-N -1 0 359.386 2.490 20 5 FEBDRM CN(C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCC(NC(=O)[O-])CC1 ZINC000827806496 603638395 /nfs/dbraw/zinc/63/83/95/603638395.db2.gz LUSWXRLPGMJAQR-UHFFFAOYSA-N -1 0 350.375 2.315 20 5 FEBDRM O=C([O-])NCC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000832582400 603705766 /nfs/dbraw/zinc/70/57/66/603705766.db2.gz FBSQIBSLGFQHJY-UHFFFAOYSA-N -1 0 370.793 2.437 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000830532104 603716475 /nfs/dbraw/zinc/71/64/75/603716475.db2.gz LZGFAJQCLKCBBC-FZMZJTMJSA-N -1 0 364.402 2.210 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000830137969 603728197 /nfs/dbraw/zinc/72/81/97/603728197.db2.gz ISJYJZWGEYDPBK-NHYWBVRUSA-N -1 0 364.402 2.210 20 5 FEBDRM C[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CNC(=O)[O-] ZINC000825925448 603729457 /nfs/dbraw/zinc/72/94/57/603729457.db2.gz PQUWIBDTEZXPLM-NHYWBVRUSA-N -1 0 365.386 2.329 20 5 FEBDRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)OCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000832333445 603859303 /nfs/dbraw/zinc/85/93/03/603859303.db2.gz RQGDYEYQYAQWBT-NWDGAFQWSA-N -1 0 352.343 2.343 20 5 FEBDRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832334052 603867603 /nfs/dbraw/zinc/86/76/03/603867603.db2.gz VMQDEHHPFYPYJM-VXGBXAGGSA-N -1 0 350.327 2.147 20 5 FEBDRM O=C([O-])N1CC[C@](F)(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1 ZINC000831907975 603869080 /nfs/dbraw/zinc/86/90/80/603869080.db2.gz MUVBJCHXYZVDJF-OAHLLOKOSA-N -1 0 363.305 2.015 20 5 FEBDRM C[C@H](CC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)[O-] ZINC000824718478 603972564 /nfs/dbraw/zinc/97/25/64/603972564.db2.gz GYNBTTFGXUJZJI-BDAKNGLRSA-N -1 0 364.314 2.295 20 5 FEBDRM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823711548 603979682 /nfs/dbraw/zinc/97/96/82/603979682.db2.gz CXKUYULHUIZCJU-LNSITVRQSA-N -1 0 362.386 2.139 20 5 FEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000825273353 604057172 /nfs/dbraw/zinc/05/71/72/604057172.db2.gz PEEPWMLXUWERPO-ZYHUDNBSSA-N -1 0 362.386 2.352 20 5 FEBDRM Cc1cc(F)cc(C(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])c1[N+](=O)[O-] ZINC000830061310 604062547 /nfs/dbraw/zinc/06/25/47/604062547.db2.gz HRVKSTCSPIYISU-BXKDBHETSA-N -1 0 369.349 2.276 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000829511147 604175185 /nfs/dbraw/zinc/17/51/85/604175185.db2.gz UEPKIKLWRLYFAB-QWRGUYRKSA-N -1 0 351.359 2.112 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000825254390 604195500 /nfs/dbraw/zinc/19/55/00/604195500.db2.gz MJPWBHSRWZZVDD-AVGNSLFASA-N -1 0 364.402 2.290 20 5 FEBDRM CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)NC(=O)[O-] ZINC000823917928 604228378 /nfs/dbraw/zinc/22/83/78/604228378.db2.gz OPFQWDYNPACGQL-UHFFFAOYSA-N -1 0 374.191 2.062 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC[C@H](n3cncn3)C2)cc1Cl ZINC000833307737 604266908 /nfs/dbraw/zinc/26/69/08/604266908.db2.gz RTAWOZYPRUGYHU-VIFPVBQESA-N -1 0 351.750 2.379 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC000833306937 604270223 /nfs/dbraw/zinc/27/02/23/604270223.db2.gz HASHBQJETXPTHG-NSHDSACASA-N -1 0 354.668 2.450 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cnccc1C(=O)[O-] ZINC000832885812 604410992 /nfs/dbraw/zinc/41/09/92/604410992.db2.gz LYSCUBOJSMUEMF-UHFFFAOYSA-N -1 0 372.742 2.418 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832904919 604417225 /nfs/dbraw/zinc/41/72/25/604417225.db2.gz HUMGKHZQNRNXJR-UHFFFAOYSA-N -1 0 356.400 2.230 20 5 FEBDRM C[C@@H](NC(=O)[O-])[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000825372635 604452062 /nfs/dbraw/zinc/45/20/62/604452062.db2.gz PQYSTIBBNQCIQI-PRHODGIISA-N -1 0 363.292 2.475 20 5 FEBDRM C[C@H](NC(=O)[O-])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000825373425 604452920 /nfs/dbraw/zinc/45/29/20/604452920.db2.gz YAUFKPHPEIYFLJ-UFBFGSQYSA-N -1 0 374.191 2.219 20 5 FEBDRM Cc1cc(N2CCC([C@H](O)c3nccn3C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888385 604472479 /nfs/dbraw/zinc/47/24/79/604472479.db2.gz IMTBFGBLJFQLFK-INIZCTEOSA-N -1 0 374.397 2.285 20 5 FEBDRM CS(=O)(=O)c1csc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000833737240 604480013 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O=C([N-]S(=O)(=O)CC(F)(F)F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000744264963 673789901 /nfs/dbraw/zinc/78/99/01/673789901.db2.gz NDWWXLNSZRJSMV-UHFFFAOYSA-N -1 0 368.314 2.431 20 5 FEBDRM Cc1c(Cl)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)nn1C ZINC000600872981 673804603 /nfs/dbraw/zinc/80/46/03/673804603.db2.gz FIBMJWBXDNJRAE-HNNXBMFYSA-N -1 0 366.761 2.020 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC2=CCCCC2)c1 ZINC000546973580 673830155 /nfs/dbraw/zinc/83/01/55/673830155.db2.gz ZPMWRUGVSHIQTN-UHFFFAOYSA-N -1 0 354.384 2.462 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000745965150 673859271 /nfs/dbraw/zinc/85/92/71/673859271.db2.gz QXUGZYUVLGJOJR-UHFFFAOYSA-N -1 0 352.343 2.090 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)cc1[N+](=O)[O-] ZINC000745967205 673859281 /nfs/dbraw/zinc/85/92/81/673859281.db2.gz DOTOHYOCWMKGKQ-UHFFFAOYSA-N -1 0 367.358 2.203 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1COc2ccccc2C1 ZINC000746177700 673866268 /nfs/dbraw/zinc/86/62/68/673866268.db2.gz RNZZQUCBVDNKEB-NSHDSACASA-N -1 0 366.370 2.264 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000746425812 673877300 /nfs/dbraw/zinc/87/73/00/673877300.db2.gz LESDGXBIYOSRDG-UHFFFAOYSA-N -1 0 354.409 2.321 20 5 FEBDRM CCc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000547875672 673895983 /nfs/dbraw/zinc/89/59/83/673895983.db2.gz AYOYTWSYLAEWGW-HNNXBMFYSA-N -1 0 364.379 2.261 20 5 FEBDRM O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547890906 673898355 /nfs/dbraw/zinc/89/83/55/673898355.db2.gz SCMNHPCUQLNSDV-UHFFFAOYSA-N -1 0 354.365 2.106 20 5 FEBDRM O=C([O-])CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000547906595 673902283 /nfs/dbraw/zinc/90/22/83/673902283.db2.gz OJWMGXHMNJURBR-UHFFFAOYSA-N -1 0 368.342 2.009 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C(=O)[O-])[C@@H](C)CC ZINC000547921765 673905108 /nfs/dbraw/zinc/90/51/08/673905108.db2.gz 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CC(C)(C)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000548541533 673968165 /nfs/dbraw/zinc/96/81/65/673968165.db2.gz DUWYUOLMUFHOTL-GFCCVEGCSA-N -1 0 358.416 2.151 20 5 FEBDRM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000548560933 673972115 /nfs/dbraw/zinc/97/21/15/673972115.db2.gz GINCEYNQCRYJII-CQSZACIVSA-N -1 0 358.416 2.331 20 5 FEBDRM CC(C)=CCSC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000548590831 673977177 /nfs/dbraw/zinc/97/71/77/673977177.db2.gz ASZWBLSOSVHSAA-LLVKDONJSA-N -1 0 374.440 2.026 20 5 FEBDRM C[C@H](CCC[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000548591832 673977454 /nfs/dbraw/zinc/97/74/54/673977454.db2.gz KMFQBQCBPQVXIR-OLZOCXBDSA-N -1 0 372.443 2.336 20 5 FEBDRM CCC[C@H](C)C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000548593849 673977805 /nfs/dbraw/zinc/97/78/05/673977805.db2.gz UWNPXWBORPZSCJ-FZMZJTMJSA-N -1 0 358.416 2.294 20 5 FEBDRM CC1([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])CCCCC1 ZINC000548685476 673986952 /nfs/dbraw/zinc/98/69/52/673986952.db2.gz NFDTXAKQZJXNML-ZDUSSCGKSA-N -1 0 356.400 2.297 20 5 FEBDRM Cc1cc(N2CCC[C@@H](S(C)(=O)=O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566296825 675201785 /nfs/dbraw/zinc/20/17/85/675201785.db2.gz IHASDQLSXOQGDP-LLVKDONJSA-N -1 0 356.400 2.005 20 5 FEBDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000603552508 675799921 /nfs/dbraw/zinc/79/99/21/675799921.db2.gz VYVWBZPXJOHBFR-OAHLLOKOSA-N -1 0 364.379 2.398 20 5 FEBDRM Cc1ccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc2c1 ZINC000604126490 675803744 /nfs/dbraw/zinc/80/37/44/675803744.db2.gz CSTQCBDQVOVKKQ-UHFFFAOYSA-N -1 0 364.358 2.169 20 5 FEBDRM Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000604369998 675804223 /nfs/dbraw/zinc/80/42/23/675804223.db2.gz DUBAOCHTXNEVBI-UHFFFAOYSA-N -1 0 366.395 2.275 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)(C)C ZINC000619470568 676378568 /nfs/dbraw/zinc/37/85/68/676378568.db2.gz MXPAOCMLTBDRTI-SNVBAGLBSA-N -1 0 374.415 2.161 20 5 FEBDRM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1N ZINC000619855529 676397369 /nfs/dbraw/zinc/39/73/69/676397369.db2.gz FODZLWZIRCMUTL-UHFFFAOYSA-N -1 0 365.367 2.073 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000761426696 680723081 /nfs/dbraw/zinc/72/30/81/680723081.db2.gz FGTYBHCWXLGZDS-UHFFFAOYSA-N -1 0 372.305 2.000 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000761429521 680723193 /nfs/dbraw/zinc/72/31/93/680723193.db2.gz SJSIWVABSMFCLB-GHMZBOCLSA-N -1 0 356.400 2.235 20 5 FEBDRM CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1CC ZINC000839063864 680735199 /nfs/dbraw/zinc/73/51/99/680735199.db2.gz OWTYTMHOKQMZOF-ZYHUDNBSSA-N -1 0 355.416 2.268 20 5 FEBDRM Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000762736905 680760124 /nfs/dbraw/zinc/76/01/24/680760124.db2.gz RGVZXSDNPAVCJM-GFCCVEGCSA-N -1 0 366.395 2.288 20 5 FEBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1F ZINC000763514770 680784884 /nfs/dbraw/zinc/78/48/84/680784884.db2.gz PDVGOHNQEFAELT-UHFFFAOYSA-N -1 0 368.342 2.170 20 5 FEBDRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000764288651 680805638 /nfs/dbraw/zinc/80/56/38/680805638.db2.gz OVLIZNBYXCJKDJ-VAWYXSNFSA-N -1 0 370.427 2.259 20 5 FEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)CCC(C)(C)OC)cc1[N+](=O)[O-] ZINC000764287269 680805660 /nfs/dbraw/zinc/80/56/60/680805660.db2.gz MDCGQGRBXKPYTD-UHFFFAOYSA-N -1 0 358.416 2.032 20 5 FEBDRM CC1(F)CN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])C1 ZINC000830890098 679893734 /nfs/dbraw/zinc/89/37/34/679893734.db2.gz VXKNXCJSDIAPAM-UHFFFAOYSA-N -1 0 354.725 2.324 20 5 FEBDRM NC(=O)c1ccc(COC(=O)c2cc(F)c([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000748479332 679968317 /nfs/dbraw/zinc/96/83/17/679968317.db2.gz ZGXIERAADLCJLY-UHFFFAOYSA-N -1 0 352.249 2.035 20 5 FEBDRM CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000833508755 680194812 /nfs/dbraw/zinc/19/48/12/680194812.db2.gz XIPSSHXAKBBAEA-JTQLQIEISA-N -1 0 352.391 2.404 20 5 FEBDRM CCCO[N-]C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000834356732 680216890 /nfs/dbraw/zinc/21/68/90/680216890.db2.gz PUKAVINUWGUBJU-UHFFFAOYSA-N -1 0 360.164 2.062 20 5 FEBDRM C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000835116515 680297484 /nfs/dbraw/zinc/29/74/84/680297484.db2.gz IPTYCIYHHAOFLI-VIFPVBQESA-N -1 0 369.355 2.054 20 5 FEBDRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835122817 680298003 /nfs/dbraw/zinc/29/80/03/680298003.db2.gz AVKINRIYDFPUFE-UHFFFAOYSA-N -1 0 351.469 2.085 20 5 FEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC000753525773 680302376 /nfs/dbraw/zinc/30/23/76/680302376.db2.gz DDTGAKQGYLRSKR-UHFFFAOYSA-N -1 0 355.759 2.070 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCC(=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000835166072 680302971 /nfs/dbraw/zinc/30/29/71/680302971.db2.gz JWCFMFZBLUNZCC-UHFFFAOYSA-N -1 0 370.427 2.494 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000835222821 680307928 /nfs/dbraw/zinc/30/79/28/680307928.db2.gz DXIKTXDCTZVRAO-MEBBXXQBSA-N -1 0 356.400 2.235 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)C2=CC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000835223271 680307967 /nfs/dbraw/zinc/30/79/67/680307967.db2.gz IBKWIDJOYHLNFW-SNVBAGLBSA-N -1 0 354.384 2.155 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)/C=C2/CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000753799248 680315644 /nfs/dbraw/zinc/31/56/44/680315644.db2.gz RDSLGUWYCIANRF-UBYNWHESSA-N -1 0 354.384 2.155 20 5 FEBDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835295467 680315878 /nfs/dbraw/zinc/31/58/78/680315878.db2.gz TUDNWKHKXVTTJK-UHFFFAOYSA-N -1 0 365.411 2.184 20 5 FEBDRM 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CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000756098525 680460013 /nfs/dbraw/zinc/46/00/13/680460013.db2.gz WFMFUTDMVKDVFB-UHFFFAOYSA-N -1 0 365.411 2.251 20 5 FEBDRM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCF ZINC000757745568 680534983 /nfs/dbraw/zinc/53/49/83/680534983.db2.gz QSYXRTYJYYRDJT-UHFFFAOYSA-N -1 0 359.148 2.134 20 5 FEBDRM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])NC(=O)OC(C)(C)C ZINC000836793541 680514830 /nfs/dbraw/zinc/51/48/30/680514830.db2.gz YDDGKNPTLRKDAW-SNVBAGLBSA-N -1 0 353.375 2.334 20 5 FEBDRM CC(C)C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000837283302 680579961 /nfs/dbraw/zinc/57/99/61/680579961.db2.gz CAUKNHJSPNZUGD-VIFPVBQESA-N -1 0 368.770 2.165 20 5 FEBDRM CC[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000837287707 680580668 /nfs/dbraw/zinc/58/06/68/680580668.db2.gz HUBJFVCSCWHYKJ-SSDOTTSWSA-N -1 0 368.770 2.167 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000759144790 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CCC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000783379520 682139758 /nfs/dbraw/zinc/13/97/58/682139758.db2.gz UEHMXGHCRBUARE-UHFFFAOYSA-N -1 0 368.392 2.368 20 5 FEBDRM CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c(F)c1 ZINC000783378873 682139805 /nfs/dbraw/zinc/13/98/05/682139805.db2.gz QQOOSORMGBMSNO-UHFFFAOYSA-N -1 0 372.355 2.117 20 5 FEBDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000916767032 685527542 /nfs/dbraw/zinc/52/75/42/685527542.db2.gz IGVCVVXPWJUCFG-UHFFFAOYSA-N -1 0 365.323 2.065 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccnc1C1CC1 ZINC000784925222 682261444 /nfs/dbraw/zinc/26/14/44/682261444.db2.gz IHAIPYZTACRGAC-UHFFFAOYSA-N -1 0 365.342 2.125 20 5 FEBDRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000785091093 682273024 /nfs/dbraw/zinc/27/30/24/682273024.db2.gz NQYOHKKIPVEBPP-ZETCQYMHSA-N -1 0 352.315 2.054 20 5 FEBDRM COc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000785124423 682275177 /nfs/dbraw/zinc/27/51/77/682275177.db2.gz REXTZXMJUNFNRE-UHFFFAOYSA-N -1 0 364.379 2.172 20 5 FEBDRM Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000918399625 685539059 /nfs/dbraw/zinc/53/90/59/685539059.db2.gz RHMNQQCFGWCLRU-UHFFFAOYSA-N -1 0 356.291 2.025 20 5 FEBDRM Cc1c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852960346 682360011 /nfs/dbraw/zinc/36/00/11/682360011.db2.gz FLPVWNGSDVGPQR-LBPRGKRZSA-N -1 0 351.315 2.042 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C=C1CCSCC1 ZINC000789478134 682608137 /nfs/dbraw/zinc/60/81/37/682608137.db2.gz DOBWPWOYBXSABR-UHFFFAOYSA-N -1 0 356.425 2.162 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)/C=C\c1cccs1 ZINC000789482413 682608883 /nfs/dbraw/zinc/60/88/83/682608883.db2.gz JVYFUWXWKWKXHA-FPLPWBNLSA-N -1 0 352.393 2.483 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)Cc1cccc(F)c1F ZINC000789489497 682609697 /nfs/dbraw/zinc/60/96/97/682609697.db2.gz PBWVHYRQYNTSFE-UHFFFAOYSA-N -1 0 370.333 2.229 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H](F)Cc1ccccc1 ZINC000789488907 682609710 /nfs/dbraw/zinc/60/97/10/682609710.db2.gz KFBJYNCXNYXNLF-CYBMUJFWSA-N -1 0 366.370 2.289 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccsc2C(N)=O)c1[N+](=O)[O-] ZINC000790640420 682690635 /nfs/dbraw/zinc/69/06/35/682690635.db2.gz VBAPCSNFEWYJHO-UHFFFAOYSA-N -1 0 355.397 2.173 20 5 FEBDRM Cn1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000791431697 682742854 /nfs/dbraw/zinc/74/28/54/682742854.db2.gz LHAMBDBPUWTNAO-UHFFFAOYSA-N -1 0 351.171 2.436 20 5 FEBDRM COc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)cc([N+](=O)[O-])c1C ZINC000791766825 682764839 /nfs/dbraw/zinc/76/48/39/682764839.db2.gz GZGPMAPDNLYZRU-UHFFFAOYSA-N -1 0 364.379 2.172 20 5 FEBDRM CCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000793156471 682868188 /nfs/dbraw/zinc/86/81/88/682868188.db2.gz PUEAUNKZHLVKJX-UHFFFAOYSA-N -1 0 365.205 2.135 20 5 FEBDRM CNc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)cccc1[N+](=O)[O-] ZINC000793163485 682868605 /nfs/dbraw/zinc/86/86/05/682868605.db2.gz ICXHUEVCTIHKTK-UHFFFAOYSA-N -1 0 367.358 2.203 20 5 FEBDRM CO[C@H](C)[C@@H](C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000794001969 682925501 /nfs/dbraw/zinc/92/55/01/682925501.db2.gz CKRIYOWWHUNAIL-RKDXNWHRSA-N -1 0 368.777 2.293 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)c1 ZINC000795961335 683112809 /nfs/dbraw/zinc/11/28/09/683112809.db2.gz USRWXIRPFNOKHA-ZETCQYMHSA-N -1 0 354.812 2.419 20 5 FEBDRM CCCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000796775511 683194871 /nfs/dbraw/zinc/19/48/71/683194871.db2.gz RAWFCIILPQUVON-UHFFFAOYSA-N -1 0 371.346 2.102 20 5 FEBDRM Cc1oc(C(C)C)nc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000797236507 683233922 /nfs/dbraw/zinc/23/39/22/683233922.db2.gz WPOAHKUDOKYFHX-UHFFFAOYSA-N -1 0 371.346 2.272 20 5 FEBDRM CCC[C@H](OCC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860444628 683244288 /nfs/dbraw/zinc/24/42/88/683244288.db2.gz JNCSCXAESGUDCP-LBPRGKRZSA-N -1 0 364.807 2.258 20 5 FEBDRM CC1(c2ncc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)s2)OCCO1 ZINC000860736570 683285796 /nfs/dbraw/zinc/28/57/96/683285796.db2.gz WJKORDHTYPIOGW-UHFFFAOYSA-N -1 0 351.340 2.229 20 5 FEBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]Cc2cccc(CO)c2)c1 ZINC000798228475 683325277 /nfs/dbraw/zinc/32/52/77/683325277.db2.gz LIGRTSPEAZWBGS-UHFFFAOYSA-N -1 0 374.777 2.358 20 5 FEBDRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)cn2n1 ZINC000798247235 683327484 /nfs/dbraw/zinc/32/74/84/683327484.db2.gz RYIJCFGVLRUWSO-UHFFFAOYSA-N -1 0 365.346 2.194 20 5 FEBDRM CCCc1occc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000798849159 683397423 /nfs/dbraw/zinc/39/74/23/683397423.db2.gz UXKXBQCQUQPXGU-UHFFFAOYSA-N -1 0 356.331 2.398 20 5 FEBDRM C[C@H](Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000921135826 683399915 /nfs/dbraw/zinc/39/99/15/683399915.db2.gz VXUHUMBNAHBNAE-LLVKDONJSA-N -1 0 366.370 2.418 20 5 FEBDRM O=C([O-])C1=CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000864166854 683808290 /nfs/dbraw/zinc/80/82/90/683808290.db2.gz VWULGWHXLQMLSC-SNVBAGLBSA-N -1 0 369.171 2.189 20 5 FEBDRM O=C([O-])CS[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000864220351 683818360 /nfs/dbraw/zinc/81/83/60/683818360.db2.gz DZWXMUHESTXVRT-JTQLQIEISA-N -1 0 366.317 2.002 20 5 FEBDRM Cc1ccc(C(=O)NC[C@H](SCC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-] ZINC000864220664 683818601 /nfs/dbraw/zinc/81/86/01/683818601.db2.gz GKHJQDQZRKNHQC-JTQLQIEISA-N -1 0 366.317 2.382 20 5 FEBDRM O=C(CC[N-]C(=O)C(F)(F)F)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000865352440 683972784 /nfs/dbraw/zinc/97/27/84/683972784.db2.gz MAACSRCWMSAJKR-UHFFFAOYSA-N -1 0 354.668 2.265 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCC12CCOCC2 ZINC000867776656 684381114 /nfs/dbraw/zinc/38/11/14/684381114.db2.gz MNXWXUFTJZBUSA-NSHDSACASA-N -1 0 358.391 2.219 20 5 FEBDRM O=C([N-]CC1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C1)C(F)(F)F ZINC000877776988 686454914 /nfs/dbraw/zinc/45/49/14/686454914.db2.gz JMXLNHFWLUSCMA-UHFFFAOYSA-N -1 0 351.712 2.359 20 5 FEBDRM COc1cncc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000500476085 688088521 /nfs/dbraw/zinc/08/85/21/688088521.db2.gz QSGXNLATLYSVHS-UHFFFAOYSA-N -1 0 360.351 2.347 20 5 FEBDRM COc1ccc([C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000577453925 939746493 /nfs/dbraw/zinc/74/64/93/939746493.db2.gz QJONPMJLUUYKAM-MRXNPFEDSA-N -1 0 373.365 2.271 20 5 FEBDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C(=O)[O-])C1 ZINC000593012138 939802274 /nfs/dbraw/zinc/80/22/74/939802274.db2.gz WOTAZDJVXFZYLG-CFVMTHIKSA-N -1 0 365.386 2.052 20 5 FEBDRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871435 939803924 /nfs/dbraw/zinc/80/39/24/939803924.db2.gz CGKAPXDYLKYPLJ-MGNBDDOMSA-N -1 0 374.397 2.165 20 5 FEBDRM C[C@](NC(=O)CN1CCc2ccccc21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876314 939805469 /nfs/dbraw/zinc/80/54/69/939805469.db2.gz POWINDSZJLQPCT-LJQANCHMSA-N -1 0 369.377 2.074 20 5 FEBDRM Cc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cccc1[N+](=O)[O-] ZINC000022185422 539692095 /nfs/dbraw/zinc/69/20/95/539692095.db2.gz MPJYJGBCTLDAHS-UHFFFAOYSA-N -1 0 358.379 2.473 20 5 FEBDRM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000028688836 539835285 /nfs/dbraw/zinc/83/52/85/539835285.db2.gz SXHBQLOVKKNJHK-UHFFFAOYSA-N -1 0 361.379 2.288 20 5 FEBDRM O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000029433775 539852598 /nfs/dbraw/zinc/85/25/98/539852598.db2.gz DEALYZVLQTTWBO-UHFFFAOYSA-N -1 0 371.802 2.453 20 5 FEBDRM NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800933769 674091592 /nfs/dbraw/zinc/09/15/92/674091592.db2.gz PRKZJANGULSKSS-UHFFFAOYSA-N -1 0 373.437 2.035 20 5 FEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047521984 540316005 /nfs/dbraw/zinc/31/60/05/540316005.db2.gz ORYRGTIJVXOWSU-UHFFFAOYSA-N -1 0 369.786 2.409 20 5 FEBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1NS(C)(=O)=O ZINC000064752668 541216949 /nfs/dbraw/zinc/21/69/49/541216949.db2.gz QFWUGUYOPUOEHQ-UHFFFAOYSA-N -1 0 365.367 2.233 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000065833928 541265619 /nfs/dbraw/zinc/26/56/19/541265619.db2.gz YBUYDXKDKQSZLK-UHFFFAOYSA-N -1 0 354.388 2.356 20 5 FEBDRM Cc1ccc([C@@H](C)NC(=O)C(=O)N=c2ncn(C(C)(C)C)[n-]2)cc1[N+](=O)[O-] ZINC000542290968 541375529 /nfs/dbraw/zinc/37/55/29/541375529.db2.gz JUFGEVYWCNPROD-LLVKDONJSA-N -1 0 374.401 2.066 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(N)=O ZINC000063182280 212031751 /nfs/dbraw/zinc/03/17/51/212031751.db2.gz IWHSMAYHRUNGNR-UHFFFAOYSA-N -1 0 369.786 2.456 20 5 FEBDRM Cn1ccc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1=O ZINC000551116353 674124959 /nfs/dbraw/zinc/12/49/59/674124959.db2.gz XFQWNRSCRAEOCG-UHFFFAOYSA-N -1 0 359.363 2.248 20 5 FEBDRM O=C(OC[C@H]1CCCO1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000801387436 674125058 /nfs/dbraw/zinc/12/50/58/674125058.db2.gz SGFQUPKBCQHFGI-SNVBAGLBSA-N -1 0 367.745 2.475 20 5 FEBDRM COC[C@H](C)OC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000801387380 674125237 /nfs/dbraw/zinc/12/52/37/674125237.db2.gz RJOSZGMYBIIHMY-QMMMGPOBSA-N -1 0 355.734 2.331 20 5 FEBDRM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000015246883 211125850 /nfs/dbraw/zinc/12/58/50/211125850.db2.gz KOKSBHUCRBVAKU-UHFFFAOYSA-N -1 0 363.395 2.372 20 5 FEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn(Cc2cccc(F)c2)nn1 ZINC000092550084 542870614 /nfs/dbraw/zinc/87/06/14/542870614.db2.gz HQYVHDRXNQWZPZ-UHFFFAOYSA-N -1 0 357.301 2.332 20 5 FEBDRM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092585324 542872642 /nfs/dbraw/zinc/87/26/42/542872642.db2.gz OZRKDPVDCQSEQJ-LLVKDONJSA-N -1 0 365.411 2.141 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000093928968 542946483 /nfs/dbraw/zinc/94/64/83/542946483.db2.gz HRPQHMVIIGLVSP-UHFFFAOYSA-N -1 0 363.395 2.406 20 5 FEBDRM Cc1nnc([C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c2ccccc2)[nH]1 ZINC000103282046 543100422 /nfs/dbraw/zinc/10/04/22/543100422.db2.gz DLGSOHWVTXLZHA-OAHLLOKOSA-N -1 0 353.338 2.246 20 5 FEBDRM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC000104390330 543131162 /nfs/dbraw/zinc/13/11/62/543131162.db2.gz OCISWVUAMUJGJE-UHFFFAOYSA-N -1 0 356.294 2.199 20 5 FEBDRM Cc1sc(S(=O)(=O)N[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000123111745 543742881 /nfs/dbraw/zinc/74/28/81/543742881.db2.gz XWFFTXLYLYPKDE-NSHDSACASA-N -1 0 354.409 2.247 20 5 FEBDRM Cc1oc(C(C)C)nc1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000802801326 674198989 /nfs/dbraw/zinc/19/89/89/674198989.db2.gz ZKFMNQQSOQONDW-UHFFFAOYSA-N -1 0 367.383 2.442 20 5 FEBDRM O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000131977877 544214074 /nfs/dbraw/zinc/21/40/74/544214074.db2.gz KQVHOMHFFJTJDR-UHFFFAOYSA-N -1 0 369.377 2.353 20 5 FEBDRM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)C[C@@H]3CCCCO3)n[nH]2)c1 ZINC000153191579 544744796 /nfs/dbraw/zinc/74/47/96/544744796.db2.gz QASYWJKXFAJCJN-ZDUSSCGKSA-N -1 0 366.399 2.296 20 5 FEBDRM CC(C)CO[N-]C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000802841584 674201721 /nfs/dbraw/zinc/20/17/21/674201721.db2.gz ZWJRAJFSJIYBPS-UHFFFAOYSA-N -1 0 360.208 2.497 20 5 FEBDRM Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc2ccc(F)cc21 ZINC000179488955 327646237 /nfs/dbraw/zinc/64/62/37/327646237.db2.gz BJMVGFHCHSCEMY-UHFFFAOYSA-N -1 0 358.329 2.299 20 5 FEBDRM Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000185792740 327933156 /nfs/dbraw/zinc/93/31/56/327933156.db2.gz GTKLUJYYGIPZAA-INIZCTEOSA-N -1 0 373.340 2.061 20 5 FEBDRM COc1ccccc1N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000188031519 328061526 /nfs/dbraw/zinc/06/15/26/328061526.db2.gz MNNNPYKCZUHILZ-GFCCVEGCSA-N -1 0 357.366 2.318 20 5 FEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cn(Cc2ccccc2)nn1 ZINC000192625438 328329335 /nfs/dbraw/zinc/32/93/35/328329335.db2.gz RDEYWGPJEGETPG-UHFFFAOYSA-N -1 0 359.367 2.035 20 5 FEBDRM O=C([O-])[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000192942859 328348033 /nfs/dbraw/zinc/34/80/33/328348033.db2.gz YBPPTUOBSQYKFJ-LBPRGKRZSA-N -1 0 352.306 2.300 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2C ZINC000193458906 328376801 /nfs/dbraw/zinc/37/68/01/328376801.db2.gz YCCBEEVNZKABLR-UHFFFAOYSA-N -1 0 361.379 2.223 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000055630734 324783895 /nfs/dbraw/zinc/78/38/95/324783895.db2.gz YXWGWXZOAWOWGI-CYBMUJFWSA-N -1 0 366.399 2.080 20 5 FEBDRM COc1ccccc1N1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119183780 326135019 /nfs/dbraw/zinc/13/50/19/326135019.db2.gz ZITOEBWRSXVRPV-CYBMUJFWSA-N -1 0 357.366 2.318 20 5 FEBDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(C)n3)cc12 ZINC000165229882 327077152 /nfs/dbraw/zinc/07/71/52/327077152.db2.gz FWBUUSKQGXSSBT-UHFFFAOYSA-N -1 0 363.355 2.198 20 5 FEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000166129840 327080683 /nfs/dbraw/zinc/08/06/83/327080683.db2.gz KEVRYXUEJXLIHZ-UHFFFAOYSA-N -1 0 370.296 2.238 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000261728794 328814971 /nfs/dbraw/zinc/81/49/71/328814971.db2.gz RKNWPCHLHMZYSU-UBHSHLNASA-N -1 0 368.411 2.310 20 5 FEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000262081852 328840550 /nfs/dbraw/zinc/84/05/50/328840550.db2.gz DRQZXMAQDKMGPS-LKFCYVNXSA-N -1 0 356.425 2.152 20 5 FEBDRM CN(CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000262093019 328841715 /nfs/dbraw/zinc/84/17/15/328841715.db2.gz GQOBOSCPWMTSRX-OAHLLOKOSA-N -1 0 369.377 2.242 20 5 FEBDRM O=C([O-])CC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000262257741 328854508 /nfs/dbraw/zinc/85/45/08/328854508.db2.gz FNURNCYCJSVXJA-UHFFFAOYSA-N -1 0 358.354 2.107 20 5 FEBDRM CCOc1ccc(C(=O)NC2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC000262265634 328855209 /nfs/dbraw/zinc/85/52/09/328855209.db2.gz ZKLBIZIIIXGGCS-UHFFFAOYSA-N -1 0 354.384 2.074 20 5 FEBDRM CCN(CCC(=O)[O-])C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000262648715 328878795 /nfs/dbraw/zinc/87/87/95/328878795.db2.gz ROPUZOYVKJNCFW-UHFFFAOYSA-N -1 0 356.400 2.160 20 5 FEBDRM C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C(=O)[O-])C1 ZINC000262913972 328899703 /nfs/dbraw/zinc/89/97/03/328899703.db2.gz FOMGBLIIZWGMFK-YMTOWFKASA-N -1 0 359.338 2.174 20 5 FEBDRM Cc1cc(C)c(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263065579 328912401 /nfs/dbraw/zinc/91/24/01/328912401.db2.gz GEHUXOWHLFCGFI-NWDGAFQWSA-N -1 0 356.400 2.085 20 5 FEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000263092379 328914917 /nfs/dbraw/zinc/91/49/17/328914917.db2.gz IZEWZQCNOFEYPC-DTWKUNHWSA-N -1 0 362.791 2.122 20 5 FEBDRM O=C([O-])CC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000263299842 328931588 /nfs/dbraw/zinc/93/15/88/328931588.db2.gz UHHHPIORHNTLGM-UHFFFAOYSA-N -1 0 358.354 2.107 20 5 FEBDRM CC(C)OCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000267238944 329305844 /nfs/dbraw/zinc/30/58/44/329305844.db2.gz BIFCJBISAFGKHM-UHFFFAOYSA-N -1 0 354.331 2.363 20 5 FEBDRM C[C@H](c1cccnc1)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269213020 329497023 /nfs/dbraw/zinc/49/70/23/329497023.db2.gz WTWLJTDPNRIENV-CYBMUJFWSA-N -1 0 356.382 2.214 20 5 FEBDRM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271472768 329696431 /nfs/dbraw/zinc/69/64/31/329696431.db2.gz IUWCBXFCNMWQRM-CABZTGNLSA-N -1 0 353.400 2.187 20 5 FEBDRM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271472770 329696434 /nfs/dbraw/zinc/69/64/34/329696434.db2.gz IUWCBXFCNMWQRM-SKDRFNHKSA-N -1 0 353.400 2.187 20 5 FEBDRM CS(=O)(=O)CC1(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000272069610 329749384 /nfs/dbraw/zinc/74/93/84/329749384.db2.gz HPMJFEXLESQODW-UHFFFAOYSA-N -1 0 362.791 2.107 20 5 FEBDRM O=C(NCc1ccnc(OC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272365956 329774402 /nfs/dbraw/zinc/77/44/02/329774402.db2.gz GGBLQVFZHBLBIW-UHFFFAOYSA-N -1 0 373.365 2.183 20 5 FEBDRM CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272502333 329786195 /nfs/dbraw/zinc/78/61/95/329786195.db2.gz IOJJZSMEYFLVHJ-LBPRGKRZSA-N -1 0 359.386 2.493 20 5 FEBDRM Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272711755 329807025 /nfs/dbraw/zinc/80/70/25/329807025.db2.gz XWCMTMKNPXHRJE-UHFFFAOYSA-N -1 0 358.354 2.093 20 5 FEBDRM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000273261619 329850368 /nfs/dbraw/zinc/85/03/68/329850368.db2.gz TWUAFEMAAGJHGX-GFCCVEGCSA-N -1 0 365.386 2.382 20 5 FEBDRM 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ZINC000364810279 330206713 /nfs/dbraw/zinc/20/67/13/330206713.db2.gz LDIGREDJVWSPES-UHFFFAOYSA-N -1 0 358.285 2.420 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc2C1 ZINC000554711204 674331805 /nfs/dbraw/zinc/33/18/05/674331805.db2.gz WKBXSCFEPCQGDG-NSHDSACASA-N -1 0 370.333 2.155 20 5 FEBDRM CO[C@H](C)c1nc(=NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)s[n-]1 ZINC000554750536 674334667 /nfs/dbraw/zinc/33/46/67/674334667.db2.gz IXRGAGTUEOWJPA-ZCFIWIBFSA-N -1 0 358.326 2.035 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)c([N+](=O)[O-])n1 ZINC000555707782 674372946 /nfs/dbraw/zinc/37/29/46/674372946.db2.gz SHMSNKHUHPBMCO-UHFFFAOYSA-N -1 0 351.344 2.062 20 5 FEBDRM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159916130 545991390 /nfs/dbraw/zinc/99/13/90/545991390.db2.gz RXEWTXLFZFMQGG-UHFFFAOYSA-N -1 0 368.349 2.199 20 5 FEBDRM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160186679 546015542 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CC1=C(C(=O)[O-])[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)NC(=O)N1 ZINC000736751045 600565169 /nfs/dbraw/zinc/56/51/69/600565169.db2.gz OFDSVEBRHNPEEL-LBPRGKRZSA-N -1 0 360.351 2.431 20 5 FEBDRM C[C@](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)(C(=O)[O-])C1CC1 ZINC000736632075 600611591 /nfs/dbraw/zinc/61/15/91/600611591.db2.gz RRTPEWJWTUXUFN-GOSISDBHSA-N -1 0 361.398 2.181 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)ccc1[N+](=O)[O-] ZINC000548553893 600611929 /nfs/dbraw/zinc/61/19/29/600611929.db2.gz ACQZTJBUVQUMBA-UHFFFAOYSA-N -1 0 362.363 2.353 20 5 FEBDRM C[C@H](CSc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736619217 600626117 /nfs/dbraw/zinc/62/61/17/600626117.db2.gz WPSLIGPWDGDFMU-ZCFIWIBFSA-N -1 0 355.340 2.404 20 5 FEBDRM C[C@@H](OC(=O)C(C)(C)NC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000827804475 600662358 /nfs/dbraw/zinc/66/23/58/600662358.db2.gz YYNBJSAWSRDBEV-SSDOTTSWSA-N -1 0 373.749 2.165 20 5 FEBDRM 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CCC(C)(C)OCC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000838781220 680719048 /nfs/dbraw/zinc/71/90/48/680719048.db2.gz GPUOIVXRWXGHMZ-UHFFFAOYSA-N -1 0 358.416 2.222 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(F)(F)F ZINC000838790815 680719642 /nfs/dbraw/zinc/71/96/42/680719642.db2.gz LMMDXCOHSWELLI-QMMMGPOBSA-N -1 0 354.306 2.297 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCCC2 ZINC000838934446 680728012 /nfs/dbraw/zinc/72/80/12/680728012.db2.gz VVDZZFOXXOQDLJ-LBPRGKRZSA-N -1 0 367.427 2.412 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1 ZINC000838936048 680728241 /nfs/dbraw/zinc/72/82/41/680728241.db2.gz MQAQMKWJWCJEKC-LBPRGKRZSA-N -1 0 373.456 2.117 20 5 FEBDRM CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(C)CC1 ZINC000839078148 680736366 /nfs/dbraw/zinc/73/63/66/680736366.db2.gz ANCVEDLGVYICNQ-UHFFFAOYSA-N -1 0 355.416 2.412 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CSCC(F)(F)F ZINC000762041076 680738764 /nfs/dbraw/zinc/73/87/64/680738764.db2.gz RDQZNKZYJAMACN-UHFFFAOYSA-N -1 0 372.346 2.004 20 5 FEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000762063786 680739673 /nfs/dbraw/zinc/73/96/73/680739673.db2.gz IOSURRJDIOWYGR-QMMMGPOBSA-N -1 0 364.832 2.115 20 5 FEBDRM CSc1ccc(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000762733308 680760153 /nfs/dbraw/zinc/76/01/53/680760153.db2.gz YOWZYPZPZSEKAI-UHFFFAOYSA-N -1 0 370.408 2.212 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000764053308 680799038 /nfs/dbraw/zinc/79/90/38/680799038.db2.gz OHFVLJXACBJHIB-SECBINFHSA-N -1 0 369.786 2.252 20 5 FEBDRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000764288940 680805611 /nfs/dbraw/zinc/80/56/11/680805611.db2.gz KWVATMVGLNYZCX-UHFFFAOYSA-N -1 0 372.443 2.134 20 5 FEBDRM COC(C)(C)CCS(=O)(=O)[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000764311215 680806530 /nfs/dbraw/zinc/80/65/30/680806530.db2.gz QLSNIMIGPKPRNO-UHFFFAOYSA-N -1 0 364.807 2.123 20 5 FEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000764563250 680814882 /nfs/dbraw/zinc/81/48/82/680814882.db2.gz XDXDKNPSFMYETF-UHFFFAOYSA-N -1 0 367.408 2.221 20 5 FEBDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000764564595 680814908 /nfs/dbraw/zinc/81/49/08/680814908.db2.gz URSAJTGBFOEBKE-LBPRGKRZSA-N -1 0 358.416 2.481 20 5 FEBDRM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000750759293 680131622 /nfs/dbraw/zinc/13/16/22/680131622.db2.gz JHYLOPKWUFFEBS-CSKARUKUSA-N -1 0 365.342 2.037 20 5 FEBDRM O=C(/C=C\c1ccc(Cl)s1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000750765014 680132016 /nfs/dbraw/zinc/13/20/16/680132016.db2.gz VKSRBJZNZGCCIU-KXFIGUGUSA-N -1 0 373.799 2.223 20 5 FEBDRM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000750885392 680137918 /nfs/dbraw/zinc/13/79/18/680137918.db2.gz SEVQISKQKGDFHD-UHFFFAOYSA-N -1 0 371.459 2.401 20 5 FEBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000751483020 680181898 /nfs/dbraw/zinc/18/18/98/680181898.db2.gz BLZLPEIHPTZRIC-XPTSAGLGSA-N -1 0 372.349 2.273 20 5 FEBDRM CCOC(=O)N(C)C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833658811 680197079 /nfs/dbraw/zinc/19/70/79/680197079.db2.gz JRCLHKAKGCMJKT-UHFFFAOYSA-N -1 0 351.359 2.350 20 5 FEBDRM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835029057 680287122 /nfs/dbraw/zinc/28/71/22/680287122.db2.gz QCFGQPZFQYBXEC-YWVKMMECSA-N -1 0 358.803 2.489 20 5 FEBDRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000835035903 680289082 /nfs/dbraw/zinc/28/90/82/680289082.db2.gz MUXWLBWGYPGKFU-LLVKDONJSA-N -1 0 358.416 2.481 20 5 FEBDRM CC(C)CS(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835114397 680297185 /nfs/dbraw/zinc/29/71/85/680297185.db2.gz AEWXJNGAVFSLOJ-UHFFFAOYSA-N -1 0 354.306 2.329 20 5 FEBDRM O=C([N-]S(=O)(=O)CC1CCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835249779 680311036 /nfs/dbraw/zinc/31/10/36/680311036.db2.gz VZCIGIIHIFLXSQ-UHFFFAOYSA-N -1 0 366.317 2.473 20 5 FEBDRM CCOC(=O)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])CC(C)C ZINC000753797671 680315668 /nfs/dbraw/zinc/31/56/68/680315668.db2.gz KJGHIZUIWVRQGQ-LLVKDONJSA-N -1 0 353.375 2.191 20 5 FEBDRM O=C([N-]S(=O)(=O)C1CCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835357550 680322821 /nfs/dbraw/zinc/32/28/21/680322821.db2.gz OSQZVQDXINEAMK-UHFFFAOYSA-N -1 0 352.290 2.226 20 5 FEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC000835559337 680349260 /nfs/dbraw/zinc/34/92/60/680349260.db2.gz MGONNQWOIBWMER-ABIUDSBCSA-N -1 0 352.412 2.162 20 5 FEBDRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000754680459 680370836 /nfs/dbraw/zinc/37/08/36/680370836.db2.gz GFZHFXWIAZULKC-PLNGDYQASA-N -1 0 361.807 2.238 20 5 FEBDRM O=C([N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000835748241 680378032 /nfs/dbraw/zinc/37/80/32/680378032.db2.gz YRIJXNYDNGQARD-BFVZDQMLSA-N -1 0 363.395 2.324 20 5 FEBDRM COc1c(C(=O)[N-]S(=O)(=O)CCC2CCCC2)cccc1[N+](=O)[O-] ZINC000835949559 680403552 /nfs/dbraw/zinc/40/35/52/680403552.db2.gz GMFOWJVZNCKKCZ-UHFFFAOYSA-N -1 0 356.400 2.243 20 5 FEBDRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1C ZINC000755909512 680444145 /nfs/dbraw/zinc/44/41/45/680444145.db2.gz GVFYFCPDQGVQAL-UHFFFAOYSA-N -1 0 356.331 2.371 20 5 FEBDRM CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837288143 680580822 /nfs/dbraw/zinc/58/08/22/680580822.db2.gz BJUVWXKGBWUDMF-ZETCQYMHSA-N -1 0 368.770 2.261 20 5 FEBDRM CCN([C@H](C)CC(=O)[O-])S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837288142 680580989 /nfs/dbraw/zinc/58/09/89/680580989.db2.gz BJUVWXKGBWUDMF-SSDOTTSWSA-N -1 0 368.770 2.261 20 5 FEBDRM C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837290407 680581942 /nfs/dbraw/zinc/58/19/42/680581942.db2.gz VFGCDRCCFIMCSW-SSDOTTSWSA-N -1 0 368.770 2.309 20 5 FEBDRM CC(C)N([C@H](C)C(=O)[O-])S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000837290203 680582069 /nfs/dbraw/zinc/58/20/69/680582069.db2.gz RFWLPSVIXPAAGK-SSDOTTSWSA-N -1 0 368.770 2.260 20 5 FEBDRM O=C(CC1CCCCC1)NCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837479312 680609321 /nfs/dbraw/zinc/60/93/21/680609321.db2.gz AKXBVPYYAPLEFH-UHFFFAOYSA-N -1 0 350.371 2.430 20 5 FEBDRM COC1CCC(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000759451843 680650118 /nfs/dbraw/zinc/65/01/18/680650118.db2.gz XYEJNPIVTBVKKB-UHFFFAOYSA-N -1 0 374.390 2.134 20 5 FEBDRM CC[C@H](C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(=O)[O-] ZINC000760121975 680677322 /nfs/dbraw/zinc/67/73/22/680677322.db2.gz ONBJIMRWKABUGL-MADCSZMMSA-N -1 0 364.807 2.334 20 5 FEBDRM CC1(C)CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)[O-] ZINC000766327956 680874111 /nfs/dbraw/zinc/87/41/11/680874111.db2.gz HZYMFEWBPGIQQT-AWEZNQCLSA-N -1 0 370.427 2.042 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000842402911 680944135 /nfs/dbraw/zinc/94/41/35/680944135.db2.gz ACRBADVCLXIKQP-NXEZZACHSA-N -1 0 366.317 2.048 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)C[C@@H](C)n2cccc2)cccc1[N+](=O)[O-] ZINC000842405139 680944618 /nfs/dbraw/zinc/94/46/18/680944618.db2.gz GRPBFFKAIDSGBG-GFCCVEGCSA-N -1 0 365.411 2.302 20 5 FEBDRM Cc1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000842405344 680944767 /nfs/dbraw/zinc/94/47/67/680944767.db2.gz IUAFENCUKCCYGQ-UHFFFAOYSA-N -1 0 369.424 2.236 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)CC[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000842405391 680944784 /nfs/dbraw/zinc/94/47/84/680944784.db2.gz KVRVDQAWMCXIQJ-CQSZACIVSA-N -1 0 370.427 2.199 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cnccc2-n2cccn2)cs1 ZINC000768859200 680961898 /nfs/dbraw/zinc/96/18/98/680961898.db2.gz TVVGOJNNJLQPEZ-UHFFFAOYSA-N -1 0 351.369 2.038 20 5 FEBDRM O=C(/C=C/C1CCCC1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000842737141 680963060 /nfs/dbraw/zinc/96/30/60/680963060.db2.gz STJZTTCBYSLLHD-JXMROGBWSA-N -1 0 352.412 2.330 20 5 FEBDRM CN1CCc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2C1=O ZINC000768890222 680963700 /nfs/dbraw/zinc/96/37/00/680963700.db2.gz TZNXHVQOYLDROU-UHFFFAOYSA-N -1 0 367.408 2.085 20 5 FEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842934580 680976270 /nfs/dbraw/zinc/97/62/70/680976270.db2.gz GSFXYWLZXIJDNA-NXEZZACHSA-N -1 0 355.778 2.372 20 5 FEBDRM O=C([O-])/C=C/c1ccc(NCCC2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000844213427 681044963 /nfs/dbraw/zinc/04/49/63/681044963.db2.gz XVWDXUUUQHBHCY-DUXPYHPUSA-N -1 0 368.411 2.319 20 5 FEBDRM CC(C)(CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])S(C)(=O)=O ZINC000844215247 681045131 /nfs/dbraw/zinc/04/51/31/681045131.db2.gz FQQYHDYFUONWKF-ALCCZGGFSA-N -1 0 356.400 2.318 20 5 FEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C1CCCC1 ZINC000845439567 681127848 /nfs/dbraw/zinc/12/78/48/681127848.db2.gz UCBLEIAHTQHQJD-GJZGRUSLSA-N -1 0 352.412 2.367 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]2(C)C(C)C)c([N+](=O)[O-])c1 ZINC000773942097 681161183 /nfs/dbraw/zinc/16/11/83/681161183.db2.gz ADEFUQFWKKMHCB-XHDPSFHLSA-N -1 0 356.400 2.091 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000773942851 681161226 /nfs/dbraw/zinc/16/12/26/681161226.db2.gz IAEUXJWTFTWLMC-NSHDSACASA-N -1 0 364.379 2.212 20 5 FEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ns1 ZINC000774028608 681165461 /nfs/dbraw/zinc/16/54/61/681165461.db2.gz TWTFVLNWUDROQA-UHFFFAOYSA-N -1 0 361.788 2.132 20 5 FEBDRM CCOc1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000774903815 681248651 /nfs/dbraw/zinc/24/86/51/681248651.db2.gz ZMLMZWGUGNYVMI-UHFFFAOYSA-N -1 0 364.276 2.219 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC000776556193 681404893 /nfs/dbraw/zinc/40/48/93/681404893.db2.gz YENOIDVYXYFICG-ZDUSSCGKSA-N -1 0 370.427 2.463 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000776564156 681406586 /nfs/dbraw/zinc/40/65/86/681406586.db2.gz MJHSOZCGOLSVSS-VIFPVBQESA-N -1 0 364.807 2.192 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)[O-])C1CCC1 ZINC000776618135 681418145 /nfs/dbraw/zinc/41/81/45/681418145.db2.gz ZUNLVAWVBCXFFB-LBPRGKRZSA-N -1 0 362.791 2.088 20 5 FEBDRM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000776668110 681424132 /nfs/dbraw/zinc/42/41/32/681424132.db2.gz GJZZMGILZIKLAI-VIFPVBQESA-N -1 0 364.807 2.430 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N(CC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000776684243 681426229 /nfs/dbraw/zinc/42/62/29/681426229.db2.gz PDIWYVNOINZQAH-UHFFFAOYSA-N -1 0 364.807 2.288 20 5 FEBDRM C[C@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000776701282 681428018 /nfs/dbraw/zinc/42/80/18/681428018.db2.gz OYFKPILAAVAGLK-SECBINFHSA-N -1 0 362.429 2.168 20 5 FEBDRM CC[C@@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776719003 681430069 /nfs/dbraw/zinc/43/00/69/681430069.db2.gz RTFMTSWWFBDDSR-PRHODGIISA-N -1 0 364.807 2.368 20 5 FEBDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1[N+](=O)[O-] ZINC000777670147 681520267 /nfs/dbraw/zinc/52/02/67/681520267.db2.gz LFTNRVOQRWBTHF-UHFFFAOYSA-N -1 0 366.355 2.277 20 5 FEBDRM C[C@H](C[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000848685056 681600862 /nfs/dbraw/zinc/60/08/62/681600862.db2.gz YRZWCFBOLPUYJJ-MNOVXSKESA-N -1 0 374.390 2.388 20 5 FEBDRM CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000780317807 681814189 /nfs/dbraw/zinc/81/41/89/681814189.db2.gz VMQRRVWDZAHFBT-GWCFXTLKSA-N -1 0 374.390 2.134 20 5 FEBDRM CCn1c(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1C ZINC000850888171 681974689 /nfs/dbraw/zinc/97/46/89/681974689.db2.gz HWAXCQIDAPEUHH-UHFFFAOYSA-N -1 0 369.374 2.291 20 5 FEBDRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000850888740 681975438 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O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182110613 547439295 /nfs/dbraw/zinc/43/92/95/547439295.db2.gz RKBUWKVYBCJMIU-CYBMUJFWSA-N -1 0 361.398 2.211 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CC2)nc(C)n1 ZINC000485437243 561319086 /nfs/dbraw/zinc/31/90/86/561319086.db2.gz XUYUEPJGTGCOKC-UHFFFAOYSA-N -1 0 364.383 2.380 20 5 FEBDRM C[S@](=O)Cc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000485729783 561326765 /nfs/dbraw/zinc/32/67/65/561326765.db2.gz HQOMLAUONJFQNN-VWLOTQADSA-N -1 0 362.363 2.424 20 5 FEBDRM CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000485865574 561330444 /nfs/dbraw/zinc/33/04/44/561330444.db2.gz QXQVNRYYCNMGMH-UHFFFAOYSA-N -1 0 369.330 2.199 20 5 FEBDRM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486479353 561348540 /nfs/dbraw/zinc/34/85/40/561348540.db2.gz VDRMCCIQXIBQOY-ZETCQYMHSA-N -1 0 367.159 2.344 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1-n1ccnn1 ZINC000194193431 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Cn1cc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000363310850 555075667 /nfs/dbraw/zinc/07/56/67/555075667.db2.gz NZNZSCYATQJNRT-UHFFFAOYSA-N -1 0 359.367 2.191 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCN(c2ncccc2F)CC1 ZINC000364770623 555398085 /nfs/dbraw/zinc/39/80/85/555398085.db2.gz NCBCAPXIDLFRRA-UHFFFAOYSA-N -1 0 360.345 2.187 20 5 FEBDRM CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@]2(CCCOC2)O1 ZINC000366527713 555868283 /nfs/dbraw/zinc/86/82/83/555868283.db2.gz YDGNWFLSFUBAPF-YVEFUNNKSA-N -1 0 350.371 2.101 20 5 FEBDRM O=C(NC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1)c1ccco1 ZINC000368483322 556322978 /nfs/dbraw/zinc/32/29/78/556322978.db2.gz OCWRIZMIBLFYEQ-GFCCVEGCSA-N -1 0 373.365 2.176 20 5 FEBDRM CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000368574951 556350118 /nfs/dbraw/zinc/35/01/18/556350118.db2.gz MFPQUDDWBSUTBC-CHWSQXEVSA-N -1 0 356.400 2.085 20 5 FEBDRM Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000368647279 556373343 /nfs/dbraw/zinc/37/33/43/556373343.db2.gz ZNNYRDIUBCTRHQ-ZDUSSCGKSA-N -1 0 361.354 2.337 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)cc1F ZINC000368654513 556375309 /nfs/dbraw/zinc/37/53/09/556375309.db2.gz ZQTWQCDILXLAEE-AWEZNQCLSA-N -1 0 368.342 2.351 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCC(C)(C)[C@H]2C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000516742356 562056101 /nfs/dbraw/zinc/05/61/01/562056101.db2.gz ZYGIAINCKSZKND-CYBMUJFWSA-N -1 0 356.400 2.085 20 5 FEBDRM O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000370578880 556912829 /nfs/dbraw/zinc/91/28/29/556912829.db2.gz DICXKDSEFXWLNQ-INIZCTEOSA-N -1 0 369.377 2.221 20 5 FEBDRM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1C ZINC000370907924 557011014 /nfs/dbraw/zinc/01/10/14/557011014.db2.gz UVENDCLIRWXDSB-UHFFFAOYSA-N -1 0 373.394 2.500 20 5 FEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](OCc3ccccn3)C2)n1 ZINC000518193058 562106192 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ZINC000392703926 558618546 /nfs/dbraw/zinc/61/85/46/558618546.db2.gz QMKCXRADJYLVEA-UHFFFAOYSA-N -1 0 366.351 2.411 20 5 FEBDRM NC(=O)Nc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000392666916 558618753 /nfs/dbraw/zinc/61/87/53/558618753.db2.gz FAXDEDSIVLFLOZ-UHFFFAOYSA-N -1 0 354.319 2.025 20 5 FEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000393237714 558620985 /nfs/dbraw/zinc/62/09/85/558620985.db2.gz SWKWEJKIDYFRIR-LBPRGKRZSA-N -1 0 362.363 2.280 20 5 FEBDRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000410413060 558756029 /nfs/dbraw/zinc/75/60/29/558756029.db2.gz HAOZPMRHBLVOOK-UHFFFAOYSA-N -1 0 361.383 2.240 20 5 FEBDRM O=c1[n-]c([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)n[nH]1 ZINC000413303178 559097212 /nfs/dbraw/zinc/09/72/12/559097212.db2.gz YFQKEICHPNWGMG-SSDOTTSWSA-N -1 0 358.280 2.216 20 5 FEBDRM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414390880 559160906 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ZINC000566316588 675203923 /nfs/dbraw/zinc/20/39/23/675203923.db2.gz FTCZCOSNWWROFN-UHFFFAOYSA-N -1 0 352.315 2.007 20 5 FEBDRM CCC(CC)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000818638235 675230358 /nfs/dbraw/zinc/23/03/58/675230358.db2.gz SSXXDJPNNLCQCZ-UHFFFAOYSA-N -1 0 371.777 2.194 20 5 FEBDRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000566975489 675257664 /nfs/dbraw/zinc/25/76/64/675257664.db2.gz CHFSLGOVCNXSAR-JQWIXIFHSA-N -1 0 354.384 2.246 20 5 FEBDRM Cn1nc2c(c1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])CCCC2 ZINC000567112837 675267752 /nfs/dbraw/zinc/26/77/52/675267752.db2.gz IQLRWXOBCLCKFK-UHFFFAOYSA-N -1 0 364.789 2.496 20 5 FEBDRM O=C(NC[C@H](CO)c1ccccc1Cl)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000567138358 675270231 /nfs/dbraw/zinc/27/02/31/675270231.db2.gz MMYJOFQIQIUHMI-LLVKDONJSA-N -1 0 350.758 2.460 20 5 FEBDRM CS[C@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000567798214 675324250 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O=C([O-])[C@@H]1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000238070843 548876691 /nfs/dbraw/zinc/87/66/91/548876691.db2.gz QHTHDSPWCILTRU-KRWDZBQOSA-N -1 0 350.374 2.230 20 5 FEBDRM O=C([O-])[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000238192740 548880683 /nfs/dbraw/zinc/88/06/83/548880683.db2.gz IOTDPOORDQJMON-GFCCVEGCSA-N -1 0 368.349 2.144 20 5 FEBDRM Cc1ccc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000261719829 549746723 /nfs/dbraw/zinc/74/67/23/549746723.db2.gz QMNSVXVVTVNMQX-KYOSRNDESA-N -1 0 368.411 2.310 20 5 FEBDRM Cc1nn(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1[N+](=O)[O-] ZINC000262111103 549789458 /nfs/dbraw/zinc/78/94/58/549789458.db2.gz IOLNBRPVASMBCC-UHFFFAOYSA-N -1 0 362.342 2.374 20 5 FEBDRM C[C@H](CCC(=O)[O-])NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262129784 549791087 /nfs/dbraw/zinc/79/10/87/549791087.db2.gz HJXILSYRTVQTTQ-ZCFIWIBFSA-N -1 0 363.139 2.480 20 5 FEBDRM COc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])cc1OC 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FEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(CN2CCCCC2=O)CC1 ZINC000280974483 551050951 /nfs/dbraw/zinc/05/09/51/551050951.db2.gz OUOBKORRSOZEKD-UHFFFAOYSA-N -1 0 361.398 2.165 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCCC[C@@]2(C)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000281712032 551134027 /nfs/dbraw/zinc/13/40/27/551134027.db2.gz HTYBWEFXHFWTMK-AWEZNQCLSA-N -1 0 360.363 2.060 20 5 FEBDRM CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000283358393 551353432 /nfs/dbraw/zinc/35/34/32/551353432.db2.gz BNULQQKBYZDSNW-UHFFFAOYSA-N -1 0 363.395 2.140 20 5 FEBDRM CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000285523818 551769675 /nfs/dbraw/zinc/76/96/75/551769675.db2.gz QSBKQOUUFMCXPR-LRDDRELGSA-N -1 0 360.370 2.338 20 5 FEBDRM CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000287585442 552021895 /nfs/dbraw/zinc/02/18/95/552021895.db2.gz QCCJKTDHRBPWJR-UWVGGRQHSA-N -1 0 362.791 2.122 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])c1 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CCn1cc([C@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000618919868 676356776 /nfs/dbraw/zinc/35/67/76/676356776.db2.gz XTYDNOOBWDNPGR-CQSZACIVSA-N -1 0 362.411 2.447 20 5 FEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000619466301 676377936 /nfs/dbraw/zinc/37/79/36/676377936.db2.gz KPCGQEXMXINEDW-UHFFFAOYSA-N -1 0 366.351 2.191 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000619471203 676378715 /nfs/dbraw/zinc/37/87/15/676378715.db2.gz JRVQPWXLSVAJAE-LLVKDONJSA-N -1 0 372.399 2.011 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000619507025 676382594 /nfs/dbraw/zinc/38/25/94/676382594.db2.gz SJANGUVIFLHKBB-UHFFFAOYSA-N -1 0 351.384 2.470 20 5 FEBDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000619543756 676384159 /nfs/dbraw/zinc/38/41/59/676384159.db2.gz WYNAEBLCNQOZRD-FZMZJTMJSA-N -1 0 353.375 2.095 20 5 FEBDRM CCO[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)C(C)C 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COc1ccc(C)cc1[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581239634 671876996 /nfs/dbraw/zinc/87/69/96/671876996.db2.gz IVZRLHDECMKWIP-NSHDSACASA-N -1 0 351.384 2.346 20 5 FEBDRM CCOC(=O)c1cc(C(=O)NCCC(C)(C)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000581607410 671917156 /nfs/dbraw/zinc/91/71/56/671917156.db2.gz AZEOIMUFZTXCTN-UHFFFAOYSA-N -1 0 352.343 2.002 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(Br)cn1 ZINC000120621965 671930556 /nfs/dbraw/zinc/93/05/56/671930556.db2.gz HGIDGHOJOXBEBN-UHFFFAOYSA-N -1 0 373.188 2.257 20 5 FEBDRM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000121108774 671942358 /nfs/dbraw/zinc/94/23/58/671942358.db2.gz BJPKPNKTJXGNQN-UHFFFAOYSA-N -1 0 367.358 2.250 20 5 FEBDRM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[N-]S(=O)(=O)C1CCCCC1 ZINC000121174988 671944072 /nfs/dbraw/zinc/94/40/72/671944072.db2.gz JMZMECPGVAHVNH-UHFFFAOYSA-N -1 0 365.411 2.397 20 5 FEBDRM CC1(C)[C@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000610266059 675963004 /nfs/dbraw/zinc/96/30/04/675963004.db2.gz LAHSOBATKRSWAS-FZQKWOKYSA-N -1 0 358.391 2.216 20 5 FEBDRM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000126185916 672021308 /nfs/dbraw/zinc/02/13/08/672021308.db2.gz JYEQOIIAQZVGGO-UHFFFAOYSA-N -1 0 367.358 2.250 20 5 FEBDRM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128771472 672052599 /nfs/dbraw/zinc/05/25/99/672052599.db2.gz ODVZBMUPTBARKM-UHFFFAOYSA-N -1 0 367.774 2.400 20 5 FEBDRM Cc1cc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc([N+](=O)[O-])c1F ZINC000132451918 672098130 /nfs/dbraw/zinc/09/81/30/672098130.db2.gz DXKIXNOJBKGWEY-UHFFFAOYSA-N -1 0 364.305 2.305 20 5 FEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1[N+](=O)[O-] ZINC000133215894 672107741 /nfs/dbraw/zinc/10/77/41/672107741.db2.gz IXMHXXFXJNFWNS-UHFFFAOYSA-N -1 0 366.399 2.053 20 5 FEBDRM O=C([O-])CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000584326658 672177213 /nfs/dbraw/zinc/17/72/13/672177213.db2.gz IQUUBNARUROAOC-UHFFFAOYSA-N -1 0 356.400 2.144 20 5 FEBDRM CC(C)[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000584354112 672179622 /nfs/dbraw/zinc/17/96/22/672179622.db2.gz BZBUYYFAXARDHU-NSHDSACASA-N -1 0 356.400 2.350 20 5 FEBDRM O=C([O-])c1cccc(S(=O)(=O)N2CCCC[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000584621967 672203450 /nfs/dbraw/zinc/20/34/50/672203450.db2.gz FAKCMTXWJNHWOF-VIFPVBQESA-N -1 0 364.326 2.101 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)ccc1[N+](=O)[O-] ZINC000584821421 672218891 /nfs/dbraw/zinc/21/88/91/672218891.db2.gz ILLVXNKHIHYEPP-UHFFFAOYSA-N -1 0 365.323 2.251 20 5 FEBDRM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000178196888 672389830 /nfs/dbraw/zinc/38/98/30/672389830.db2.gz RWMRJEUMGZUWPG-UHFFFAOYSA-N -1 0 367.358 2.363 20 5 FEBDRM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000179216146 672399922 /nfs/dbraw/zinc/39/99/22/672399922.db2.gz PTWAXCHMJQXVJK-VIFPVBQESA-N -1 0 367.383 2.198 20 5 FEBDRM CCS(=O)(=O)c1cccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000586819975 672436722 /nfs/dbraw/zinc/43/67/22/672436722.db2.gz CITFSRSGGFKTOD-UHFFFAOYSA-N -1 0 364.379 2.024 20 5 FEBDRM O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588788960 672481593 /nfs/dbraw/zinc/48/15/93/672481593.db2.gz TWBDSCNXCFKRHB-GFCCVEGCSA-N -1 0 350.758 2.460 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000589556098 672531516 /nfs/dbraw/zinc/53/15/16/672531516.db2.gz ZYFFOBDGXKFQFS-UHFFFAOYSA-N -1 0 365.323 2.251 20 5 FEBDRM O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590401340 672578722 /nfs/dbraw/zinc/57/87/22/672578722.db2.gz BPNQLJIMMZZSIX-JTQLQIEISA-N -1 0 361.320 2.305 20 5 FEBDRM COc1ccc2c([O-])nn(S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2c1 ZINC000590597644 672594874 /nfs/dbraw/zinc/59/48/74/672594874.db2.gz PGBUMXXLFZRWSF-UHFFFAOYSA-N -1 0 363.351 2.204 20 5 FEBDRM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000590597697 672594995 /nfs/dbraw/zinc/59/49/95/672594995.db2.gz RIRTYOSMWSDQML-SNVBAGLBSA-N -1 0 362.363 2.433 20 5 FEBDRM COc1ccc2c([O-])nn(S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2c1 ZINC000590597528 672595046 /nfs/dbraw/zinc/59/50/46/672595046.db2.gz BAIHSSSORYDIGI-UHFFFAOYSA-N -1 0 363.351 2.204 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)cc1[N+](=O)[O-] ZINC000591243805 672661175 /nfs/dbraw/zinc/66/11/75/672661175.db2.gz VTUZYWXOEYURPL-ZDUSSCGKSA-N -1 0 370.427 2.477 20 5 FEBDRM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592135904 672762876 /nfs/dbraw/zinc/76/28/76/672762876.db2.gz UCKNELRHZOOMGI-GXFFZTMASA-N -1 0 356.400 2.492 20 5 FEBDRM CCc1ccc(S(=O)(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000592155490 672765026 /nfs/dbraw/zinc/76/50/26/672765026.db2.gz YLUNMIKPULCWBU-GFCCVEGCSA-N -1 0 370.427 2.423 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000592155477 672765176 /nfs/dbraw/zinc/76/51/76/672765176.db2.gz YADCEHBNZRERDI-LBPRGKRZSA-N -1 0 356.400 2.175 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)s1 ZINC000592384643 672795793 /nfs/dbraw/zinc/79/57/93/672795793.db2.gz KNOQWUHMWPFNAW-UHFFFAOYSA-N -1 0 354.413 2.452 20 5 FEBDRM O=C(/C=C\c1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000255074803 672883479 /nfs/dbraw/zinc/88/34/79/672883479.db2.gz IKRYLKJRWHLQPA-SREVYHEPSA-N -1 0 356.743 2.360 20 5 FEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000255279280 672887308 /nfs/dbraw/zinc/88/73/08/672887308.db2.gz LBJCQXATSUINSI-CLTKARDFSA-N -1 0 367.770 2.162 20 5 FEBDRM O=[N+]([O-])c1ccc([O-])cc1CS(=O)(=O)Cc1nnc(C2CC2)s1 ZINC000593205024 672891176 /nfs/dbraw/zinc/89/11/76/672891176.db2.gz GGYKHTIKPKKEBM-UHFFFAOYSA-N -1 0 355.397 2.144 20 5 FEBDRM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000593310974 672907333 /nfs/dbraw/zinc/90/73/33/672907333.db2.gz OKZPEMBHAVNYPJ-LLVKDONJSA-N -1 0 354.384 2.104 20 5 FEBDRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262263961 672912142 /nfs/dbraw/zinc/91/21/42/672912142.db2.gz RRMYFKVYOKSQGV-CDMKHQONSA-N -1 0 372.374 2.140 20 5 FEBDRM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000612438366 676082236 /nfs/dbraw/zinc/08/22/36/676082236.db2.gz CGJAMPILNJYRBA-LBPRGKRZSA-N -1 0 350.371 2.496 20 5 FEBDRM COC1(C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])CCC1 ZINC000593700354 672980773 /nfs/dbraw/zinc/98/07/73/672980773.db2.gz SXUVDPATNAHFHX-LLVKDONJSA-N -1 0 356.762 2.390 20 5 FEBDRM COc1cc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)c([N+](=O)[O-])cc1O ZINC000593948251 673014419 /nfs/dbraw/zinc/01/44/19/673014419.db2.gz GSDFOPXZJHYGJG-ZETCQYMHSA-N -1 0 353.356 2.315 20 5 FEBDRM CC(C)(C)C(=O)N1CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000593947348 673014539 /nfs/dbraw/zinc/01/45/39/673014539.db2.gz IKWKCKJLEPAOEF-UHFFFAOYSA-N -1 0 350.375 2.137 20 5 FEBDRM C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594462014 673076291 /nfs/dbraw/zinc/07/62/91/673076291.db2.gz MFGZEBMMFHOAGS-SDDRHHMPSA-N -1 0 350.371 2.225 20 5 FEBDRM CC(C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000594467880 673078435 /nfs/dbraw/zinc/07/84/35/673078435.db2.gz OFVOFGUHKHSROO-NSHDSACASA-N -1 0 358.778 2.490 20 5 FEBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594485309 673088982 /nfs/dbraw/zinc/08/89/82/673088982.db2.gz ZSOHODIRYQIUJG-OLZOCXBDSA-N -1 0 357.407 2.029 20 5 FEBDRM O=C([O-])[C@@H]1N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC12CCCC2 ZINC000594673277 673111891 /nfs/dbraw/zinc/11/18/91/673111891.db2.gz HBBYMRMNZVYAPG-LBPRGKRZSA-N -1 0 374.802 2.266 20 5 FEBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(CCCC2)[C@H]1C(=O)[O-] ZINC000594675556 673112878 /nfs/dbraw/zinc/11/28/78/673112878.db2.gz UHQVGXKJYJECTL-CQSZACIVSA-N -1 0 368.411 2.175 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594719538 673122599 /nfs/dbraw/zinc/12/25/99/673122599.db2.gz KNUJWWSDOHDSOE-SNVBAGLBSA-N -1 0 360.363 2.053 20 5 FEBDRM Cc1ccc(NCCCNS(=O)(=O)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000594760176 673132336 /nfs/dbraw/zinc/13/23/36/673132336.db2.gz RHCDGPZWJYQKNC-UHFFFAOYSA-N -1 0 365.411 2.389 20 5 FEBDRM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594785305 673141547 /nfs/dbraw/zinc/14/15/47/673141547.db2.gz HEXUPCSLPUTFSK-GFCCVEGCSA-N -1 0 350.400 2.075 20 5 FEBDRM COC(=O)[C@@]1(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H](C)CC1 ZINC000594836741 673157391 /nfs/dbraw/zinc/15/73/91/673157391.db2.gz KVZYKXZQIJMURX-YGUOUDRMSA-N -1 0 370.427 2.136 20 5 FEBDRM O=C([N-]S(=O)(=O)c1cccc2ncccc21)c1ccccc1[N+](=O)[O-] ZINC000729203662 673228070 /nfs/dbraw/zinc/22/80/70/673228070.db2.gz NQWUIDUERZUNCQ-UHFFFAOYSA-N -1 0 357.347 2.262 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000731547207 673333659 /nfs/dbraw/zinc/33/36/59/673333659.db2.gz SXEAZFPBJPSQMG-UHFFFAOYSA-N -1 0 352.343 2.469 20 5 FEBDRM O=C([O-])[C@]12COC[C@H]1CN(c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)C2 ZINC000595974056 673345154 /nfs/dbraw/zinc/34/51/54/673345154.db2.gz USVVZPTWHWKGSX-BDJLRTHQSA-N -1 0 361.379 2.256 20 5 FEBDRM C[C@@H](Oc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000732621847 673375287 /nfs/dbraw/zinc/37/52/87/673375287.db2.gz CPSHPOHGAWBIHY-MRVPVSSYSA-N -1 0 374.371 2.068 20 5 FEBDRM C[C@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000733053202 673395285 /nfs/dbraw/zinc/39/52/85/673395285.db2.gz YBRJAGNFUNIURB-GWCFXTLKSA-N -1 0 374.390 2.134 20 5 FEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000597160662 673452333 /nfs/dbraw/zinc/45/23/33/673452333.db2.gz DJKQGQBRAYGNMC-QMTHXVAHSA-N -1 0 368.411 2.071 20 5 FEBDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000734735455 673471053 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371.444 2.200 20 5 FEBDRM O=C([O-])c1cnc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)s1 ZINC000600874594 673804992 /nfs/dbraw/zinc/80/49/92/673804992.db2.gz LKVWZZQAFRNWBB-UHFFFAOYSA-N -1 0 350.356 2.097 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000745964644 673858849 /nfs/dbraw/zinc/85/88/49/673858849.db2.gz LKJWSOSSVGUSEB-UHFFFAOYSA-N -1 0 352.343 2.090 20 5 FEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000746444779 673878619 /nfs/dbraw/zinc/87/86/19/673878619.db2.gz JPHIWTIZMFQPGS-UHFFFAOYSA-N -1 0 356.400 2.243 20 5 FEBDRM COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c(C)c1 ZINC000547870878 673894928 /nfs/dbraw/zinc/89/49/28/673894928.db2.gz WKMNZTTVVQBUQW-UHFFFAOYSA-N -1 0 366.351 2.411 20 5 FEBDRM COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cc1C ZINC000547890597 673898321 /nfs/dbraw/zinc/89/83/21/673898321.db2.gz OPBJUBSWZDXKQF-UHFFFAOYSA-N -1 0 366.351 2.411 20 5 FEBDRM 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/nfs/dbraw/zinc/32/55/26/326325526.db2.gz CKPMTMFZEUDEML-UHFFFAOYSA-N -1 0 363.414 2.457 20 5 FEBDRM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000125224005 326467656 /nfs/dbraw/zinc/46/76/56/326467656.db2.gz TWNMIEFZGQODKP-UHFFFAOYSA-N -1 0 369.786 2.456 20 5 FEBDRM Cc1ccc(OCC[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000128575929 326526262 /nfs/dbraw/zinc/52/62/62/326526262.db2.gz MQSOCOAHIZFDCA-UHFFFAOYSA-N -1 0 354.359 2.400 20 5 FEBDRM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000173351442 327251466 /nfs/dbraw/zinc/25/14/66/327251466.db2.gz NYRPTQDKNYCILU-JTQLQIEISA-N -1 0 360.413 2.478 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000174911711 327360682 /nfs/dbraw/zinc/36/06/82/327360682.db2.gz RRRQGTPJKVUJAG-UHFFFAOYSA-N -1 0 354.388 2.257 20 5 FEBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1C(N)=O ZINC000175019047 327368595 /nfs/dbraw/zinc/36/85/95/327368595.db2.gz VHSKTPQGVBRVOR-UHFFFAOYSA-N -1 0 363.395 2.420 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368.367 2.187 20 5 FEBDRM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000370353073 556848601 /nfs/dbraw/zinc/84/86/01/556848601.db2.gz IVCGGEKZDIUOJG-LLVKDONJSA-N -1 0 362.367 2.000 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000517235940 562081654 /nfs/dbraw/zinc/08/16/54/562081654.db2.gz BBWASVZYAKQUST-JQWIXIFHSA-N -1 0 366.370 2.185 20 5 FEBDRM Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000517727187 562096487 /nfs/dbraw/zinc/09/64/87/562096487.db2.gz SJLKQFHFWROIET-HUBLWGQQSA-N -1 0 368.411 2.085 20 5 FEBDRM O=C1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(F)c3)cccc21 ZINC000371598777 557234644 /nfs/dbraw/zinc/23/46/44/557234644.db2.gz UIJIKAMOHHQQSO-UHFFFAOYSA-N -1 0 366.326 2.500 20 5 FEBDRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000519680506 562139581 /nfs/dbraw/zinc/13/95/81/562139581.db2.gz ABFUVQLOZPRUGQ-OAHLLOKOSA-N -1 0 359.338 2.253 20 5 FEBDRM CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000373317951 557671452 /nfs/dbraw/zinc/67/14/52/557671452.db2.gz ORGVWZGNZULGNR-UHFFFAOYSA-N -1 0 365.386 2.383 20 5 FEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(-c3ncccc3F)n2)c1 ZINC000374242050 557849261 /nfs/dbraw/zinc/84/92/61/557849261.db2.gz SFUOCWISVOTASJ-UHFFFAOYSA-N -1 0 363.330 2.115 20 5 FEBDRM Cn1nc(-c2ccccc2)nc1CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376106609 558128006 /nfs/dbraw/zinc/12/80/06/558128006.db2.gz KLZYVNNHJDYKGB-UHFFFAOYSA-N -1 0 367.365 2.068 20 5 FEBDRM O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000376263936 558149463 /nfs/dbraw/zinc/14/94/63/558149463.db2.gz FBFBVIYUDGSPOK-RISCZKNCSA-N -1 0 374.353 2.211 20 5 FEBDRM Cc1c(C(=O)Nc2nncn2-c2cccnc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377164509 558279902 /nfs/dbraw/zinc/27/99/02/558279902.db2.gz WXWOTZJRKGWBOR-UHFFFAOYSA-N -1 0 369.297 2.039 20 5 FEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000377458538 558344734 /nfs/dbraw/zinc/34/47/34/558344734.db2.gz MBYVUZUQSBPQRM-FZZIBODNSA-N -1 0 363.326 2.361 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC(=O)N3)cc1[N+](=O)[O-] ZINC000378016687 558463911 /nfs/dbraw/zinc/46/39/11/558463911.db2.gz IZNAJLNNNPGZAO-UHFFFAOYSA-N -1 0 363.351 2.035 20 5 FEBDRM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000378568982 558585342 /nfs/dbraw/zinc/58/53/42/558585342.db2.gz FZAIMDKMOKCZRI-LBPRGKRZSA-N -1 0 373.369 2.002 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](CC(C)(C)C)C(=O)[O-] ZINC000387606959 558608327 /nfs/dbraw/zinc/60/83/27/558608327.db2.gz XMVKXSCBEQMXDE-GFCCVEGCSA-N -1 0 358.416 2.413 20 5 FEBDRM O=C([O-])c1c(F)cccc1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000392226855 558616340 /nfs/dbraw/zinc/61/63/40/558616340.db2.gz XQUGXZSOQGAUMH-UHFFFAOYSA-N -1 0 354.315 2.374 20 5 FEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000392377318 558617461 /nfs/dbraw/zinc/61/74/61/558617461.db2.gz KKWQSWIPQNOGKN-UHFFFAOYSA-N -1 0 354.340 2.118 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1C ZINC000392973031 558619875 /nfs/dbraw/zinc/61/98/75/558619875.db2.gz QFCYUEARULDVGL-LNSITVRQSA-N -1 0 368.411 2.085 20 5 FEBDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000392953262 558620054 /nfs/dbraw/zinc/62/00/54/558620054.db2.gz DZSXUZYWXVQLNZ-UHFFFAOYSA-N -1 0 364.379 2.388 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000410419729 558756431 /nfs/dbraw/zinc/75/64/31/558756431.db2.gz QFLVYENRZYKWOH-UHFFFAOYSA-N -1 0 361.379 2.441 20 5 FEBDRM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000416445256 559313383 /nfs/dbraw/zinc/31/33/83/559313383.db2.gz KPECWOWCWWVQGQ-OLZOCXBDSA-N -1 0 355.778 2.370 20 5 FEBDRM 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ZINC000427596873 559758390 /nfs/dbraw/zinc/75/83/90/559758390.db2.gz OJVVGLMHUUEWPS-UHFFFAOYSA-N -1 0 350.385 2.065 20 5 FEBDRM COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1C1CC1 ZINC000436626332 559947000 /nfs/dbraw/zinc/94/70/00/559947000.db2.gz HFFMKDICBJOAIJ-UHFFFAOYSA-N -1 0 371.349 2.289 20 5 FEBDRM COC(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1OC ZINC000436628253 559947084 /nfs/dbraw/zinc/94/70/84/559947084.db2.gz PGYNXTXBQHYTGZ-UHFFFAOYSA-N -1 0 360.322 2.026 20 5 FEBDRM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436635972 559947389 /nfs/dbraw/zinc/94/73/89/559947389.db2.gz NYABRWVPYPMILH-UHFFFAOYSA-N -1 0 359.338 2.263 20 5 FEBDRM CN(C)C(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436672615 559948332 /nfs/dbraw/zinc/94/83/32/559948332.db2.gz FPIZYAFMNHQKHI-UHFFFAOYSA-N -1 0 359.338 2.020 20 5 FEBDRM COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc(C(=O)OC)c1 ZINC000436672172 559948444 /nfs/dbraw/zinc/94/84/44/559948444.db2.gz 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COC(=O)COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436923061 559956653 /nfs/dbraw/zinc/95/66/53/559956653.db2.gz ALNQUVGMVIJWAZ-UHFFFAOYSA-N -1 0 374.349 2.124 20 5 FEBDRM COC(=O)COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436928263 559956667 /nfs/dbraw/zinc/95/66/67/559956667.db2.gz VLUBGIXLWAMQPR-UHFFFAOYSA-N -1 0 374.349 2.124 20 5 FEBDRM O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436933121 559956890 /nfs/dbraw/zinc/95/68/90/559956890.db2.gz FZQJMSKWETXIRF-UHFFFAOYSA-N -1 0 363.414 2.065 20 5 FEBDRM COC(=O)COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436938119 559957047 /nfs/dbraw/zinc/95/70/47/559957047.db2.gz KFSGVMSUPIVJFT-NSHDSACASA-N -1 0 374.349 2.343 20 5 FEBDRM COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(F)c(C)c1 ZINC000436939844 559957138 /nfs/dbraw/zinc/95/71/38/559957138.db2.gz RPWGCGKASAVMSX-HNNXBMFYSA-N -1 0 362.313 2.392 20 5 FEBDRM COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])Cc1cccc(C)c1 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C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2nccn21 ZINC000451949086 560340217 /nfs/dbraw/zinc/34/02/17/560340217.db2.gz WMCQBCVCTBBSDU-PSASIEDQSA-N -1 0 356.791 2.429 20 5 FEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452483077 560365951 /nfs/dbraw/zinc/36/59/51/560365951.db2.gz NQNCRXPPRGFGDU-QAPCUYQASA-N -1 0 360.341 2.241 20 5 FEBDRM CO[C@@H](C)c1nc(=NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000455442460 560482494 /nfs/dbraw/zinc/48/24/94/560482494.db2.gz BZTCDGWKKTZJBM-IUCAKERBSA-N -1 0 351.388 2.458 20 5 FEBDRM COC(=O)[C@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000456975340 560541656 /nfs/dbraw/zinc/54/16/56/560541656.db2.gz HMHFOMJZBGRKMV-CABCVRRESA-N -1 0 370.361 2.329 20 5 FEBDRM CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000457119101 560550751 /nfs/dbraw/zinc/55/07/51/560550751.db2.gz WHMALDLMSREMQH-UHFFFAOYSA-N -1 0 365.367 2.139 20 5 FEBDRM 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673516713 /nfs/dbraw/zinc/51/67/13/673516713.db2.gz BIASSKGNBFBMKG-GFCCVEGCSA-N -1 0 353.400 2.331 20 5 FEBDRM CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000597947270 673522717 /nfs/dbraw/zinc/52/27/17/673522717.db2.gz FOWWZYIFBQKKBW-XWIASGKRSA-N -1 0 372.805 2.250 20 5 FEBDRM CC(C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@]1(O)CCCOC1 ZINC000598389849 673565160 /nfs/dbraw/zinc/56/51/60/673565160.db2.gz UACOEQSSVBAETQ-INIZCTEOSA-N -1 0 372.805 2.251 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598583852 673586248 /nfs/dbraw/zinc/58/62/48/673586248.db2.gz FPVDDFFQUMHEMZ-DOMZBBRYSA-N -1 0 356.400 2.133 20 5 FEBDRM Cc1oc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1C(=O)[O-] ZINC000598583559 673586334 /nfs/dbraw/zinc/58/63/34/673586334.db2.gz AOFCJNOFDQOPQA-UHFFFAOYSA-N -1 0 368.367 2.290 20 5 FEBDRM CCC[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[C@H]1C(=O)[O-] ZINC000598584720 673586518 /nfs/dbraw/zinc/58/65/18/673586518.db2.gz SYQJMCRQIKJRGA-IUODEOHRSA-N -1 0 370.427 2.476 20 5 FEBDRM COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598711984 673601894 /nfs/dbraw/zinc/60/18/94/673601894.db2.gz IAPJJRDHAWNZFM-LLVKDONJSA-N -1 0 368.415 2.416 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC000739137462 673628700 /nfs/dbraw/zinc/62/87/00/673628700.db2.gz CQCDXHQBBFVVIA-VIFPVBQESA-N -1 0 370.408 2.274 20 5 FEBDRM C[C@@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599222456 673643346 /nfs/dbraw/zinc/64/33/46/673643346.db2.gz ZJMFMUKDSKVECU-LBPRGKRZSA-N -1 0 366.443 2.363 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)n1 ZINC000599229972 673644852 /nfs/dbraw/zinc/64/48/52/673644852.db2.gz KTSUNDZZTXWFOV-AWEZNQCLSA-N -1 0 350.400 2.148 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000599237726 673646200 /nfs/dbraw/zinc/64/62/00/673646200.db2.gz KFBFGXNZGGBFBJ-UONOGXRCSA-N -1 0 364.427 2.018 20 5 FEBDRM CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000599245104 673647872 /nfs/dbraw/zinc/64/78/72/673647872.db2.gz PYGOKBFQTUNKMX-CQSZACIVSA-N -1 0 366.443 2.363 20 5 FEBDRM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000599248753 673648297 /nfs/dbraw/zinc/64/82/97/673648297.db2.gz NYGKWEJFPKEOGJ-ZETCQYMHSA-N -1 0 362.770 2.160 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCCC2)n1 ZINC000599339101 673660982 /nfs/dbraw/zinc/66/09/82/673660982.db2.gz GFILLIGOBDONGU-CQSZACIVSA-N -1 0 356.448 2.356 20 5 FEBDRM Cc1sc(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000614343591 676170248 /nfs/dbraw/zinc/17/02/48/676170248.db2.gz KHGHBSIFKHAYQU-UHFFFAOYSA-N -1 0 356.381 2.141 20 5 FEBDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1C(N)=O ZINC000742028785 673704442 /nfs/dbraw/zinc/70/44/42/673704442.db2.gz HGPANNIMVYFQGR-UHFFFAOYSA-N -1 0 367.358 2.250 20 5 FEBDRM Cc1cc(S(=O)(=O)N2CCC[C@@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000614376924 676172195 /nfs/dbraw/zinc/17/21/95/676172195.db2.gz OGIHLUBCJOWDKE-LBPRGKRZSA-N -1 0 356.400 2.169 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)c1 ZINC000544639312 673722377 /nfs/dbraw/zinc/72/23/77/673722377.db2.gz BSDSHVSUNXJVJE-UHFFFAOYSA-N -1 0 363.395 2.420 20 5 FEBDRM Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000744151783 673784376 /nfs/dbraw/zinc/78/43/76/673784376.db2.gz LGRKNOZXNKPUGR-LLVKDONJSA-N -1 0 352.368 2.413 20 5 FEBDRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000744210034 673787203 /nfs/dbraw/zinc/78/72/03/673787203.db2.gz VIHKLSPWPYATGW-UHFFFAOYSA-N -1 0 370.770 2.376 20 5 FEBDRM O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H]1CC=CCC1 ZINC000600665297 673789021 /nfs/dbraw/zinc/78/90/21/673789021.db2.gz FYZOWCFNWIEOAF-LLVKDONJSA-N -1 0 354.384 2.318 20 5 FEBDRM C[C@](NS(=O)(=O)CC1CCCCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600666427 673789192 /nfs/dbraw/zinc/78/91/92/673789192.db2.gz SNBOKYNFIVLSSN-MRXNPFEDSA-N -1 0 370.427 2.394 20 5 FEBDRM CCC[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1)OCC ZINC000600665437 673789243 /nfs/dbraw/zinc/78/92/43/673789243.db2.gz RAZVLFBWPOJUHE-LLVKDONJSA-N -1 0 374.415 2.085 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000744295421 673791541 /nfs/dbraw/zinc/79/15/41/673791541.db2.gz OCBGFVKQKYKZEG-UHFFFAOYSA-N -1 0 364.379 2.042 20 5 FEBDRM O=C([O-])[C@@H]1CSCCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000600869579 673804364 /nfs/dbraw/zinc/80/43/64/673804364.db2.gz OBQLLWHZNPCRCU-LBPRGKRZSA-N -1 0 364.423 2.293 20 5 FEBDRM CO[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000600883601 673805552 /nfs/dbraw/zinc/80/55/52/673805552.db2.gz ZEAMYIVTWMWIPY-YOEHRIQHSA-N -1 0 350.371 2.216 20 5 FEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC1CCCC1)C(=O)[O-] ZINC000547896253 673899458 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O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000567107835 675267132 /nfs/dbraw/zinc/26/71/32/675267132.db2.gz UJGURQCOLBOSGA-MFKMUULPSA-N -1 0 354.384 2.246 20 5 FEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)C(F)=C2CCC2)cc1[N+](=O)[O-] ZINC000820110954 675336829 /nfs/dbraw/zinc/33/68/29/675336829.db2.gz LPHKQRIBALKTQQ-UHFFFAOYSA-N -1 0 363.754 2.043 20 5 FEBDRM Cc1ccc(CNC(=O)CSc2n[n-]c(=S)s2)cc1[N+](=O)[O-] ZINC000825647435 675662445 /nfs/dbraw/zinc/66/24/45/675662445.db2.gz DOGNMAWCANIUDN-UHFFFAOYSA-N -1 0 356.454 2.452 20 5 FEBDRM C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604033453 675802888 /nfs/dbraw/zinc/80/28/88/675802888.db2.gz ZAMVMOQZDAUIRL-ABAIWWIYSA-N -1 0 358.416 2.174 20 5 FEBDRM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccnn1C ZINC000615944239 676234450 /nfs/dbraw/zinc/23/44/50/676234450.db2.gz SBAKLBUEMBZZFK-LLVKDONJSA-N -1 0 370.406 2.186 20 5 FEBDRM CCn1cc([C@@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000618919867 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352.240 2.268 20 5 FEBDRM C[C@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000838781468 680719087 /nfs/dbraw/zinc/71/90/87/680719087.db2.gz KDDOYOXVNHETBS-MRVPVSSYSA-N -1 0 354.306 2.129 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](CC(=O)[O-])C1 ZINC000761403292 680722166 /nfs/dbraw/zinc/72/21/66/680722166.db2.gz CINYHJCCJRROTG-VIFPVBQESA-N -1 0 362.791 2.042 20 5 FEBDRM C[C@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000838851708 680722475 /nfs/dbraw/zinc/72/24/75/680722475.db2.gz LXMSNSKJTUQPEE-ZCFIWIBFSA-N -1 0 358.269 2.127 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000761422591 680722904 /nfs/dbraw/zinc/72/29/04/680722904.db2.gz PSDBPIKAUMEALJ-MNOVXSKESA-N -1 0 356.400 2.235 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccsc2)ccc1[N+](=O)[O-] ZINC000761421722 680722905 /nfs/dbraw/zinc/72/29/05/680722905.db2.gz XQULUCXGZNPKQD-GORDUTHDSA-N -1 0 368.392 2.183 20 5 FEBDRM 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0 370.427 2.481 20 5 FEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000835183318 680304576 /nfs/dbraw/zinc/30/45/76/680304576.db2.gz RYFHSGDRXHMWDR-VGMNWLOBSA-N -1 0 373.818 2.072 20 5 FEBDRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000835223638 680308035 /nfs/dbraw/zinc/30/80/35/680308035.db2.gz JEGMDOPRSHLVEL-NSHDSACASA-N -1 0 358.416 2.481 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000835223739 680308132 /nfs/dbraw/zinc/30/81/32/680308132.db2.gz KKZRSUUBKIUZTD-IJLUTSLNSA-N -1 0 370.427 2.481 20 5 FEBDRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000835296543 680315836 /nfs/dbraw/zinc/31/58/36/680315836.db2.gz SLRFPQBIUKQXJF-SSDOTTSWSA-N -1 0 354.306 2.472 20 5 FEBDRM C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000753803296 680316111 /nfs/dbraw/zinc/31/61/11/680316111.db2.gz GTSFENHIEBNQTC-SBMLRHLQSA-N -1 0 369.355 2.054 20 5 FEBDRM CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC000753990156 680328991 /nfs/dbraw/zinc/32/89/91/680328991.db2.gz PLVXTWCKRAZBHP-UHFFFAOYSA-N -1 0 353.375 2.287 20 5 FEBDRM CC(C)(CCC(=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000835597336 680358545 /nfs/dbraw/zinc/35/85/45/680358545.db2.gz SJQZVAXCKSCNHI-CQSZACIVSA-N -1 0 354.428 2.346 20 5 FEBDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)C1CC1 ZINC000754671681 680370093 /nfs/dbraw/zinc/37/00/93/680370093.db2.gz FUPQMHYUOBDQLI-ZETCQYMHSA-N -1 0 361.807 2.072 20 5 FEBDRM Cc1c(CC(=O)[N-]S(=O)(=O)CCC2CCCC2)cccc1[N+](=O)[O-] ZINC000835949240 680403585 /nfs/dbraw/zinc/40/35/85/680403585.db2.gz CBQLQVDDQCAVMJ-UHFFFAOYSA-N -1 0 354.428 2.472 20 5 FEBDRM CC(=O)CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000755851818 680439902 /nfs/dbraw/zinc/43/99/02/680439902.db2.gz MNRPELGBHVOHDO-UHFFFAOYSA-N -1 0 356.400 2.104 20 5 FEBDRM CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] 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O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]S(=O)(=O)c1ccsc1 ZINC000766442933 680877106 /nfs/dbraw/zinc/87/71/06/680877106.db2.gz DQDPFKBLRYNHNZ-UHFFFAOYSA-N -1 0 365.392 2.116 20 5 FEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000766673673 680884560 /nfs/dbraw/zinc/88/45/60/680884560.db2.gz LOCQVVOCRJCBQK-UHFFFAOYSA-N -1 0 369.321 2.039 20 5 FEBDRM COCCN(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000766991127 680896001 /nfs/dbraw/zinc/89/60/01/680896001.db2.gz YXZPVTZBULLLPY-NSHDSACASA-N -1 0 356.400 2.025 20 5 FEBDRM CC(C)[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000841773984 680911161 /nfs/dbraw/zinc/91/11/61/680911161.db2.gz AAMWWJUZBGXIHD-VIFPVBQESA-N -1 0 371.198 2.289 20 5 FEBDRM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841776037 680911415 /nfs/dbraw/zinc/91/14/15/680911415.db2.gz DOVWEMAXPFQFBO-MRVPVSSYSA-N -1 0 369.182 2.139 20 5 FEBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912490243 685384353 /nfs/dbraw/zinc/38/43/53/685384353.db2.gz AZUKCVLZITZEPO-LLVKDONJSA-N -1 0 361.320 2.399 20 5 FEBDRM CCCCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000842279639 680936386 /nfs/dbraw/zinc/93/63/86/680936386.db2.gz VTAIAISCDIDEAG-GFCCVEGCSA-N -1 0 358.416 2.385 20 5 FEBDRM Cc1c(CS(=O)(=O)[N-]C(=O)COC2CCCCC2)cccc1[N+](=O)[O-] ZINC000842405634 680944776 /nfs/dbraw/zinc/94/47/76/680944776.db2.gz LYNCNDDGTUDUTK-UHFFFAOYSA-N -1 0 370.427 2.199 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000769278822 680976565 /nfs/dbraw/zinc/97/65/65/680976565.db2.gz LPWIOOJHRQFJSG-WDEREUQCSA-N -1 0 356.400 2.235 20 5 FEBDRM Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000843336926 680998760 /nfs/dbraw/zinc/99/87/60/680998760.db2.gz NRIQKIKJBQWGSX-UHFFFAOYSA-N -1 0 351.315 2.138 20 5 FEBDRM CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843767747 681017198 /nfs/dbraw/zinc/01/71/98/681017198.db2.gz MEODHPJACIBRKN-SNVBAGLBSA-N -1 0 371.777 2.305 20 5 FEBDRM CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770774334 681027205 /nfs/dbraw/zinc/02/72/05/681027205.db2.gz DBBKNTIOJNNGKG-UHFFFAOYSA-N -1 0 368.342 2.251 20 5 FEBDRM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000844660900 681072569 /nfs/dbraw/zinc/07/25/69/681072569.db2.gz PBVHQANUQPRFKR-ZDUSSCGKSA-N -1 0 360.388 2.077 20 5 FEBDRM CSCC1(CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000845445600 681128259 /nfs/dbraw/zinc/12/82/59/681128259.db2.gz BYVWUPKOGNMMSR-UHFFFAOYSA-N -1 0 358.441 2.241 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000845489113 681132292 /nfs/dbraw/zinc/13/22/92/681132292.db2.gz GDEWOIPCNYEMDO-XYPYZODXSA-N -1 0 356.400 2.235 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845528755 681135378 /nfs/dbraw/zinc/13/53/78/681135378.db2.gz GJAFHDUGEZBRFT-FRRDWIJNSA-N -1 0 350.396 2.310 20 5 FEBDRM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000773313256 681135753 /nfs/dbraw/zinc/13/57/53/681135753.db2.gz FUPCXYXCUAPAFS-MRVPVSSYSA-N -1 0 352.734 2.357 20 5 FEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@]2(C)C(C)C)c([N+](=O)[O-])c1 ZINC000773942095 681161128 /nfs/dbraw/zinc/16/11/28/681161128.db2.gz ADEFUQFWKKMHCB-IAQYHMDHSA-N -1 0 356.400 2.091 20 5 FEBDRM Cc1csc(CCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000774052536 681166375 /nfs/dbraw/zinc/16/63/75/681166375.db2.gz HZUWIOGVQCDKLL-UHFFFAOYSA-N -1 0 369.424 2.106 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)c1[N+](=O)[O-] ZINC000774069623 681166991 /nfs/dbraw/zinc/16/69/91/681166991.db2.gz RMJIKNSGXXBGBQ-UHFFFAOYSA-N -1 0 356.400 2.243 20 5 FEBDRM Cc1cc(Cl)c(S(=O)(=O)N(CC(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000846773353 681288069 /nfs/dbraw/zinc/28/80/69/681288069.db2.gz GMMOXOKOQNKTMI-UHFFFAOYSA-N -1 0 362.791 2.184 20 5 FEBDRM CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000775302925 681295607 /nfs/dbraw/zinc/29/56/07/681295607.db2.gz XVMJTERQJBVAJQ-UHFFFAOYSA-N -1 0 364.379 2.421 20 5 FEBDRM Cc1cc(F)cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000847078482 681329794 /nfs/dbraw/zinc/32/97/94/681329794.db2.gz JBGWDAMWABTYIO-VIFPVBQESA-N -1 0 350.306 2.151 20 5 FEBDRM Cc1ccc([C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000776500100 681396820 /nfs/dbraw/zinc/39/68/20/681396820.db2.gz LCSPQMIHXXQMEZ-GFCCVEGCSA-N -1 0 356.381 2.069 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)CCC(=O)[O-])c1 ZINC000776631706 681420051 /nfs/dbraw/zinc/42/00/51/681420051.db2.gz BJSDFRWSPXTFMB-QMMMGPOBSA-N -1 0 364.807 2.336 20 5 FEBDRM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000776635693 681420965 /nfs/dbraw/zinc/42/09/65/681420965.db2.gz RMUPFDCOENKHDQ-AAEUAGOBSA-N -1 0 362.791 2.170 20 5 FEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(C)C(=O)[O-] ZINC000776714001 681429636 /nfs/dbraw/zinc/42/96/36/681429636.db2.gz 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ZINC000600416325 673765974 /nfs/dbraw/zinc/76/59/74/673765974.db2.gz PSOJMXXTFHEDQS-CYBMUJFWSA-N -1 0 350.371 2.400 20 5 FEBDRM COc1ccc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)cc1[N+](=O)[O-] ZINC000600513001 673775372 /nfs/dbraw/zinc/77/53/72/673775372.db2.gz ADQFAWXMMWZPIN-UHFFFAOYSA-N -1 0 364.383 2.023 20 5 FEBDRM CNc1ccc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)cc1[N+](=O)[O-] ZINC000600513155 673775386 /nfs/dbraw/zinc/77/53/86/673775386.db2.gz DVPRJWOVKBTXOH-UHFFFAOYSA-N -1 0 363.399 2.056 20 5 FEBDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])cc2O1 ZINC000600654648 673786181 /nfs/dbraw/zinc/78/61/81/673786181.db2.gz CABHCPZZEIESJS-AWEZNQCLSA-N -1 0 368.371 2.027 20 5 FEBDRM CCSCc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000600653972 673786226 /nfs/dbraw/zinc/78/62/26/673786226.db2.gz ROEUVNUYFWGJRJ-UHFFFAOYSA-N -1 0 356.429 2.382 20 5 FEBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)n1 ZINC000600654847 673786597 /nfs/dbraw/zinc/78/65/97/673786597.db2.gz HJOUPCGIRKOKJX-UHFFFAOYSA-N -1 0 353.404 2.340 20 5 FEBDRM CCSc1cccc(F)c1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600668239 673789881 /nfs/dbraw/zinc/78/98/81/673789881.db2.gz JRLABAXEKAMCRS-UHFFFAOYSA-N -1 0 360.392 2.380 20 5 FEBDRM O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600877397 673805217 /nfs/dbraw/zinc/80/52/17/673805217.db2.gz SFYVUZBMBAKGAJ-CABZTGNLSA-N -1 0 356.762 2.248 20 5 FEBDRM C[C@@H](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000547917128 673904437 /nfs/dbraw/zinc/90/44/37/673904437.db2.gz TYWIRWLRFPLLOA-JSGCOSHPSA-N -1 0 370.427 2.247 20 5 FEBDRM CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000547932157 673906218 /nfs/dbraw/zinc/90/62/18/673906218.db2.gz YXIYQHKLOGUIOJ-MRVPVSSYSA-N -1 0 350.418 2.214 20 5 FEBDRM COc1cc(S(=O)(=O)NCCC(C)(C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000547936681 673907071 /nfs/dbraw/zinc/90/70/71/673907071.db2.gz LGVLAGRLXJVKGF-UHFFFAOYSA-N -1 0 374.415 2.163 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)cc1Cl ZINC000747132114 673908617 /nfs/dbraw/zinc/90/86/17/673908617.db2.gz XOFYQIZOCXQNRH-UHFFFAOYSA-N -1 0 357.775 2.014 20 5 FEBDRM Cc1cccc([C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])c1 ZINC000548207294 673934820 /nfs/dbraw/zinc/93/48/20/673934820.db2.gz IGNQESJQLSNGGD-CQSZACIVSA-N -1 0 368.342 2.147 20 5 FEBDRM Cc1cc(S(=O)(=O)N[C@@H](C)CCC[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000548261616 673944129 /nfs/dbraw/zinc/94/41/29/673944129.db2.gz GRCFYDCENHFPLW-PWSUYJOCSA-N -1 0 358.416 2.461 20 5 FEBDRM C[C@@](O)(C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1)C(F)(F)F ZINC000548466818 673960956 /nfs/dbraw/zinc/96/09/56/673960956.db2.gz BAGFDBCTWSAHTP-CQSZACIVSA-N -1 0 362.304 2.466 20 5 FEBDRM Cc1cccc([C@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000548534154 673967158 /nfs/dbraw/zinc/96/71/58/673967158.db2.gz JBPGZTSHJZQQSN-AWEZNQCLSA-N -1 0 364.379 2.316 20 5 FEBDRM CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000548579349 673975779 /nfs/dbraw/zinc/97/57/79/673975779.db2.gz QPFWGNIAKFOPDX-TVQRCGJNSA-N -1 0 358.416 2.331 20 5 FEBDRM O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000548592765 673977848 /nfs/dbraw/zinc/97/78/48/673977848.db2.gz MDCUUOAXERBEET-ZDUSSCGKSA-N -1 0 370.770 2.352 20 5 FEBDRM CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000567978001 675340436 /nfs/dbraw/zinc/34/04/36/675340436.db2.gz SXAQOFZRHIBGSJ-HUUCEWRRSA-N -1 0 350.371 2.049 20 5 FEBDRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000820287240 675349747 /nfs/dbraw/zinc/34/97/47/675349747.db2.gz WHDDBZCMOPOMLQ-WFASDCNBSA-N -1 0 354.428 2.410 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)/C=C(\C)C1CC1 ZINC000821603158 675442890 /nfs/dbraw/zinc/44/28/90/675442890.db2.gz MKRDMMRWPXNLIP-CSKARUKUSA-N -1 0 353.400 2.188 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)ccc1[O-] ZINC000603492977 675799863 /nfs/dbraw/zinc/79/98/63/675799863.db2.gz WEJKWBOWAJHYON-INIZCTEOSA-N -1 0 364.379 2.063 20 5 FEBDRM NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000603573369 675800155 /nfs/dbraw/zinc/80/01/55/675800155.db2.gz WPMSJKFBROTUKZ-UHFFFAOYSA-N -1 0 373.749 2.287 20 5 FEBDRM COCCN(Cc1cccs1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000604091733 675803731 /nfs/dbraw/zinc/80/37/31/675803731.db2.gz MRTQMPFBMICSLO-UHFFFAOYSA-N -1 0 372.424 2.199 20 5 FEBDRM O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)ccc1[O-] ZINC000604373593 675804344 /nfs/dbraw/zinc/80/43/44/675804344.db2.gz PDBSIMBVEHKNPJ-CYBMUJFWSA-N -1 0 352.343 2.405 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(OC)n1 ZINC000604471235 675805266 /nfs/dbraw/zinc/80/52/66/675805266.db2.gz MXGMYFLMQQPVRB-UHFFFAOYSA-N -1 0 353.356 2.116 20 5 FEBDRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(OC)n1 ZINC000604471185 675805365 /nfs/dbraw/zinc/80/53/65/675805365.db2.gz CVWLZYDRCFFUEC-UHFFFAOYSA-N -1 0 367.383 2.425 20 5 FEBDRM CS[C@H]1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000829535158 675882157 /nfs/dbraw/zinc/88/21/57/675882157.db2.gz YUZORCUGNAXVFX-UWVGGRQHSA-N -1 0 374.440 2.164 20 5 FEBDRM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616332594 676246390 /nfs/dbraw/zinc/24/63/90/676246390.db2.gz GFUSFYDLHHEGJW-LBPRGKRZSA-N -1 0 358.416 2.331 20 5 FEBDRM Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000617182517 676272997 /nfs/dbraw/zinc/27/29/97/676272997.db2.gz ICUNHFYKIRRIOB-CYBMUJFWSA-N -1 0 370.427 2.477 20 5 FEBDRM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619466340 676377994 /nfs/dbraw/zinc/37/79/94/676377994.db2.gz RBCXPSZTEQASEN-UHFFFAOYSA-N -1 0 368.367 2.421 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1O ZINC000619468064 676378343 /nfs/dbraw/zinc/37/83/43/676378343.db2.gz VGYPOCRELNFNSA-UHFFFAOYSA-N -1 0 366.351 2.312 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000619470724 676378594 /nfs/dbraw/zinc/37/85/94/676378594.db2.gz JETHRXPKGNANMR-SNVBAGLBSA-N -1 0 374.415 2.161 20 5 FEBDRM CO[C@H](C)[C@H](C)NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000830022195 677021976 /nfs/dbraw/zinc/02/19/76/677021976.db2.gz CKRIYOWWHUNAIL-DTWKUNHWSA-N -1 0 368.777 2.293 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2F)ccc1[N+](=O)[O-] ZINC000761430486 680723219 /nfs/dbraw/zinc/72/32/19/680723219.db2.gz ZELAVZTVHGTPHU-UHFFFAOYSA-N -1 0 368.342 2.170 20 5 FEBDRM C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000763003845 680768451 /nfs/dbraw/zinc/76/84/51/680768451.db2.gz DEUXELNZKRLFGA-WCBMZHEXSA-N -1 0 374.802 2.058 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000763927430 680795854 /nfs/dbraw/zinc/79/58/54/680795854.db2.gz IRGVVLMIYFNBOG-SNVBAGLBSA-N -1 0 352.343 2.343 20 5 FEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000764053321 680799068 /nfs/dbraw/zinc/79/90/68/680799068.db2.gz OHFVLJXACBJHIB-VIFPVBQESA-N -1 0 369.786 2.252 20 5 FEBDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000764687817 680818736 /nfs/dbraw/zinc/81/87/36/680818736.db2.gz KLIRQVXAAPCXDC-UHFFFAOYSA-N -1 0 361.445 2.023 20 5 FEBDRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748116891 679932406 /nfs/dbraw/zinc/93/24/06/679932406.db2.gz NIGOYYFNMRTOBZ-CLFYSBASSA-N -1 0 357.344 2.054 20 5 FEBDRM Cc1cccnc1C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000750678579 680126876 /nfs/dbraw/zinc/12/68/76/680126876.db2.gz MPRADOMJZWIPQU-UHFFFAOYSA-N -1 0 369.786 2.379 20 5 FEBDRM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000832415695 680131498 /nfs/dbraw/zinc/13/14/98/680131498.db2.gz UHAXORMGLNXBIO-UHFFFAOYSA-N -1 0 366.326 2.184 20 5 FEBDRM CCC1(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])COC1 ZINC000832487960 680139193 /nfs/dbraw/zinc/13/91/93/680139193.db2.gz DICTZGGOSCJTIC-UHFFFAOYSA-N -1 0 352.771 2.092 20 5 FEBDRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)s1 ZINC000751177598 680158156 /nfs/dbraw/zinc/15/81/56/680158156.db2.gz GMEPSBOCOHITHB-UHFFFAOYSA-N -1 0 369.424 2.188 20 5 FEBDRM CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000835035204 680288701 /nfs/dbraw/zinc/28/87/01/680288701.db2.gz IEWDWKLWJBOBDA-PWSUYJOCSA-N -1 0 356.400 2.235 20 5 FEBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000835748814 680377878 /nfs/dbraw/zinc/37/78/78/680377878.db2.gz XCUDVEPPJJVJOU-UHIISALHSA-N -1 0 370.452 2.322 20 5 FEBDRM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1O ZINC000754829182 680383021 /nfs/dbraw/zinc/38/30/21/680383021.db2.gz YVRGSBQDMQEQEN-UHFFFAOYSA-N -1 0 353.312 2.318 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000755739730 680432079 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ZINC000160001749 326950168 /nfs/dbraw/zinc/95/01/68/326950168.db2.gz IHQGESSWDRQMRE-UHFFFAOYSA-N -1 0 352.350 2.475 20 5 FEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cn(-c2ccccc2)nn1 ZINC000163395747 327050565 /nfs/dbraw/zinc/05/05/65/327050565.db2.gz GDUAJMBKOWHSEV-NSHDSACASA-N -1 0 353.338 2.372 20 5 FEBDRM O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164231103 327066955 /nfs/dbraw/zinc/06/69/55/327066955.db2.gz HXHHOXNHSYNNGH-UHFFFAOYSA-N -1 0 352.350 2.475 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000172315956 327195056 /nfs/dbraw/zinc/19/50/56/327195056.db2.gz RREMLGLEQSFEDD-UHFFFAOYSA-N -1 0 355.397 2.233 20 5 FEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(N)=O ZINC000174761028 327349038 /nfs/dbraw/zinc/34/90/38/327349038.db2.gz BUSMOMCJFXMCES-UHFFFAOYSA-N -1 0 369.786 2.456 20 5 FEBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262116462 328843468 /nfs/dbraw/zinc/84/34/68/328843468.db2.gz BNRXLRZDMUGVJB-DLOVCJGASA-N -1 0 372.374 2.140 20 5 FEBDRM O=C([O-])C1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000262363246 328861342 /nfs/dbraw/zinc/86/13/42/328861342.db2.gz DAZUCYMTUSACMH-UHFFFAOYSA-N -1 0 362.791 2.170 20 5 FEBDRM Cc1nc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000262537698 328871624 /nfs/dbraw/zinc/87/16/24/328871624.db2.gz KILRDHXJKDPGIV-VIFPVBQESA-N -1 0 365.367 2.314 20 5 FEBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000262549223 328872384 /nfs/dbraw/zinc/87/23/84/328872384.db2.gz WQZQIPVMSPMMFI-NSHDSACASA-N -1 0 368.411 2.216 20 5 FEBDRM CCO[C@@H]1C[C@](NC(=O)c2cc([N+](=O)[O-])ccc2C)(C(=O)[O-])C1(C)C ZINC000262802592 328890723 /nfs/dbraw/zinc/89/07/23/328890723.db2.gz MVGIGLJPFBWMIS-DYVFJYSZSA-N -1 0 350.371 2.291 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000263042943 328910628 /nfs/dbraw/zinc/91/06/28/328910628.db2.gz ROWZROKOWVVKLS-MNOVXSKESA-N -1 0 366.370 2.185 20 5 FEBDRM C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C(=O)[O-])C1 ZINC000263092105 328914943 /nfs/dbraw/zinc/91/49/43/328914943.db2.gz SUKGSQIUYSOSLC-NHYWBVRUSA-N -1 0 358.354 2.106 20 5 FEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000263121217 328917193 /nfs/dbraw/zinc/91/71/93/328917193.db2.gz XBXPGERXFWAJOZ-RLCCDNCMSA-N -1 0 370.365 2.106 20 5 FEBDRM Cc1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000263120841 328917301 /nfs/dbraw/zinc/91/73/01/328917301.db2.gz FEMHCMLJIIQOEN-NWDGAFQWSA-N -1 0 356.400 2.085 20 5 FEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263152899 328920536 /nfs/dbraw/zinc/92/05/36/328920536.db2.gz MGCNDHKBWCLPQK-BLLLJJGKSA-N -1 0 368.411 2.087 20 5 FEBDRM C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C(=O)[O-])C1 ZINC000263316116 328932558 /nfs/dbraw/zinc/93/25/58/328932558.db2.gz HRURAFZWPPZKRO-IAQYHMDHSA-N -1 0 358.354 2.106 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263451489 328940561 /nfs/dbraw/zinc/94/05/61/328940561.db2.gz AQUJQOIIRVJMMO-BLLLJJGKSA-N -1 0 368.411 2.087 20 5 FEBDRM COc1ccccc1N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269102051 329485825 /nfs/dbraw/zinc/48/58/25/329485825.db2.gz ACCFDZDKMUOXBT-UHFFFAOYSA-N -1 0 357.366 2.271 20 5 FEBDRM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])CS2 ZINC000272227295 329761807 /nfs/dbraw/zinc/76/18/07/329761807.db2.gz LLHXAYRPGBKLOW-IINYFYTJSA-N -1 0 371.802 2.346 20 5 FEBDRM O=C(NCc1ccccc1CN1CCCC1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272548284 329790273 /nfs/dbraw/zinc/79/02/73/329790273.db2.gz KNLMXPNRVZDVQT-UHFFFAOYSA-N -1 0 369.377 2.353 20 5 FEBDRM C[C@@H]1CCC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275076916 330007933 /nfs/dbraw/zinc/00/79/33/330007933.db2.gz HWXKQHKGGIVPEL-KCJUWKMLSA-N -1 0 362.791 2.265 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)(C)C ZINC000275087893 330009080 /nfs/dbraw/zinc/00/90/80/330009080.db2.gz ZXPQRCGGMXWYNI-SNVBAGLBSA-N -1 0 374.415 2.161 20 5 FEBDRM C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000275090287 330009399 /nfs/dbraw/zinc/00/93/99/330009399.db2.gz KAOPLOIYBVTVSY-GZMMTYOYSA-N -1 0 362.791 2.122 20 5 FEBDRM COc1ccccc1[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1 ZINC000367093630 330216066 /nfs/dbraw/zinc/21/60/66/330216066.db2.gz UORNWGYBTVZVBX-AWEZNQCLSA-N -1 0 357.366 2.096 20 5 FEBDRM COc1ccccc1N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000155568470 545543659 /nfs/dbraw/zinc/54/36/59/545543659.db2.gz AIWUBOXRBMDBJF-ZDUSSCGKSA-N -1 0 357.366 2.318 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000477516902 561146887 /nfs/dbraw/zinc/14/68/87/561146887.db2.gz OEYCXDGBYADGCK-UHFFFAOYSA-N -1 0 351.384 2.470 20 5 FEBDRM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1nncs1 ZINC000160570287 546052558 /nfs/dbraw/zinc/05/25/58/546052558.db2.gz HMAFVISVCYTUGN-UHFFFAOYSA-N -1 0 365.190 2.010 20 5 FEBDRM COCC1(C(=O)[O-])CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000478920112 561178219 /nfs/dbraw/zinc/17/82/19/561178219.db2.gz FFWNKZPSKJJNAJ-UHFFFAOYSA-N -1 0 361.354 2.030 20 5 FEBDRM CCC[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nnn[n-]1 ZINC000176778125 546487265 /nfs/dbraw/zinc/48/72/65/546487265.db2.gz KJMPTKGOADZAQO-CABZTGNLSA-N -1 0 350.404 2.246 20 5 FEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cc1C ZINC000481029444 561223278 /nfs/dbraw/zinc/22/32/78/561223278.db2.gz YQHJHTJKNUIRJI-UHFFFAOYSA-N -1 0 350.400 2.473 20 5 FEBDRM O=c1[nH]cc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000180068941 547046054 /nfs/dbraw/zinc/04/60/54/547046054.db2.gz XJVDRVCJVLMBPG-UHFFFAOYSA-N -1 0 369.302 2.164 20 5 FEBDRM O=C([O-])c1cc(NS(=O)(=O)CCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000485209326 561314918 /nfs/dbraw/zinc/31/49/18/561314918.db2.gz PHIFNBXEJTXKSE-UHFFFAOYSA-N -1 0 350.352 2.277 20 5 FEBDRM Cc1cc(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000486321997 561344200 /nfs/dbraw/zinc/34/42/00/561344200.db2.gz UEDALOQPRGUKJA-UHFFFAOYSA-N -1 0 358.350 2.339 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000486577124 561351371 /nfs/dbraw/zinc/35/13/71/561351371.db2.gz RZBBZHDPQUKHOH-UHFFFAOYSA-N -1 0 366.330 2.420 20 5 FEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000486744667 561355612 /nfs/dbraw/zinc/35/56/12/561355612.db2.gz FNHINSCBSXQZBD-SSDOTTSWSA-N -1 0 367.159 2.344 20 5 FEBDRM COc1ccc(O)c([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488299438 561387682 /nfs/dbraw/zinc/38/76/82/561387682.db2.gz NMRNPYYSSKDIKA-UHFFFAOYSA-N -1 0 372.330 2.258 20 5 FEBDRM O=C(NC[C@@H](CO)c1ccccc1Cl)c1cccc([O-])c1[N+](=O)[O-] ZINC000489722677 561417882 /nfs/dbraw/zinc/41/78/82/561417882.db2.gz RGJROVUKBJLWAV-JTQLQIEISA-N -1 0 350.758 2.460 20 5 FEBDRM COCCOc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC ZINC000254449177 549700109 /nfs/dbraw/zinc/70/01/09/549700109.db2.gz NHDUOFVZQXAHKT-HYXAFXHYSA-N -1 0 363.326 2.000 20 5 FEBDRM CC(C)C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000261733617 549748870 /nfs/dbraw/zinc/74/88/70/549748870.db2.gz SUGLUGZWJBGPAV-VIFPVBQESA-N -1 0 350.780 2.026 20 5 FEBDRM COc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261808670 549757710 /nfs/dbraw/zinc/75/77/10/549757710.db2.gz MLESQZUUNAFCDA-QMMMGPOBSA-N -1 0 374.296 2.142 20 5 FEBDRM O=C([O-])[C@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCSC1 ZINC000262261968 549803625 /nfs/dbraw/zinc/80/36/25/549803625.db2.gz YYBTYKJWEZGAGT-AWEZNQCLSA-N -1 0 352.393 2.500 20 5 FEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1OC ZINC000262466824 549822368 /nfs/dbraw/zinc/82/23/68/549822368.db2.gz JALVTTMPEBRYQK-LLVKDONJSA-N -1 0 368.386 2.479 20 5 FEBDRM CCOc1ccc(C(=O)N2CCSC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000262493290 549824013 /nfs/dbraw/zinc/82/40/13/549824013.db2.gz GPOSRCLUGRRMDS-LLVKDONJSA-N -1 0 354.384 2.026 20 5 FEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000262852052 549856147 /nfs/dbraw/zinc/85/61/47/549856147.db2.gz BXDQQWAFHJXPNU-SKDRFNHKSA-N -1 0 354.384 2.021 20 5 FEBDRM C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC000262867642 549857121 /nfs/dbraw/zinc/85/71/21/549857121.db2.gz FGAGYCZJVJSQHT-KCJUWKMLSA-N -1 0 374.802 2.041 20 5 FEBDRM COc1ccc(CSCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000262959081 549866015 /nfs/dbraw/zinc/86/60/15/549866015.db2.gz HUWFZEGZCWLNAM-CMPLNLGQSA-N -1 0 368.411 2.158 20 5 FEBDRM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000263009180 549870778 /nfs/dbraw/zinc/87/07/78/549870778.db2.gz WZZSPTROZIVSBJ-KRWDZBQOSA-N -1 0 361.354 2.030 20 5 FEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000263119558 549878982 /nfs/dbraw/zinc/87/89/82/549878982.db2.gz FCBFLXIQTIGCSH-AAEUAGOBSA-N -1 0 358.354 2.106 20 5 FEBDRM Cc1cc(S(=O)(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000263347411 549896246 /nfs/dbraw/zinc/89/62/46/549896246.db2.gz UOCJUKNNGXLANV-LBPRGKRZSA-N -1 0 358.416 2.237 20 5 FEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000263350872 549897122 /nfs/dbraw/zinc/89/71/22/549897122.db2.gz POKZHDZUHARUCX-GOSISDBHSA-N -1 0 372.381 2.353 20 5 FEBDRM CCCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000268414132 550061672 /nfs/dbraw/zinc/06/16/72/550061672.db2.gz JQSXIYIHIDIIFQ-UHFFFAOYSA-N -1 0 358.401 2.208 20 5 FEBDRM CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000269135146 550158841 /nfs/dbraw/zinc/15/88/41/550158841.db2.gz MJPZYHOYKWSMHB-LLVKDONJSA-N -1 0 365.386 2.287 20 5 FEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000269358713 550184859 /nfs/dbraw/zinc/18/48/59/550184859.db2.gz TWXCWTQXDRXGTQ-LLVKDONJSA-N -1 0 365.386 2.382 20 5 FEBDRM COC(=O)c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000493985754 561460469 /nfs/dbraw/zinc/46/04/69/561460469.db2.gz OUQAHQKHLDTBOJ-UHFFFAOYSA-N -1 0 368.367 2.070 20 5 FEBDRM CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC12CCCCC2 ZINC000270912151 550320412 /nfs/dbraw/zinc/32/04/12/550320412.db2.gz SXZWETDFWSLHGP-UHFFFAOYSA-N -1 0 361.398 2.308 20 5 FEBDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000494104712 561462623 /nfs/dbraw/zinc/46/26/23/561462623.db2.gz FOZZHTCZAQRLMJ-UHFFFAOYSA-N -1 0 357.417 2.155 20 5 FEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(C)(C)C ZINC000274975159 550568721 /nfs/dbraw/zinc/56/87/21/550568721.db2.gz KXNMYPCRZWNBGJ-JTQLQIEISA-N -1 0 374.415 2.019 20 5 FEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc([C@H]3CCCO3)o2)c1[N+](=O)[O-] ZINC000278444539 550786884 /nfs/dbraw/zinc/78/68/84/550786884.db2.gz WPAVNBVACMQAAX-SNVBAGLBSA-N -1 0 368.371 2.247 20 5 FEBDRM CC1(C)CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCS1 ZINC000278765768 550819411 /nfs/dbraw/zinc/81/94/11/550819411.db2.gz SFSFMWQMCUWCBD-UHFFFAOYSA-N -1 0 374.440 2.199 20 5 FEBDRM C[C@@H](c1cccnc1)N1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000280871208 551041097 /nfs/dbraw/zinc/04/10/97/551041097.db2.gz XWXYPZBZSDMKTC-ZDUSSCGKSA-N -1 0 356.382 2.214 20 5 FEBDRM O=C(C[C@H]1COCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccco1 ZINC000281379165 551090132 /nfs/dbraw/zinc/09/01/32/551090132.db2.gz XCPNCAVMJVLYLI-NSHDSACASA-N -1 0 360.322 2.007 20 5 FEBDRM O=C([N-]CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000281646010 551125342 /nfs/dbraw/zinc/12/53/42/551125342.db2.gz HSXYVMDXQMEUTI-UHFFFAOYSA-N -1 0 365.333 2.187 20 5 FEBDRM CCO[C@@H]1C[C@@](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC000281763724 551140373 /nfs/dbraw/zinc/14/03/73/551140373.db2.gz XCTRXZKXSHGKCB-YTOTVDJJSA-N -1 0 362.382 2.383 20 5 FEBDRM O=c1nc([C@H]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)[nH][n-]1 ZINC000285600027 551781370 /nfs/dbraw/zinc/78/13/70/551781370.db2.gz LQGQWBMCYJKAAP-QMMMGPOBSA-N -1 0 368.191 2.153 20 5 FEBDRM CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285899000 551825162 /nfs/dbraw/zinc/82/51/62/551825162.db2.gz HLIYKOXVKWRDKW-GFCCVEGCSA-N -1 0 351.359 2.041 20 5 FEBDRM CC(C)OCc1nc([C@@H](C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])no1 ZINC000292059407 552689422 /nfs/dbraw/zinc/68/94/22/552689422.db2.gz UHOJQVQMKPJOLZ-SECBINFHSA-N -1 0 350.331 2.099 20 5 FEBDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000292631366 552744616 /nfs/dbraw/zinc/74/46/16/552744616.db2.gz VSTRRRYLXOVMDN-HTQZYQBOSA-N -1 0 365.333 2.328 20 5 FEBDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293646870 552843704 /nfs/dbraw/zinc/84/37/04/552843704.db2.gz GODVJLFCEHDWJQ-BXKDBHETSA-N -1 0 359.304 2.266 20 5 FEBDRM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000295721295 553050060 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366.351 2.196 20 5 FEBDRM COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000436674727 559948562 /nfs/dbraw/zinc/94/85/62/559948562.db2.gz WTZLQWLTELWECA-UHFFFAOYSA-N -1 0 360.322 2.413 20 5 FEBDRM O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436686461 559948736 /nfs/dbraw/zinc/94/87/36/559948736.db2.gz HKNCUMGAJBIEJW-CQSZACIVSA-N -1 0 370.365 2.337 20 5 FEBDRM COC(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000436709029 559949509 /nfs/dbraw/zinc/94/95/09/559949509.db2.gz WXVVADDYAIVEJG-UHFFFAOYSA-N -1 0 374.349 2.068 20 5 FEBDRM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436714313 559949857 /nfs/dbraw/zinc/94/98/57/559949857.db2.gz HVLWFDSQVVXFCY-IUODEOHRSA-N -1 0 372.377 2.451 20 5 FEBDRM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961087 559957460 /nfs/dbraw/zinc/95/74/60/559957460.db2.gz ADRAWZAHCFGFMD-OAHLLOKOSA-N -1 0 356.334 2.041 20 5 FEBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1S(C)(=O)=O ZINC000436957959 559957578 /nfs/dbraw/zinc/95/75/78/559957578.db2.gz YSZARSMIQBXMNJ-UHFFFAOYSA-N -1 0 350.352 2.265 20 5 FEBDRM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436965925 559957728 /nfs/dbraw/zinc/95/77/28/559957728.db2.gz USRNOWHSUJKINQ-UHFFFAOYSA-N -1 0 359.338 2.263 20 5 FEBDRM CCOC(=O)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436971696 559957982 /nfs/dbraw/zinc/95/79/82/559957982.db2.gz PSDJINUJUFOGOF-AWEZNQCLSA-N -1 0 358.350 2.377 20 5 FEBDRM O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436999837 559959238 /nfs/dbraw/zinc/95/92/38/559959238.db2.gz RYPKHWBKDCCJGY-UKRRQHHQSA-N -1 0 366.320 2.268 20 5 FEBDRM NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000438779400 559983557 /nfs/dbraw/zinc/98/35/57/559983557.db2.gz OLYZQWSDKBLBIM-UHFFFAOYSA-N -1 0 373.749 2.287 20 5 FEBDRM CCn1cnc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000439565442 559996968 /nfs/dbraw/zinc/99/69/68/559996968.db2.gz CSMJICKGGSGFTE-UHFFFAOYSA-N -1 0 362.314 2.213 20 5 FEBDRM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1C ZINC000439567942 559997155 /nfs/dbraw/zinc/99/71/55/559997155.db2.gz HVRZOUBWRJFQTF-UHFFFAOYSA-N -1 0 367.383 2.219 20 5 FEBDRM CC(C)(C(=O)[O-])n1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cn1 ZINC000439692035 559998830 /nfs/dbraw/zinc/99/88/30/559998830.db2.gz IHHGFCVKABMNBU-UHFFFAOYSA-N -1 0 371.353 2.204 20 5 FEBDRM C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000442894859 560061080 /nfs/dbraw/zinc/06/10/80/560061080.db2.gz VVPRGIZNXATOGV-GFCCVEGCSA-N -1 0 357.366 2.376 20 5 FEBDRM Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000443026387 560066724 /nfs/dbraw/zinc/06/67/24/560066724.db2.gz ARHHEHONGNWYNJ-UHFFFAOYSA-N -1 0 356.338 2.391 20 5 FEBDRM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000443390908 560082832 /nfs/dbraw/zinc/08/28/32/560082832.db2.gz UCYLFAOLOPWNNH-JTQLQIEISA-N -1 0 354.359 2.349 20 5 FEBDRM Cn1ccc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cccc2c1=O ZINC000443526413 560086308 /nfs/dbraw/zinc/08/63/08/560086308.db2.gz DPQHPQCLDNIQDW-UHFFFAOYSA-N -1 0 359.363 2.248 20 5 FEBDRM CCn1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])n1 ZINC000445699437 560133890 /nfs/dbraw/zinc/13/38/90/560133890.db2.gz KKMKSFWIFSDGTO-QMMMGPOBSA-N -1 0 358.342 2.067 20 5 FEBDRM O=C(CSc1n[nH]c(=O)[n-]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446051727 560138755 /nfs/dbraw/zinc/13/87/55/560138755.db2.gz GTYMEJYXERMHCD-UHFFFAOYSA-N -1 0 363.277 2.168 20 5 FEBDRM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000446432270 560145899 /nfs/dbraw/zinc/14/58/99/560145899.db2.gz VFYXLBSOXIGFPY-QGZVFWFLSA-N -1 0 350.371 2.352 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccsc3)o2)cc1 ZINC000446955507 560154123 /nfs/dbraw/zinc/15/41/23/560154123.db2.gz BMGXAQJCLZJJIP-UHFFFAOYSA-N -1 0 366.380 2.431 20 5 FEBDRM CO[C@@H](C)c1nc(=NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000451491053 560310272 /nfs/dbraw/zinc/31/02/72/560310272.db2.gz HAFSIZIOFWADBE-VIFPVBQESA-N -1 0 364.383 2.177 20 5 FEBDRM C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455918104 560500182 /nfs/dbraw/zinc/50/01/82/560500182.db2.gz DMGKXOBAMFLJQE-UKRRQHHQSA-N -1 0 371.393 2.455 20 5 FEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456658461 560527651 /nfs/dbraw/zinc/52/76/51/560527651.db2.gz RLJYRGXCTOGZIU-NWDGAFQWSA-N -1 0 369.377 2.397 20 5 FEBDRM C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000456729304 560531031 /nfs/dbraw/zinc/53/10/31/560531031.db2.gz JOHVEIPZUFCGTC-SNVBAGLBSA-N -1 0 361.320 2.257 20 5 FEBDRM CCOc1cccc(CN(CCO)C(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000456957554 560540375 /nfs/dbraw/zinc/54/03/75/560540375.db2.gz CMKIQTFVMOQVIY-UHFFFAOYSA-N -1 0 360.366 2.334 20 5 FEBDRM CCOc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1OCC ZINC000461107714 560761546 /nfs/dbraw/zinc/76/15/46/560761546.db2.gz NDESSVNTLMDSJC-UHFFFAOYSA-N -1 0 367.383 2.010 20 5 FEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccncc2[N+](=O)[O-])cc1Br ZINC000461116627 560761915 /nfs/dbraw/zinc/76/19/15/560761915.db2.gz YVDSLHQMFZPYRA-UHFFFAOYSA-N -1 0 372.200 2.283 20 5 FEBDRM COC(=O)c1coc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000463439932 560814574 /nfs/dbraw/zinc/81/45/74/560814574.db2.gz CCPRNWGYINHQGE-UHFFFAOYSA-N -1 0 354.340 2.392 20 5 FEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)c([N+](=O)[O-])c1 ZINC000464848162 560853272 /nfs/dbraw/zinc/85/32/72/560853272.db2.gz WHWDGAOSWHRPRH-UHFFFAOYSA-N -1 0 366.351 2.196 20 5 FEBDRM Cc1cccc(C[C@@H](CO)N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000466393210 560885709 /nfs/dbraw/zinc/88/57/09/560885709.db2.gz SBDCWBKICNTXIA-HNNXBMFYSA-N -1 0 354.366 2.969 20 5 FEBDRM Cc1ccccc1C[C@H](CO)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000466448835 560887127 /nfs/dbraw/zinc/88/71/27/560887127.db2.gz NEJXVYSXBWFJKW-OAHLLOKOSA-N -1 0 354.366 2.969 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000466541087 560889271 /nfs/dbraw/zinc/88/92/71/560889271.db2.gz QLNJQOLGRWQZIA-GFCCVEGCSA-N -1 0 352.343 2.454 20 5 FEBDRM C[C@]1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000466581878 560890521 /nfs/dbraw/zinc/89/05/21/560890521.db2.gz RGQHLFYCYPGJDR-HUUCEWRRSA-N -1 0 358.391 2.217 20 5 FEBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000466967701 560900586 /nfs/dbraw/zinc/90/05/86/560900586.db2.gz QEQBEEPREUYGAM-UHFFFAOYSA-N -1 0 369.424 2.467 20 5 FEBDRM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1C ZINC000467329102 560908745 /nfs/dbraw/zinc/90/87/45/560908745.db2.gz GOSCMCSOISLOFB-UHFFFAOYSA-N -1 0 367.383 2.219 20 5 FEBDRM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000467762317 560916765 /nfs/dbraw/zinc/91/67/65/560916765.db2.gz AEFAPPWQULBNEU-UHFFFAOYSA-N -1 0 360.392 2.187 20 5 FEBDRM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000468355741 560927824 /nfs/dbraw/zinc/92/78/24/560927824.db2.gz IHNWRFRFQNPDPD-UHFFFAOYSA-N -1 0 370.314 2.027 20 5 FEBDRM COc1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)ccc1[N+](=O)[O-] ZINC000468954171 560943277 /nfs/dbraw/zinc/94/32/77/560943277.db2.gz LENHJTSEHHBUDT-UHFFFAOYSA-N -1 0 365.367 2.363 20 5 FEBDRM CN(C)C(=O)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000475602002 561100698 /nfs/dbraw/zinc/10/06/98/561100698.db2.gz OVEUZTZIKJXWCD-MRXNPFEDSA-N -1 0 357.366 2.250 20 5 FEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000533169164 562500238 /nfs/dbraw/zinc/50/02/38/562500238.db2.gz CHVNDEFXLQBRTM-UHFFFAOYSA-N -1 0 358.763 2.035 20 5 FEBDRM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000534980500 562546802 /nfs/dbraw/zinc/54/68/02/562546802.db2.gz UABVWTMTDXBGSM-MRVPVSSYSA-N -1 0 357.367 2.015 20 5 FEBDRM NC(=O)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000535516748 562560274 /nfs/dbraw/zinc/56/02/74/562560274.db2.gz QPXSGJPQZUIMSW-SNVBAGLBSA-N -1 0 350.356 2.100 20 5 FEBDRM NC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000535516746 562560369 /nfs/dbraw/zinc/56/03/69/562560369.db2.gz QPXSGJPQZUIMSW-JTQLQIEISA-N -1 0 350.356 2.100 20 5 FEBDRM CC(=O)Nc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000540963173 562598585 /nfs/dbraw/zinc/59/85/85/562598585.db2.gz VSGPGNSEBYZDAU-UHFFFAOYSA-N -1 0 359.338 2.068 20 5 FEBDRM CC(=O)Nc1cccnc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000541585617 562615822 /nfs/dbraw/zinc/61/58/22/562615822.db2.gz DTZJNECQRBOKQD-UHFFFAOYSA-N -1 0 370.774 2.402 20 5 FEBDRM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000549767805 562639443 /nfs/dbraw/zinc/63/94/43/562639443.db2.gz HAOJJDQCIGFKQJ-MRVPVSSYSA-N -1 0 351.750 2.092 20 5 FEBDRM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000568304199 568001732 /nfs/dbraw/zinc/00/17/32/568001732.db2.gz CYMJXGYWQWWYPI-ZETCQYMHSA-N -1 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Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000548251273 673943020 /nfs/dbraw/zinc/94/30/20/673943020.db2.gz MGCNDHKBWCLPQK-WBMJQRKESA-N -1 0 368.411 2.087 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1C ZINC000548355422 673952628 /nfs/dbraw/zinc/95/26/28/673952628.db2.gz WPBXJKJFDMYGOR-OBJOEFQTSA-N -1 0 368.411 2.085 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1C ZINC000548543854 673968719 /nfs/dbraw/zinc/96/87/19/673968719.db2.gz GFGNOVMMCDHXRB-LLVKDONJSA-N -1 0 358.416 2.379 20 5 FEBDRM Cc1ccc(S(=O)(=O)N[C@@H](CC2CCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548544758 673969088 /nfs/dbraw/zinc/96/90/88/673969088.db2.gz WUKSJRJXAPAYKT-ZDUSSCGKSA-N -1 0 356.400 2.215 20 5 FEBDRM C[C@H](CCC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000548588344 673976767 /nfs/dbraw/zinc/97/67/67/673976767.db2.gz LZEBDRXGLDFGDX-BDAKNGLRSA-N -1 0 350.418 2.214 20 5 FEBDRM C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000818331702 675215027 /nfs/dbraw/zinc/21/50/27/675215027.db2.gz XQLQEOIXWSBHEF-XPTSAGLGSA-N -1 0 355.778 2.372 20 5 FEBDRM C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000818430297 675218898 /nfs/dbraw/zinc/21/88/98/675218898.db2.gz HKJGHKXBFKYMHU-QPUJVOFHSA-N -1 0 362.791 2.122 20 5 FEBDRM C[C@](O)(C1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000567977930 675340327 /nfs/dbraw/zinc/34/03/27/675340327.db2.gz QVHPPSAWHGKZQN-ZDUSSCGKSA-N -1 0 363.292 2.218 20 5 FEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnsn2)cc1Br ZINC000820798958 675389779 /nfs/dbraw/zinc/38/97/79/675389779.db2.gz RKPQVBSHWHHESU-UHFFFAOYSA-N -1 0 365.190 2.010 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccoc1Cl ZINC000821603311 675442821 /nfs/dbraw/zinc/44/28/21/675442821.db2.gz RQXYDRXLFZWYJT-UHFFFAOYSA-N -1 0 373.774 2.392 20 5 FEBDRM O=C([O-])C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000604023638 675802995 /nfs/dbraw/zinc/80/29/95/675802995.db2.gz PBCBHUDALKIOKQ-JTQLQIEISA-N -1 0 374.371 2.290 20 5 FEBDRM CCOc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466667 676378162 /nfs/dbraw/zinc/37/81/62/676378162.db2.gz INAHCWWXMDMGJV-UHFFFAOYSA-N -1 0 353.356 2.198 20 5 FEBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000619468125 676378407 /nfs/dbraw/zinc/37/84/07/676378407.db2.gz YLTCDXIPGCPPHX-UHFFFAOYSA-N -1 0 366.351 2.441 20 5 FEBDRM O=C([N-]S(=O)(=O)C1CCC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000838871771 680723548 /nfs/dbraw/zinc/72/35/48/680723548.db2.gz WFIPGGVJRQNZOF-UHFFFAOYSA-N -1 0 361.379 2.269 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C)C1 ZINC000838936377 680728136 /nfs/dbraw/zinc/72/81/36/680728136.db2.gz OWZSLELYOCVXAG-QWRGUYRKSA-N -1 0 355.416 2.268 20 5 FEBDRM CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000838937449 680728410 /nfs/dbraw/zinc/72/84/10/680728410.db2.gz 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COc1cc(S(=O)(=O)[N-]c2ccc(C)nc2N(C)C)ccc1[N+](=O)[O-] ZINC000749754774 680072698 /nfs/dbraw/zinc/07/26/98/680072698.db2.gz UXFNFBBHMISWSO-UHFFFAOYSA-N -1 0 366.399 2.174 20 5 FEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cccc(Cl)c1 ZINC000750757014 680131545 /nfs/dbraw/zinc/13/15/45/680131545.db2.gz ZQWMLENAWYIIRC-SECBINFHSA-N -1 0 369.786 2.252 20 5 FEBDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000750762877 680132023 /nfs/dbraw/zinc/13/20/23/680132023.db2.gz ZIVHDACRWDQWCO-LLVKDONJSA-N -1 0 355.416 2.401 20 5 FEBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000834186026 680206196 /nfs/dbraw/zinc/20/61/96/680206196.db2.gz IVBSKHJVEUJUFP-DUFXMDAXSA-N -1 0 351.334 2.242 20 5 FEBDRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC(=O)CC1 ZINC000835028575 680287273 /nfs/dbraw/zinc/28/72/73/680287273.db2.gz MNNVXJXUWHYZIF-UHFFFAOYSA-N -1 0 374.802 2.203 20 5 FEBDRM 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354.359 2.141 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)c1[N+](=O)[O-] ZINC000774031901 681165658 /nfs/dbraw/zinc/16/56/58/681165658.db2.gz WKFRFJOFXRUCRK-UHFFFAOYSA-N -1 0 356.381 2.092 20 5 FEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000774037206 681165940 /nfs/dbraw/zinc/16/59/40/681165940.db2.gz KWFPGFCUTLQEEV-UHFFFAOYSA-N -1 0 372.305 2.000 20 5 FEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000775007581 681267385 /nfs/dbraw/zinc/26/73/85/681267385.db2.gz QUPUSFYVWNZMQC-UHFFFAOYSA-N -1 0 356.306 2.300 20 5 FEBDRM O=C(c1cccc(Cl)c1[O-])N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000775656394 681322062 /nfs/dbraw/zinc/32/20/62/681322062.db2.gz SMBFWNWZWMEADV-UHFFFAOYSA-N -1 0 362.773 2.311 20 5 FEBDRM Cc1nn(C(C)C)cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000847629132 681407870 /nfs/dbraw/zinc/40/78/70/681407870.db2.gz UEOCBOMIUHNUFO-UHFFFAOYSA-N -1 0 366.399 2.108 20 5 FEBDRM 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